# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/31c3c7a6-a51b-4bb4-bb1e-98df7d40dadc/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for P2Ir / P2_1/c (14) / materials id 10155](https://mdr.nims.go.jp/datasets/041511e5-0129-4a51-a60f-a072c55d1c9d) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 23:38:03]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)Number of symmetry operations in supercell: 48------------------------------ primitive cell ------------------------------Lattice vectors: a 5.736143750018226 0.000000000000000 0.000000000000000 b 0.000000000000000 5.787623850000001 0.000000000000000 c -2.142015579900666 0.000000000000000 5.442550720301625Atomic positions (fractional): *1 P 0.15793102699345 0.88013095197326 0.87245859263032 30.974 2 P 0.84206897300655 0.38013095197326 0.62754140736968 30.974 3 P 0.84206897300655 0.11986904802674 0.12754140736968 30.974 4 P 0.15793102699345 0.61986904802674 0.37245859263032 30.974 *5 P 0.33413739776043 0.37577149932464 0.19009141610492 30.974 6 P 0.66586260223956 0.87577149932464 0.30990858389508 30.974 7 P 0.66586260223956 0.62422850067536 0.80990858389508 30.974 8 P 0.33413739776043 0.12422850067536 0.69009141610492 30.974 *9 Ir 0.27159008001625 0.49970654115289 0.79286593567656 192.217 10 Ir 0.72840991998375 0.99970654115289 0.70713406432344 192.217 11 Ir 0.72840991998375 0.50029345884711 0.20713406432344 192.217 12 Ir 0.27159008001625 0.00029345884711 0.29286593567656 192.217-------------------------------- unit cell ---------------------------------Lattice vectors: a 5.736143750018226 0.000000000000000 0.000000000000000 b 0.000000000000000 5.787623850000001 0.000000000000000 c -2.142015579900666 0.000000000000000 5.442550720301625Atomic positions (fractional): *1 P 0.15793102699345 0.88013095197326 0.87245859263032 30.974 > 1 2 P 0.84206897300655 0.38013095197326 0.62754140736968 30.974 > 2 3 P 0.84206897300655 0.11986904802674 0.12754140736968 30.974 > 3 4 P 0.15793102699345 0.61986904802674 0.37245859263032 30.974 > 4 *5 P 0.33413739776043 0.37577149932464 0.19009141610492 30.974 > 5 6 P 0.66586260223956 0.87577149932464 0.30990858389508 30.974 > 6 7 P 0.66586260223956 0.62422850067536 0.80990858389508 30.974 > 7 8 P 0.33413739776043 0.12422850067536 0.69009141610492 30.974 > 8 *9 Ir 0.27159008001625 0.49970654115289 0.79286593567656 192.217 > 9 10 Ir 0.72840991998375 0.99970654115289 0.70713406432344 192.217 > 10 11 Ir 0.72840991998375 0.50029345884711 0.20713406432344 192.217 > 11 12 Ir 0.27159008001625 0.00029345884711 0.29286593567656 192.217 > 12-------------------------------- super cell --------------------------------Lattice vectors: a 17.208431250054680 0.000000000000000 0.000000000000000 b 0.000000000000000 11.575247700000002 0.000000000000000 c -4.284031159801332 0.000000000000000 10.885101440603250Atomic positions (fractional): *1 P 0.05264367566448 0.44006547598663 0.43622929631516 30.974 > 1 2 P 0.38597700899782 0.44006547598663 0.43622929631516 30.974 > 1 3 P 0.71931034233115 0.44006547598663 0.43622929631516 30.974 > 1 4 P 0.05264367566448 0.94006547598663 0.43622929631516 30.974 > 1 5 P 0.38597700899782 0.94006547598663 0.43622929631516 30.974 > 1 6 P 0.71931034233115 0.94006547598663 0.43622929631516 30.974 > 1 7 P 0.05264367566448 0.44006547598663 0.93622929631516 30.974 > 1 8 P 0.38597700899782 0.44006547598663 0.93622929631516 30.974 > 1 9 P 0.71931034233115 0.44006547598663 0.93622929631516 30.974 > 1 10 P 0.05264367566448 0.94006547598663 0.93622929631516 30.974 > 1 11 P 0.38597700899782 0.94006547598663 0.93622929631516 30.974 > 1 12 P 0.71931034233115 0.94006547598663 0.93622929631516 30.974 > 1 13 P 0.28068965766885 0.19006547598663 0.31377070368484 30.974 > 2 14 P 0.61402299100218 0.19006547598663 0.31377070368484 30.974 > 2 15 P 0.94735632433552 0.19006547598663 0.31377070368484 30.974 > 2 16 P 0.28068965766885 0.69006547598663 0.31377070368484 30.974 > 2 17 P 0.61402299100218 0.69006547598663 0.31377070368484 30.974 > 2 18 P 0.94735632433552 0.69006547598663 0.31377070368484 30.974 > 2 19 P 0.28068965766885 0.19006547598663 0.81377070368484 30.974 > 2 20 P 0.61402299100218 0.19006547598663 0.81377070368484 30.974 > 2 21 P 0.94735632433552 0.19006547598663 0.81377070368484 30.974 > 2 22 P 0.28068965766885 0.69006547598663 0.81377070368484 30.974 > 2 23 P 0.61402299100218 0.69006547598663 0.81377070368484 30.974 > 2 24 P 0.94735632433552 0.69006547598663 0.81377070368484 30.974 > 2 25 P 0.28068965766885 0.05993452401337 0.06377070368484 30.974 > 3 26 P 0.61402299100218 0.05993452401337 0.06377070368484 30.974 > 3 27 P 0.94735632433552 0.05993452401337 0.06377070368484 30.974 > 3 28 P 0.28068965766885 0.55993452401337 0.06377070368484 30.974 > 3 29 P 0.61402299100218 0.55993452401337 0.06377070368484 30.974 > 3 30 P 0.94735632433552 0.55993452401337 0.06377070368484 30.974 > 3 31 P 0.28068965766885 0.05993452401337 0.56377070368484 30.974 > 3 32 P 0.61402299100218 0.05993452401337 0.56377070368484 30.974 > 3 33 P 0.94735632433552 0.05993452401337 0.56377070368484 30.974 > 3 34 P 0.28068965766885 0.55993452401337 0.56377070368484 30.974 > 3 35 P 0.61402299100218 0.55993452401337 0.56377070368484 30.974 > 3 36 P 0.94735632433552 0.55993452401337 0.56377070368484 30.974 > 3 37 P 0.05264367566448 0.30993452401337 0.18622929631516 30.974 > 4 38 P 0.38597700899782 0.30993452401337 0.18622929631516 30.974 > 4 39 P 0.71931034233115 0.30993452401337 0.18622929631516 30.974 > 4 40 P 0.05264367566448 0.80993452401337 0.18622929631516 30.974 > 4 41 P 0.38597700899782 0.80993452401337 0.18622929631516 30.974 > 4 42 P 0.71931034233115 0.80993452401337 0.18622929631516 30.974 > 4 43 P 0.05264367566448 0.30993452401337 0.68622929631516 30.974 > 4 44 P 0.38597700899782 0.30993452401337 0.68622929631516 30.974 > 4 45 P 0.71931034233115 0.30993452401337 0.68622929631516 30.974 > 4 46 P 0.05264367566448 0.80993452401337 0.68622929631516 30.974 > 4 47 P 0.38597700899782 0.80993452401337 0.68622929631516 30.974 > 4 48 P 0.71931034233115 0.80993452401337 0.68622929631516 30.974 > 4 *49 P 0.11137913258681 0.18788574966232 0.09504570805246 30.974 > 5 50 P 0.44471246592014 0.18788574966232 0.09504570805246 30.974 > 5 51 P 0.77804579925348 0.18788574966232 0.09504570805246 30.974 > 5 52 P 0.11137913258681 0.68788574966232 0.09504570805246 30.974 > 5 53 P 0.44471246592014 0.68788574966232 0.09504570805246 30.974 > 5 54 P 0.77804579925348 0.68788574966232 0.09504570805246 30.974 > 5 55 P 0.11137913258681 0.18788574966232 0.59504570805246 30.974 > 5 56 P 0.44471246592014 0.18788574966232 0.59504570805246 30.974 > 5 57 P 0.77804579925348 0.18788574966232 0.59504570805246 30.974 > 5 58 P 0.11137913258681 0.68788574966232 0.59504570805246 30.974 > 5 59 P 0.44471246592014 0.68788574966232 0.59504570805246 30.974 > 5 60 P 0.77804579925348 0.68788574966232 0.59504570805246 30.974 > 5 61 P 0.22195420074652 0.43788574966232 0.15495429194754 30.974 > 6 62 P 0.55528753407985 0.43788574966232 0.15495429194754 30.974 > 6 63 P 0.88862086741319 0.43788574966232 0.15495429194754 30.974 > 6 64 P 0.22195420074652 0.93788574966232 0.15495429194754 30.974 > 6 65 P 0.55528753407985 0.93788574966232 0.15495429194754 30.974 > 6 66 P 0.88862086741319 0.93788574966232 0.15495429194754 30.974 > 6 67 P 0.22195420074652 0.43788574966232 0.65495429194754 30.974 > 6 68 P 0.55528753407985 0.43788574966232 0.65495429194754 30.974 > 6 69 P 0.88862086741319 0.43788574966232 0.65495429194754 30.974 > 6 70 P 0.22195420074652 0.93788574966232 0.65495429194754 30.974 > 6 71 P 0.55528753407985 0.93788574966232 0.65495429194754 30.974 > 6 72 P 0.88862086741319 0.93788574966232 0.65495429194754 30.974 > 6 73 P 0.22195420074652 0.31211425033768 0.40495429194754 30.974 > 7 74 P 0.55528753407985 0.31211425033768 0.40495429194754 30.974 > 7 75 P 0.88862086741319 0.31211425033768 0.40495429194754 30.974 > 7 76 P 0.22195420074652 0.81211425033768 0.40495429194754 30.974 > 7 77 P 0.55528753407985 0.81211425033768 0.40495429194754 30.974 > 7 78 P 0.88862086741319 0.81211425033768 0.40495429194754 30.974 > 7 79 P 0.22195420074652 0.31211425033768 0.90495429194754 30.974 > 7 80 P 0.55528753407985 0.31211425033768 0.90495429194754 30.974 > 7 81 P 0.88862086741319 0.31211425033768 0.90495429194754 30.974 > 7 82 P 0.22195420074652 0.81211425033768 0.90495429194754 30.974 > 7 83 P 0.55528753407985 0.81211425033768 0.90495429194754 30.974 > 7 84 P 0.88862086741319 0.81211425033768 0.90495429194754 30.974 > 7 85 P 0.11137913258681 0.06211425033768 0.34504570805246 30.974 > 8 86 P 0.44471246592014 0.06211425033768 0.34504570805246 30.974 > 8 87 P 0.77804579925348 0.06211425033768 0.34504570805246 30.974 > 8 88 P 0.11137913258681 0.56211425033768 0.34504570805246 30.974 > 8 89 P 0.44471246592014 0.56211425033768 0.34504570805246 30.974 > 8 90 P 0.77804579925348 0.56211425033768 0.34504570805246 30.974 > 8 91 P 0.11137913258681 0.06211425033768 0.84504570805246 30.974 > 8 92 P 0.44471246592014 0.06211425033768 0.84504570805246 30.974 > 8 93 P 0.77804579925348 0.06211425033768 0.84504570805246 30.974 > 8 94 P 0.11137913258681 0.56211425033768 0.84504570805246 30.974 > 8 95 P 0.44471246592014 0.56211425033768 0.84504570805246 30.974 > 8 96 P 0.77804579925348 0.56211425033768 0.84504570805246 30.974 > 8 *97 Ir 0.09053002667208 0.24985327057645 0.39643296783828 192.217 > 9 98 Ir 0.42386336000542 0.24985327057645 0.39643296783828 192.217 > 9 99 Ir 0.75719669333875 0.24985327057645 0.39643296783828 192.217 > 9 100 Ir 0.09053002667208 0.74985327057645 0.39643296783828 192.217 > 9 101 Ir 0.42386336000542 0.74985327057645 0.39643296783828 192.217 > 9 102 Ir 0.75719669333875 0.74985327057645 0.39643296783828 192.217 > 9 103 Ir 0.09053002667208 0.24985327057645 0.89643296783828 192.217 > 9 104 Ir 0.42386336000542 0.24985327057645 0.89643296783828 192.217 > 9 105 Ir 0.75719669333875 0.24985327057645 0.89643296783828 192.217 > 9 106 Ir 0.09053002667208 0.74985327057645 0.89643296783828 192.217 > 9 107 Ir 0.42386336000542 0.74985327057645 0.89643296783828 192.217 > 9 108 Ir 0.75719669333875 0.74985327057645 0.89643296783828 192.217 > 9 109 Ir 0.24280330666125 0.49985327057645 0.35356703216172 192.217 > 10 110 Ir 0.57613663999458 0.49985327057645 0.35356703216172 192.217 > 10 111 Ir 0.90946997332792 0.49985327057645 0.35356703216172 192.217 > 10 112 Ir 0.24280330666125 0.99985327057645 0.35356703216172 192.217 > 10 113 Ir 0.57613663999458 0.99985327057645 0.35356703216172 192.217 > 10 114 Ir 0.90946997332792 0.99985327057645 0.35356703216172 192.217 > 10 115 Ir 0.24280330666125 0.49985327057645 0.85356703216172 192.217 > 10 116 Ir 0.57613663999458 0.49985327057645 0.85356703216172 192.217 > 10 117 Ir 0.90946997332792 0.49985327057645 0.85356703216172 192.217 > 10 118 Ir 0.24280330666125 0.99985327057645 0.85356703216172 192.217 > 10 119 Ir 0.57613663999458 0.99985327057645 0.85356703216172 192.217 > 10 120 Ir 0.90946997332792 0.99985327057645 0.85356703216172 192.217 > 10 121 Ir 0.24280330666125 0.25014672942355 0.10356703216172 192.217 > 11 122 Ir 0.57613663999458 0.25014672942355 0.10356703216172 192.217 > 11 123 Ir 0.90946997332792 0.25014672942355 0.10356703216172 192.217 > 11 124 Ir 0.24280330666125 0.75014672942355 0.10356703216172 192.217 > 11 125 Ir 0.57613663999458 0.75014672942355 0.10356703216172 192.217 > 11 126 Ir 0.90946997332792 0.75014672942355 0.10356703216172 192.217 > 11 127 Ir 0.24280330666125 0.25014672942355 0.60356703216172 192.217 > 11 128 Ir 0.57613663999458 0.25014672942355 0.60356703216172 192.217 > 11 129 Ir 0.90946997332792 0.25014672942355 0.60356703216172 192.217 > 11 130 Ir 0.24280330666125 0.75014672942355 0.60356703216172 192.217 > 11 131 Ir 0.57613663999458 0.75014672942355 0.60356703216172 192.217 > 11 132 Ir 0.90946997332792 0.75014672942355 0.60356703216172 192.217 > 11 133 Ir 0.09053002667208 0.00014672942355 0.14643296783828 192.217 > 12 134 Ir 0.42386336000542 0.00014672942355 0.14643296783828 192.217 > 12 135 Ir 0.75719669333875 0.00014672942355 0.14643296783828 192.217 > 12 136 Ir 0.09053002667208 0.50014672942355 0.14643296783828 192.217 > 12 137 Ir 0.42386336000542 0.50014672942355 0.14643296783828 192.217 > 12 138 Ir 0.75719669333875 0.50014672942355 0.14643296783828 192.217 > 12 139 Ir 0.09053002667208 0.00014672942355 0.64643296783828 192.217 > 12 140 Ir 0.42386336000542 0.00014672942355 0.64643296783828 192.217 > 12 141 Ir 0.75719669333875 0.00014672942355 0.64643296783828 192.217 > 12 142 Ir 0.09053002667208 0.50014672942355 0.64643296783828 192.217 > 12 143 Ir 0.42386336000542 0.50014672942355 0.64643296783828 192.217 > 12 144 Ir 0.75719669333875 0.50014672942355 0.64643296783828 192.217 > 12----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 15.8631306 0.0000000 0.5342918 0.0000000 16.6372652 0.0000000 0.5342875 0.0000000 16.3231611-------------------------- Born effective charges -------------------------- 1 P 2.2009415 0.1729608 0.5217801 0.1752330 2.2065524 -0.2742639 -0.1448630 -0.1375561 2.7337331 2 P 2.2009415 -0.1729608 0.5217801 -0.1752330 2.2065524 0.2742639 -0.1448630 0.1375561 2.7337331 3 P 2.2009415 0.1729608 0.5217801 0.1752330 2.2065524 -0.2742639 -0.1448630 -0.1375561 2.7337331 4 P 2.2009415 -0.1729608 0.5217801 -0.1752330 2.2065524 0.2742639 -0.1448630 0.1375561 2.7337331 5 P 2.9526023 -0.1853571 -0.2542493 0.0679375 2.5148328 -0.0454650 0.0624591 -0.1374307 2.4928679 6 P 2.9526023 0.1853571 -0.2542493 -0.0679375 2.5148328 0.0454650 0.0624591 0.1374307 2.4928679 7 P 2.9526023 -0.1853571 -0.2542493 0.0679375 2.5148328 -0.0454650 0.0624591 -0.1374307 2.4928679 8 P 2.9526023 0.1853571 -0.2542493 -0.0679375 2.5148328 0.0454650 0.0624591 0.1374307 2.4928679 9 Ir -5.1535438 -0.1636627 -0.2675308 -0.6596414 -4.7213852 0.4239081 0.0824039 -0.0350438 -5.2266010 10 Ir -5.1535438 0.1636627 -0.2675308 0.6596414 -4.7213852 -0.4239081 0.0824039 0.0350438 -5.2266010 11 Ir -5.1535438 -0.1636627 -0.2675308 -0.6596414 -4.7213852 0.4239081 0.0824039 -0.0350438 -5.2266010 12 Ir -5.1535438 0.1636627 -0.2675308 0.6596414 -4.7213852 -0.4239081 0.0824039 0.0350438 -5.2266010----------------------------------------------------------------------------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: 432/432Permutation basis: 8352/8352Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2016Number of blocks in projector: 2016Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 432Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 432Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 432Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 240Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 240Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 240Use standard eigh solver.Tree of FC basis block matrices:- (2016, 1990), data: False|-- (240, 237), data: True|-- (240, 237), data: True|-- (240, 237), data: True|-- (432, 426), data: True|-- (432, 426), data: True|-- (432, 427), data: True-----Solver_atoms: 1 -- 144 / 144Time (Solver_compr_matrix_reshape): 0.006Solver_block: 100 / 400 - Time: 4.412Solver_block: 200 / 400 - Time: 4.461Solver_block: 300 / 400 - Time: 4.462Solver_block: 400 / 400 - Time: 4.482Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 17.875--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432Permutation basis: 8352/8352Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2016Number of blocks in projector: 2016Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 432Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 432Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 432Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 240Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 240Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 240Use standard eigh solver.Tree of FC basis block matrices:- (2016, 1990), data: False|-- (240, 237), data: True|-- (240, 237), data: True|-- (240, 237), data: True|-- (432, 426), data: True|-- (432, 426), data: True|-- (432, 427), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 23:38:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:38:44]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [3 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 5.736143750018226 0.000000000000000 0.000000000000000 b 0.000000000000000 5.787623850000001 0.000000000000000 c -2.142015579900666 0.000000000000000 5.442550720301625Atomic positions (fractional): 1 P 0.15793102699345 0.88013095197326 0.87245859263032 30.974 2 P 0.84206897300655 0.38013095197326 0.62754140736968 30.974 3 P 0.84206897300655 0.11986904802674 0.12754140736968 30.974 4 P 0.15793102699345 0.61986904802674 0.37245859263032 30.974 5 P 0.33413739776043 0.37577149932464 0.19009141610492 30.974 6 P 0.66586260223956 0.87577149932464 0.30990858389508 30.974 7 P 0.66586260223956 0.62422850067536 0.80990858389508 30.974 8 P 0.33413739776043 0.12422850067536 0.69009141610492 30.974 9 Ir 0.27159008001625 0.49970654115289 0.79286593567656 192.217 10 Ir 0.72840991998375 0.99970654115289 0.70713406432344 192.217 11 Ir 0.72840991998375 0.50029345884711 0.20713406432344 192.217 12 Ir 0.27159008001625 0.00029345884711 0.29286593567656 192.217-------------------------------- supercell ---------------------------------Lattice vectors: a 17.208431250054680 0.000000000000000 0.000000000000000 b 0.000000000000000 11.575247700000002 0.000000000000000 c -4.284031159801332 0.000000000000000 10.885101440603250Atomic positions (fractional): 1 P 0.05264367566448 0.44006547598663 0.43622929631516 30.974 > 1 2 P 0.38597700899782 0.44006547598663 0.43622929631516 30.974 > 1 3 P 0.71931034233115 0.44006547598663 0.43622929631516 30.974 > 1 4 P 0.05264367566448 0.94006547598663 0.43622929631516 30.974 > 1 5 P 0.38597700899782 0.94006547598663 0.43622929631516 30.974 > 1 6 P 0.71931034233115 0.94006547598663 0.43622929631516 30.974 > 1 7 P 0.05264367566448 0.44006547598663 0.93622929631516 30.974 > 1 8 P 0.38597700899782 0.44006547598663 0.93622929631516 30.974 > 1 9 P 0.71931034233115 0.44006547598663 0.93622929631516 30.974 > 1 10 P 0.05264367566448 0.94006547598663 0.93622929631516 30.974 > 1 11 P 0.38597700899782 0.94006547598663 0.93622929631516 30.974 > 1 12 P 0.71931034233115 0.94006547598663 0.93622929631516 30.974 > 1 13 P 0.28068965766885 0.19006547598663 0.31377070368484 30.974 > 13 14 P 0.61402299100218 0.19006547598663 0.31377070368484 30.974 > 13 15 P 0.94735632433552 0.19006547598663 0.31377070368484 30.974 > 13 16 P 0.28068965766885 0.69006547598663 0.31377070368484 30.974 > 13 17 P 0.61402299100218 0.69006547598663 0.31377070368484 30.974 > 13 18 P 0.94735632433552 0.69006547598663 0.31377070368484 30.974 > 13 19 P 0.28068965766885 0.19006547598663 0.81377070368484 30.974 > 13 20 P 0.61402299100218 0.19006547598663 0.81377070368484 30.974 > 13 21 P 0.94735632433552 0.19006547598663 0.81377070368484 30.974 > 13 22 P 0.28068965766885 0.69006547598663 0.81377070368484 30.974 > 13 23 P 0.61402299100218 0.69006547598663 0.81377070368484 30.974 > 13 24 P 0.94735632433552 0.69006547598663 0.81377070368484 30.974 > 13 25 P 0.28068965766885 0.05993452401337 0.06377070368484 30.974 > 25 26 P 0.61402299100218 0.05993452401337 0.06377070368484 30.974 > 25 27 P 0.94735632433552 0.05993452401337 0.06377070368484 30.974 > 25 28 P 0.28068965766885 0.55993452401337 0.06377070368484 30.974 > 25 29 P 0.61402299100218 0.55993452401337 0.06377070368484 30.974 > 25 30 P 0.94735632433552 0.55993452401337 0.06377070368484 30.974 > 25 31 P 0.28068965766885 0.05993452401337 0.56377070368484 30.974 > 25 32 P 0.61402299100218 0.05993452401337 0.56377070368484 30.974 > 25 33 P 0.94735632433552 0.05993452401337 0.56377070368484 30.974 > 25 34 P 0.28068965766885 0.55993452401337 0.56377070368484 30.974 > 25 35 P 0.61402299100218 0.55993452401337 0.56377070368484 30.974 > 25 36 P 0.94735632433552 0.55993452401337 0.56377070368484 30.974 > 25 37 P 0.05264367566448 0.30993452401337 0.18622929631516 30.974 > 37 38 P 0.38597700899782 0.30993452401337 0.18622929631516 30.974 > 37 39 P 0.71931034233115 0.30993452401337 0.18622929631516 30.974 > 37 40 P 0.05264367566448 0.80993452401337 0.18622929631516 30.974 > 37 41 P 0.38597700899782 0.80993452401337 0.18622929631516 30.974 > 37 42 P 0.71931034233115 0.80993452401337 0.18622929631516 30.974 > 37 43 P 0.05264367566448 0.30993452401337 0.68622929631516 30.974 > 37 44 P 0.38597700899782 0.30993452401337 0.68622929631516 30.974 > 37 45 P 0.71931034233115 0.30993452401337 0.68622929631516 30.974 > 37 46 P 0.05264367566448 0.80993452401337 0.68622929631516 30.974 > 37 47 P 0.38597700899782 0.80993452401337 0.68622929631516 30.974 > 37 48 P 0.71931034233115 0.80993452401337 0.68622929631516 30.974 > 37 49 P 0.11137913258681 0.18788574966232 0.09504570805246 30.974 > 49 50 P 0.44471246592014 0.18788574966232 0.09504570805246 30.974 > 49 51 P 0.77804579925348 0.18788574966232 0.09504570805246 30.974 > 49 52 P 0.11137913258681 0.68788574966232 0.09504570805246 30.974 > 49 53 P 0.44471246592014 0.68788574966232 0.09504570805246 30.974 > 49 54 P 0.77804579925348 0.68788574966232 0.09504570805246 30.974 > 49 55 P 0.11137913258681 0.18788574966232 0.59504570805246 30.974 > 49 56 P 0.44471246592014 0.18788574966232 0.59504570805246 30.974 > 49 57 P 0.77804579925348 0.18788574966232 0.59504570805246 30.974 > 49 58 P 0.11137913258681 0.68788574966232 0.59504570805246 30.974 > 49 59 P 0.44471246592014 0.68788574966232 0.59504570805246 30.974 > 49 60 P 0.77804579925348 0.68788574966232 0.59504570805246 30.974 > 49 61 P 0.22195420074652 0.43788574966232 0.15495429194754 30.974 > 61 62 P 0.55528753407985 0.43788574966232 0.15495429194754 30.974 > 61 63 P 0.88862086741319 0.43788574966232 0.15495429194754 30.974 > 61 64 P 0.22195420074652 0.93788574966232 0.15495429194754 30.974 > 61 65 P 0.55528753407985 0.93788574966232 0.15495429194754 30.974 > 61 66 P 0.88862086741319 0.93788574966232 0.15495429194754 30.974 > 61 67 P 0.22195420074652 0.43788574966232 0.65495429194754 30.974 > 61 68 P 0.55528753407985 0.43788574966232 0.65495429194754 30.974 > 61 69 P 0.88862086741319 0.43788574966232 0.65495429194754 30.974 > 61 70 P 0.22195420074652 0.93788574966232 0.65495429194754 30.974 > 61 71 P 0.55528753407985 0.93788574966232 0.65495429194754 30.974 > 61 72 P 0.88862086741319 0.93788574966232 0.65495429194754 30.974 > 61 73 P 0.22195420074652 0.31211425033768 0.40495429194754 30.974 > 73 74 P 0.55528753407985 0.31211425033768 0.40495429194754 30.974 > 73 75 P 0.88862086741319 0.31211425033768 0.40495429194754 30.974 > 73 76 P 0.22195420074652 0.81211425033768 0.40495429194754 30.974 > 73 77 P 0.55528753407985 0.81211425033768 0.40495429194754 30.974 > 73 78 P 0.88862086741319 0.81211425033768 0.40495429194754 30.974 > 73 79 P 0.22195420074652 0.31211425033768 0.90495429194754 30.974 > 73 80 P 0.55528753407985 0.31211425033768 0.90495429194754 30.974 > 73 81 P 0.88862086741319 0.31211425033768 0.90495429194754 30.974 > 73 82 P 0.22195420074652 0.81211425033768 0.90495429194754 30.974 > 73 83 P 0.55528753407985 0.81211425033768 0.90495429194754 30.974 > 73 84 P 0.88862086741319 0.81211425033768 0.90495429194754 30.974 > 73 85 P 0.11137913258681 0.06211425033768 0.34504570805246 30.974 > 85 86 P 0.44471246592014 0.06211425033768 0.34504570805246 30.974 > 85 87 P 0.77804579925348 0.06211425033768 0.34504570805246 30.974 > 85 88 P 0.11137913258681 0.56211425033768 0.34504570805246 30.974 > 85 89 P 0.44471246592014 0.56211425033768 0.34504570805246 30.974 > 85 90 P 0.77804579925348 0.56211425033768 0.34504570805246 30.974 > 85 91 P 0.11137913258681 0.06211425033768 0.84504570805246 30.974 > 85 92 P 0.44471246592014 0.06211425033768 0.84504570805246 30.974 > 85 93 P 0.77804579925348 0.06211425033768 0.84504570805246 30.974 > 85 94 P 0.11137913258681 0.56211425033768 0.84504570805246 30.974 > 85 95 P 0.44471246592014 0.56211425033768 0.84504570805246 30.974 > 85 96 P 0.77804579925348 0.56211425033768 0.84504570805246 30.974 > 85 97 Ir 0.09053002667208 0.24985327057645 0.39643296783828 192.217 > 97 98 Ir 0.42386336000542 0.24985327057645 0.39643296783828 192.217 > 97 99 Ir 0.75719669333875 0.24985327057645 0.39643296783828 192.217 > 97 100 Ir 0.09053002667208 0.74985327057645 0.39643296783828 192.217 > 97 101 Ir 0.42386336000542 0.74985327057645 0.39643296783828 192.217 > 97 102 Ir 0.75719669333875 0.74985327057645 0.39643296783828 192.217 > 97 103 Ir 0.09053002667208 0.24985327057645 0.89643296783828 192.217 > 97 104 Ir 0.42386336000542 0.24985327057645 0.89643296783828 192.217 > 97 105 Ir 0.75719669333875 0.24985327057645 0.89643296783828 192.217 > 97 106 Ir 0.09053002667208 0.74985327057645 0.89643296783828 192.217 > 97 107 Ir 0.42386336000542 0.74985327057645 0.89643296783828 192.217 > 97 108 Ir 0.75719669333875 0.74985327057645 0.89643296783828 192.217 > 97 109 Ir 0.24280330666125 0.49985327057645 0.35356703216172 192.217 > 109 110 Ir 0.57613663999458 0.49985327057645 0.35356703216172 192.217 > 109 111 Ir 0.90946997332792 0.49985327057645 0.35356703216172 192.217 > 109 112 Ir 0.24280330666125 0.99985327057645 0.35356703216172 192.217 > 109 113 Ir 0.57613663999458 0.99985327057645 0.35356703216172 192.217 > 109 114 Ir 0.90946997332792 0.99985327057645 0.35356703216172 192.217 > 109 115 Ir 0.24280330666125 0.49985327057645 0.85356703216172 192.217 > 109 116 Ir 0.57613663999458 0.49985327057645 0.85356703216172 192.217 > 109 117 Ir 0.90946997332792 0.49985327057645 0.85356703216172 192.217 > 109 118 Ir 0.24280330666125 0.99985327057645 0.85356703216172 192.217 > 109 119 Ir 0.57613663999458 0.99985327057645 0.85356703216172 192.217 > 109 120 Ir 0.90946997332792 0.99985327057645 0.85356703216172 192.217 > 109 121 Ir 0.24280330666125 0.25014672942355 0.10356703216172 192.217 > 121 122 Ir 0.57613663999458 0.25014672942355 0.10356703216172 192.217 > 121 123 Ir 0.90946997332792 0.25014672942355 0.10356703216172 192.217 > 121 124 Ir 0.24280330666125 0.75014672942355 0.10356703216172 192.217 > 121 125 Ir 0.57613663999458 0.75014672942355 0.10356703216172 192.217 > 121 126 Ir 0.90946997332792 0.75014672942355 0.10356703216172 192.217 > 121 127 Ir 0.24280330666125 0.25014672942355 0.60356703216172 192.217 > 121 128 Ir 0.57613663999458 0.25014672942355 0.60356703216172 192.217 > 121 129 Ir 0.90946997332792 0.25014672942355 0.60356703216172 192.217 > 121 130 Ir 0.24280330666125 0.75014672942355 0.60356703216172 192.217 > 121 131 Ir 0.57613663999458 0.75014672942355 0.60356703216172 192.217 > 121 132 Ir 0.90946997332792 0.75014672942355 0.60356703216172 192.217 > 121 133 Ir 0.09053002667208 0.00014672942355 0.14643296783828 192.217 > 133 134 Ir 0.42386336000542 0.00014672942355 0.14643296783828 192.217 > 133 135 Ir 0.75719669333875 0.00014672942355 0.14643296783828 192.217 > 133 136 Ir 0.09053002667208 0.50014672942355 0.14643296783828 192.217 > 133 137 Ir 0.42386336000542 0.50014672942355 0.14643296783828 192.217 > 133 138 Ir 0.75719669333875 0.50014672942355 0.14643296783828 192.217 > 133 139 Ir 0.09053002667208 0.00014672942355 0.64643296783828 192.217 > 133 140 Ir 0.42386336000542 0.00014672942355 0.64643296783828 192.217 > 133 141 Ir 0.75719669333875 0.00014672942355 0.64643296783828 192.217 > 133 142 Ir 0.09053002667208 0.50014672942355 0.64643296783828 192.217 > 133 143 Ir 0.42386336000542 0.50014672942355 0.64643296783828 192.217 > 133 144 Ir 0.75719669333875 0.50014672942355 0.64643296783828 192.217 > 133----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 15.8631306 0.0000000 0.5342918 0.0000000 16.6372652 0.0000000 0.5342875 0.0000000 16.3231611-------------------------- Born effective charges -------------------------- 1 P 2.2009415 0.1729608 0.5217801 0.1752330 2.2065524 -0.2742639 -0.1448630 -0.1375561 2.7337331 2 P 2.2009415 -0.1729608 0.5217801 -0.1752330 2.2065524 0.2742639 -0.1448630 0.1375561 2.7337331 3 P 2.2009415 0.1729608 0.5217801 0.1752330 2.2065524 -0.2742639 -0.1448630 -0.1375561 2.7337331 4 P 2.2009415 -0.1729608 0.5217801 -0.1752330 2.2065524 0.2742639 -0.1448630 0.1375561 2.7337331 5 P 2.9526023 -0.1853571 -0.2542493 0.0679375 2.5148328 -0.0454650 0.0624591 -0.1374307 2.4928679 6 P 2.9526023 0.1853571 -0.2542493 -0.0679375 2.5148328 0.0454650 0.0624591 0.1374307 2.4928679 7 P 2.9526023 -0.1853571 -0.2542493 0.0679375 2.5148328 -0.0454650 0.0624591 -0.1374307 2.4928679 8 P 2.9526023 0.1853571 -0.2542493 -0.0679375 2.5148328 0.0454650 0.0624591 0.1374307 2.4928679 9 Ir -5.1535438 -0.1636627 -0.2675308 -0.6596414 -4.7213852 0.4239081 0.0824039 -0.0350438 -5.2266010 10 Ir -5.1535438 0.1636627 -0.2675308 0.6596414 -4.7213852 -0.4239081 0.0824039 0.0350438 -5.2266010 11 Ir -5.1535438 -0.1636627 -0.2675308 -0.6596414 -4.7213852 0.4239081 0.0824039 -0.0350438 -5.2266010 12 Ir -5.1535438 0.1636627 -0.2675308 0.6596414 -4.7213852 -0.4239081 0.0824039 0.0350438 -5.2266010----------------------------------------------------------------------------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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093]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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093]Computing fc3[ 97, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000001 (yx) -0.00000001 (yx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency 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 23:39:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:39:05]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [3 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 5.736143750018226 0.000000000000000 0.000000000000000 b 0.000000000000000 5.787623850000001 0.000000000000000 c -2.142015579900666 0.000000000000000 5.442550720301625Atomic positions (fractional): 1 P 0.15793102699345 0.88013095197326 0.87245859263032 30.974 2 P 0.84206897300655 0.38013095197326 0.62754140736968 30.974 3 P 0.84206897300655 0.11986904802674 0.12754140736968 30.974 4 P 0.15793102699345 0.61986904802674 0.37245859263032 30.974 5 P 0.33413739776043 0.37577149932464 0.19009141610492 30.974 6 P 0.66586260223956 0.87577149932464 0.30990858389508 30.974 7 P 0.66586260223956 0.62422850067536 0.80990858389508 30.974 8 P 0.33413739776043 0.12422850067536 0.69009141610492 30.974 9 Ir 0.27159008001625 0.49970654115289 0.79286593567656 192.217 10 Ir 0.72840991998375 0.99970654115289 0.70713406432344 192.217 11 Ir 0.72840991998375 0.50029345884711 0.20713406432344 192.217 12 Ir 0.27159008001625 0.00029345884711 0.29286593567656 192.217-------------------------------- supercell ---------------------------------Lattice vectors: a 17.208431250054680 0.000000000000000 0.000000000000000 b 0.000000000000000 11.575247700000002 0.000000000000000 c -4.284031159801332 0.000000000000000 10.885101440603250Atomic positions (fractional): 1 P 0.05264367566448 0.44006547598663 0.43622929631516 30.974 > 1 2 P 0.38597700899782 0.44006547598663 0.43622929631516 30.974 > 1 3 P 0.71931034233115 0.44006547598663 0.43622929631516 30.974 > 1 4 P 0.05264367566448 0.94006547598663 0.43622929631516 30.974 > 1 5 P 0.38597700899782 0.94006547598663 0.43622929631516 30.974 > 1 6 P 0.71931034233115 0.94006547598663 0.43622929631516 30.974 > 1 7 P 0.05264367566448 0.44006547598663 0.93622929631516 30.974 > 1 8 P 0.38597700899782 0.44006547598663 0.93622929631516 30.974 > 1 9 P 0.71931034233115 0.44006547598663 0.93622929631516 30.974 > 1 10 P 0.05264367566448 0.94006547598663 0.93622929631516 30.974 > 1 11 P 0.38597700899782 0.94006547598663 0.93622929631516 30.974 > 1 12 P 0.71931034233115 0.94006547598663 0.93622929631516 30.974 > 1 13 P 0.28068965766885 0.19006547598663 0.31377070368484 30.974 > 13 14 P 0.61402299100218 0.19006547598663 0.31377070368484 30.974 > 13 15 P 0.94735632433552 0.19006547598663 0.31377070368484 30.974 > 13 16 P 0.28068965766885 0.69006547598663 0.31377070368484 30.974 > 13 17 P 0.61402299100218 0.69006547598663 0.31377070368484 30.974 > 13 18 P 0.94735632433552 0.69006547598663 0.31377070368484 30.974 > 13 19 P 0.28068965766885 0.19006547598663 0.81377070368484 30.974 > 13 20 P 0.61402299100218 0.19006547598663 0.81377070368484 30.974 > 13 21 P 0.94735632433552 0.19006547598663 0.81377070368484 30.974 > 13 22 P 0.28068965766885 0.69006547598663 0.81377070368484 30.974 > 13 23 P 0.61402299100218 0.69006547598663 0.81377070368484 30.974 > 13 24 P 0.94735632433552 0.69006547598663 0.81377070368484 30.974 > 13 25 P 0.28068965766885 0.05993452401337 0.06377070368484 30.974 > 25 26 P 0.61402299100218 0.05993452401337 0.06377070368484 30.974 > 25 27 P 0.94735632433552 0.05993452401337 0.06377070368484 30.974 > 25 28 P 0.28068965766885 0.55993452401337 0.06377070368484 30.974 > 25 29 P 0.61402299100218 0.55993452401337 0.06377070368484 30.974 > 25 30 P 0.94735632433552 0.55993452401337 0.06377070368484 30.974 > 25 31 P 0.28068965766885 0.05993452401337 0.56377070368484 30.974 > 25 32 P 0.61402299100218 0.05993452401337 0.56377070368484 30.974 > 25 33 P 0.94735632433552 0.05993452401337 0.56377070368484 30.974 > 25 34 P 0.28068965766885 0.55993452401337 0.56377070368484 30.974 > 25 35 P 0.61402299100218 0.55993452401337 0.56377070368484 30.974 > 25 36 P 0.94735632433552 0.55993452401337 0.56377070368484 30.974 > 25 37 P 0.05264367566448 0.30993452401337 0.18622929631516 30.974 > 37 38 P 0.38597700899782 0.30993452401337 0.18622929631516 30.974 > 37 39 P 0.71931034233115 0.30993452401337 0.18622929631516 30.974 > 37 40 P 0.05264367566448 0.80993452401337 0.18622929631516 30.974 > 37 41 P 0.38597700899782 0.80993452401337 0.18622929631516 30.974 > 37 42 P 0.71931034233115 0.80993452401337 0.18622929631516 30.974 > 37 43 P 0.05264367566448 0.30993452401337 0.68622929631516 30.974 > 37 44 P 0.38597700899782 0.30993452401337 0.68622929631516 30.974 > 37 45 P 0.71931034233115 0.30993452401337 0.68622929631516 30.974 > 37 46 P 0.05264367566448 0.80993452401337 0.68622929631516 30.974 > 37 47 P 0.38597700899782 0.80993452401337 0.68622929631516 30.974 > 37 48 P 0.71931034233115 0.80993452401337 0.68622929631516 30.974 > 37 49 P 0.11137913258681 0.18788574966232 0.09504570805246 30.974 > 49 50 P 0.44471246592014 0.18788574966232 0.09504570805246 30.974 > 49 51 P 0.77804579925348 0.18788574966232 0.09504570805246 30.974 > 49 52 P 0.11137913258681 0.68788574966232 0.09504570805246 30.974 > 49 53 P 0.44471246592014 0.68788574966232 0.09504570805246 30.974 > 49 54 P 0.77804579925348 0.68788574966232 0.09504570805246 30.974 > 49 55 P 0.11137913258681 0.18788574966232 0.59504570805246 30.974 > 49 56 P 0.44471246592014 0.18788574966232 0.59504570805246 30.974 > 49 57 P 0.77804579925348 0.18788574966232 0.59504570805246 30.974 > 49 58 P 0.11137913258681 0.68788574966232 0.59504570805246 30.974 > 49 59 P 0.44471246592014 0.68788574966232 0.59504570805246 30.974 > 49 60 P 0.77804579925348 0.68788574966232 0.59504570805246 30.974 > 49 61 P 0.22195420074652 0.43788574966232 0.15495429194754 30.974 > 61 62 P 0.55528753407985 0.43788574966232 0.15495429194754 30.974 > 61 63 P 0.88862086741319 0.43788574966232 0.15495429194754 30.974 > 61 64 P 0.22195420074652 0.93788574966232 0.15495429194754 30.974 > 61 65 P 0.55528753407985 0.93788574966232 0.15495429194754 30.974 > 61 66 P 0.88862086741319 0.93788574966232 0.15495429194754 30.974 > 61 67 P 0.22195420074652 0.43788574966232 0.65495429194754 30.974 > 61 68 P 0.55528753407985 0.43788574966232 0.65495429194754 30.974 > 61 69 P 0.88862086741319 0.43788574966232 0.65495429194754 30.974 > 61 70 P 0.22195420074652 0.93788574966232 0.65495429194754 30.974 > 61 71 P 0.55528753407985 0.93788574966232 0.65495429194754 30.974 > 61 72 P 0.88862086741319 0.93788574966232 0.65495429194754 30.974 > 61 73 P 0.22195420074652 0.31211425033768 0.40495429194754 30.974 > 73 74 P 0.55528753407985 0.31211425033768 0.40495429194754 30.974 > 73 75 P 0.88862086741319 0.31211425033768 0.40495429194754 30.974 > 73 76 P 0.22195420074652 0.81211425033768 0.40495429194754 30.974 > 73 77 P 0.55528753407985 0.81211425033768 0.40495429194754 30.974 > 73 78 P 0.88862086741319 0.81211425033768 0.40495429194754 30.974 > 73 79 P 0.22195420074652 0.31211425033768 0.90495429194754 30.974 > 73 80 P 0.55528753407985 0.31211425033768 0.90495429194754 30.974 > 73 81 P 0.88862086741319 0.31211425033768 0.90495429194754 30.974 > 73 82 P 0.22195420074652 0.81211425033768 0.90495429194754 30.974 > 73 83 P 0.55528753407985 0.81211425033768 0.90495429194754 30.974 > 73 84 P 0.88862086741319 0.81211425033768 0.90495429194754 30.974 > 73 85 P 0.11137913258681 0.06211425033768 0.34504570805246 30.974 > 85 86 P 0.44471246592014 0.06211425033768 0.34504570805246 30.974 > 85 87 P 0.77804579925348 0.06211425033768 0.34504570805246 30.974 > 85 88 P 0.11137913258681 0.56211425033768 0.34504570805246 30.974 > 85 89 P 0.44471246592014 0.56211425033768 0.34504570805246 30.974 > 85 90 P 0.77804579925348 0.56211425033768 0.34504570805246 30.974 > 85 91 P 0.11137913258681 0.06211425033768 0.84504570805246 30.974 > 85 92 P 0.44471246592014 0.06211425033768 0.84504570805246 30.974 > 85 93 P 0.77804579925348 0.06211425033768 0.84504570805246 30.974 > 85 94 P 0.11137913258681 0.56211425033768 0.84504570805246 30.974 > 85 95 P 0.44471246592014 0.56211425033768 0.84504570805246 30.974 > 85 96 P 0.77804579925348 0.56211425033768 0.84504570805246 30.974 > 85 97 Ir 0.09053002667208 0.24985327057645 0.39643296783828 192.217 > 97 98 Ir 0.42386336000542 0.24985327057645 0.39643296783828 192.217 > 97 99 Ir 0.75719669333875 0.24985327057645 0.39643296783828 192.217 > 97 100 Ir 0.09053002667208 0.74985327057645 0.39643296783828 192.217 > 97 101 Ir 0.42386336000542 0.74985327057645 0.39643296783828 192.217 > 97 102 Ir 0.75719669333875 0.74985327057645 0.39643296783828 192.217 > 97 103 Ir 0.09053002667208 0.24985327057645 0.89643296783828 192.217 > 97 104 Ir 0.42386336000542 0.24985327057645 0.89643296783828 192.217 > 97 105 Ir 0.75719669333875 0.24985327057645 0.89643296783828 192.217 > 97 106 Ir 0.09053002667208 0.74985327057645 0.89643296783828 192.217 > 97 107 Ir 0.42386336000542 0.74985327057645 0.89643296783828 192.217 > 97 108 Ir 0.75719669333875 0.74985327057645 0.89643296783828 192.217 > 97 109 Ir 0.24280330666125 0.49985327057645 0.35356703216172 192.217 > 109 110 Ir 0.57613663999458 0.49985327057645 0.35356703216172 192.217 > 109 111 Ir 0.90946997332792 0.49985327057645 0.35356703216172 192.217 > 109 112 Ir 0.24280330666125 0.99985327057645 0.35356703216172 192.217 > 109 113 Ir 0.57613663999458 0.99985327057645 0.35356703216172 192.217 > 109 114 Ir 0.90946997332792 0.99985327057645 0.35356703216172 192.217 > 109 115 Ir 0.24280330666125 0.49985327057645 0.85356703216172 192.217 > 109 116 Ir 0.57613663999458 0.49985327057645 0.85356703216172 192.217 > 109 117 Ir 0.90946997332792 0.49985327057645 0.85356703216172 192.217 > 109 118 Ir 0.24280330666125 0.99985327057645 0.85356703216172 192.217 > 109 119 Ir 0.57613663999458 0.99985327057645 0.85356703216172 192.217 > 109 120 Ir 0.90946997332792 0.99985327057645 0.85356703216172 192.217 > 109 121 Ir 0.24280330666125 0.25014672942355 0.10356703216172 192.217 > 121 122 Ir 0.57613663999458 0.25014672942355 0.10356703216172 192.217 > 121 123 Ir 0.90946997332792 0.25014672942355 0.10356703216172 192.217 > 121 124 Ir 0.24280330666125 0.75014672942355 0.10356703216172 192.217 > 121 125 Ir 0.57613663999458 0.75014672942355 0.10356703216172 192.217 > 121 126 Ir 0.90946997332792 0.75014672942355 0.10356703216172 192.217 > 121 127 Ir 0.24280330666125 0.25014672942355 0.60356703216172 192.217 > 121 128 Ir 0.57613663999458 0.25014672942355 0.60356703216172 192.217 > 121 129 Ir 0.90946997332792 0.25014672942355 0.60356703216172 192.217 > 121 130 Ir 0.24280330666125 0.75014672942355 0.60356703216172 192.217 > 121 131 Ir 0.57613663999458 0.75014672942355 0.60356703216172 192.217 > 121 132 Ir 0.90946997332792 0.75014672942355 0.60356703216172 192.217 > 121 133 Ir 0.09053002667208 0.00014672942355 0.14643296783828 192.217 > 133 134 Ir 0.42386336000542 0.00014672942355 0.14643296783828 192.217 > 133 135 Ir 0.75719669333875 0.00014672942355 0.14643296783828 192.217 > 133 136 Ir 0.09053002667208 0.50014672942355 0.14643296783828 192.217 > 133 137 Ir 0.42386336000542 0.50014672942355 0.14643296783828 192.217 > 133 138 Ir 0.75719669333875 0.50014672942355 0.14643296783828 192.217 > 133 139 Ir 0.09053002667208 0.00014672942355 0.64643296783828 192.217 > 133 140 Ir 0.42386336000542 0.00014672942355 0.64643296783828 192.217 > 133 141 Ir 0.75719669333875 0.00014672942355 0.64643296783828 192.217 > 133 142 Ir 0.09053002667208 0.50014672942355 0.64643296783828 192.217 > 133 143 Ir 0.42386336000542 0.50014672942355 0.64643296783828 192.217 > 133 144 Ir 0.75719669333875 0.50014672942355 0.64643296783828 192.217 > 133----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 15.8631306 0.0000000 0.5342918 0.0000000 16.6372652 0.0000000 0.5342875 0.0000000 16.3231611-------------------------- Born effective charges -------------------------- 1 P 2.2009415 0.1729608 0.5217801 0.1752330 2.2065524 -0.2742639 -0.1448630 -0.1375561 2.7337331 2 P 2.2009415 -0.1729608 0.5217801 -0.1752330 2.2065524 0.2742639 -0.1448630 0.1375561 2.7337331 3 P 2.2009415 0.1729608 0.5217801 0.1752330 2.2065524 -0.2742639 -0.1448630 -0.1375561 2.7337331 4 P 2.2009415 -0.1729608 0.5217801 -0.1752330 2.2065524 0.2742639 -0.1448630 0.1375561 2.7337331 5 P 2.9526023 -0.1853571 -0.2542493 0.0679375 2.5148328 -0.0454650 0.0624591 -0.1374307 2.4928679 6 P 2.9526023 0.1853571 -0.2542493 -0.0679375 2.5148328 0.0454650 0.0624591 0.1374307 2.4928679 7 P 2.9526023 -0.1853571 -0.2542493 0.0679375 2.5148328 -0.0454650 0.0624591 -0.1374307 2.4928679 8 P 2.9526023 0.1853571 -0.2542493 -0.0679375 2.5148328 0.0454650 0.0624591 0.1374307 2.4928679 9 Ir -5.1535438 -0.1636627 -0.2675308 -0.6596414 -4.7213852 0.4239081 0.0824039 -0.0350438 -5.2266010 10 Ir -5.1535438 0.1636627 -0.2675308 0.6596414 -4.7213852 -0.4239081 0.0824039 0.0350438 -5.2266010 11 Ir -5.1535438 -0.1636627 -0.2675308 -0.6596414 -4.7213852 0.4239081 0.0824039 -0.0350438 -5.2266010 12 Ir -5.1535438 0.1636627 -0.2675308 0.6596414 -4.7213852 -0.4239081 0.0824039 0.0350438 -5.2266010----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx)Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 9 9 9 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.73, Number of G-points: 299, Lambda: 0.31Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/205) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 3.915 ( 0.000 0.000 0.000) 0.000 4.079 ( 0.000 0.000 0.000) 0.000 4.248 ( 0.000 0.000 0.000) 0.000 4.408 ( 0.000 0.000 0.000) 0.000 4.473 ( 0.000 0.000 0.000) 0.000 4.756 ( 0.000 0.000 0.000) 0.000 5.386 ( 0.000 0.000 0.000) 0.000 6.163 ( 0.000 0.000 0.000) 0.000 6.304 ( 0.000 0.000 0.000) 0.000 8.383 ( 0.000 0.000 0.000) 0.000 8.415 ( 0.000 0.000 0.000) 0.000 8.485 ( 0.000 0.000 0.000) 0.000 8.965 ( 0.000 0.000 0.000) 0.000 9.421 ( 0.000 0.000 0.000) 0.000 9.434 ( 0.000 0.000 0.000) 0.000 9.553 ( 0.000 0.000 0.000) 0.000 9.821 ( 0.000 0.000 0.000) 0.000 10.634 ( 0.000 0.000 0.000) 0.000 10.846 ( 0.000 0.000 0.000) 0.000 10.889 ( 0.000 0.000 0.000) 0.000 10.910 ( 0.000 0.000 0.000) 0.000 11.426 ( 0.000 0.000 0.000) 0.000 11.639 ( 0.000 0.000 0.000) 0.000 11.646 ( 0.000 0.000 0.000) 0.000 11.712 ( 0.000 0.000 0.000) 0.000 13.263 ( 0.000 0.000 0.000) 0.000 13.825 ( 0.000 0.000 0.000) 0.000 13.852 ( 0.000 0.000 0.000) 0.000 13.984 ( 0.000 0.000 0.000) 0.000 14.238 ( 0.000 0.000 0.000) 0.000 14.350 ( 0.000 0.000 0.000) 0.000 14.777 ( 0.000 0.000 0.000) 0.000 15.768 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/205) =======================q-point: ( 0.11 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.690 ( 27.479 0.000 19.965) 33.966 0.717 ( 34.863 0.000 4.738) 35.184 1.350 ( 58.653 0.000 22.766) 62.916 4.001 ( 9.656 0.000 -4.450) 10.632 4.043 ( -2.696 0.000 -2.696) 3.813 4.313 ( 2.786 0.000 4.708) 5.471 4.358 ( -3.450 0.000 1.905) 3.941 4.510 ( 4.355 0.000 -1.530) 4.616 4.787 ( 2.785 0.000 0.919) 2.933 5.366 ( -2.423 0.000 0.956) 2.605 6.109 ( -3.894 0.000 -4.461) 5.921 6.251 ( -3.408 0.000 -4.974) 6.030 8.365 ( -2.347 0.000 1.786) 2.949 8.414 ( -0.114 0.000 0.068) 0.133 8.487 ( 0.019 0.000 -0.245) 0.246 9.022 ( 3.234 0.000 -16.870) 17.177 9.455 ( 2.441 0.000 2.445) 3.455 9.463 ( 1.629 0.000 3.385) 3.757 9.802 ( -2.747 0.000 2.128) 3.475 10.650 ( 1.800 0.000 -0.485) 1.864 10.740 ( -13.491 0.000 28.827) 31.828 10.842 ( -0.574 0.000 0.698) 0.904 10.851 ( -4.490 0.000 4.480) 6.343 10.998 ( 0.354 0.000 -0.758) 0.836 11.438 ( 1.436 0.000 -0.517) 1.526 11.480 ( -8.150 0.000 -5.646) 9.915 11.813 ( 3.127 0.000 3.873) 4.978 11.874 ( 1.970 0.000 -4.918) 5.298 13.275 ( 1.405 0.000 -0.737) 1.586 13.861 ( 0.146 0.000 -1.322) 1.330 13.875 ( 4.531 0.000 1.278) 4.708 14.033 ( 3.113 0.000 3.345) 4.569 14.313 ( 2.535 0.000 -12.360) 12.617 14.371 ( 1.455 0.000 1.482) 2.077 14.762 ( -0.661 0.000 -2.307) 2.400 15.750 ( -1.889 0.000 0.379) 1.927======================= Grid point 2 (3/205) =======================q-point: ( 0.22 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.361 ( 26.408 0.000 18.349) 32.157 1.416 ( 33.503 0.000 4.477) 33.801 2.576 ( 48.790 0.000 21.997) 53.519 3.935 ( -4.708 0.000 -5.495) 7.236 4.046 ( -7.608 0.000 -4.103) 8.644 4.356 ( 13.037 0.000 -4.494) 13.790 4.510 ( 6.441 0.000 12.891) 14.411 4.613 ( 7.754 0.000 -2.842) 8.258 4.876 ( 5.006 0.000 2.262) 5.494 5.308 ( -4.754 0.000 1.950) 5.139 5.945 ( -7.832 0.000 -8.672) 11.685 6.102 ( -6.213 0.000 -9.252) 11.145 8.328 ( -2.967 0.000 2.436) 3.839 8.416 ( 0.402 0.000 0.245) 0.471 8.471 ( -1.613 0.000 -0.172) 1.622 8.926 ( -2.736 0.000 -9.248) 9.645 9.543 ( 3.807 0.000 3.595) 5.236 9.544 ( 3.193 0.000 4.957) 5.896 9.752 ( -4.401 0.000 3.538) 5.647 10.685 ( -6.933 0.000 9.759) 11.971 10.691 ( 2.808 0.000 -1.116) 3.021 10.810 ( -5.618 0.000 10.164) 11.613 10.839 ( -0.538 0.000 1.620) 1.707 10.980 ( -0.417 0.000 -3.118) 3.146 11.284 ( -7.220 0.000 -5.234) 8.918 11.470 ( 2.213 0.000 -0.558) 2.282 11.866 ( 0.001 0.000 2.331) 2.331 11.867 ( 0.246 0.000 -2.865) 2.876 13.301 ( 1.812 0.000 -0.873) 2.011 13.862 ( 1.569 0.000 -2.941) 3.333 14.007 ( 7.300 0.000 2.203) 7.625 14.129 ( 2.967 0.000 4.366) 5.279 14.260 ( 0.220 0.000 -6.717) 6.720 14.418 ( 1.587 0.000 2.324) 2.814 14.718 ( -1.308 0.000 -4.062) 4.267 15.705 ( -2.983 0.000 0.625) 3.048======================= Grid point 3 (4/205) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.977 ( 23.481 0.000 15.138) 27.937 2.075 ( 30.746 0.000 4.055) 31.012 3.398 ( 10.124 0.000 10.973) 14.930 3.752 ( -17.600 0.000 -3.438) 17.933 3.931 ( 18.498 0.000 1.709) 18.576 4.634 ( 16.951 0.000 -7.337) 18.470 4.744 ( 5.748 0.000 15.243) 16.291 4.756 ( 9.200 0.000 -3.718) 9.923 5.012 ( 6.291 0.000 4.950) 8.005 5.212 ( -6.921 0.000 2.497) 7.358 5.676 ( -11.807 0.000 -11.584) 16.540 5.878 ( -8.151 0.000 -12.217) 14.687 8.291 ( -2.476 0.000 2.040) 3.208 8.427 ( -2.495 0.000 -0.115) 2.497 8.440 ( 1.969 0.000 0.651) 2.074 8.783 ( -5.845 0.000 -5.543) 8.055 9.630 ( 1.613 0.000 2.165) 2.700 9.650 ( 3.619 0.000 4.335) 5.647 9.705 ( -2.421 0.000 4.225) 4.870 10.635 ( -3.504 0.000 3.920) 5.258 10.736 ( 2.820 0.000 -1.366) 3.134 10.780 ( -5.169 0.000 9.179) 10.534 10.843 ( -0.848 0.000 2.090) 2.255 10.950 ( 0.502 0.000 -4.044) 4.075 11.138 ( -3.999 0.000 -3.895) 5.582 11.509 ( 1.993 0.000 -0.298) 2.015 11.839 ( -1.150 0.000 -1.907) 2.227 11.860 ( -1.492 0.000 1.046) 1.822 13.328 ( 1.365 0.000 -0.570) 1.479 13.872 ( 1.540 0.000 -2.586) 3.010 14.154 ( -2.136 0.000 0.785) 2.276 14.175 ( 7.782 0.000 2.498) 8.173 14.276 ( 4.115 0.000 -1.172) 4.279 14.457 ( 0.223 0.000 2.561) 2.570 14.652 ( -1.828 0.000 -4.865) 5.197 15.652 ( -2.748 0.000 0.587) 2.810======================= Grid point 4 (5/205) =======================q-point: ( 0.44 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.453 ( 13.686 0.000 8.016) 15.861 2.637 ( 22.030 0.000 2.957) 22.228 3.299 ( -8.861 0.000 -2.864) 9.312 3.361 ( -17.703 0.000 -2.748) 17.915 4.528 ( 23.930 0.000 12.008) 26.774 4.829 ( 6.921 0.000 -4.238) 8.115 4.894 ( 7.350 0.000 -3.847) 8.296 4.917 ( 2.249 0.000 6.572) 6.947 5.063 ( -10.540 0.000 -0.304) 10.544 5.201 ( 6.623 0.000 8.631) 10.879 5.348 ( -10.837 0.000 -8.078) 13.517 5.625 ( -7.223 0.000 -10.677) 12.891 8.268 ( -0.935 0.000 0.818) 1.242 8.387 ( -1.270 0.000 -0.070) 1.272 8.508 ( 4.293 0.000 1.462) 4.535 8.631 ( -6.145 0.000 -3.004) 6.840 9.627 ( -1.179 0.000 0.811) 1.431 9.729 ( 1.702 0.000 1.732) 2.428 9.730 ( 0.748 0.000 1.735) 1.890 10.608 ( -1.267 0.000 1.251) 1.781 10.755 ( -2.009 0.000 3.143) 3.730 10.780 ( 2.468 0.000 -0.861) 2.614 10.827 ( -1.986 0.000 1.168) 2.304 10.941 ( 0.533 0.000 -1.550) 1.639 11.073 ( -0.811 0.000 -1.417) 1.633 11.537 ( 0.857 0.000 -0.064) 0.860 11.805 ( -0.861 0.000 -0.708) 1.115 11.839 ( -0.842 0.000 0.273) 0.885 13.343 ( 0.500 0.000 -0.185) 0.533 13.879 ( 0.576 0.000 -1.021) 1.172 14.121 ( -0.984 0.000 -0.061) 0.986 14.328 ( 5.621 0.000 1.604) 5.846 14.335 ( 1.717 0.000 0.102) 1.720 14.454 ( -2.224 0.000 1.422) 2.640 14.587 ( -1.061 0.000 -3.001) 3.183 15.616 ( -1.128 0.000 0.239) 1.153======================= Grid point 9 (6/205) =======================q-point: ( 0.00 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.605 ( 0.000 31.670 0.000) 31.670 0.820 ( 0.000 42.204 0.000) 42.204 1.376 ( 0.000 69.068 0.000) 69.068 3.962 ( 0.000 4.645 0.000) 4.645 4.088 ( 0.000 -2.500 0.000) 2.500 4.207 ( 0.000 -1.208 0.000) 1.208 4.469 ( 0.000 6.279 0.000) 6.279 4.515 ( 0.000 3.782 0.000) 3.782 4.730 ( 0.000 -5.122 0.000) 5.122 5.372 ( 0.000 -1.517 0.000) 1.517 6.142 ( 0.000 -2.188 0.000) 2.188 6.279 ( 0.000 -2.530 0.000) 2.530 8.344 ( 0.000 -3.957 0.000) 3.957 8.370 ( 0.000 -4.504 0.000) 4.504 8.931 ( 0.000 -3.467 0.000) 3.467 8.946 ( 0.000 -4.530 0.000) 4.530 9.334 ( 0.000 -5.750 0.000) 5.750 9.511 ( 0.000 -3.960 0.000) 3.960 9.556 ( 0.000 4.559 0.000) 4.559 9.821 ( 0.000 -0.374 0.000) 0.374 10.845 ( 0.000 -0.158 0.000) 0.158 10.874 ( 0.000 -1.557 0.000) 1.557 10.934 ( 0.000 2.394 0.000) 2.394 11.112 ( 0.000 3.164 0.000) 3.164 11.338 ( 0.000 -6.686 0.000) 6.686 11.482 ( 0.000 -8.892 0.000) 8.892 11.902 ( 0.000 11.886 0.000) 11.886 11.970 ( 0.000 12.113 0.000) 12.113 13.263 ( 0.000 -0.133 0.000) 0.133 13.789 ( 0.000 -3.652 0.000) 3.652 13.856 ( 0.000 -0.048 0.000) 0.048 14.088 ( 0.000 7.985 0.000) 7.985 14.249 ( 0.000 1.400 0.000) 1.400 14.522 ( 0.000 5.084 0.000) 5.084 14.740 ( 0.000 -4.045 0.000) 4.045 15.731 ( 0.000 -3.703 0.000) 3.703======================= Grid point 10 (7/205) =======================q-point: ( 0.11 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.016 ( 16.558 28.172 19.210) 37.906 1.255 ( 27.710 29.524 12.873) 42.488 1.747 ( 38.420 45.023 6.965) 59.596 4.028 ( 6.500 2.009 -3.510) 7.655 4.092 ( 1.049 4.420 -2.982) 5.434 4.256 ( 4.002 -5.368 5.639) 8.754 4.414 ( -5.161 6.224 0.027) 8.086 4.555 ( 4.627 4.027 -1.207) 6.251 4.742 ( 1.875 -4.488 0.957) 4.957 5.359 ( -1.721 -0.841 1.031) 2.176 6.089 ( -3.695 -2.048 -4.540) 6.201 6.226 ( -3.417 -2.584 -5.118) 6.674 8.327 ( -2.372 -4.148 1.632) 5.049 8.368 ( -0.179 -4.539 -0.130) 4.544 8.564 ( -9.454 4.233 -1.157) 10.423 8.976 ( 2.248 -4.646 -14.961) 15.826 9.356 ( 2.581 -4.924 3.232) 6.431 9.558 ( 1.463 4.376 3.369) 5.713 9.794 ( -2.506 -1.324 2.449) 3.746 10.119 ( 14.176 -25.896 22.630) 37.198 10.809 ( -4.141 -0.810 0.340) 4.233 10.848 ( -1.001 0.827 -0.496) 1.390 10.920 ( -3.278 2.528 4.609) 6.195 11.084 ( -1.834 5.466 0.169) 5.768 11.316 ( -1.239 -5.559 -1.447) 5.876 11.509 ( -0.248 -9.651 -0.941) 9.700 11.777 ( -3.043 12.732 -0.634) 13.106 12.083 ( 4.118 11.331 -1.297) 12.125 13.275 ( 1.319 -0.093 -0.445) 1.395 13.812 ( 3.523 -3.606 -0.979) 5.135 13.863 ( 0.293 -0.502 0.274) 0.643 14.128 ( 3.554 7.208 1.347) 8.149 14.262 ( 0.664 -0.317 -1.809) 1.953 14.500 ( 0.070 7.752 -2.076) 8.026 14.729 ( -0.135 -3.658 -2.636) 4.511 15.714 ( -1.866 -3.688 0.341) 4.148======================= Grid point 11 (8/205) =======================q-point: ( 0.22 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.538 ( 21.239 19.263 18.827) 34.302 1.813 ( 25.638 31.150 5.782) 40.756 2.725 ( 44.451 16.620 17.680) 50.643 3.985 ( -3.793 4.972 -5.523) 8.344 4.126 ( -4.659 7.502 -3.833) 9.627 4.362 ( 9.261 1.034 -4.248) 10.241 4.449 ( 6.715 -5.725 11.694) 14.650 4.672 ( 8.442 4.742 -1.945) 9.876 4.820 ( 4.448 -4.870 2.741) 7.143 5.321 ( -3.432 1.074 2.005) 4.118 5.931 ( -7.345 -1.501 -8.750) 11.523 6.074 ( -6.274 -2.752 -9.504) 11.716 8.285 ( -3.368 -4.463 2.527) 6.136 8.365 ( -0.049 -5.096 0.168) 5.099 8.456 ( -3.405 -1.656 -0.422) 3.810 8.871 ( -3.401 -5.371 -8.734) 10.802 9.455 ( 4.007 -4.115 4.790) 7.479 9.632 ( 2.926 3.995 4.004) 6.368 9.748 ( -4.259 -0.598 3.692) 5.668 10.399 ( 4.275 -18.401 12.247) 22.513 10.725 ( -4.116 0.273 -0.024) 4.125 10.823 ( -2.122 0.378 1.567) 2.665 10.898 ( -1.953 3.183 3.688) 5.248 11.047 ( -1.279 4.803 -2.390) 5.515 11.245 ( -4.294 -2.831 -2.070) 5.544 11.496 ( 1.190 -2.232 -1.340) 2.862 11.752 ( -1.088 3.817 0.054) 3.969 12.112 ( 0.388 13.281 -1.195) 13.341 13.301 ( 1.664 -0.071 -0.611) 1.774 13.860 ( 2.056 -0.497 -3.626) 4.198 13.919 ( 5.169 -5.763 2.522) 8.142 14.226 ( 2.763 6.482 3.677) 7.948 14.239 ( 0.436 -0.266 -2.585) 2.635 14.507 ( 1.140 7.417 -0.014) 7.504 14.696 ( -0.467 -2.429 -4.425) 5.069 15.669 ( -2.870 -3.576 0.595) 4.623======================= Grid point 12 (9/205) =======================q-point: ( 0.33 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.088 ( 21.062 13.236 15.803) 29.471 2.356 ( 26.011 24.189 4.140) 35.760 3.450 ( 7.651 6.034 8.265) 12.777 3.867 ( -15.665 10.599 -2.747) 19.112 4.015 ( 19.017 9.129 2.215) 21.210 4.586 ( 14.376 -3.029 -7.596) 16.539 4.680 ( 5.865 -6.139 13.827) 16.225 4.842 ( 10.504 5.466 -2.375) 12.077 4.951 ( 5.766 -4.749 5.961) 9.557 5.258 ( -4.846 3.922 2.493) 6.715 5.674 ( -10.950 -0.271 -11.628) 15.974 5.846 ( -8.381 -3.187 -12.625) 15.485 8.242 ( -2.766 -4.931 2.251) 6.085 8.370 ( -0.568 -5.573 0.392) 5.615 8.401 ( -0.885 -4.068 -0.090) 4.165 8.721 ( -6.181 -6.016 -5.389) 10.170 9.566 ( 3.410 -3.508 4.031) 6.339 9.676 ( -2.610 -0.123 2.252) 3.450 9.739 ( 1.837 3.093 4.587) 5.829 10.537 ( 2.660 -13.230 7.967) 15.671 10.658 ( -2.879 0.785 0.579) 3.040 10.796 ( -1.586 0.758 1.222) 2.141 10.884 ( -2.019 2.833 0.907) 3.595 11.005 ( -0.324 2.454 -2.882) 3.799 11.159 ( -2.572 2.431 -1.415) 3.812 11.529 ( 2.766 -0.659 -1.084) 3.044 11.712 ( -3.018 -0.200 0.043) 3.025 12.093 ( -1.160 13.801 -0.923) 13.880 13.326 ( 1.219 -0.170 -0.433) 1.304 13.867 ( 1.139 -1.200 -2.461) 2.965 14.043 ( 5.318 -6.641 1.152) 8.586 14.198 ( -1.275 0.574 -0.075) 1.400 14.338 ( 3.924 4.477 3.198) 6.758 14.527 ( 0.479 6.023 0.053) 6.042 14.648 ( -0.592 -0.023 -4.676) 4.713 15.620 ( -2.529 -3.237 0.585) 4.149======================= Grid point 13 (10/205) =======================q-point: ( 0.44 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.543 ( 13.254 9.985 9.015) 18.885 2.839 ( 18.427 18.877 1.783) 26.440 3.348 ( -6.839 6.360 -2.338) 9.627 3.507 ( -17.218 12.922 -2.913) 21.724 4.588 ( 22.739 6.054 11.492) 26.187 4.748 ( 7.420 -4.445 -6.273) 10.685 4.819 ( -0.879 -6.821 7.153) 9.923 5.010 ( 7.158 7.029 -3.248) 10.545 5.134 ( 3.375 -4.867 3.476) 6.868 5.168 ( -4.447 6.431 6.273) 10.024 5.368 ( -9.296 1.649 -7.557) 12.094 5.581 ( -7.705 -4.296 -11.520) 14.510 8.217 ( -1.028 -5.142 0.940) 5.328 8.337 ( -1.322 -4.841 -0.110) 5.019 8.447 ( 3.853 -6.464 1.368) 7.648 8.566 ( -6.061 -6.017 -2.969) 9.041 9.618 ( -0.411 -0.891 1.366) 1.683 9.661 ( 0.334 -3.124 1.219) 3.370 9.801 ( 1.200 3.235 1.711) 3.851 10.608 ( -0.072 -7.699 0.542) 7.718 10.646 ( 0.633 -1.706 4.503) 4.857 10.775 ( -0.734 1.432 -1.368) 2.112 10.839 ( -1.636 1.590 -0.544) 2.345 10.998 ( 0.422 1.563 -0.633) 1.738 11.125 ( -0.504 5.304 -0.560) 5.357 11.579 ( 3.087 1.026 -0.783) 3.346 11.646 ( -3.546 -3.428 0.342) 4.944 12.067 ( -0.727 13.824 -0.359) 13.848 13.340 ( 0.443 -0.278 -0.145) 0.542 13.868 ( 0.303 -2.052 -0.903) 2.262 14.112 ( 1.282 -0.591 -0.314) 1.446 14.199 ( 0.709 -6.084 0.829) 6.181 14.425 ( 2.360 2.192 3.265) 4.586 14.511 ( -1.275 4.902 -2.197) 5.521 14.617 ( 0.015 3.862 -1.666) 4.206 15.587 ( -1.004 -2.865 0.244) 3.046======================= Grid point 18 (11/205) =======================q-point: ( 0.00 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.218 ( 0.000 32.156 0.000) 32.156 1.611 ( 0.000 39.964 0.000) 39.964 2.603 ( 0.000 57.427 0.000) 57.427 3.890 ( 0.000 -15.962 0.000) 15.962 4.078 ( 0.000 7.009 0.000) 7.009 4.269 ( 0.000 4.319 0.000) 4.319 4.495 ( 0.000 -8.770 0.000) 8.770 4.638 ( 0.000 10.829 0.000) 10.829 4.721 ( 0.000 7.896 0.000) 7.896 5.323 ( 0.000 -3.692 0.000) 3.692 6.083 ( 0.000 -3.786 0.000) 3.786 6.208 ( 0.000 -4.886 0.000) 4.886 8.242 ( 0.000 -6.353 0.000) 6.353 8.254 ( 0.000 -7.129 0.000) 7.129 8.834 ( 0.000 -6.670 0.000) 6.670 8.841 ( 0.000 -5.553 0.000) 5.553 9.238 ( 0.000 -3.920 0.000) 3.920 9.419 ( 0.000 -5.270 0.000) 5.270 9.621 ( 0.000 2.043 0.000) 2.043 9.794 ( 0.000 -2.593 0.000) 2.593 10.830 ( 0.000 -2.888 0.000) 2.888 10.831 ( 0.000 -1.440 0.000) 1.440 10.995 ( 0.000 3.741 0.000) 3.741 11.189 ( 0.000 4.435 0.000) 4.435 11.230 ( 0.000 -4.001 0.000) 4.001 11.349 ( 0.000 -4.551 0.000) 4.551 12.142 ( 0.000 12.947 0.000) 12.947 12.244 ( 0.000 15.706 0.000) 15.706 13.253 ( 0.000 -1.025 0.000) 1.025 13.743 ( 0.000 -0.952 0.000) 0.952 13.826 ( 0.000 -3.552 0.000) 3.552 14.244 ( 0.000 7.794 0.000) 7.794 14.299 ( 0.000 3.703 0.000) 3.703 14.613 ( 0.000 -9.289 0.000) 9.289 14.667 ( 0.000 9.744 0.000) 9.744 15.634 ( 0.000 -6.227 0.000) 6.227======================= Grid point 19 (12/205) =======================q-point: ( 0.11 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.563 ( 17.522 27.474 19.072) 37.757 1.821 ( 19.796 32.408 8.216) 38.854 2.754 ( 15.698 52.099 1.079) 54.423 3.947 ( 4.112 -12.972 5.084) 14.527 4.169 ( 9.815 4.445 -3.993) 11.491 4.246 ( -1.232 4.614 -2.352) 5.323 4.523 ( 1.809 -8.825 2.686) 9.400 4.590 ( -4.385 11.115 -0.971) 11.988 4.754 ( 3.704 8.277 -0.381) 9.076 5.327 ( -0.138 -2.772 1.198) 3.023 6.033 ( -3.334 -3.666 -4.657) 6.800 6.153 ( -3.273 -4.868 -5.606) 8.114 8.218 ( -2.890 -6.741 2.022) 7.608 8.250 ( -0.490 -7.372 -0.466) 7.402 8.590 ( -11.827 -0.989 -0.850) 11.898 8.856 ( 0.232 -7.337 -10.899) 13.140 9.278 ( 3.092 -3.048 3.899) 5.835 9.607 ( 2.554 -0.981 8.360) 8.796 9.698 ( 4.301 -8.027 8.018) 12.133 9.823 ( 5.189 -5.725 4.939) 9.170 10.778 ( -3.469 -1.968 0.922) 4.094 10.854 ( 1.140 -0.795 -2.453) 2.820 10.974 ( -2.556 3.397 2.262) 4.816 11.174 ( -1.412 3.081 -1.788) 3.832 11.222 ( -1.290 -3.001 1.796) 3.728 11.370 ( 2.673 -3.885 -1.430) 4.928 12.055 ( -5.399 15.044 -0.296) 15.986 12.321 ( 4.747 13.522 -1.218) 14.383 13.266 ( 1.257 -0.931 0.012) 1.565 13.760 ( 2.228 -1.700 -0.597) 2.865 13.827 ( 0.324 -3.450 -0.792) 3.555 14.263 ( 1.704 5.970 -0.293) 6.216 14.302 ( -0.360 4.277 1.981) 4.727 14.606 ( 0.504 -7.251 -3.128) 7.913 14.676 ( 1.201 8.889 -0.581) 8.989 15.617 ( -1.706 -6.121 0.242) 6.359======================= Grid point 20 (13/205) =======================q-point: ( 0.22 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.006 ( 15.815 27.516 17.298) 36.145 2.369 ( 23.169 25.102 11.745) 36.122 3.230 ( 27.735 33.506 7.389) 44.119 4.083 ( 3.205 0.486 0.739) 3.325 4.215 ( 3.138 0.085 0.336) 3.157 4.366 ( 12.428 -0.220 -4.886) 13.355 4.456 ( -8.015 10.659 1.826) 13.461 4.614 ( 4.325 -9.561 3.735) 11.139 4.862 ( 7.620 8.454 -0.652) 11.401 5.333 ( -0.635 -0.181 2.278) 2.372 5.886 ( -6.410 -3.235 -8.912) 11.444 6.002 ( -5.907 -4.584 -10.416) 12.822 8.168 ( -3.981 -7.218 2.824) 8.714 8.231 ( -0.982 -8.355 -0.005) 8.413 8.412 ( -6.481 -2.554 -0.845) 7.017 8.738 ( -4.703 -8.012 -7.428) 11.895 9.392 ( 4.380 -2.298 5.473) 7.377 9.684 ( 1.345 1.008 3.032) 3.467 9.722 ( -2.369 -2.076 5.793) 6.594 10.067 ( 8.205 -15.100 10.638) 20.212 10.719 ( -2.998 -0.534 0.678) 3.120 10.843 ( -0.460 0.943 -1.344) 1.705 10.951 ( -1.197 2.692 1.791) 3.448 11.099 ( -4.022 -0.269 -2.499) 4.742 11.217 ( -0.534 1.257 1.476) 2.010 11.419 ( 3.466 -3.168 -2.134) 5.158 11.955 ( -4.858 14.175 -0.241) 14.986 12.372 ( 1.598 13.654 -1.618) 13.842 13.295 ( 1.576 -0.646 -0.100) 1.706 13.807 ( 0.063 -5.964 1.980) 6.285 13.839 ( 4.568 -1.761 -3.977) 6.307 14.265 ( -1.662 2.478 0.888) 3.114 14.342 ( 2.266 5.018 2.723) 6.142 14.591 ( 1.217 -4.065 -4.809) 6.413 14.702 ( 1.943 8.622 -0.759) 8.871 15.578 ( -2.457 -5.733 0.488) 6.257======================= Grid point 21 (14/205) =======================q-point: ( 0.33 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.450 ( 16.474 23.121 15.346) 32.272 2.861 ( 20.960 25.659 7.137) 33.892 3.648 ( 2.488 14.484 1.850) 14.812 4.102 ( -7.694 12.954 -1.104) 15.107 4.276 ( 14.716 16.269 3.121) 22.158 4.509 ( 9.252 -7.366 4.543) 12.669 4.558 ( 9.536 -3.574 -0.977) 10.230 4.750 ( 5.802 -10.193 7.530) 13.938 5.019 ( 8.241 7.249 -0.387) 10.982 5.334 ( -1.547 3.417 3.132) 4.887 5.655 ( -8.838 -2.171 -12.143) 15.175 5.771 ( -8.210 -3.745 -13.790) 16.480 8.116 ( -3.327 -7.697 2.681) 8.804 8.222 ( -0.111 -9.492 0.471) 9.504 8.307 ( -3.897 -5.058 -0.659) 6.419 8.576 ( -6.690 -8.494 -4.900) 11.871 9.512 ( 3.548 -1.902 4.756) 6.231 9.662 ( -3.118 -1.083 2.138) 3.933 9.784 ( 2.229 1.143 4.404) 5.067 10.264 ( 5.214 -14.316 6.932) 16.738 10.683 ( -1.374 1.536 1.650) 2.640 10.827 ( -0.434 1.957 -0.347) 2.035 10.940 ( -2.002 2.892 0.324) 3.533 11.012 ( -1.680 -0.955 -2.478) 3.143 11.220 ( 0.031 3.465 0.660) 3.528 11.461 ( 2.385 -4.050 -2.403) 5.279 11.861 ( -4.545 12.916 0.070) 13.692 12.366 ( -0.675 14.151 -1.337) 14.230 13.321 ( 1.111 -0.342 -0.159) 1.174 13.797 ( -0.849 -6.128 -0.164) 6.188 13.931 ( 6.102 -4.908 -1.745) 8.023 14.228 ( -3.114 1.744 1.713) 3.958 14.404 ( 1.697 2.069 2.402) 3.596 14.582 ( 1.538 -0.406 -4.455) 4.730 14.734 ( 1.719 9.193 -0.603) 9.372 15.537 ( -1.940 -5.082 0.538) 5.466======================= Grid point 22 (15/205) =======================q-point: ( 0.44 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.829 ( 10.538 19.140 8.945) 23.610 3.277 ( 15.082 24.780 2.075) 29.083 3.541 ( -3.590 13.354 -2.094) 13.986 3.806 ( -16.292 17.171 -2.944) 23.853 4.641 ( 8.011 -4.692 -5.726) 10.908 4.677 ( -0.391 -6.457 7.882) 10.197 4.781 ( 18.228 8.768 9.071) 22.168 4.972 ( 8.291 -9.094 6.227) 13.792 5.131 ( 1.500 3.136 0.472) 3.508 5.309 ( -4.537 6.489 3.485) 8.651 5.402 ( -5.048 1.737 -8.703) 10.210 5.490 ( -8.468 -3.366 -13.645) 16.408 8.086 ( -1.217 -7.921 1.204) 8.104 8.216 ( -0.950 -7.721 -0.068) 7.779 8.276 ( 1.046 -9.860 0.587) 9.932 8.429 ( -4.673 -7.841 -2.381) 9.433 9.590 ( 1.433 -1.678 2.858) 3.611 9.624 ( -1.436 -0.661 -0.204) 1.594 9.842 ( 1.001 0.805 1.672) 2.108 10.370 ( 1.885 -13.517 2.239) 13.831 10.694 ( 0.530 3.351 2.266) 4.079 10.817 ( -0.329 2.600 -0.815) 2.745 10.878 ( -2.232 2.328 -1.023) 3.383 11.004 ( 0.577 -0.282 -0.483) 0.804 11.227 ( 0.204 4.647 0.240) 4.658 11.474 ( 0.615 -5.986 -1.319) 6.161 11.795 ( -2.009 12.797 0.201) 12.955 12.342 ( -0.660 14.271 -0.517) 14.296 13.335 ( 0.393 -0.204 -0.070) 0.449 13.783 ( -0.384 -6.384 -0.185) 6.398 14.027 ( 4.192 -7.506 -1.043) 8.661 14.175 ( -3.048 1.503 1.272) 3.629 14.439 ( 0.556 0.105 0.991) 1.141 14.580 ( 0.691 2.653 -1.850) 3.308 14.755 ( 0.711 9.568 -0.214) 9.596 15.514 ( -0.705 -4.523 0.236) 4.584======================= Grid point 27 (16/205) =======================q-point: ( 0.00 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.837 ( 0.000 32.191 0.000) 32.191 2.347 ( 0.000 36.501 0.000) 36.501 3.484 ( 0.000 6.438 0.000) 6.438 3.534 ( 0.000 2.479 0.000) 2.479 4.203 ( 0.000 -8.586 0.000) 8.586 4.213 ( 0.000 6.548 0.000) 6.548 4.424 ( 0.000 3.596 0.000) 3.596 4.848 ( 0.000 9.195 0.000) 9.195 4.932 ( 0.000 12.163 0.000) 12.163 5.230 ( 0.000 -5.574 0.000) 5.574 6.004 ( 0.000 -4.143 0.000) 4.143 6.096 ( 0.000 -6.452 0.000) 6.452 8.116 ( 0.000 -6.182 0.000) 6.182 8.117 ( 0.000 -6.590 0.000) 6.590 8.713 ( 0.000 -5.378 0.000) 5.378 8.733 ( 0.000 -5.276 0.000) 5.276 9.189 ( 0.000 -1.199 0.000) 1.199 9.320 ( 0.000 -4.835 0.000) 4.835 9.637 ( 0.000 -0.134 0.000) 0.134 9.727 ( 0.000 -3.971 0.000) 3.971 10.777 ( 0.000 -2.253 0.000) 2.253 10.794 ( 0.000 -2.117 0.000) 2.117 11.067 ( 0.000 3.524 0.000) 3.524 11.180 ( 0.000 -1.467 0.000) 1.467 11.270 ( 0.000 3.582 0.000) 3.582 11.307 ( 0.000 -0.202 0.000) 0.202 12.392 ( 0.000 12.799 0.000) 12.799 12.546 ( 0.000 14.617 0.000) 14.617 13.230 ( 0.000 -0.693 0.000) 0.693 13.713 ( 0.000 -8.177 0.000) 8.177 13.763 ( 0.000 3.293 0.000) 3.293 14.352 ( 0.000 -5.454 0.000) 5.454 14.373 ( 0.000 5.389 0.000) 5.389 14.412 ( 0.000 -4.497 0.000) 4.497 14.882 ( 0.000 12.157 0.000) 12.157 15.497 ( 0.000 -7.971 0.000) 7.971======================= Grid point 28 (17/205) =======================q-point: ( 0.11 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.090 ( 16.646 27.778 14.991) 35.685 2.464 ( 10.259 33.416 5.071) 35.321 3.570 ( 7.458 10.791 3.581) 13.598 3.628 ( 7.498 -2.370 5.298) 9.482 4.203 ( 2.091 -5.946 -2.673) 6.847 4.282 ( 5.954 3.478 -1.934) 7.162 4.441 ( 2.272 4.527 -0.821) 5.131 4.821 ( -3.156 11.166 0.429) 11.611 4.952 ( 2.320 10.646 -0.117) 10.896 5.248 ( 1.463 -5.188 1.158) 5.514 5.954 ( -3.228 -4.219 -4.803) 7.162 6.045 ( -2.553 -6.188 -6.548) 9.364 8.087 ( -3.235 -6.341 2.013) 7.397 8.106 ( -1.416 -7.041 -0.251) 7.186 8.557 ( -9.782 -1.764 -1.119) 10.003 8.713 ( -2.016 -7.156 -6.934) 10.167 9.244 ( 3.657 -0.389 4.639) 5.920 9.472 ( 6.854 -8.245 12.397) 16.391 9.651 ( 0.728 -0.453 1.578) 1.796 9.744 ( 1.950 -3.798 0.440) 4.292 10.747 ( -2.142 -1.010 0.674) 2.462 10.815 ( 1.946 -2.776 -2.389) 4.148 11.043 ( -2.666 3.515 1.616) 4.698 11.150 ( -3.793 -1.486 2.482) 4.771 11.269 ( 0.847 3.627 -1.864) 4.166 11.339 ( 3.379 -0.107 -2.158) 4.010 12.342 ( -4.424 14.515 0.523) 15.183 12.582 ( 3.007 12.538 -1.216) 12.950 13.245 ( 1.477 -0.575 0.094) 1.588 13.699 ( -1.105 -7.185 -0.030) 7.270 13.784 ( 2.303 1.736 -1.544) 3.272 14.305 ( -2.836 -5.694 -0.547) 6.385 14.395 ( 0.419 4.312 1.655) 4.638 14.451 ( 4.231 -3.113 -2.049) 5.638 14.887 ( 0.745 11.939 -0.321) 11.966 15.484 ( -1.274 -7.712 0.087) 7.817======================= Grid point 29 (18/205) =======================q-point: ( 0.22 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.541 ( 15.099 27.216 16.492) 35.223 2.825 ( 19.574 23.704 10.645) 32.532 3.813 ( 12.628 13.169 5.294) 18.998 3.891 ( 12.628 -7.650 10.389) 18.053 4.226 ( 1.996 -6.343 -1.632) 6.847 4.387 ( 8.679 3.742 -7.989) 12.375 4.514 ( 4.554 5.139 1.987) 7.147 4.727 ( -6.370 14.621 0.271) 15.950 5.025 ( 4.807 7.131 0.573) 8.619 5.301 ( 2.432 -3.314 2.404) 4.762 5.809 ( -5.889 -4.275 -9.636) 12.075 5.909 ( -3.862 -4.850 -11.832) 13.358 8.029 ( -4.417 -6.653 2.793) 8.460 8.066 ( -2.350 -8.112 0.334) 8.452 8.372 ( -7.976 -1.279 -1.449) 8.207 8.581 ( -5.989 -7.897 -5.643) 11.405 9.373 ( 4.719 0.495 6.226) 7.828 9.637 ( -0.287 -5.512 7.345) 9.188 9.696 ( 2.391 -0.687 5.250) 5.810 9.840 ( 6.851 -8.357 3.272) 11.291 10.717 ( -1.352 0.458 0.901) 1.688 10.829 ( 1.536 -2.375 -2.571) 3.822 11.008 ( -2.028 3.074 1.716) 4.063 11.082 ( -4.757 -0.367 1.994) 5.171 11.274 ( 1.027 3.562 -1.509) 4.003 11.385 ( 3.207 -0.895 -3.389) 4.751 12.249 ( -5.308 15.862 0.440) 16.733 12.615 ( 1.152 10.544 -1.428) 10.702 13.282 ( 2.105 -0.101 0.040) 2.108 13.677 ( -1.212 -7.691 0.243) 7.790 13.818 ( 2.772 0.253 -2.479) 3.727 14.244 ( -3.027 -7.313 -0.568) 7.935 14.421 ( 1.151 3.967 1.077) 4.269 14.524 ( 4.414 -0.628 -1.755) 4.792 14.906 ( 1.407 11.355 -0.414) 11.449 15.455 ( -1.657 -6.993 0.263) 7.192======================= Grid point 30 (19/205) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.932 ( 13.661 26.156 13.583) 32.484 3.295 ( 19.336 19.687 10.600) 29.561 3.964 ( -0.963 16.529 -3.723) 16.971 4.221 ( 10.084 -7.702 10.345) 16.371 4.337 ( 7.490 -10.961 4.685) 14.078 4.500 ( 6.792 0.405 -4.773) 8.311 4.522 ( -4.239 7.385 2.546) 8.888 4.737 ( 10.266 13.868 2.721) 17.468 5.117 ( 2.503 1.676 1.867) 3.544 5.367 ( 1.430 -0.585 4.045) 4.330 5.597 ( -5.342 -2.259 -14.872) 15.963 5.723 ( -5.188 -1.766 -14.182) 15.204 7.969 ( -3.659 -6.926 2.783) 8.312 8.032 ( -1.342 -9.327 0.778) 9.455 8.228 ( -5.697 -2.725 -1.254) 6.438 8.414 ( -6.984 -8.068 -4.023) 11.404 9.501 ( 3.548 0.981 5.302) 6.454 9.641 ( -1.761 -0.999 2.641) 3.327 9.781 ( 1.940 -1.230 4.333) 4.905 10.007 ( 6.000 -12.102 4.325) 14.184 10.717 ( 0.363 2.025 2.030) 2.890 10.841 ( 1.374 -0.900 -1.271) 2.076 10.991 ( -1.490 2.330 0.631) 2.837 11.005 ( -3.286 0.713 0.398) 3.386 11.284 ( 0.849 3.097 -0.622) 3.271 11.403 ( 1.465 -2.049 -3.957) 4.690 12.152 ( -4.748 16.534 0.414) 17.207 12.605 ( -0.902 9.478 -1.131) 9.587 13.320 ( 1.623 0.674 -0.096) 1.760 13.657 ( -0.963 -7.841 0.361) 7.908 13.854 ( 2.697 -2.751 -2.031) 4.355 14.181 ( -2.902 -7.589 -0.464) 8.138 14.453 ( 1.434 4.137 0.566) 4.414 14.587 ( 3.045 0.739 -1.109) 3.324 14.932 ( 1.453 10.745 -0.344) 10.848 15.430 ( -1.113 -6.110 0.353) 6.220======================= Grid point 31 (20/205) =======================q-point: ( 0.44 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.244 ( 8.072 23.197 7.735) 25.750 3.720 ( 16.532 19.821 5.956) 26.489 3.845 ( -3.564 17.937 -4.053) 18.731 4.131 ( -14.644 15.582 -3.361) 21.646 4.475 ( 2.600 -11.105 3.777) 12.014 4.582 ( 3.726 -4.621 -3.742) 7.017 4.706 ( 11.082 -12.581 10.826) 19.957 5.001 ( 3.184 -0.538 3.785) 4.975 5.111 ( 1.921 3.153 0.835) 3.785 5.390 ( -1.859 3.047 2.330) 4.263 5.461 ( 0.845 3.577 -5.925) 6.972 5.496 ( -6.130 2.581 -13.460) 15.013 7.937 ( -1.288 -6.955 1.330) 7.197 8.028 ( 0.026 -10.310 0.583) 10.327 8.142 ( -2.130 -4.282 -0.557) 4.815 8.278 ( -3.721 -7.495 -1.796) 8.559 9.580 ( 1.235 1.004 2.798) 3.219 9.625 ( -0.754 0.667 0.062) 1.009 9.831 ( 0.783 -1.623 1.564) 2.386 10.112 ( 2.230 -12.891 1.597) 13.180 10.758 ( 1.523 3.187 2.315) 4.223 10.856 ( 0.391 0.958 -0.617) 1.205 10.925 ( -2.385 2.524 -0.893) 3.586 10.998 ( 0.096 -0.208 0.171) 0.286 11.298 ( 0.522 2.733 0.249) 2.793 11.388 ( -0.067 -2.905 -2.340) 3.730 12.086 ( -1.947 16.854 0.227) 16.968 12.579 ( -0.785 8.994 -0.434) 9.039 13.340 ( 0.571 1.198 -0.071) 1.329 13.646 ( -0.339 -7.331 0.156) 7.341 13.886 ( 1.412 -6.107 -0.728) 6.311 14.133 ( -1.490 -6.691 -0.177) 6.857 14.478 ( 0.650 4.275 0.179) 4.328 14.621 ( 1.040 1.359 -0.390) 1.756 14.951 ( 0.624 10.397 -0.134) 10.417 15.418 ( -0.347 -5.512 0.166) 5.526======================= Grid point 36 (21/205) =======================q-point: ( 0.00 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.446 ( 0.000 31.013 0.000) 31.013 3.004 ( 0.000 31.597 0.000) 31.597 3.016 ( 0.000 -28.035 0.000) 28.035 3.532 ( 0.000 -21.502 0.000) 21.502 4.295 ( 0.000 7.672 0.000) 7.672 4.312 ( 0.000 3.288 0.000) 3.288 4.574 ( 0.000 14.727 0.000) 14.727 4.861 ( 0.000 -9.974 0.000) 9.974 5.131 ( 0.000 7.050 0.000) 7.050 5.177 ( 0.000 0.612 0.000) 0.612 5.944 ( 0.000 -1.278 0.000) 1.278 5.980 ( 0.000 -4.809 0.000) 4.809 8.024 ( 0.000 -2.637 0.000) 2.637 8.025 ( 0.000 -2.769 0.000) 2.769 8.644 ( 0.000 -1.588 0.000) 1.588 8.654 ( 0.000 -2.584 0.000) 2.584 9.191 ( 0.000 1.409 0.000) 1.409 9.239 ( 0.000 -3.456 0.000) 3.456 9.633 ( 0.000 0.245 0.000) 0.245 9.660 ( 0.000 -2.620 0.000) 2.620 10.752 ( 0.000 -0.359 0.000) 0.359 10.761 ( 0.000 -1.205 0.000) 1.205 11.124 ( 0.000 2.306 0.000) 2.306 11.157 ( 0.000 -1.249 0.000) 1.249 11.317 ( 0.000 1.163 0.000) 1.163 11.318 ( 0.000 0.716 0.000) 0.716 12.615 ( 0.000 9.776 0.000) 9.776 12.718 ( 0.000 1.095 0.000) 1.095 13.292 ( 0.000 8.739 0.000) 8.739 13.515 ( 0.000 -12.153 0.000) 12.153 13.878 ( 0.000 8.827 0.000) 8.827 14.099 ( 0.000 -13.788 0.000) 13.788 14.444 ( 0.000 1.916 0.000) 1.916 14.446 ( 0.000 1.623 0.000) 1.623 15.115 ( 0.000 11.820 0.000) 11.820 15.326 ( 0.000 -9.958 0.000) 9.958======================= Grid point 37 (22/205) =======================q-point: ( 0.11 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.626 ( 12.881 27.746 11.117) 32.547 3.058 ( 5.803 18.818 3.270) 19.962 3.169 ( 10.041 -14.555 9.558) 20.101 3.592 ( 4.835 -21.135 3.304) 21.931 4.302 ( 1.716 8.036 -2.680) 8.643 4.345 ( 4.294 1.677 -3.388) 5.721 4.628 ( 5.239 15.338 0.146) 16.209 4.893 ( 2.583 -7.419 0.834) 7.900 5.120 ( -1.843 6.610 1.613) 7.049 5.183 ( 0.598 -0.701 0.482) 1.040 5.894 ( -2.752 -1.108 -5.864) 6.572 5.933 ( -1.766 -4.759 -7.185) 8.797 7.997 ( -3.053 -2.514 1.364) 4.184 8.003 ( -2.461 -3.136 0.523) 4.020 8.545 ( -7.104 0.888 -2.150) 7.475 8.597 ( -4.476 -4.560 -4.006) 7.542 9.265 ( 4.408 2.541 5.874) 7.772 9.341 ( 5.474 -5.397 8.317) 11.325 9.648 ( 1.075 0.466 1.223) 1.694 9.678 ( 1.793 -2.679 0.309) 3.239 10.742 ( -0.629 0.520 0.037) 0.817 10.767 ( 0.755 -1.989 -1.007) 2.354 11.100 ( -2.787 2.276 1.780) 4.014 11.131 ( -3.269 -1.023 2.352) 4.155 11.323 ( 1.738 1.909 -2.612) 3.672 11.341 ( 2.626 -0.139 -2.415) 3.570 12.593 ( -2.488 11.021 0.863) 11.332 12.719 ( -0.155 -0.283 0.080) 0.333 13.305 ( 1.633 8.199 -0.806) 8.398 13.514 ( 0.179 -11.401 -0.803) 11.431 13.878 ( 0.543 7.946 -1.438) 8.093 14.083 ( -0.829 -12.832 -1.940) 13.004 14.458 ( 0.910 2.068 0.893) 2.429 14.468 ( 2.086 1.026 0.598) 2.401 15.115 ( 0.143 11.470 -0.231) 11.473 15.319 ( -0.599 -9.603 -0.087) 9.622======================= Grid point 38 (23/205) =======================q-point: ( 0.22 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.033 ( 16.421 23.811 15.079) 32.619 3.272 ( 12.083 18.369 6.847) 23.028 3.520 ( 15.609 -14.965 14.868) 26.242 3.767 ( 8.991 -19.907 6.965) 22.927 4.309 ( 1.571 8.908 -5.144) 10.406 4.406 ( 5.291 -1.762 -6.239) 8.368 4.761 ( 6.929 15.584 1.098) 17.090 4.940 ( 0.062 2.514 1.291) 2.826 5.098 ( -1.200 3.051 2.585) 4.175 5.213 ( 1.522 -5.692 2.424) 6.372 5.761 ( -3.412 0.327 -11.893) 12.378 5.818 ( -1.891 -4.549 -12.616) 13.543 7.936 ( -4.323 -2.482 2.147) 5.427 7.947 ( -3.610 -3.708 1.174) 5.306 8.376 ( -7.982 1.949 -2.383) 8.555 8.449 ( -7.162 -5.568 -3.811) 9.839 9.414 ( 4.991 3.794 7.503) 9.777 9.514 ( 4.164 -6.367 9.401) 12.094 9.693 ( 2.145 0.680 2.320) 3.232 9.732 ( 3.455 -3.536 0.391) 4.959 10.737 ( 0.062 1.553 0.442) 1.616 10.776 ( 1.168 -2.577 -0.884) 2.964 11.058 ( -2.806 1.968 2.056) 3.997 11.080 ( -3.690 -0.350 2.459) 4.448 11.334 ( 1.675 2.501 -3.325) 4.486 11.369 ( 2.407 -1.127 -3.869) 4.694 12.537 ( -3.996 13.173 1.023) 13.803 12.705 ( -1.580 -2.679 0.226) 3.119 13.339 ( 2.405 6.861 -1.069) 7.349 13.510 ( 0.219 -9.511 -1.078) 9.575 13.872 ( 0.166 5.820 -2.086) 6.185 14.042 ( -1.514 -11.182 -2.530) 11.564 14.493 ( 1.839 3.031 1.063) 3.701 14.526 ( 3.089 -0.370 0.704) 3.189 15.120 ( 0.526 10.611 -0.285) 10.627 15.306 ( -0.581 -8.705 -0.031) 8.725======================= Grid point 39 (24/205) =======================q-point: ( 0.33 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.423 ( 12.812 23.882 11.446) 29.420 3.618 ( 16.148 11.714 9.666) 22.168 3.955 ( 15.984 -14.424 14.671) 26.053 4.024 ( 10.353 -14.987 10.152) 20.853 4.271 ( -0.721 11.519 -7.104) 13.553 4.441 ( 3.176 -5.871 -6.639) 9.415 4.773 ( -8.200 13.718 -0.209) 15.984 4.962 ( -0.632 -0.674 1.845) 2.064 5.119 ( 2.893 6.087 3.258) 7.486 5.292 ( 3.903 -7.319 4.496) 9.435 5.614 ( -0.371 3.322 -15.117) 15.483 5.681 ( -1.566 -2.950 -14.351) 14.735 7.875 ( -3.423 -2.325 2.301) 4.735 7.894 ( -2.606 -4.415 1.487) 5.338 8.213 ( -6.718 1.355 -1.997) 7.138 8.280 ( -7.067 -5.471 -2.953) 9.413 9.550 ( 3.233 3.799 6.151) 7.920 9.616 ( 0.825 -2.214 5.039) 5.565 9.759 ( 2.140 -0.058 2.824) 3.544 9.819 ( 4.565 -6.796 1.079) 8.257 10.759 ( 1.518 2.304 1.640) 3.210 10.805 ( 2.047 -2.396 0.278) 3.163 11.024 ( -2.213 0.977 1.262) 2.729 11.026 ( -3.238 0.801 0.904) 3.456 11.336 ( 0.990 2.248 -2.793) 3.719 11.371 ( 1.097 -1.537 -4.205) 4.609 12.463 ( -4.015 14.786 0.777) 15.341 12.664 ( -2.547 -4.463 0.178) 5.142 13.376 ( 1.997 5.555 -0.801) 5.957 13.509 ( 0.361 -7.551 -0.699) 7.592 13.855 ( -0.327 3.607 -1.689) 3.996 13.994 ( -1.447 -9.999 -1.925) 10.285 14.538 ( 1.840 3.861 0.713) 4.336 14.587 ( 2.503 -1.135 0.399) 2.777 15.131 ( 0.745 9.708 -0.195) 9.739 15.299 ( -0.169 -7.726 0.065) 7.728======================= Grid point 40 (25/205) =======================q-point: ( 0.44 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.688 ( 6.384 22.098 5.972) 23.764 3.979 ( 12.164 0.969 6.376) 13.768 4.186 ( -1.894 15.396 -4.839) 16.250 4.227 ( 6.104 -2.779 3.892) 7.754 4.341 ( 5.499 -3.982 7.366) 10.018 4.466 ( 6.162 -11.924 2.910) 13.734 4.559 ( -7.790 7.452 -3.910) 11.468 4.795 ( -12.534 -13.719 -4.688) 19.165 5.296 ( 7.770 9.284 6.975) 13.972 5.410 ( 2.996 -2.181 6.965) 7.889 5.513 ( -1.251 2.262 -10.023) 10.351 5.534 ( -2.395 0.521 -12.481) 12.719 7.845 ( -1.094 -2.039 1.177) 2.596 7.873 ( -0.647 -5.071 0.858) 5.184 8.104 ( -2.868 0.394 -0.950) 3.047 8.156 ( -3.300 -4.848 -1.337) 6.015 9.624 ( 0.823 2.831 3.035) 4.231 9.644 ( 0.153 0.786 0.716) 1.075 9.805 ( 0.911 0.226 1.023) 1.389 9.895 ( 1.956 -8.977 0.745) 9.218 10.813 ( 1.988 2.475 1.871) 3.685 10.851 ( 1.616 -1.306 0.653) 2.178 10.969 ( -2.206 1.815 -0.581) 2.915 10.992 ( -1.424 -0.641 0.002) 1.561 11.335 ( 0.393 1.303 -0.752) 1.555 11.354 ( 0.063 -0.978 -2.341) 2.538 12.408 ( -1.735 15.504 0.305) 15.604 12.623 ( -1.304 -5.249 0.058) 5.409 13.399 ( 0.731 4.947 -0.290) 5.009 13.512 ( 0.257 -6.529 -0.192) 6.537 13.840 ( -0.218 2.193 -0.624) 2.290 13.963 ( -0.600 -9.308 -0.704) 9.354 14.568 ( 0.753 4.218 0.229) 4.291 14.623 ( 0.923 -1.343 0.106) 1.633 15.142 ( 0.361 9.171 -0.065) 9.178 15.298 ( 0.019 -7.127 0.046) 7.127======================= Grid point 81 (26/205) =======================q-point: ( 0.00 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.708 ( 14.192 0.000 34.205) 37.032 0.753 ( -9.572 0.000 36.401) 37.638 1.374 ( -5.874 0.000 65.517) 65.779 3.857 ( -2.813 0.000 -5.599) 6.266 4.153 ( -4.637 0.000 5.235) 6.993 4.312 ( 4.739 0.000 5.780) 7.474 4.426 ( -0.537 0.000 -3.191) 3.236 4.440 ( -1.169 0.000 3.449) 3.641 4.812 ( -1.266 0.000 5.065) 5.221 5.368 ( 1.668 0.000 -1.623) 2.327 6.119 ( -3.008 0.000 -4.291) 5.240 6.244 ( -2.980 0.000 -5.822) 6.541 8.374 ( 2.438 0.000 -0.790) 2.562 8.387 ( 1.141 0.000 -2.642) 2.878 8.466 ( 0.234 0.000 -1.761) 1.776 9.060 ( -19.131 0.000 -4.162) 19.579 9.455 ( 2.088 0.000 1.936) 2.847 9.458 ( 1.292 0.000 3.542) 3.770 9.838 ( 1.533 0.000 1.588) 2.207 10.645 ( -0.792 0.000 1.008) 1.282 10.686 ( 29.445 0.000 -3.070) 29.605 10.829 ( 1.139 0.000 -1.410) 1.813 10.874 ( 0.788 0.000 -1.526) 1.718 11.157 ( 11.334 0.000 0.289) 11.337 11.406 ( 1.791 0.000 -1.604) 2.404 11.575 ( -7.704 0.000 -3.647) 8.524 11.656 ( -6.649 0.000 0.444) 6.663 11.794 ( 5.101 0.000 5.230) 7.306 13.302 ( -1.848 0.000 3.600) 4.046 13.846 ( 0.621 0.000 1.971) 2.066 13.879 ( -3.726 0.000 -1.250) 3.930 14.003 ( 1.894 0.000 3.324) 3.826 14.302 ( 3.400 0.000 -4.543) 5.674 14.405 ( -13.233 0.000 6.374) 14.688 14.763 ( -1.811 0.000 -1.391) 2.284 15.723 ( 2.103 0.000 -4.287) 4.775======================= Grid point 82 (27/205) =======================q-point: ( 0.11 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.101 ( 15.903 0.000 27.558) 31.817 1.387 ( 18.902 0.000 35.269) 40.015 2.115 ( 32.976 0.000 48.887) 58.969 3.867 ( 8.949 0.000 -8.762) 12.525 4.076 ( -7.550 0.000 4.844) 8.970 4.342 ( -6.122 0.000 1.816) 6.386 4.426 ( 4.261 0.000 -5.969) 7.334 4.543 ( 7.028 0.000 12.463) 14.308 4.857 ( 1.884 0.000 5.566) 5.876 5.368 ( -0.778 0.000 -0.670) 1.027 5.975 ( -6.769 0.000 -8.643) 10.978 6.095 ( -5.867 0.000 -10.120) 11.698 8.387 ( 1.003 0.000 -2.516) 2.709 8.389 ( -0.907 0.000 0.655) 1.119 8.460 ( 0.677 0.000 -2.353) 2.449 8.873 ( -3.144 0.000 -3.809) 4.939 9.534 ( 3.434 0.000 3.331) 4.784 9.535 ( 2.866 0.000 5.149) 5.893 9.853 ( -1.669 0.000 2.691) 3.166 10.653 ( 0.805 0.000 0.724) 1.083 10.776 ( -2.091 0.000 -3.051) 3.699 10.842 ( 1.088 0.000 -0.606) 1.245 10.911 ( 1.479 0.000 -4.402) 4.644 11.152 ( -6.922 0.000 5.188) 8.650 11.380 ( -8.814 0.000 -4.010) 9.683 11.439 ( 0.255 0.000 1.697) 1.716 11.726 ( 8.093 0.000 -6.314) 10.264 11.893 ( 1.460 0.000 3.780) 4.052 13.304 ( -0.732 0.000 3.286) 3.366 13.802 ( -0.943 0.000 -3.569) 3.691 13.921 ( 4.893 0.000 3.065) 5.773 14.112 ( 4.729 0.000 3.347) 5.794 14.298 ( -5.660 0.000 8.182) 9.949 14.351 ( 4.546 0.000 -3.371) 5.659 14.706 ( -2.254 0.000 -3.032) 3.778 15.713 ( 0.148 0.000 -3.921) 3.924======================= Grid point 83 (28/205) =======================q-point: ( 0.22 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.676 ( 23.542 0.000 19.436) 30.529 1.976 ( 14.492 0.000 35.870) 38.686 3.166 ( 38.593 0.000 34.571) 51.813 3.927 ( -10.967 0.000 4.147) 11.725 3.964 ( -0.246 0.000 -5.074) 5.080 4.260 ( 4.214 0.000 -3.474) 5.461 4.500 ( 8.708 0.000 -8.002) 11.826 4.800 ( 7.548 0.000 14.120) 16.011 4.976 ( 5.525 0.000 7.707) 9.483 5.327 ( -3.361 0.000 -0.050) 3.361 5.732 ( -9.835 0.000 -11.986) 15.504 5.872 ( -7.762 0.000 -12.904) 15.059 8.357 ( -2.575 0.000 0.345) 2.598 8.392 ( 1.685 0.000 -2.367) 2.906 8.445 ( -0.640 0.000 -2.246) 2.336 8.783 ( -2.841 0.000 -5.868) 6.520 9.629 ( 3.599 0.000 3.158) 4.788 9.630 ( 2.444 0.000 4.673) 5.273 9.816 ( -3.898 0.000 2.435) 4.596 10.685 ( 1.888 0.000 0.673) 2.005 10.710 ( -2.543 0.000 -1.139) 2.787 10.844 ( -3.088 0.000 -7.299) 7.925 10.864 ( 1.101 0.000 0.806) 1.365 11.086 ( -5.301 0.000 8.342) 9.884 11.193 ( -7.073 0.000 -3.606) 7.940 11.466 ( 1.475 0.000 0.841) 1.698 11.785 ( 2.868 0.000 -4.552) 5.380 11.912 ( -1.506 0.000 2.115) 2.596 13.323 ( 0.188 0.000 2.862) 2.868 13.785 ( 1.901 0.000 -4.016) 4.443 14.067 ( 7.121 0.000 3.375) 7.880 14.196 ( 0.502 0.000 0.810) 0.953 14.286 ( -1.160 0.000 9.643) 9.712 14.417 ( 4.286 0.000 -2.421) 4.923 14.634 ( -2.432 0.000 -3.937) 4.628 15.672 ( -1.208 0.000 -3.776) 3.965======================= Grid point 84 (29/205) =======================q-point: ( 0.33 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.275 ( 24.147 0.000 14.973) 28.413 2.484 ( 10.560 0.000 31.388) 33.117 3.618 ( -16.374 0.000 10.616) 19.514 3.731 ( -18.190 0.000 1.178) 18.228 4.166 ( 32.404 0.000 19.922) 38.038 4.457 ( 16.219 0.000 -9.796) 18.948 4.630 ( 10.859 0.000 -8.523) 13.804 5.000 ( 3.672 0.000 9.372) 10.066 5.191 ( 7.274 0.000 11.062) 13.239 5.222 ( -7.545 0.000 -2.201) 7.860 5.438 ( -10.105 0.000 -10.478) 14.556 5.623 ( -6.898 0.000 -11.204) 13.158 8.302 ( -2.626 0.000 -1.006) 2.812 8.405 ( -1.571 0.000 -1.857) 2.432 8.425 ( 3.634 0.000 -1.990) 4.143 8.670 ( -4.062 0.000 -5.880) 7.146 9.669 ( -1.802 0.000 1.565) 2.387 9.709 ( 2.479 0.000 1.328) 2.812 9.765 ( -1.957 0.000 1.302) 2.350 10.665 ( -2.275 0.000 0.695) 2.379 10.708 ( -2.858 0.000 -10.965) 11.332 10.732 ( 2.204 0.000 0.832) 2.355 10.885 ( -0.678 0.000 2.183) 2.286 11.065 ( -3.682 0.000 8.544) 9.304 11.071 ( -2.479 0.000 -2.452) 3.487 11.502 ( 1.782 0.000 -0.169) 1.790 11.786 ( 0.608 0.000 -3.090) 3.149 11.882 ( -2.454 0.000 1.011) 2.654 13.349 ( 0.248 0.000 2.590) 2.602 13.806 ( 3.031 0.000 -3.256) 4.449 14.170 ( -2.711 0.000 1.931) 3.328 14.227 ( 6.770 0.000 1.897) 7.031 14.368 ( 0.885 0.000 8.285) 8.332 14.476 ( 2.617 0.000 -0.328) 2.637 14.555 ( -2.029 0.000 -4.278) 4.735 15.616 ( -1.282 0.000 -4.048) 4.246======================= Grid point 85 (30/205) =======================q-point: ( 0.44 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.762 ( -7.506 0.000 20.018) 21.379 2.791 ( 14.590 0.000 11.748) 18.732 3.370 ( -16.806 0.000 3.484) 17.163 3.401 ( -8.603 0.000 12.377) 15.073 4.636 ( 9.523 0.000 -12.191) 15.470 4.713 ( -0.982 0.000 -1.196) 1.548 4.795 ( 13.358 0.000 -2.212) 13.540 5.024 ( -2.724 0.000 0.749) 2.825 5.086 ( -2.219 0.000 7.819) 8.128 5.217 ( -5.886 0.000 -8.051) 9.973 5.282 ( 0.859 0.000 1.133) 1.422 5.620 ( 7.269 0.000 10.709) 12.943 8.248 ( -1.297 0.000 -2.662) 2.961 8.369 ( -0.491 0.000 -1.502) 1.580 8.510 ( 6.025 0.000 -1.366) 6.178 8.549 ( -3.218 0.000 -4.836) 5.809 9.613 ( -2.374 0.000 -1.897) 3.039 9.730 ( -0.498 0.000 -1.657) 1.730 9.743 ( -1.501 0.000 -0.664) 1.642 10.563 ( -2.062 0.000 -10.925) 11.118 10.650 ( -0.003 0.000 -1.968) 1.968 10.775 ( 1.641 0.000 0.044) 1.642 10.865 ( -2.809 0.000 2.758) 3.936 11.061 ( 1.578 0.000 0.306) 1.607 11.066 ( -2.851 0.000 7.815) 8.319 11.527 ( 1.069 0.000 -0.860) 1.372 11.779 ( 1.037 0.000 -1.751) 2.035 11.847 ( -1.463 0.000 0.435) 1.526 13.368 ( -0.324 0.000 2.503) 2.524 13.846 ( 2.818 0.000 -1.700) 3.291 14.143 ( -1.654 0.000 2.536) 3.028 14.335 ( 3.899 0.000 -1.838) 4.310 14.423 ( -1.615 0.000 7.537) 7.708 14.438 ( -4.336 0.000 -2.412) 4.962 14.571 ( 3.780 0.000 1.656) 4.127 15.571 ( 0.237 0.000 -4.560) 4.566======================= Grid point 86 (31/205) =======================q-point: (-0.44 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.471 ( -28.208 0.000 8.962) 29.597 2.674 ( -27.245 0.000 6.339) 27.973 3.480 ( 16.873 0.000 8.764) 19.013 3.485 ( -0.651 0.000 13.376) 13.392 4.344 ( -23.200 0.000 -4.197) 23.576 4.611 ( -0.651 0.000 -16.189) 16.202 4.915 ( -0.284 0.000 -2.212) 2.230 4.977 ( -10.417 0.000 1.208) 10.487 5.019 ( 3.126 0.000 -3.426) 4.638 5.088 ( -5.211 0.000 1.052) 5.316 5.567 ( 14.898 0.000 11.913) 19.075 5.874 ( 8.157 0.000 12.012) 14.520 8.218 ( 0.881 0.000 -3.816) 3.917 8.370 ( 1.822 0.000 -1.571) 2.406 8.448 ( -2.180 0.000 -4.466) 4.970 8.675 ( 9.714 0.000 1.382) 9.811 9.577 ( 1.223 0.000 -3.618) 3.819 9.663 ( -3.610 0.000 -4.491) 5.762 9.685 ( -3.170 0.000 -2.530) 4.056 10.451 ( 0.622 0.000 -15.699) 15.711 10.650 ( 1.410 0.000 -0.915) 1.681 10.790 ( 0.261 0.000 -1.097) 1.128 10.835 ( -2.466 0.000 3.079) 3.945 11.065 ( -2.948 0.000 6.342) 6.993 11.117 ( 2.938 0.000 2.796) 4.055 11.528 ( -0.243 0.000 -1.017) 1.046 11.808 ( 2.663 0.000 -0.347) 2.686 11.836 ( 0.133 0.000 -0.025) 0.136 13.374 ( -1.102 0.000 2.586) 2.811 13.884 ( 1.664 0.000 0.015) 1.664 14.147 ( -0.081 0.000 2.804) 2.805 14.294 ( -6.657 0.000 -1.493) 6.822 14.381 ( 1.984 0.000 -5.714) 6.048 14.420 ( -4.372 0.000 7.482) 8.666 14.666 ( 3.130 0.000 4.177) 5.220 15.562 ( 2.606 0.000 -4.921) 5.568======================= Grid point 87 (32/205) =======================q-point: (-0.33 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.937 ( -32.907 0.000 9.978) 34.386 2.120 ( -33.972 0.000 8.254) 34.961 3.224 ( -33.518 0.000 -4.043) 33.761 3.870 ( 15.171 0.000 7.997) 17.150 4.073 ( -5.548 0.000 13.745) 14.823 4.427 ( -4.276 0.000 -14.829) 15.433 4.746 ( -15.736 0.000 3.103) 16.039 4.784 ( -8.423 0.000 -0.756) 8.457 4.982 ( -6.377 0.000 1.837) 6.636 5.130 ( 8.739 0.000 -5.420) 10.283 5.890 ( 9.714 0.000 9.192) 13.374 6.095 ( 6.247 0.000 8.720) 10.727 8.226 ( 2.910 0.000 -4.116) 5.040 8.395 ( -0.130 0.000 -3.786) 3.789 8.408 ( 3.159 0.000 -1.862) 3.667 8.905 ( 10.845 0.000 6.256) 12.521 9.544 ( -4.101 0.000 -5.570) 6.917 9.583 ( -3.121 0.000 -2.353) 3.909 9.614 ( 3.380 0.000 -4.080) 5.298 10.335 ( 2.047 0.000 -22.017) 22.112 10.694 ( 3.354 0.000 -0.065) 3.355 10.767 ( -1.984 0.000 -0.422) 2.028 10.816 ( -1.227 0.000 1.422) 1.878 11.050 ( -2.542 0.000 4.078) 4.805 11.226 ( 5.553 0.000 4.695) 7.272 11.505 ( -1.266 0.000 -0.889) 1.547 11.841 ( 0.320 0.000 -0.768) 0.832 11.861 ( 2.345 0.000 0.363) 2.373 13.366 ( -1.805 0.000 2.846) 3.370 13.905 ( -0.095 0.000 1.314) 1.317 14.137 ( -8.004 0.000 -1.248) 8.100 14.169 ( -0.808 0.000 2.923) 3.033 14.363 ( 0.974 0.000 -6.609) 6.681 14.390 ( -3.894 0.000 8.311) 9.178 14.744 ( 1.675 0.000 3.917) 4.260 15.594 ( 4.404 0.000 -4.986) 6.652======================= Grid point 88 (33/205) =======================q-point: (-0.22 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.390 ( -33.371 0.000 17.170) 37.529 1.516 ( -36.183 0.000 13.484) 38.614 2.338 ( -52.281 0.000 1.530) 52.303 4.138 ( -1.508 0.000 13.051) 13.137 4.151 ( 5.926 0.000 6.106) 8.508 4.271 ( -1.312 0.000 -8.435) 8.536 4.439 ( -15.449 0.000 1.576) 15.529 4.619 ( -7.177 0.000 -1.730) 7.383 4.884 ( -5.408 0.000 2.951) 6.161 5.246 ( 6.787 0.000 -4.025) 7.891 6.084 ( 4.888 0.000 4.942) 6.952 6.241 ( 3.598 0.000 4.280) 5.591 8.264 ( 3.977 0.000 -3.574) 5.347 8.380 ( 1.144 0.000 -3.247) 3.442 8.452 ( 2.538 0.000 -1.940) 3.194 9.190 ( 10.369 0.000 15.943) 19.018 9.441 ( -1.959 0.000 -4.598) 4.998 9.490 ( -3.573 0.000 -1.426) 3.847 9.688 ( 5.515 0.000 -2.354) 5.996 10.178 ( 1.535 0.000 -31.136) 31.174 10.716 ( -3.016 0.000 0.566) 3.069 10.770 ( 4.166 0.000 0.393) 4.185 10.811 ( 0.231 0.000 -0.400) 0.462 11.032 ( -1.588 0.000 1.725) 2.344 11.401 ( 7.896 0.000 6.018) 9.928 11.469 ( -1.670 0.000 -0.967) 1.930 11.822 ( -1.649 0.000 -1.915) 2.527 11.888 ( 0.225 0.000 -0.565) 0.608 13.348 ( -2.407 0.000 3.205) 4.008 13.902 ( -1.437 0.000 2.194) 2.622 13.980 ( -7.086 0.000 -0.508) 7.104 14.132 ( -5.165 0.000 3.349) 6.155 14.325 ( 0.528 0.000 -6.690) 6.710 14.432 ( 1.321 0.000 8.845) 8.943 14.788 ( 0.274 0.000 2.548) 2.562 15.648 ( 4.830 0.000 -4.863) 6.854======================= Grid point 89 (34/205) =======================q-point: (-0.11 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.893 ( -34.685 0.000 16.829) 38.552 0.969 ( -33.160 0.000 24.713) 41.356 1.434 ( -45.929 0.000 38.371) 59.848 4.045 ( -12.710 0.000 -0.507) 12.720 4.176 ( -3.069 0.000 8.462) 9.002 4.227 ( 1.344 0.000 -1.382) 1.927 4.395 ( 3.174 0.000 3.542) 4.756 4.492 ( -4.193 0.000 -2.093) 4.686 4.824 ( -3.599 0.000 4.295) 5.604 5.328 ( 4.250 0.000 -2.734) 5.054 6.158 ( 0.717 0.000 0.308) 0.780 6.294 ( 0.400 0.000 -0.768) 0.866 8.320 ( 4.017 0.000 -2.368) 4.663 8.382 ( 1.406 0.000 -2.870) 3.196 8.471 ( 0.908 0.000 -1.761) 1.981 9.391 ( 0.560 0.000 -2.921) 2.974 9.440 ( -1.242 0.000 0.945) 1.561 9.596 ( 5.810 0.000 13.231) 14.451 9.775 ( 4.230 0.000 -0.329) 4.243 9.895 ( 4.796 0.000 -18.209) 18.830 10.668 ( -2.326 0.000 1.022) 2.541 10.818 ( 1.083 0.000 -1.332) 1.717 10.850 ( 3.380 0.000 -0.175) 3.385 11.025 ( 0.560 0.000 1.257) 1.376 11.429 ( -1.315 0.000 -1.569) 2.047 11.603 ( 7.227 0.000 6.059) 9.431 11.743 ( -4.278 0.000 -2.827) 5.127 11.840 ( -4.449 0.000 -4.235) 6.142 13.322 ( -2.780 0.000 3.430) 4.415 13.870 ( -3.985 0.000 0.644) 4.037 13.892 ( -1.501 0.000 3.639) 3.936 14.048 ( -5.078 0.000 1.839) 5.401 14.294 ( 1.553 0.000 -5.882) 6.083 14.533 ( 1.173 0.000 4.352) 4.507 14.794 ( -0.936 0.000 0.635) 1.131 15.698 ( 3.902 0.000 -4.630) 6.055======================= Grid point 90 (35/205) =======================q-point: ( 0.00 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.010 ( 15.628 26.480 24.102) 39.068 1.270 ( -1.046 30.071 31.543) 43.592 1.782 ( -10.244 44.854 41.194) 61.756 3.904 ( -3.124 4.675 -5.510) 7.872 4.169 ( -1.171 -2.272 7.016) 7.467 4.271 ( 0.953 -0.639 5.222) 5.346 4.457 ( 0.284 2.840 -3.052) 4.179 4.502 ( -1.210 6.473 1.798) 6.826 4.768 ( -0.985 -4.566 4.481) 6.473 5.361 ( 1.517 -0.918 -1.022) 2.046 6.096 ( -3.082 -2.341 -4.436) 5.887 6.224 ( -3.312 -2.016 -5.337) 6.597 8.325 ( 2.150 -4.892 -2.071) 5.731 8.353 ( 0.842 -3.728 -1.317) 4.043 8.543 ( 2.925 4.312 -10.872) 12.056 9.002 ( -15.787 -5.592 -3.836) 17.182 9.347 ( 2.504 -4.963 3.050) 6.341 9.569 ( 0.865 4.942 2.004) 5.402 9.829 ( 1.769 -1.335 1.861) 2.894 10.078 ( 18.786 -26.830 21.161) 38.994 10.817 ( 2.093 -1.047 -2.299) 3.281 10.848 ( -0.200 1.986 -2.935) 3.550 10.903 ( 3.669 2.780 -1.395) 4.810 11.174 ( 2.144 2.346 3.204) 4.513 11.293 ( -0.843 -6.366 -2.294) 6.819 11.483 ( -1.209 -6.652 -0.201) 6.764 11.890 ( -8.596 13.982 -2.287) 16.571 11.935 ( 7.253 12.029 0.372) 14.051 13.296 ( -1.494 -0.641 3.084) 3.487 13.786 ( -1.746 -3.161 0.051) 3.612 13.907 ( -1.680 0.239 3.508) 3.897 14.081 ( 0.983 6.993 0.714) 7.098 14.293 ( 0.504 0.517 0.755) 1.045 14.492 ( -3.995 6.865 0.382) 7.952 14.732 ( -2.397 -3.582 -0.937) 4.410 15.685 ( 2.103 -3.783 -4.377) 6.156======================= Grid point 91 (36/205) =======================q-point: ( 0.11 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.590 ( 13.908 29.464 24.823) 40.960 1.613 ( 14.940 28.159 25.085) 40.563 2.291 ( 28.099 21.081 43.312) 55.766 3.905 ( 8.439 3.711 -8.648) 12.640 4.117 ( -7.790 3.966 4.865) 10.005 4.371 ( -1.188 -0.222 4.080) 4.255 4.477 ( 5.039 5.393 -6.108) 9.580 4.503 ( 2.401 -1.135 9.944) 10.292 4.810 ( 1.700 -4.662 5.596) 7.479 5.371 ( -0.169 0.032 0.172) 0.244 5.952 ( -6.522 -2.328 -8.840) 11.230 6.072 ( -6.228 -2.386 -9.769) 11.829 8.336 ( 0.899 -4.867 -2.312) 5.463 8.351 ( -0.849 -4.122 0.192) 4.213 8.475 ( -1.564 0.823 -5.305) 5.592 8.828 ( -3.289 -4.442 -4.181) 6.930 9.442 ( 3.807 -4.222 4.845) 7.470 9.628 ( 2.590 4.241 3.529) 6.095 9.846 ( -1.552 -0.860 2.633) 3.175 10.409 ( 6.449 -19.789 7.316) 22.061 10.784 ( -2.736 0.091 -2.118) 3.461 10.839 ( 0.790 -0.370 -0.572) 1.043 10.933 ( 0.497 1.479 -3.162) 3.526 11.158 ( -5.760 1.153 5.039) 7.739 11.256 ( -0.866 -4.804 -3.659) 6.100 11.499 ( 0.304 -5.330 0.067) 5.339 11.763 ( -2.263 11.749 -0.711) 11.986 12.046 ( 4.007 11.038 -1.060) 11.791 13.301 ( -0.379 -0.255 2.914) 2.950 13.768 ( 0.739 -2.419 -2.596) 3.624 13.918 ( 1.064 -0.995 3.888) 4.152 14.161 ( 4.342 4.806 2.547) 6.960 14.303 ( -1.396 1.727 4.231) 4.778 14.459 ( 1.078 8.603 -1.275) 8.763 14.672 ( -2.198 -3.700 -2.881) 5.179 15.675 ( 0.188 -3.825 -4.026) 5.556======================= Grid point 92 (37/205) =======================q-point: ( 0.22 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.033 ( 17.921 31.502 16.109) 39.661 2.123 ( 13.156 14.635 33.042) 38.458 3.255 ( 35.764 9.845 32.665) 49.426 3.963 ( -9.979 4.187 2.846) 11.190 4.032 ( 5.822 5.842 -6.691) 10.620 4.287 ( -2.306 3.473 -0.898) 4.264 4.572 ( 9.902 6.707 -7.451) 14.091 4.725 ( 7.333 -7.119 13.441) 16.885 4.925 ( 5.176 -4.953 7.440) 10.329 5.356 ( -2.067 2.452 1.623) 3.594 5.716 ( -9.253 -1.698 -12.127) 15.348 5.845 ( -8.127 -2.865 -12.681) 15.332 8.313 ( -2.591 -4.455 0.066) 5.154 8.341 ( 1.174 -5.167 -2.106) 5.702 8.415 ( -1.581 -2.867 -3.206) 4.583 8.730 ( -3.285 -5.238 -6.042) 8.645 9.553 ( 3.590 -3.449 4.544) 6.741 9.705 ( 1.992 3.130 3.011) 4.778 9.814 ( -3.316 -0.303 2.383) 4.095 10.530 ( 3.266 -13.240 2.510) 13.866 10.720 ( -2.519 0.552 -0.346) 2.602 10.841 ( -1.416 -0.969 -1.005) 1.988 10.891 ( -0.341 2.403 -3.586) 4.330 11.076 ( -5.728 -0.321 3.771) 6.865 11.202 ( -2.071 0.888 -1.914) 2.956 11.498 ( -0.163 -0.826 1.779) 1.968 11.744 ( -0.579 3.977 -0.798) 4.097 12.078 ( 0.698 11.858 -1.688) 11.998 13.323 ( 0.274 -0.073 2.623) 2.639 13.773 ( 2.410 -0.971 -4.029) 4.794 14.003 ( 3.654 -5.412 4.517) 7.940 14.228 ( -0.024 3.297 2.034) 3.874 14.340 ( 1.817 4.271 6.705) 8.155 14.492 ( 2.802 6.975 -1.493) 7.664 14.605 ( -1.792 -2.864 -4.183) 5.377 15.635 ( -1.039 -3.687 -3.858) 5.437======================= Grid point 93 (38/205) =======================q-point: ( 0.33 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.520 ( 19.349 22.760 15.271) 33.550 2.597 ( 10.579 11.676 27.610) 31.789 3.629 ( -15.007 2.998 9.125) 17.817 3.864 ( -16.835 11.477 2.227) 20.496 4.243 ( 30.458 7.936 18.543) 36.531 4.405 ( 14.000 -3.309 -9.475) 17.225 4.732 ( 12.189 8.205 -8.169) 16.812 4.919 ( 2.909 -7.189 9.360) 12.156 5.106 ( 5.239 -5.682 5.812) 9.670 5.318 ( -3.691 5.721 3.529) 7.669 5.436 ( -9.135 -0.382 -10.407) 13.853 5.589 ( -7.274 -3.267 -10.464) 13.156 8.254 ( -2.833 -4.820 -1.167) 5.711 8.351 ( -0.580 -5.367 -1.892) 5.720 8.375 ( 2.004 -4.986 -2.315) 5.851 8.608 ( -4.370 -6.039 -6.004) 9.571 9.636 ( 1.566 -2.560 2.711) 4.044 9.698 ( -3.477 -0.783 -0.072) 3.565 9.802 ( 0.563 2.510 1.118) 2.805 10.581 ( 1.539 -10.024 -2.179) 10.373 10.683 ( -2.244 1.225 0.398) 2.587 10.766 ( -1.334 1.536 -4.287) 4.745 10.887 ( -1.230 0.983 2.189) 2.696 11.016 ( -1.613 -1.348 1.135) 2.389 11.163 ( -1.861 4.690 2.014) 5.433 11.524 ( 1.612 -0.261 0.714) 1.782 11.710 ( -2.420 0.613 -0.194) 2.504 12.063 ( -0.483 12.617 -1.858) 12.762 13.347 ( 0.192 -0.190 2.444) 2.459 13.797 ( 2.960 -0.974 -3.428) 4.633 14.095 ( 2.192 -7.098 2.805) 7.940 14.234 ( -0.685 2.517 3.666) 4.499 14.437 ( 2.080 3.390 5.588) 6.859 14.517 ( -0.790 2.086 -0.483) 2.283 14.560 ( 1.996 3.475 -3.689) 5.447 15.583 ( -1.016 -3.276 -4.085) 5.334======================= Grid point 94 (39/205) =======================q-point: ( 0.44 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.829 ( -8.918 7.429 16.179) 19.912 2.975 ( 13.164 17.805 12.241) 25.302 3.454 ( -4.839 7.961 11.795) 15.030 3.514 ( -18.077 11.390 3.955) 21.729 4.556 ( 9.321 -5.352 -10.986) 15.369 4.783 ( -0.292 5.429 2.242) 5.881 4.879 ( 9.460 6.665 -10.328) 15.511 4.949 ( -2.092 -4.909 5.762) 7.854 5.121 ( 2.779 -0.239 3.903) 4.797 5.203 ( -8.248 0.148 -5.836) 10.105 5.306 ( 1.697 1.797 0.720) 2.574 5.597 ( 6.528 -1.827 12.479) 14.201 8.195 ( -1.443 -5.334 -2.947) 6.262 8.316 ( -0.404 -5.112 -1.720) 5.409 8.449 ( 5.609 -7.086 -1.126) 9.107 8.484 ( -3.033 -5.534 -5.142) 8.140 9.611 ( -2.736 -0.306 -2.050) 3.433 9.664 ( -0.750 -3.510 -0.785) 3.674 9.801 ( -0.864 2.665 -1.746) 3.301 10.538 ( -0.945 -5.668 -11.103) 12.501 10.628 ( -1.740 0.651 0.156) 1.865 10.774 ( 1.978 0.511 0.507) 2.105 10.864 ( -2.672 0.675 2.991) 4.067 11.029 ( 0.860 -0.690 2.123) 2.392 11.156 ( -1.153 5.243 3.302) 6.302 11.568 ( 2.708 1.336 -0.320) 3.037 11.658 ( -2.844 -2.251 0.864) 3.728 12.046 ( 0.390 13.135 -1.597) 13.238 13.365 ( -0.370 -0.367 2.385) 2.441 13.832 ( 2.571 -1.768 -1.865) 3.635 14.132 ( 0.411 -2.274 1.862) 2.968 14.248 ( -1.443 -3.871 3.088) 5.158 14.431 ( -2.359 -0.485 -2.753) 3.658 14.539 ( 0.421 7.096 4.903) 8.636 14.604 ( 2.989 3.778 0.810) 4.885 15.542 ( 0.366 -2.871 -4.581) 5.419======================= Grid point 95 (40/205) =======================q-point: (-0.44 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.517 ( -26.578 7.041 6.268) 28.201 2.880 ( -25.450 17.897 5.272) 31.557 3.511 ( 4.306 6.578 11.403) 13.850 3.643 ( 11.233 12.338 10.795) 19.873 4.412 ( -20.814 6.737 -4.354) 22.307 4.573 ( -1.678 -3.541 -13.781) 14.327 4.857 ( -3.859 -4.213 -5.264) 7.769 4.928 ( -3.779 -6.300 -1.470) 7.492 5.049 ( -5.332 4.958 0.761) 7.321 5.173 ( -0.485 5.667 0.808) 5.745 5.582 ( 14.148 1.588 11.920) 18.568 5.850 ( 7.879 -2.263 12.889) 15.275 8.162 ( 0.964 -5.642 -4.132) 7.060 8.318 ( 1.828 -5.089 -1.933) 5.742 8.389 ( -1.563 -6.133 -4.316) 7.661 8.609 ( 9.590 -6.402 1.177) 11.590 9.559 ( -0.521 -2.203 -4.195) 4.767 9.616 ( -1.945 -1.733 -2.891) 3.891 9.741 ( -2.913 2.780 -3.888) 5.598 10.409 ( -1.553 -5.362 -15.298) 16.285 10.622 ( 0.708 -0.817 0.526) 1.202 10.808 ( 0.570 1.077 0.720) 1.415 10.843 ( -1.100 1.647 1.322) 2.381 11.066 ( 0.341 -0.421 4.497) 4.530 11.163 ( -0.466 4.016 2.531) 4.770 11.592 ( -1.353 5.950 0.123) 6.104 11.650 ( 2.340 -6.307 1.035) 6.806 12.059 ( 1.970 13.588 -1.083) 13.772 13.369 ( -1.098 -0.500 2.415) 2.700 13.866 ( 1.712 -2.400 -0.254) 2.959 14.149 ( -1.246 0.859 2.970) 3.334 14.207 ( -3.297 -7.427 0.617) 8.150 14.367 ( -1.994 1.650 -2.707) 3.745 14.554 ( -1.602 8.616 2.626) 9.149 14.680 ( 2.288 1.316 4.387) 5.120 15.533 ( 2.477 -2.903 -4.980) 6.274======================= Grid point 96 (41/205) =======================q-point: (-0.33 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.006 ( -30.218 10.076 7.397) 32.702 2.363 ( -30.119 19.719 4.136) 36.237 3.341 ( -29.221 12.472 -0.450) 31.775 3.973 ( 13.322 9.723 7.235) 18.010 4.141 ( -6.331 6.980 12.695) 15.810 4.382 ( -5.079 -4.413 -13.817) 15.368 4.700 ( -11.809 -2.118 2.478) 12.251 4.825 ( -5.742 -4.434 -2.260) 7.599 4.912 ( -7.961 1.270 0.574) 8.082 5.207 ( 4.070 5.144 -2.358) 6.970 5.890 ( 8.894 -0.107 9.274) 12.850 6.073 ( 6.177 -2.076 9.322) 11.374 8.171 ( 3.286 -5.431 -4.386) 7.715 8.329 ( 1.012 -5.893 -3.539) 6.948 8.376 ( 3.074 -3.844 -2.432) 5.490 8.834 ( 10.791 -6.966 5.426) 13.943 9.476 ( -4.095 -4.064 -4.522) 7.330 9.610 ( 3.838 -0.457 -3.920) 5.505 9.643 ( -3.540 3.123 -4.236) 6.342 10.243 ( -2.285 -8.557 -18.952) 20.919 10.659 ( 2.610 -1.169 0.196) 2.867 10.809 ( -1.171 1.543 2.201) 2.931 10.837 ( 0.670 3.313 -2.146) 4.003 11.101 ( -0.996 3.477 4.909) 6.098 11.196 ( 2.860 -2.172 1.876) 4.051 11.558 ( -2.263 2.530 1.513) 3.716 11.711 ( 2.682 -0.972 0.031) 2.853 12.095 ( 2.065 13.881 -0.799) 14.056 13.359 ( -1.779 -0.657 2.518) 3.153 13.888 ( 0.151 -2.435 0.808) 2.570 14.067 ( -7.320 -3.773 2.263) 8.541 14.212 ( 1.540 -0.150 1.066) 1.879 14.304 ( -2.917 1.164 -1.523) 3.490 14.531 ( -1.986 8.950 1.754) 9.334 14.746 ( 0.800 -0.164 4.639) 4.710 15.560 ( 4.228 -3.297 -5.080) 7.386======================= Grid point 97 (42/205) =======================q-point: (-0.22 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.502 ( -29.145 14.513 14.004) 35.442 1.791 ( -32.034 20.755 3.435) 38.324 2.602 ( -43.523 26.809 6.840) 51.573 4.137 ( -2.415 -2.334 2.868) 4.417 4.235 ( -0.119 5.339 8.843) 10.330 4.263 ( 3.888 4.097 -1.188) 5.772 4.447 ( -13.792 0.975 1.977) 13.967 4.664 ( -7.451 3.544 -2.278) 8.560 4.809 ( -4.018 -6.070 1.608) 7.455 5.272 ( 4.366 1.990 -2.672) 5.492 6.071 ( 4.370 -1.355 5.017) 6.790 6.223 ( 3.478 -1.870 4.827) 6.236 8.217 ( 4.581 -4.801 -3.806) 7.650 8.329 ( 1.715 -4.956 -3.262) 6.176 8.430 ( 4.135 -2.229 -2.656) 5.397 9.105 ( 10.054 -8.360 13.293) 18.647 9.369 ( -3.212 -4.431 -3.313) 6.397 9.548 ( -2.611 2.712 -4.116) 5.578 9.679 ( 5.217 -1.430 -2.860) 6.119 10.014 ( -5.847 -11.710 -22.393) 25.937 10.715 ( 3.253 -0.403 -1.095) 3.456 10.809 ( 0.258 2.173 0.695) 2.296 10.842 ( 1.556 3.743 -1.629) 4.369 11.103 ( -1.197 6.057 2.208) 6.557 11.284 ( 3.400 -7.412 1.842) 8.360 11.541 ( -0.930 -1.219 2.919) 3.297 11.745 ( 1.271 5.064 -0.597) 5.255 12.110 ( 0.016 13.614 -1.473) 13.694 13.339 ( -2.350 -0.925 2.666) 3.672 13.879 ( -2.068 -2.761 1.341) 3.701 13.952 ( -5.749 -1.454 2.741) 6.533 14.201 ( -4.236 5.534 0.838) 7.019 14.273 ( 1.327 -2.802 -1.151) 3.308 14.521 ( -0.398 7.417 2.597) 7.869 14.779 ( -0.626 -1.456 3.495) 3.838 15.612 ( 4.782 -3.601 -4.950) 7.768======================= Grid point 98 (43/205) =======================q-point: (-0.11 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.072 ( -29.075 17.502 12.714) 36.239 1.264 ( -22.561 26.099 21.087) 40.433 1.954 ( -32.586 45.534 25.671) 61.598 4.078 ( -8.477 1.273 1.033) 8.634 4.139 ( -4.449 -4.240 -0.474) 6.164 4.259 ( -2.308 5.195 7.090) 9.088 4.444 ( 3.225 4.437 2.716) 6.121 4.534 ( -3.686 4.562 -2.632) 6.429 4.768 ( -2.335 -5.352 3.630) 6.875 5.328 ( 3.105 -0.259 -2.014) 3.710 6.138 ( 0.474 -2.026 0.303) 2.103 6.276 ( 0.173 -1.843 -0.231) 1.866 8.281 ( 4.203 -4.571 -2.741) 6.788 8.342 ( 1.800 -4.028 -2.647) 5.145 8.498 ( 6.125 1.585 -5.373) 8.300 9.311 ( -0.674 -5.771 0.699) 5.852 9.432 ( -6.969 -11.878 -7.715) 15.786 9.488 ( 13.318 -9.130 20.899) 26.410 9.637 ( -9.493 -3.583 -11.072) 15.018 9.785 ( 2.509 0.550 -0.964) 2.743 10.770 ( 4.170 1.202 -2.981) 5.266 10.830 ( 2.171 3.648 -1.476) 4.495 10.870 ( 1.516 1.640 -0.308) 2.254 11.108 ( 1.070 6.438 1.293) 6.653 11.318 ( -0.229 -7.226 -0.475) 7.245 11.540 ( -2.774 -9.147 1.970) 9.759 11.794 ( 4.922 12.846 1.145) 13.805 12.055 ( -4.355 12.770 -3.433) 13.922 13.312 ( -2.419 -0.990 2.896) 3.901 13.830 ( -3.353 -2.632 1.546) 4.534 13.906 ( -2.028 0.189 3.852) 4.358 14.121 ( -3.908 6.274 0.110) 7.393 14.283 ( 0.914 -0.647 -1.820) 2.137 14.542 ( -0.822 3.503 2.385) 4.316 14.774 ( -1.891 -2.751 1.458) 3.643 15.661 ( 3.909 -3.708 -4.713) 7.158======================= Grid point 99 (44/205) =======================q-point: ( 0.00 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.540 ( 12.514 27.567 22.621) 37.792 1.848 ( -1.307 32.310 23.400) 39.914 2.781 ( -6.024 51.912 17.910) 55.244 3.965 ( 1.565 -12.732 5.862) 14.104 4.033 ( -0.952 4.457 -3.135) 5.532 4.342 ( -5.545 3.883 6.624) 9.471 4.479 ( 1.990 -3.559 -1.495) 4.343 4.672 ( 0.712 9.612 -3.105) 10.126 4.713 ( -1.951 4.307 5.621) 7.345 5.326 ( 1.210 -2.973 0.249) 3.219 6.034 ( -3.247 -3.958 -4.698) 6.948 6.167 ( -4.257 -3.918 -3.989) 7.028 8.205 ( 2.482 -7.149 -2.880) 8.097 8.249 ( 0.734 -6.756 -0.997) 6.868 8.573 ( 3.873 -0.733 -12.705) 13.302 8.866 ( -10.125 -8.053 -3.951) 13.527 9.269 ( 2.745 -3.120 3.384) 5.359 9.628 ( 3.487 -0.572 1.346) 3.781 9.681 ( 10.297 -11.199 15.586) 21.780 9.817 ( 1.419 -3.266 2.954) 4.627 10.787 ( 1.939 -1.800 -2.154) 3.412 10.855 ( -2.896 -0.953 0.191) 3.055 10.967 ( 2.667 3.741 -2.017) 5.018 11.180 ( 2.674 -3.710 -3.987) 6.067 11.248 ( -3.077 3.641 5.036) 6.935 11.385 ( -2.047 -3.052 2.769) 4.601 12.132 ( -0.183 12.329 -0.967) 12.368 12.216 ( 0.080 15.987 -2.260) 16.147 13.276 ( -0.725 -1.454 2.190) 2.726 13.748 ( -1.924 -0.608 0.518) 2.083 13.873 ( -1.799 -4.037 4.058) 6.000 14.230 ( 0.734 7.855 -0.154) 7.891 14.332 ( 1.093 3.346 1.444) 3.804 14.614 ( -3.277 -8.383 -0.054) 9.001 14.656 ( -0.837 9.753 -0.258) 9.792 15.587 ( 2.012 -6.160 -4.433) 7.851======================= Grid point 100 (45/205) =======================q-point: ( 0.11 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.097 ( 12.675 29.173 21.172) 38.210 2.145 ( 18.416 21.426 27.704) 39.570 2.978 ( 12.275 44.437 22.213) 51.173 3.989 ( 6.159 3.699 -6.048) 9.391 4.156 ( 2.916 -5.896 7.161) 9.723 4.281 ( -2.507 -0.889 5.349) 5.974 4.532 ( 4.021 -1.053 -0.581) 4.197 4.656 ( -2.819 11.728 2.166) 12.255 4.732 ( 2.303 0.946 2.398) 3.457 5.357 ( 1.152 -1.851 1.789) 2.821 5.890 ( -5.992 -4.045 -9.379) 11.842 6.005 ( -7.251 -4.597 -8.755) 12.262 8.214 ( 0.774 -7.426 -2.780) 7.967 8.241 ( -1.246 -6.872 0.202) 6.987 8.471 ( -3.819 -1.248 -8.160) 9.095 8.716 ( -3.529 -6.765 -5.077) 9.165 9.378 ( 4.409 -2.368 5.389) 7.355 9.684 ( 2.362 1.365 2.276) 3.552 9.813 ( -1.067 -2.691 2.953) 4.135 10.037 ( 9.351 -17.391 11.647) 22.925 10.773 ( -1.945 -1.152 -1.560) 2.747 10.822 ( 0.030 -1.393 -0.236) 1.413 10.973 ( -0.199 2.834 -2.545) 3.814 11.181 ( -3.644 -0.695 0.339) 3.725 11.211 ( 0.175 1.402 -0.426) 1.476 11.399 ( 0.309 -3.429 3.784) 5.116 12.040 ( -4.919 15.411 -1.131) 16.216 12.278 ( 4.473 12.989 -2.489) 13.961 13.290 ( 0.292 -1.015 2.310) 2.540 13.737 ( 1.209 -0.467 -1.534) 2.009 13.865 ( -1.764 -4.691 3.979) 6.400 14.274 ( 2.274 6.221 1.952) 6.905 14.363 ( 0.609 4.132 3.055) 5.174 14.552 ( -2.057 -8.023 -2.143) 8.556 14.650 ( 1.037 10.379 -1.346) 10.517 15.576 ( 0.308 -6.171 -4.130) 7.431======================= Grid point 101 (46/205) =======================q-point: ( 0.22 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.495 ( 10.492 22.809 27.315) 37.100 2.650 ( 15.678 28.647 15.241) 36.038 3.569 ( 23.568 22.597 25.009) 41.128 4.079 ( -1.912 7.004 -0.109) 7.261 4.142 ( 9.531 5.242 -7.052) 12.963 4.376 ( -1.927 0.796 4.597) 5.048 4.586 ( 1.336 -1.977 10.121) 10.398 4.694 ( 6.881 0.838 0.199) 6.934 4.843 ( 7.071 1.592 2.107) 7.548 5.394 ( 0.341 0.839 3.710) 3.819 5.668 ( -7.972 -3.259 -12.364) 15.068 5.765 ( -8.879 -5.344 -12.193) 16.002 8.194 ( -1.739 -7.643 -1.450) 7.971 8.210 ( -0.822 -7.847 -0.658) 7.918 8.348 ( -3.626 -3.718 -4.920) 7.154 8.601 ( -4.112 -7.691 -6.507) 10.881 9.501 ( 3.901 -1.851 4.829) 6.478 9.734 ( -0.425 -0.256 1.984) 2.045 9.804 ( -0.571 -0.734 2.060) 2.261 10.244 ( 5.319 -15.373 6.414) 17.486 10.728 ( -1.641 0.316 0.181) 1.681 10.824 ( -0.030 -0.883 -0.678) 1.114 10.941 ( -0.234 2.932 -3.140) 4.302 11.082 ( -5.928 0.839 1.115) 6.090 11.225 ( 1.087 1.515 -1.011) 2.121 11.434 ( 0.193 -3.617 3.624) 5.124 11.946 ( -4.266 14.304 -0.515) 14.935 12.320 ( 2.076 13.007 -3.123) 13.537 13.317 ( 0.548 -0.597 2.226) 2.369 13.757 ( 2.258 -0.534 -3.371) 4.093 13.882 ( 0.416 -7.141 4.476) 8.438 14.308 ( -1.180 3.733 3.366) 5.163 14.412 ( 1.240 1.723 3.215) 3.853 14.516 ( 0.709 -3.247 -2.032) 3.895 14.674 ( 2.442 10.191 -1.745) 10.624 15.542 ( -0.577 -5.789 -3.922) 7.017======================= Grid point 102 (47/205) =======================q-point: ( 0.33 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.884 ( 7.730 18.645 24.744) 31.932 3.049 ( 15.582 28.114 11.560) 34.159 3.750 ( -11.854 9.394 7.898) 17.063 4.120 ( -11.735 14.359 1.791) 18.631 4.336 ( 8.940 -2.109 -8.257) 12.351 4.488 ( 25.754 14.876 15.106) 33.359 4.756 ( 4.341 -8.887 9.393) 13.640 4.853 ( 8.948 -0.953 -1.663) 9.151 5.021 ( 8.452 1.546 2.434) 8.930 5.391 ( -6.211 -1.878 -4.623) 7.967 5.418 ( -6.905 0.507 -8.056) 10.622 5.524 ( -4.757 -2.151 -3.724) 6.413 8.130 ( -3.169 -7.652 -1.527) 8.421 8.208 ( 0.964 -9.172 -1.375) 9.325 8.259 ( -1.713 -6.200 -3.616) 7.379 8.463 ( -4.650 -8.413 -6.350) 11.521 9.588 ( 1.939 -2.121 2.183) 3.609 9.684 ( -4.219 -0.552 0.474) 4.281 9.831 ( 1.274 0.209 -0.149) 1.300 10.351 ( 2.451 -13.119 1.781) 13.465 10.717 ( -0.520 2.119 1.176) 2.478 10.797 ( -0.647 1.594 -3.667) 4.051 10.923 ( -1.364 2.472 0.603) 2.887 11.005 ( -1.559 0.252 0.934) 1.835 11.236 ( 0.348 2.913 0.272) 2.947 11.461 ( 0.262 -4.310 2.542) 5.011 11.864 ( -4.026 12.925 0.227) 13.539 12.319 ( 0.564 13.496 -3.112) 13.862 13.342 ( 0.223 -0.391 2.146) 2.193 13.766 ( 1.022 -2.494 -2.239) 3.504 13.946 ( 3.104 -7.884 2.468) 8.825 14.285 ( -3.795 0.234 3.447) 5.132 14.433 ( 0.318 -1.083 -0.069) 1.131 14.559 ( 2.452 3.239 2.694) 4.874 14.712 ( 2.531 9.928 -1.256) 10.323 15.501 ( -0.374 -5.049 -4.049) 6.483======================= Grid point 103 (48/205) =======================q-point: ( 0.44 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.048 ( -9.095 15.058 10.581) 20.529 3.404 ( 9.981 24.910 11.311) 29.121 3.664 ( -0.503 13.644 13.373) 19.112 3.786 ( -18.436 15.658 0.536) 24.194 4.453 ( 8.411 -5.517 -10.262) 14.370 4.827 ( -3.097 -4.658 1.258) 5.733 4.903 ( -1.549 -1.486 -4.300) 4.806 4.981 ( 2.710 6.120 -1.303) 6.818 5.132 ( 3.445 4.190 1.839) 5.728 5.187 ( -0.936 -3.626 -2.554) 4.533 5.336 ( 6.274 1.947 2.484) 7.023 5.589 ( 3.206 1.628 14.385) 14.828 8.060 ( -1.756 -8.109 -3.539) 9.020 8.193 ( -0.171 -7.335 -2.046) 7.616 8.257 ( 1.415 -11.368 -2.503) 11.727 8.359 ( 0.435 -7.388 -4.268) 8.543 9.581 ( -2.171 -2.552 -3.368) 4.751 9.631 ( -1.341 0.238 0.636) 1.503 9.829 ( -0.473 0.058 -2.823) 2.863 10.359 ( -1.018 -11.262 -3.883) 11.956 10.682 ( -1.876 3.790 -2.872) 5.112 10.798 ( 2.227 1.662 -0.486) 2.821 10.894 ( -2.218 2.301 2.797) 4.247 11.023 ( 0.851 -0.039 1.961) 2.138 11.243 ( -0.196 3.629 1.070) 3.789 11.491 ( 1.026 -4.922 2.816) 5.763 11.802 ( -2.354 12.627 0.506) 12.854 12.310 ( 1.096 13.742 -2.558) 14.021 13.357 ( -0.381 -0.355 2.110) 2.174 13.770 ( 0.657 -4.563 -0.600) 4.649 14.024 ( 3.348 -7.770 0.438) 8.472 14.223 ( -4.622 -1.399 2.680) 5.523 14.434 ( -0.219 1.730 -0.373) 1.784 14.626 ( 1.153 2.775 5.123) 5.939 14.745 ( 1.403 9.653 -0.474) 9.766 15.470 ( 0.650 -4.392 -4.482) 6.309======================= Grid point 104 (49/205) =======================q-point: (-0.44 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.756 ( -21.885 17.154 2.280) 27.900 3.257 ( -23.996 19.502 -0.428) 30.925 3.729 ( 2.747 15.680 13.948) 21.165 3.924 ( 11.859 16.057 9.133) 21.952 4.458 ( -1.098 -5.679 -12.071) 13.385 4.587 ( -15.010 4.232 -4.809) 16.320 4.746 ( -7.361 -4.229 -11.163) 14.024 4.837 ( -7.957 -2.355 6.390) 10.473 5.130 ( -2.921 2.669 0.645) 4.009 5.271 ( 2.034 4.097 -0.433) 4.595 5.625 ( 11.412 2.757 12.161) 16.903 5.806 ( 6.485 -1.527 14.753) 16.188 8.020 ( 1.155 -8.434 -4.779) 9.762 8.188 ( 0.719 -8.937 -3.054) 9.471 8.233 ( 1.498 -8.378 -3.470) 9.191 8.456 ( 8.845 -8.910 0.216) 12.557 9.508 ( -2.124 -2.401 -4.919) 5.872 9.601 ( -0.784 -0.198 -2.286) 2.425 9.772 ( -2.249 0.333 -4.699) 5.220 10.252 ( -4.327 -9.814 -9.533) 14.350 10.644 ( 0.081 2.463 -1.611) 2.944 10.835 ( 1.107 1.720 0.735) 2.173 10.890 ( 0.266 2.914 0.878) 3.055 11.046 ( -0.328 -1.526 3.048) 3.424 11.243 ( -0.923 4.108 1.735) 4.554 11.535 ( -0.002 -4.086 4.225) 5.878 11.792 ( 1.510 12.860 -0.187) 12.950 12.329 ( 2.510 13.854 -1.833) 14.198 13.358 ( -1.129 -0.467 2.048) 2.385 13.784 ( 0.760 -5.770 0.595) 5.850 14.052 ( -1.898 -8.470 0.703) 8.708 14.179 ( -0.336 1.045 1.197) 1.624 14.415 ( -1.427 3.344 -0.472) 3.667 14.676 ( -0.631 1.506 6.332) 6.539 14.756 ( -0.166 8.879 0.223) 8.884 15.460 ( 2.140 -4.336 -4.924) 6.901======================= Grid point 105 (50/205) =======================q-point: (-0.33 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.318 ( -24.122 21.104 2.519) 32.149 2.752 ( -25.977 19.668 -3.346) 32.754 3.691 ( -18.387 22.432 6.565) 29.738 4.147 ( -0.581 1.039 -1.356) 1.805 4.292 ( 2.628 5.569 -4.494) 7.624 4.344 ( -7.652 7.483 7.685) 13.177 4.624 ( -1.623 -7.688 -4.106) 8.865 4.700 ( -11.038 -1.558 6.031) 12.675 5.013 ( -8.391 5.711 -0.935) 10.193 5.290 ( 0.992 3.216 -1.204) 3.574 5.881 ( 6.483 -0.892 9.782) 11.769 6.027 ( 5.594 -2.321 10.822) 12.401 8.035 ( 4.019 -8.173 -4.925) 10.353 8.178 ( 1.709 -9.621 -3.774) 10.475 8.282 ( 5.197 -5.082 -2.886) 7.820 8.663 ( 10.626 -10.178 3.318) 15.084 9.410 ( -4.044 -2.642 -4.925) 6.899 9.589 ( 2.253 -1.867 -5.015) 5.806 9.682 ( -2.828 0.857 -4.856) 5.685 10.064 ( -6.226 -8.949 -11.858) 16.108 10.657 ( 2.053 0.730 -0.847) 2.338 10.853 ( -0.274 2.975 2.266) 3.750 10.906 ( 1.524 3.486 -2.107) 4.349 11.073 ( 1.205 -5.129 2.894) 6.011 11.234 ( -1.437 5.072 2.084) 5.669 11.536 ( -3.285 -2.106 4.518) 5.970 11.856 ( 4.864 12.600 -0.590) 13.519 12.366 ( 2.180 13.813 -1.409) 14.055 13.344 ( -1.883 -0.835 1.885) 2.792 13.803 ( 0.226 -5.866 1.485) 6.055 13.985 ( -5.054 -5.134 2.356) 7.580 14.211 ( 2.485 0.791 -0.350) 2.631 14.372 ( -2.594 4.418 -0.481) 5.146 14.695 ( -1.999 3.061 5.408) 6.527 14.746 ( -1.499 4.871 1.560) 5.330 15.479 ( 3.683 -4.855 -5.081) 7.935======================= Grid point 106 (51/205) =======================q-point: (-0.22 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.886 ( -23.479 23.397 5.351) 33.576 2.217 ( -25.963 23.793 -1.554) 35.250 3.257 ( -27.074 37.307 9.335) 47.031 3.981 ( -5.733 -12.472 -5.706) 14.865 4.350 ( -2.502 5.968 10.767) 12.562 4.428 ( 4.358 6.267 0.344) 7.641 4.473 ( -12.719 2.243 2.469) 13.149 4.617 ( -0.588 -2.880 4.440) 5.325 4.837 ( -7.114 7.661 -2.994) 10.875 5.298 ( 0.828 0.223 -1.223) 1.494 6.032 ( 3.128 -2.725 5.405) 6.813 6.175 ( 2.748 -2.923 6.335) 7.499 8.093 ( 5.308 -7.615 -4.291) 10.226 8.198 ( 2.867 -8.418 -3.242) 9.465 8.378 ( 7.342 -2.756 -3.843) 8.733 8.901 ( 9.288 -12.040 7.429) 16.924 9.296 ( -3.730 -2.978 -3.495) 5.916 9.539 ( -2.667 -4.725 -10.458) 11.782 9.642 ( 1.455 -0.921 -2.265) 2.846 9.858 ( -5.788 -4.484 -7.985) 10.833 10.702 ( 3.010 -0.535 -0.951) 3.201 10.870 ( 0.984 3.699 1.124) 3.990 10.913 ( 0.613 3.433 -1.479) 3.787 11.129 ( 2.742 -8.363 -0.277) 8.806 11.226 ( -1.096 6.407 3.237) 7.261 11.489 ( -4.666 -1.730 4.270) 6.557 11.951 ( 5.269 13.432 -0.674) 14.444 12.374 ( -0.613 13.530 -1.625) 13.641 13.316 ( -2.337 -1.374 1.732) 3.217 13.810 ( -1.222 -4.145 2.431) 4.958 13.913 ( -4.205 -3.028 2.992) 5.983 14.257 ( 2.430 0.903 -0.590) 2.658 14.312 ( -3.082 5.630 -0.396) 6.431 14.688 ( -1.757 6.874 2.978) 7.695 14.721 ( -2.940 -1.925 2.905) 4.559 15.521 ( 4.437 -5.473 -4.934) 8.602======================= Grid point 107 (52/205) =======================q-point: (-0.11 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.497 ( -19.196 25.468 10.138) 33.465 1.849 ( -13.953 32.898 12.371) 37.815 2.898 ( -18.501 48.327 14.798) 53.821 3.901 ( -0.430 -14.936 1.108) 14.983 4.206 ( -12.209 6.091 -0.753) 13.665 4.375 ( -4.143 4.164 9.484) 11.156 4.469 ( 0.887 -3.951 -1.856) 4.454 4.675 ( 0.704 7.937 5.669) 9.778 4.717 ( -2.410 6.003 -3.258) 7.243 5.307 ( 0.963 -2.201 -0.763) 2.521 6.084 ( -0.105 -3.518 0.424) 3.545 6.225 ( -0.653 -3.427 1.271) 3.713 8.161 ( 4.439 -7.292 -3.391) 9.186 8.230 ( 2.404 -7.314 -2.323) 8.042 8.504 ( 9.483 -0.810 -7.457) 12.091 9.068 ( -1.874 -16.103 2.122) 16.350 9.241 ( -0.296 -3.913 -0.302) 3.936 9.402 ( 0.780 -4.706 -0.534) 4.800 9.632 ( -0.639 0.269 -0.850) 1.097 9.784 ( 0.580 -0.804 0.065) 0.993 10.752 ( 2.909 -1.341 -1.471) 3.525 10.896 ( -1.214 0.665 1.176) 1.816 10.918 ( 3.077 4.581 -2.251) 5.960 11.159 ( 2.357 -5.698 -3.608) 7.144 11.245 ( -0.716 4.619 4.668) 6.606 11.429 ( -4.527 -2.639 3.769) 6.455 12.051 ( 5.609 13.681 -0.581) 14.797 12.311 ( -4.211 13.947 -2.238) 14.739 13.286 ( -1.899 -1.624 1.882) 3.128 13.789 ( -2.848 -1.428 2.328) 3.946 13.876 ( -2.111 -3.579 3.627) 5.515 14.252 ( -2.139 6.844 -0.864) 7.222 14.297 ( 1.835 2.229 0.048) 2.887 14.675 ( -3.457 -4.833 3.451) 6.871 14.675 ( -1.560 6.821 -0.084) 6.998 15.566 ( 3.720 -5.911 -4.699) 8.417======================= Grid point 108 (53/205) =======================q-point: ( 0.00 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.074 ( 8.183 28.221 19.854) 35.462 2.485 ( -0.007 33.005 13.456) 35.642 3.582 ( 1.341 0.412 9.348) 9.453 3.647 ( 0.050 7.070 10.937) 13.023 4.136 ( -2.898 2.839 -4.079) 5.753 4.286 ( -1.224 -2.980 4.580) 5.600 4.468 ( -3.484 3.344 3.795) 6.142 4.849 ( 1.140 9.664 -2.146) 9.965 4.914 ( -0.251 11.015 0.606) 11.034 5.242 ( 0.851 -5.549 1.125) 5.726 5.955 ( -3.811 -3.845 -4.454) 7.011 6.076 ( -5.624 -5.405 -2.193) 8.102 8.071 ( 2.500 -6.213 -3.166) 7.408 8.112 ( 1.225 -6.969 -1.436) 7.220 8.544 ( 2.869 -1.564 -10.700) 11.188 8.712 ( -5.388 -7.561 -4.870) 10.484 9.231 ( 3.325 -0.656 3.893) 5.161 9.456 ( 9.050 -8.846 9.491) 15.819 9.651 ( 1.334 -0.258 1.960) 2.385 9.753 ( -0.430 -3.571 2.627) 4.454 10.758 ( 0.950 -0.953 -0.842) 1.587 10.818 ( -2.978 -2.450 1.254) 4.055 11.037 ( 2.120 3.354 -2.361) 4.617 11.134 ( 3.833 -1.164 -3.581) 5.373 11.319 ( -4.540 3.169 4.400) 7.072 11.364 ( -2.586 0.490 4.470) 5.187 12.370 ( 1.781 12.163 -2.125) 12.475 12.516 ( -0.282 14.008 -2.919) 14.312 13.251 ( -0.707 -0.340 2.114) 2.255 13.750 ( -1.590 -8.592 3.436) 9.390 13.773 ( -1.964 3.480 0.933) 4.103 14.356 ( -1.459 -0.677 0.599) 1.716 14.378 ( 2.658 -0.971 0.351) 2.851 14.432 ( -2.992 -2.395 1.528) 4.126 14.870 ( -0.109 11.847 -0.914) 11.882 15.455 ( 1.660 -7.577 -4.006) 8.730======================= Grid point 109 (54/205) =======================q-point: ( 0.11 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.545 ( 18.504 21.386 25.200) 37.879 2.675 ( 8.048 29.985 15.770) 34.821 3.730 ( 6.473 22.932 13.419) 27.347 3.843 ( 8.672 -12.979 14.100) 21.035 4.103 ( 3.732 2.252 -6.479) 7.809 4.296 ( -1.972 -1.612 3.161) 4.060 4.473 ( 2.184 2.295 3.018) 4.375 4.861 ( -1.036 9.673 2.228) 9.980 4.913 ( 1.935 12.806 -2.284) 13.152 5.288 ( 2.375 -5.408 2.810) 6.541 5.805 ( -5.784 -4.502 -9.907) 12.323 5.899 ( -8.685 -6.208 -7.358) 12.966 8.073 ( 0.117 -6.600 -2.688) 7.127 8.104 ( -1.325 -6.937 -0.345) 7.071 8.441 ( -4.410 -1.439 -8.514) 9.695 8.585 ( -3.695 -6.461 -6.107) 9.627 9.357 ( 5.014 0.304 5.722) 7.614 9.662 ( 4.309 -5.391 1.506) 7.064 9.741 ( 2.599 -4.457 7.435) 9.050 9.785 ( 3.513 -6.908 6.488) 10.107 10.752 ( -1.011 -0.718 -0.407) 1.305 10.791 ( -0.204 -1.669 0.296) 1.707 11.036 ( -0.232 3.430 -2.457) 4.226 11.159 ( 0.104 -1.057 -1.796) 2.086 11.263 ( -2.610 3.096 1.777) 4.422 11.367 ( -1.064 -0.488 4.557) 4.705 12.332 ( -3.369 14.600 -1.455) 15.054 12.530 ( 3.295 12.303 -3.601) 13.236 13.268 ( 0.672 -0.647 2.168) 2.360 13.735 ( -2.212 -8.539 3.343) 9.434 13.760 ( 0.228 2.803 -0.689) 2.895 14.299 ( -3.743 -9.805 -0.065) 10.495 14.424 ( 1.297 2.750 1.074) 3.225 14.451 ( 2.921 3.063 1.976) 4.672 14.868 ( 0.892 11.799 -1.415) 11.917 15.445 ( 0.457 -7.498 -3.832) 8.433======================= Grid point 110 (55/205) =======================q-point: ( 0.22 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.957 ( 8.637 24.379 22.041) 33.982 3.107 ( 18.401 20.481 16.128) 31.909 4.001 ( 4.433 15.808 13.281) 21.117 4.141 ( 10.247 -2.556 2.711) 10.904 4.180 ( 9.212 -9.491 4.345) 13.922 4.300 ( 5.020 4.081 3.022) 7.141 4.597 ( 6.910 2.625 5.119) 8.991 4.790 ( -8.983 13.249 6.330) 17.213 4.999 ( 8.383 9.980 -3.646) 13.534 5.369 ( 2.803 -3.632 4.140) 6.180 5.592 ( -7.625 -4.638 -11.707) 14.721 5.646 ( -8.388 -6.723 -12.601) 16.563 8.042 ( -1.250 -7.359 -2.321) 7.817 8.060 ( -2.702 -7.321 0.148) 7.805 8.288 ( -5.117 -2.136 -6.194) 8.313 8.453 ( -4.818 -7.259 -6.966) 11.154 9.488 ( 4.085 0.665 4.423) 6.057 9.704 ( -0.599 -2.527 1.539) 3.018 9.780 ( 1.308 -1.728 1.223) 2.489 9.973 ( 5.597 -12.176 8.497) 15.868 10.738 ( -0.284 0.777 0.978) 1.281 10.802 ( 1.070 -1.316 -0.181) 1.705 11.005 ( -0.663 3.572 -2.465) 4.391 11.100 ( -4.762 0.804 0.596) 4.866 11.260 ( 1.167 2.108 -0.709) 2.512 11.382 ( -0.838 -1.979 3.644) 4.230 12.244 ( -4.527 15.994 -0.905) 16.647 12.557 ( 2.142 10.645 -4.026) 11.580 13.303 ( 1.150 -0.331 2.056) 2.379 13.712 ( -2.557 -8.185 2.665) 8.979 13.777 ( 2.258 0.569 -1.076) 2.566 14.229 ( -3.073 -10.948 -0.781) 11.398 14.457 ( 0.706 4.648 2.726) 5.434 14.535 ( 3.550 2.567 2.428) 5.008 14.884 ( 1.898 11.264 -1.653) 11.541 15.420 ( 0.042 -6.868 -3.647) 7.777======================= Grid point 111 (56/205) =======================q-point: ( 0.33 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.274 ( 6.785 21.287 18.029) 28.709 3.532 ( 14.784 21.298 12.468) 28.768 3.973 ( -7.901 13.074 5.169) 16.127 4.267 ( 8.071 -4.434 -9.302) 13.089 4.375 ( -4.696 6.755 5.095) 9.677 4.559 ( 6.757 -6.435 9.685) 13.449 4.698 ( 1.518 -6.226 9.487) 11.449 4.863 ( 15.129 16.428 10.012) 24.475 5.151 ( 7.861 7.081 -0.359) 10.586 5.268 ( -10.680 -7.473 -14.436) 19.450 5.425 ( -3.187 -0.746 -11.028) 11.504 5.509 ( 1.743 -1.104 6.688) 6.999 7.982 ( -3.050 -7.168 -1.816) 7.999 8.027 ( -0.481 -8.868 -0.906) 8.927 8.160 ( -3.369 -3.735 -5.041) 7.121 8.305 ( -4.601 -7.693 -6.624) 11.146 9.565 ( 1.560 -0.014 0.300) 1.589 9.679 ( -2.499 -0.131 1.470) 2.902 9.812 ( 1.400 -1.750 -0.999) 2.453 10.104 ( 2.651 -12.014 4.561) 13.121 10.759 ( 1.047 2.114 1.680) 2.896 10.817 ( 0.908 0.396 -2.132) 2.351 10.975 ( -1.685 2.780 -0.492) 3.287 11.024 ( -2.545 1.408 1.318) 3.193 11.280 ( 1.319 1.847 -0.703) 2.376 11.391 ( -0.728 -2.876 3.260) 4.407 12.152 ( -4.210 16.276 -0.364) 16.815 12.552 ( 0.716 9.601 -3.951) 10.407 13.338 ( 0.753 0.392 1.894) 2.075 13.683 ( -2.052 -6.849 1.876) 7.392 13.825 ( 3.083 -3.369 -0.546) 4.600 14.170 ( -2.425 -10.040 -0.554) 10.343 14.491 ( 0.250 5.218 3.222) 6.138 14.614 ( 2.127 2.061 3.297) 4.432 14.912 ( 2.159 10.575 -1.496) 10.896 15.395 ( 0.356 -5.934 -3.682) 6.993======================= Grid point 112 (57/205) =======================q-point: ( 0.44 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.384 ( -7.055 19.161 5.067) 21.038 3.865 ( 8.154 21.759 10.553) 25.521 3.960 ( 2.249 16.505 12.719) 20.958 4.077 ( -17.817 13.764 -2.392) 22.641 4.332 ( 5.052 -7.098 -9.771) 13.091 4.710 ( 1.459 -7.144 5.653) 9.226 4.772 ( -6.177 -9.216 -6.321) 12.769 4.991 ( -2.483 -12.380 -0.139) 12.628 5.172 ( -0.132 9.186 1.173) 9.261 5.264 ( 4.989 6.119 -3.920) 8.814 5.407 ( 10.409 5.440 7.472) 13.920 5.634 ( 2.427 1.883 13.080) 13.436 7.909 ( -1.917 -6.924 -3.788) 8.122 8.013 ( -0.338 -10.485 -2.085) 10.695 8.096 ( 0.335 -4.979 -3.701) 6.213 8.213 ( 0.873 -7.388 -4.415) 8.651 9.550 ( -1.074 -0.296 -4.079) 4.229 9.646 ( -1.813 0.775 0.021) 1.971 9.810 ( -0.194 -1.407 -2.826) 3.162 10.138 ( -1.125 -11.210 0.094) 11.267 10.754 ( -1.577 3.439 -3.132) 4.911 10.827 ( 2.142 1.075 -1.496) 2.825 10.943 ( -1.818 2.554 2.929) 4.290 11.022 ( -0.342 -0.195 2.175) 2.210 11.299 ( 0.816 2.403 0.413) 2.571 11.419 ( 0.868 -2.613 4.427) 5.214 12.086 ( -2.091 16.221 -0.306) 16.358 12.538 ( 1.206 8.737 -3.479) 9.481 13.359 ( -0.095 0.985 1.844) 2.093 13.665 ( -1.194 -6.296 1.720) 6.635 13.878 ( 2.289 -6.190 -0.150) 6.601 14.132 ( -1.049 -7.754 0.070) 7.825 14.510 ( -0.856 5.370 2.943) 6.183 14.664 ( 0.094 1.160 4.239) 4.396 14.938 ( 1.358 10.063 -1.040) 10.207 15.379 ( 0.932 -5.145 -3.952) 6.554======================= Grid point 113 (58/205) =======================q-point: (-0.44 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.142 ( -16.731 22.176 -1.289) 27.810 3.596 ( -22.413 15.747 -5.966) 28.034 4.070 ( 1.675 18.226 15.371) 23.901 4.212 ( 4.995 9.553 1.529) 10.888 4.325 ( 2.477 -6.934 -3.803) 8.287 4.436 ( -10.570 -10.535 -13.737) 20.284 4.748 ( -4.332 -2.654 7.814) 9.320 4.924 ( -9.399 9.043 -1.425) 13.120 5.121 ( -0.404 -2.668 1.551) 3.112 5.326 ( 1.633 1.641 -1.235) 2.624 5.688 ( 6.721 3.883 12.680) 14.867 5.805 ( 4.319 0.918 14.823) 15.467 7.865 ( 1.270 -6.980 -5.165) 8.776 7.982 ( 0.304 -10.742 -3.963) 11.453 8.116 ( 4.269 -4.065 -2.983) 6.606 8.284 ( 7.803 -8.526 -1.199) 11.619 9.483 ( -1.925 -0.018 -5.745) 6.059 9.599 ( -1.598 -0.440 -3.422) 3.802 9.762 ( -1.829 -0.615 -4.043) 4.480 10.062 ( -4.794 -9.563 -4.097) 11.455 10.700 ( -0.929 3.125 -2.723) 4.248 10.853 ( 1.674 -0.398 -0.955) 1.967 10.948 ( 0.022 2.865 1.772) 3.369 11.018 ( -1.798 -0.980 2.154) 2.972 11.320 ( 0.055 3.953 2.684) 4.778 11.479 ( 0.643 -2.054 5.659) 6.054 12.075 ( 1.624 16.041 -0.989) 16.153 12.553 ( 2.820 8.094 -3.021) 9.088 13.361 ( -1.203 1.239 1.867) 2.544 13.664 ( -0.396 -6.429 2.095) 6.774 13.902 ( 0.003 -6.201 0.548) 6.225 14.139 ( 1.567 -5.684 0.306) 5.904 14.500 ( -2.191 5.270 2.230) 6.128 14.680 ( -2.122 -0.389 5.004) 5.449 14.945 ( -0.042 9.966 -0.541) 9.981 15.372 ( 1.678 -4.897 -4.238) 6.690======================= Grid point 114 (59/205) =======================q-point: (-0.33 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.769 ( -19.843 24.806 -2.160) 31.840 3.117 ( -21.573 18.626 -6.192) 29.166 3.970 ( -13.352 -12.343 -10.405) 20.950 4.101 ( -10.744 10.422 5.258) 15.865 4.271 ( -0.678 -6.999 -0.085) 7.033 4.516 ( 6.806 13.153 4.856) 15.586 4.678 ( -8.437 3.064 8.117) 12.102 4.745 ( -7.405 11.928 3.214) 14.402 5.087 ( -3.657 1.308 -1.168) 4.056 5.315 ( -1.483 -1.091 -1.157) 2.174 5.864 ( 2.876 -0.154 11.314) 11.675 5.993 ( 3.619 -1.503 11.858) 12.489 7.884 ( 4.561 -6.855 -5.261) 9.770 7.983 ( 2.925 -9.902 -4.088) 11.105 8.206 ( 7.284 -2.350 -3.184) 8.289 8.464 ( 10.285 -10.023 0.727) 14.380 9.381 ( -3.885 -0.191 -5.848) 7.023 9.536 ( -0.902 -3.522 -7.514) 8.347 9.689 ( -2.262 0.506 -3.534) 4.226 9.915 ( -5.904 -6.653 -4.906) 10.158 10.684 ( 0.773 2.033 -1.147) 2.459 10.884 ( 0.824 -1.616 2.219) 2.866 10.965 ( 1.860 2.469 -1.716) 3.536 10.993 ( -1.537 -1.150 0.592) 2.009 11.336 ( -1.073 5.239 4.023) 6.692 11.507 ( -2.451 -1.094 5.804) 6.394 12.131 ( 4.937 15.396 -1.716) 16.258 12.590 ( 2.794 7.985 -2.854) 8.928 13.340 ( -2.394 1.107 1.858) 3.226 13.681 ( 0.211 -6.621 2.915) 7.238 13.893 ( -1.515 -3.351 1.494) 3.969 14.188 ( 3.025 -4.646 0.115) 5.545 14.462 ( -2.960 4.949 1.330) 5.918 14.658 ( -4.271 -2.647 5.315) 7.314 14.930 ( -1.096 10.365 -0.289) 10.427 15.381 ( 2.689 -5.331 -4.311) 7.364======================= Grid point 115 (60/205) =======================q-point: (-0.22 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.354 ( -20.949 24.862 -1.227) 32.535 2.706 ( -16.955 26.653 -0.388) 31.591 3.675 ( -9.503 -17.303 -5.737) 20.557 3.867 ( -14.693 15.588 5.650) 22.153 4.256 ( -1.930 -3.889 1.033) 4.463 4.532 ( -11.256 2.296 5.678) 12.814 4.574 ( -5.192 10.257 7.837) 13.914 4.758 ( 3.884 11.626 3.047) 12.631 4.990 ( -3.816 6.797 -2.753) 8.267 5.269 ( -2.061 -3.421 -0.757) 4.065 5.977 ( 1.447 -2.317 6.774) 7.304 6.114 ( 0.970 -3.493 8.037) 8.817 7.950 ( 5.861 -6.542 -4.649) 9.937 8.026 ( 4.245 -8.740 -3.530) 10.338 8.341 ( 9.322 -0.671 -4.163) 10.232 8.669 ( 9.059 -11.500 2.080) 14.786 9.261 ( -3.947 -0.637 -4.240) 5.828 9.423 ( -3.716 -5.956 -10.059) 12.267 9.641 ( -0.629 0.535 -1.581) 1.783 9.794 ( -3.531 -3.158 -1.685) 5.028 10.705 ( 1.695 0.939 -0.293) 1.960 10.901 ( -2.044 -2.876 4.252) 5.525 10.971 ( 0.754 2.772 -1.398) 3.195 11.014 ( 4.669 -1.447 -4.074) 6.363 11.342 ( -1.673 5.472 4.556) 7.314 11.477 ( -4.768 -0.052 5.254) 7.095 12.223 ( 5.718 14.460 -2.147) 15.697 12.603 ( 0.575 8.924 -2.890) 9.398 13.301 ( -2.916 0.736 1.883) 3.548 13.712 ( 0.202 -6.522 3.687) 7.495 13.866 ( -2.724 -0.470 1.978) 3.398 14.251 ( 3.389 -3.515 0.135) 4.884 14.413 ( -2.599 4.812 0.306) 5.478 14.597 ( -5.852 -5.215 4.832) 9.208 14.904 ( -1.171 11.037 -0.275) 11.102 15.409 ( 3.382 -6.231 -4.190) 8.235======================= Grid point 116 (61/205) =======================q-point: (-0.11 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.018 ( -12.828 28.296 7.415) 31.940 2.484 ( -8.458 32.649 7.328) 34.514 3.540 ( -2.821 -18.575 2.038) 18.898 3.678 ( -9.746 22.283 8.626) 25.805 4.221 ( -2.308 -5.289 -0.272) 5.777 4.346 ( -9.605 4.653 3.710) 11.299 4.522 ( -5.664 5.292 6.454) 10.087 4.834 ( 1.859 9.346 0.676) 9.553 4.924 ( -0.939 10.395 -1.921) 10.613 5.237 ( -0.766 -4.959 -0.018) 5.018 6.014 ( -1.017 -3.202 1.317) 3.608 6.147 ( -2.100 -4.647 3.183) 6.011 8.025 ( 4.866 -6.271 -3.836) 8.816 8.080 ( 3.471 -7.645 -2.623) 8.797 8.486 ( 9.146 -0.452 -7.013) 11.534 8.797 ( 1.717 -12.089 -1.200) 12.269 9.193 ( -0.727 -1.196 -0.359) 1.445 9.311 ( -0.052 -4.522 -1.128) 4.661 9.631 ( 0.257 -0.118 -0.285) 0.402 9.751 ( -1.120 -2.631 1.272) 3.130 10.737 ( 1.604 -0.077 -0.273) 1.629 10.869 ( -3.482 -3.455 2.516) 5.513 10.999 ( 3.082 3.601 -2.073) 5.174 11.078 ( 4.827 -1.622 -4.000) 6.475 11.342 ( -2.090 4.532 4.953) 7.032 11.414 ( -5.330 0.424 4.604) 7.056 12.312 ( 5.063 13.239 -2.334) 14.365 12.568 ( -1.698 11.358 -2.832) 11.829 13.264 ( -2.217 0.239 1.990) 2.988 13.740 ( -0.432 -6.917 3.881) 7.943 13.819 ( -3.400 1.518 1.774) 4.125 14.318 ( 3.140 -2.787 0.467) 4.224 14.374 ( -1.203 5.295 -0.364) 5.442 14.511 ( -6.063 -6.840 3.345) 9.733 14.883 ( -0.712 11.534 -0.450) 11.565 15.441 ( 2.952 -7.107 -4.087) 8.714======================= Grid point 117 (62/205) =======================q-point: ( 0.00 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.618 ( 5.641 28.117 15.439) 32.569 3.074 ( 0.133 17.643 7.787) 19.286 3.163 ( 5.240 -14.029 12.635) 19.594 3.599 ( 0.868 -21.205 6.253) 22.125 4.308 ( -3.935 7.284 0.693) 8.308 4.347 ( -4.049 3.254 3.654) 6.351 4.615 ( -1.273 15.214 3.926) 15.764 4.896 ( -0.338 -8.756 3.301) 9.364 5.089 ( 2.680 7.350 -3.862) 8.724 5.167 ( 1.087 -1.469 -1.268) 2.225 5.913 ( -5.470 0.230 -2.680) 6.096 5.970 ( -6.553 -5.085 -1.187) 8.379 7.988 ( 2.251 -1.973 -2.901) 4.168 8.005 ( 1.823 -3.609 -2.220) 4.613 8.535 ( 0.949 1.022 -8.400) 8.515 8.590 ( -1.744 -4.763 -6.408) 8.173 9.247 ( 4.345 2.276 4.636) 6.749 9.320 ( 6.137 -5.407 6.284) 10.314 9.652 ( 0.628 0.789 2.068) 2.301 9.688 ( -0.466 -2.904 2.694) 3.988 10.754 ( -0.240 0.486 0.405) 0.676 10.776 ( -1.519 -1.759 1.109) 2.575 11.090 ( 2.423 2.079 -2.663) 4.157 11.118 ( 3.238 -0.892 -3.037) 4.528 11.365 ( -4.556 1.599 4.361) 6.507 11.378 ( -3.423 0.280 4.778) 5.884 12.581 ( 2.335 9.192 -3.257) 10.028 12.677 ( 1.665 1.021 -3.967) 4.422 13.322 ( -1.962 8.906 2.923) 9.577 13.546 ( -1.917 -12.269 2.901) 12.752 13.892 ( -2.174 8.951 1.302) 9.302 14.113 ( -2.782 -13.618 1.278) 13.958 14.449 ( 0.754 2.533 0.776) 2.754 14.463 ( 0.363 1.067 1.231) 1.670 15.095 ( 0.441 11.254 -1.906) 11.422 15.294 ( 1.073 -9.366 -3.047) 9.908======================= Grid point 118 (63/205) =======================q-point: ( 0.11 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.969 ( 14.465 22.366 20.336) 33.512 3.204 ( 5.819 20.076 10.611) 23.441 3.458 ( 12.344 -14.910 17.638) 26.187 3.722 ( 5.849 -19.377 8.967) 22.138 4.272 ( 0.061 6.533 -0.970) 6.605 4.309 ( -1.573 1.372 0.600) 2.172 4.682 ( 4.381 17.451 5.223) 18.735 4.946 ( 2.194 -5.342 4.270) 7.182 5.118 ( 2.683 7.308 -2.412) 8.150 5.188 ( 1.933 -2.623 0.402) 3.283 5.740 ( -7.401 -1.266 -9.155) 11.841 5.782 ( -9.494 -5.198 -6.969) 12.874 7.984 ( -0.608 -2.200 -2.119) 3.115 7.998 ( -1.104 -3.538 -1.241) 3.908 8.433 ( -4.228 0.904 -7.879) 8.988 8.481 ( -3.907 -4.125 -7.042) 9.048 9.395 ( 5.831 3.852 5.939) 9.171 9.507 ( 6.789 -7.743 6.008) 11.922 9.700 ( 1.878 -0.525 4.295) 4.716 9.714 ( 0.720 -2.004 3.587) 4.172 10.749 ( -0.449 0.361 0.527) 0.781 10.764 ( -0.288 -1.119 0.752) 1.379 11.096 ( 0.110 2.665 -2.263) 3.498 11.136 ( 0.359 -1.538 -1.965) 2.521 11.320 ( -2.611 2.600 2.568) 4.491 11.356 ( -2.169 -1.104 3.678) 4.410 12.578 ( -0.541 10.221 -2.413) 10.516 12.679 ( 1.507 1.188 -3.806) 4.263 13.321 ( -0.262 7.580 2.351) 7.940 13.530 ( -1.697 -12.136 2.416) 12.490 13.863 ( -1.225 7.827 -0.104) 7.923 14.060 ( -2.812 -12.350 -0.366) 12.671 14.487 ( 1.630 2.265 1.989) 3.427 14.498 ( 1.987 1.115 2.130) 3.119 15.090 ( 0.755 11.074 -2.155) 11.307 15.286 ( 0.603 -9.205 -3.075) 9.724======================= Grid point 119 (64/205) =======================q-point: ( 0.22 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.389 ( 10.723 19.097 17.941) 28.312 3.469 ( 13.619 15.393 12.060) 23.830 3.866 ( 14.610 -12.647 17.816) 26.283 3.949 ( 9.590 -15.028 9.010) 19.974 4.255 ( -2.178 6.139 0.350) 6.524 4.320 ( 3.413 -1.175 -1.082) 3.769 4.847 ( 6.270 16.317 7.379) 18.974 5.008 ( -1.353 4.497 5.408) 7.162 5.153 ( 1.770 5.828 1.966) 6.400 5.267 ( 5.064 -5.720 2.582) 8.064 5.500 ( -9.576 -3.422 -12.189) 15.873 5.527 ( -5.038 -5.050 -15.534) 17.093 7.941 ( -2.111 -2.656 -1.629) 3.764 7.950 ( -2.746 -3.537 -0.639) 4.524 8.277 ( -5.594 1.178 -6.878) 8.944 8.335 ( -5.368 -4.777 -7.115) 10.112 9.533 ( 4.225 3.997 3.113) 6.597 9.630 ( 2.882 -5.296 1.095) 6.127 9.758 ( 1.389 0.134 3.375) 3.652 9.803 ( 3.124 -5.128 7.752) 9.805 10.756 ( 0.667 1.068 1.301) 1.811 10.778 ( 1.111 -1.184 0.868) 1.841 11.067 ( -1.285 2.686 -1.652) 3.405 11.102 ( -2.678 -0.808 -0.463) 2.835 11.304 ( -0.309 2.373 0.515) 2.447 11.346 ( -1.251 -1.959 2.292) 3.265 12.528 ( -2.734 12.443 -1.921) 12.884 12.668 ( 0.083 -0.748 -3.679) 3.755 13.346 ( 1.081 5.962 1.868) 6.341 13.520 ( -1.038 -10.701 2.122) 10.959 13.843 ( -0.535 5.925 -0.792) 6.002 14.006 ( -2.114 -10.838 -0.921) 11.080 14.536 ( 1.410 3.009 3.078) 4.529 14.564 ( 2.502 0.134 2.880) 3.817 15.094 ( 1.330 10.335 -2.234) 10.657 15.274 ( 0.694 -8.441 -3.001) 8.985======================= Grid point 120 (65/205) =======================q-point: ( 0.33 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.669 ( 6.927 18.637 11.103) 22.772 3.839 ( 13.344 7.521 11.282) 19.024 4.139 ( 5.716 -5.226 0.325) 7.752 4.207 ( -1.029 5.728 2.078) 6.179 4.273 ( 11.515 -5.293 13.311) 18.379 4.431 ( 5.445 -9.343 7.789) 13.327 4.787 ( -15.043 12.020 0.214) 19.257 5.009 ( -11.262 -9.138 -0.122) 14.504 5.222 ( 6.715 12.192 5.512) 14.971 5.314 ( 6.141 6.153 -9.827) 13.120 5.388 ( 1.624 -3.572 -9.792) 10.549 5.438 ( 5.525 -6.593 7.114) 11.163 7.882 ( -2.576 -2.587 -1.636) 4.001 7.896 ( -1.931 -4.108 -1.054) 4.661 8.128 ( -4.212 0.557 -6.071) 7.410 8.181 ( -4.526 -4.856 -6.573) 9.342 9.593 ( 1.458 2.832 -1.790) 3.654 9.656 ( 0.366 -2.820 -1.345) 3.146 9.807 ( 0.793 2.373 3.007) 3.912 9.908 ( 1.691 -7.987 5.847) 10.042 10.794 ( 1.819 1.454 1.278) 2.657 10.814 ( 1.832 -0.639 -0.070) 1.941 11.023 ( -2.543 1.952 -0.433) 3.235 11.042 ( -2.864 0.064 0.554) 2.918 11.312 ( 0.877 1.659 0.142) 1.882 11.346 ( -0.237 -1.921 2.221) 2.946 12.453 ( -3.186 13.913 -1.706) 14.375 12.628 ( -1.035 -2.851 -3.509) 4.638 13.383 ( 1.226 5.007 1.618) 5.403 13.523 ( -0.423 -8.695 2.064) 8.946 13.832 ( 0.007 3.936 -0.514) 3.969 13.969 ( -1.070 -9.737 -0.517) 9.810 14.583 ( 0.600 3.835 3.590) 5.287 14.628 ( 1.355 -0.760 3.443) 3.777 15.106 ( 1.654 9.405 -2.177) 9.794 15.268 ( 1.039 -7.439 -2.984) 8.082======================= Grid point 121 (66/205) =======================q-point: ( 0.44 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.754 ( -3.677 18.643 0.375) 19.006 4.060 ( 0.696 -10.891 -0.813) 10.943 4.241 ( 5.092 11.866 6.907) 14.644 4.265 ( 4.682 11.282 8.269) 14.751 4.367 ( -15.305 12.176 -6.526) 20.618 4.555 ( 1.682 -8.502 4.110) 9.592 4.604 ( -5.780 -6.690 -0.226) 8.844 4.711 ( -1.424 -15.292 3.586) 15.771 5.312 ( -1.022 4.549 -4.504) 6.483 5.341 ( 2.079 1.439 -4.904) 5.518 5.533 ( 9.512 6.835 12.139) 16.869 5.630 ( 5.121 -2.697 12.608) 13.873 7.820 ( -1.702 -1.794 -3.441) 4.237 7.854 ( -1.176 -5.363 -2.750) 6.141 8.047 ( 0.492 -0.035 -4.342) 4.370 8.093 ( 0.718 -4.674 -4.578) 6.582 9.573 ( -0.423 2.597 -5.026) 5.673 9.631 ( -0.756 -2.612 -4.019) 4.853 9.823 ( -1.020 3.696 1.252) 4.034 9.945 ( -1.312 -8.568 2.371) 8.986 10.808 ( -0.573 2.139 -2.833) 3.596 10.833 ( 1.052 -0.464 -2.219) 2.499 10.986 ( -1.624 1.777 2.835) 3.719 11.012 ( -1.474 -0.944 2.418) 2.985 11.342 ( 1.455 2.154 1.875) 3.205 11.380 ( 1.337 -1.812 3.760) 4.383 12.392 ( -1.407 14.526 -1.886) 14.715 12.588 ( 0.000 -4.407 -3.452) 5.598 13.413 ( 0.403 4.812 1.668) 5.109 13.532 ( -0.353 -7.108 2.089) 7.417 13.837 ( 0.595 2.582 0.344) 2.672 13.960 ( 0.284 -9.013 0.373) 9.026 14.608 ( -0.938 4.297 3.518) 5.632 14.663 ( -0.573 -1.415 3.701) 4.003 15.120 ( 1.297 8.684 -1.952) 8.995 15.267 ( 1.153 -6.623 -3.005) 7.364======================= Grid point 122 (67/205) =======================q-point: (-0.44 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.577 ( -12.084 22.287 -3.821) 25.638 3.848 ( -17.876 6.897 -6.607) 20.268 4.045 ( -7.631 -13.026 -9.451) 17.811 4.137 ( -17.271 -10.748 -12.435) 23.842 4.391 ( 1.200 13.599 13.121) 18.935 4.525 ( 6.116 4.484 7.301) 10.527 4.700 ( 2.425 1.924 8.070) 8.643 4.879 ( 6.580 -10.748 4.258) 13.302 5.205 ( -6.429 8.338 -1.466) 10.630 5.319 ( -2.332 -2.975 -1.692) 4.142 5.766 ( 3.764 3.677 13.148) 14.162 5.811 ( 3.200 -0.844 13.813) 14.203 7.778 ( 1.176 -1.558 -5.015) 5.381 7.818 ( 0.863 -5.695 -4.480) 7.297 8.082 ( 5.658 0.751 -2.969) 6.434 8.145 ( 6.799 -5.603 -2.379) 9.126 9.508 ( -1.650 2.538 -6.788) 7.432 9.566 ( -1.778 -2.907 -6.532) 7.367 9.786 ( -2.695 3.623 -0.816) 4.588 9.896 ( -4.016 -7.490 -0.699) 8.527 10.761 ( -1.175 3.185 -2.786) 4.392 10.819 ( -0.157 -2.728 -2.195) 3.505 10.992 ( -0.218 1.597 2.076) 2.628 11.009 ( -0.886 -0.355 2.009) 2.225 11.391 ( 0.766 3.268 4.325) 5.475 11.442 ( 0.883 -2.120 5.523) 5.982 12.379 ( 1.887 14.588 -2.599) 14.937 12.585 ( 2.466 -5.371 -3.744) 6.996 13.423 ( -0.821 5.178 2.038) 5.625 13.540 ( -0.592 -6.497 2.436) 6.964 13.860 ( 1.129 2.679 1.287) 3.179 13.986 ( 1.644 -8.883 1.374) 9.138 14.597 ( -2.665 4.411 2.907) 5.917 14.659 ( -2.714 -2.019 3.512) 4.876 15.124 ( 0.516 8.471 -1.609) 8.638 15.266 ( 1.119 -6.325 -2.958) 7.072======================= Grid point 123 (68/205) =======================q-point: (-0.33 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.238 ( -18.449 23.289 -6.359) 30.384 3.466 ( -14.968 15.788 -4.714) 22.261 3.676 ( -17.517 -15.515 -11.626) 26.129 3.863 ( -8.074 -18.872 -5.118) 21.155 4.468 ( -3.141 11.502 11.404) 16.499 4.611 ( -3.865 -3.442 9.160) 10.521 4.815 ( 3.759 11.506 3.701) 12.658 4.961 ( -1.468 2.043 1.662) 3.015 5.084 ( -3.560 4.028 -0.250) 5.382 5.238 ( -4.362 -6.967 -0.912) 8.270 5.894 ( 0.254 3.004 12.204) 12.571 5.954 ( 1.087 -2.723 12.187) 12.535 7.796 ( 4.576 -1.688 -5.135) 7.082 7.831 ( 3.994 -5.240 -4.636) 8.056 8.204 ( 8.822 2.320 -2.783) 9.537 8.296 ( 9.748 -7.085 -1.466) 12.140 9.402 ( -3.667 2.275 -7.290) 8.471 9.463 ( -3.045 -3.791 -8.435) 9.736 9.720 ( -2.784 2.982 -1.437) 4.325 9.801 ( -4.236 -5.241 -1.448) 6.893 10.735 ( -0.093 3.245 -0.769) 3.336 10.809 ( -0.161 -4.427 0.336) 4.442 11.001 ( 0.655 1.238 -0.438) 1.468 11.006 ( 0.052 0.714 -0.064) 0.718 11.426 ( -1.164 3.854 5.428) 6.758 11.481 ( -1.688 -1.956 6.099) 6.624 12.420 ( 4.484 13.849 -3.403) 14.949 12.618 ( 3.822 -5.357 -4.249) 7.833 13.412 ( -2.130 6.254 2.600) 7.100 13.548 ( -0.652 -7.276 3.031) 7.909 13.896 ( 1.033 4.249 2.189) 4.890 14.040 ( 2.314 -9.304 2.271) 9.853 14.552 ( -3.748 4.076 1.922) 5.861 14.613 ( -4.470 -2.395 2.836) 5.811 15.117 ( 0.010 8.912 -1.357) 9.015 15.268 ( 1.358 -6.745 -2.842) 7.444======================= Grid point 124 (69/205) =======================q-point: (-0.22 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.830 ( -17.640 24.404 -3.986) 30.374 3.204 ( -10.449 18.076 0.364) 20.882 3.300 ( -13.380 -14.284 -6.050) 20.486 3.688 ( -7.120 -21.515 -0.878) 22.679 4.451 ( -5.848 10.599 8.453) 14.765 4.549 ( -8.333 -1.091 7.383) 11.187 4.796 ( -8.211 12.660 4.207) 15.665 4.944 ( -0.594 3.449 1.246) 3.715 5.054 ( 0.289 2.000 -1.831) 2.727 5.169 ( -1.099 -6.562 -1.804) 6.894 5.971 ( -0.668 2.025 8.681) 8.939 6.039 ( -0.814 -4.218 9.041) 10.009 7.865 ( 5.953 -1.814 -4.565) 7.718 7.892 ( 5.402 -4.573 -4.088) 8.173 8.366 ( 9.796 3.448 -3.383) 10.922 8.477 ( 9.457 -8.133 -1.415) 12.553 9.272 ( -4.034 1.770 -5.608) 7.131 9.327 ( -4.017 -3.963 -7.572) 9.444 9.667 ( -1.826 2.312 -0.577) 3.002 9.727 ( -2.737 -3.618 -0.145) 4.539 10.739 ( 0.390 2.662 0.568) 2.749 10.809 ( -0.972 -4.671 1.977) 5.164 11.015 ( 1.889 1.481 -1.691) 2.936 11.023 ( 2.675 0.556 -2.423) 3.652 11.428 ( -2.752 3.398 5.483) 7.013 11.470 ( -3.931 -1.038 5.729) 7.025 12.487 ( 4.906 12.263 -3.867) 13.763 12.655 ( 3.252 -3.964 -4.555) 6.859 13.383 ( -2.973 7.834 3.078) 8.926 13.558 ( -1.007 -9.206 3.333) 9.842 13.924 ( -0.355 6.628 2.841) 7.220 14.101 ( 1.645 -10.464 2.929) 10.990 14.492 ( -3.220 3.267 0.835) 4.662 14.538 ( -4.777 -1.874 1.788) 5.434 15.107 ( 0.088 9.842 -1.338) 9.933 15.277 ( 1.752 -7.756 -2.786) 8.426======================= Grid point 125 (70/205) =======================q-point: (-0.11 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.565 ( -8.484 28.285 5.180) 29.981 3.081 ( -4.015 13.240 5.548) 14.907 3.093 ( -6.185 -9.717 2.092) 11.707 3.590 ( -3.570 -21.990 2.980) 22.476 4.390 ( -5.807 9.328 5.471) 12.275 4.427 ( -8.024 2.558 4.595) 9.594 4.669 ( -6.904 12.752 3.799) 14.990 4.910 ( -3.035 -6.731 2.371) 7.755 5.068 ( 2.486 6.678 -3.398) 7.894 5.158 ( 0.974 -2.583 -1.906) 3.354 5.988 ( -2.644 1.114 3.413) 4.459 6.053 ( -3.284 -4.834 4.359) 7.291 7.942 ( 4.926 -1.882 -3.763) 6.478 7.963 ( 4.458 -3.978 -3.250) 6.802 8.506 ( 7.362 2.927 -5.628) 9.718 8.607 ( 4.827 -7.626 -3.693) 9.751 9.193 ( -0.739 1.207 -0.749) 1.601 9.236 ( -0.476 -3.174 -1.055) 3.379 9.643 ( -0.697 1.589 0.663) 1.857 9.691 ( -1.533 -3.222 1.501) 3.871 10.751 ( 0.113 1.558 0.782) 1.747 10.797 ( -1.692 -3.326 1.768) 4.129 11.051 ( 3.251 1.767 -2.440) 4.433 11.069 ( 3.978 -0.237 -3.157) 5.084 11.407 ( -3.564 2.096 5.264) 6.694 11.424 ( -4.885 0.160 5.132) 7.087 12.545 ( 4.051 10.404 -3.834) 11.805 12.673 ( 2.147 -1.464 -4.375) 5.089 13.348 ( -2.968 8.981 3.216) 9.991 13.557 ( -1.622 -11.154 3.237) 11.727 13.921 ( -2.075 8.594 2.596) 9.214 14.134 ( -0.750 -12.693 2.834) 13.027 14.451 ( -1.254 2.572 0.246) 2.872 14.473 ( -2.497 -0.016 0.919) 2.661 15.101 ( 0.321 10.772 -1.562) 10.890 15.289 ( 1.674 -8.812 -2.890) 9.424======================= Grid point 162 (71/205) =======================q-point: ( 0.00 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.387 ( 12.810 0.000 32.160) 34.617 1.478 ( -9.020 0.000 34.467) 35.628 2.641 ( -3.324 0.000 57.852) 57.947 3.689 ( -4.875 0.000 -10.781) 11.832 4.100 ( 1.614 0.000 -11.212) 11.327 4.450 ( 2.270 0.000 6.786) 7.156 4.499 ( -8.532 0.000 10.042) 13.177 4.571 ( 4.046 0.000 9.915) 10.709 4.942 ( -1.841 0.000 7.137) 7.371 5.327 ( 2.977 0.000 -2.219) 3.713 5.989 ( -6.176 0.000 -8.424) 10.445 6.068 ( -5.450 0.000 -11.321) 12.565 8.318 ( 1.815 0.000 -3.708) 4.128 8.356 ( 3.818 0.000 -1.059) 3.962 8.419 ( 0.240 0.000 -2.419) 2.431 8.938 ( -8.008 0.000 -7.548) 11.004 9.506 ( 3.179 0.000 2.853) 4.271 9.553 ( 2.424 0.000 5.193) 5.731 9.885 ( 1.986 0.000 3.234) 3.795 10.605 ( 16.010 0.000 -4.583) 16.653 10.665 ( -0.203 0.000 0.559) 0.595 10.806 ( 0.465 0.000 -0.300) 0.553 10.829 ( -0.012 0.000 -2.767) 2.767 11.136 ( 5.296 0.000 -2.819) 5.999 11.385 ( 4.933 0.000 0.035) 4.933 11.513 ( -8.674 0.000 -2.488) 9.023 11.681 ( -5.471 0.000 2.231) 5.908 11.893 ( 4.138 0.000 4.180) 5.882 13.398 ( -2.511 0.000 5.413) 5.967 13.847 ( -7.151 0.000 -1.065) 7.230 13.894 ( 1.729 0.000 2.296) 2.874 14.120 ( 1.771 0.000 7.323) 7.534 14.173 ( 5.853 0.000 -7.786) 9.740 14.567 ( -7.897 0.000 9.069) 12.025 14.720 ( -2.694 0.000 -2.897) 3.956 15.599 ( 3.787 0.000 -7.638) 8.526======================= Grid point 163 (72/205) =======================q-point: ( 0.11 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.714 ( 6.355 0.000 31.097) 31.739 2.041 ( 24.600 0.000 29.457) 38.378 3.172 ( 14.387 0.000 51.243) 53.224 3.642 ( 9.239 0.000 -13.290) 16.186 4.078 ( 3.669 0.000 -9.002) 9.721 4.400 ( -8.198 0.000 6.988) 10.772 4.411 ( -8.074 0.000 4.833) 9.410 4.823 ( 8.609 0.000 14.201) 16.607 4.998 ( 2.526 0.000 7.941) 8.333 5.345 ( 0.324 0.000 -1.394) 1.431 5.758 ( -9.193 0.000 -12.481) 15.501 5.845 ( -7.201 0.000 -14.174) 15.899 8.322 ( 1.523 0.000 -3.521) 3.836 8.392 ( -0.971 0.000 -2.832) 2.994 8.401 ( 1.315 0.000 -0.563) 1.431 8.776 ( -4.230 0.000 -5.988) 7.332 9.593 ( 3.496 0.000 2.385) 4.232 9.645 ( 2.685 0.000 4.842) 5.537 9.910 ( -2.124 0.000 3.201) 3.842 10.678 ( 0.742 0.000 1.656) 1.814 10.689 ( 0.790 0.000 -6.086) 6.137 10.800 ( -0.932 0.000 -5.563) 5.640 10.826 ( 2.012 0.000 -0.703) 2.131 11.159 ( 1.266 0.000 -2.532) 2.831 11.318 ( -9.165 0.000 -2.174) 9.420 11.509 ( 1.965 0.000 3.845) 4.318 11.647 ( 2.238 0.000 -0.992) 2.449 11.959 ( 0.140 0.000 2.415) 2.419 13.395 ( -1.896 0.000 5.333) 5.660 13.743 ( -2.400 0.000 -1.689) 2.935 13.986 ( 5.373 0.000 2.642) 5.988 14.216 ( 1.969 0.000 6.487) 6.779 14.243 ( 6.931 0.000 -6.752) 9.676 14.499 ( -6.343 0.000 10.703) 12.441 14.641 ( -2.829 0.000 -3.387) 4.413 15.596 ( 1.772 0.000 -7.355) 7.565======================= Grid point 164 (73/205) =======================q-point: ( 0.22 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.148 ( 15.068 0.000 25.627) 29.729 2.681 ( 16.616 0.000 31.831) 35.906 3.793 ( 13.389 0.000 -11.814) 17.856 3.908 ( 23.676 0.000 30.276) 38.434 4.059 ( -5.280 0.000 10.787) 12.010 4.258 ( -9.303 0.000 3.222) 9.845 4.328 ( 2.282 0.000 -5.599) 6.046 5.029 ( 4.276 0.000 8.227) 9.272 5.195 ( 7.573 0.000 11.402) 13.688 5.305 ( -4.175 0.000 -2.433) 4.833 5.470 ( -8.840 0.000 -12.821) 15.574 5.601 ( -6.017 0.000 -11.941) 13.371 8.330 ( 2.283 0.000 -3.459) 4.144 8.335 ( -2.634 0.000 -2.867) 3.893 8.400 ( -0.620 0.000 -1.240) 1.386 8.657 ( -3.414 0.000 -6.820) 7.627 9.669 ( 2.851 0.000 0.775) 2.954 9.713 ( 0.997 0.000 2.658) 2.839 9.851 ( -5.680 0.000 1.405) 5.852 10.612 ( -2.543 0.000 -10.481) 10.785 10.716 ( 1.477 0.000 2.203) 2.653 10.718 ( -2.644 0.000 -2.620) 3.722 10.873 ( 3.088 0.000 0.224) 3.096 11.143 ( -7.082 0.000 -1.144) 7.174 11.172 ( 0.542 0.000 0.850) 1.008 11.521 ( -2.207 0.000 4.200) 4.744 11.702 ( 3.459 0.000 -3.237) 4.738 11.947 ( -2.384 0.000 1.108) 2.629 13.406 ( -1.126 0.000 4.818) 4.948 13.724 ( 1.396 0.000 -1.418) 1.990 14.115 ( 6.159 0.000 -0.019) 6.159 14.265 ( -1.828 0.000 5.209) 5.520 14.340 ( 7.454 0.000 -3.733) 8.337 14.502 ( -1.988 0.000 11.128) 11.305 14.563 ( -2.639 0.000 -3.121) 4.087 15.557 ( 0.047 0.000 -7.337) 7.338======================= Grid point 165 (74/205) =======================q-point: ( 0.33 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.653 ( 17.793 0.000 21.212) 27.686 3.147 ( 4.882 0.000 31.457) 31.834 3.780 ( -12.953 0.000 2.530) 13.198 3.831 ( -16.502 0.000 9.561) 19.072 4.240 ( 10.768 0.000 -10.878) 15.306 4.412 ( 12.298 0.000 -12.314) 17.403 4.656 ( 20.507 0.000 25.130) 32.435 5.095 ( -8.839 0.000 -7.827) 11.806 5.151 ( 2.509 0.000 3.151) 4.028 5.228 ( -4.676 0.000 -6.116) 7.699 5.308 ( -3.412 0.000 -2.971) 4.524 5.617 ( 7.578 0.000 11.280) 13.589 8.252 ( -3.088 0.000 -3.673) 4.799 8.367 ( -1.432 0.000 -1.416) 2.014 8.368 ( 4.614 0.000 -3.394) 5.728 8.536 ( -3.404 0.000 -7.250) 8.010 9.691 ( -6.107 0.000 0.517) 6.129 9.705 ( 0.874 0.000 -1.542) 1.772 9.753 ( -1.836 0.000 -2.284) 2.930 10.448 ( -3.864 0.000 -13.923) 14.450 10.672 ( -1.494 0.000 -0.096) 1.497 10.756 ( 1.037 0.000 1.170) 1.563 10.937 ( 1.325 0.000 2.903) 3.191 11.046 ( -1.797 0.000 0.180) 1.806 11.186 ( -0.743 0.000 3.271) 3.354 11.511 ( -0.802 0.000 1.158) 1.408 11.725 ( 1.571 0.000 -2.507) 2.958 11.899 ( -2.860 0.000 0.537) 2.910 13.422 ( -0.822 0.000 4.107) 4.189 13.766 ( 3.305 0.000 -0.137) 3.308 14.202 ( 4.766 0.000 -5.263) 7.101 14.245 ( -3.534 0.000 5.075) 6.184 14.471 ( 4.137 0.000 -0.136) 4.139 14.494 ( 0.205 0.000 -1.137) 1.155 14.564 ( -0.891 0.000 10.409) 10.447 15.494 ( -0.356 0.000 -7.683) 7.691======================= Grid point 166 (75/205) =======================q-point: (-0.56 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.095 ( 6.527 0.000 17.378) 18.563 3.169 ( -23.340 0.000 17.624) 29.246 3.496 ( -13.254 0.000 8.636) 15.819 3.747 ( -2.339 0.000 19.447) 19.587 4.332 ( 7.341 0.000 -17.353) 18.842 4.554 ( 6.900 0.000 -9.696) 11.900 4.721 ( -6.908 0.000 -4.726) 8.370 5.046 ( -3.568 0.000 -7.149) 7.990 5.105 ( -4.875 0.000 2.612) 5.530 5.235 ( -1.817 0.000 6.467) 6.718 5.416 ( 16.166 0.000 12.524) 20.450 5.871 ( 7.920 0.000 11.942) 14.330 8.172 ( -1.730 0.000 -4.440) 4.765 8.334 ( -0.500 0.000 -1.571) 1.648 8.412 ( -1.638 0.000 -7.254) 7.437 8.480 ( 7.904 0.000 -2.695) 8.351 9.562 ( -4.527 0.000 -2.757) 5.300 9.670 ( -2.427 0.000 -3.896) 4.590 9.703 ( -2.006 0.000 -3.098) 3.691 10.269 ( -2.848 0.000 -15.628) 15.885 10.651 ( -0.793 0.000 0.523) 0.950 10.770 ( 0.165 0.000 -0.551) 0.576 10.944 ( -2.665 0.000 4.895) 5.573 11.085 ( 3.520 0.000 1.917) 4.008 11.190 ( -2.010 0.000 4.015) 4.490 11.506 ( 0.149 0.000 -1.035) 1.045 11.743 ( 2.315 0.000 -1.491) 2.754 11.855 ( -1.759 0.000 0.302) 1.785 13.434 ( -1.001 0.000 3.578) 3.716 13.839 ( 3.398 0.000 1.638) 3.772 14.223 ( -2.492 0.000 4.998) 5.585 14.229 ( 3.574 0.000 -8.108) 8.861 14.395 ( -4.788 0.000 -1.820) 5.123 14.607 ( -2.888 0.000 9.883) 10.296 14.627 ( 5.779 0.000 2.971) 6.497 15.439 ( 1.215 0.000 -7.988) 8.080======================= Grid point 167 (76/205) =======================q-point: (-0.44 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.731 ( -30.886 0.000 13.882) 33.863 2.880 ( -28.957 0.000 13.312) 31.870 3.707 ( 14.826 0.000 13.063) 19.760 3.755 ( -15.723 0.000 12.253) 19.933 4.263 ( 0.718 0.000 -16.973) 16.988 4.404 ( -10.194 0.000 8.813) 13.475 4.804 ( 11.799 0.000 -7.845) 14.169 4.948 ( -4.621 0.000 -1.967) 5.022 4.960 ( -7.940 0.000 -1.606) 8.101 5.184 ( -7.861 0.000 5.286) 9.473 5.804 ( 12.263 0.000 11.001) 16.474 6.085 ( 5.974 0.000 8.352) 10.268 8.128 ( 0.935 0.000 -4.585) 4.679 8.330 ( 1.544 0.000 -2.105) 2.610 8.331 ( -0.514 0.000 -6.741) 6.760 8.682 ( 13.968 0.000 -1.004) 14.004 9.504 ( 1.064 0.000 -3.003) 3.186 9.564 ( -4.546 0.000 -4.735) 6.564 9.628 ( -3.184 0.000 -2.990) 4.368 10.090 ( -2.763 0.000 -18.103) 18.312 10.659 ( 1.098 0.000 1.163) 1.599 10.755 ( -0.638 0.000 -1.952) 2.054 10.927 ( -3.289 0.000 5.478) 6.390 11.163 ( -3.515 0.000 3.151) 4.720 11.182 ( 4.552 0.000 3.472) 5.725 11.497 ( -0.070 0.000 -1.891) 1.893 11.796 ( 3.744 0.000 -0.660) 3.801 11.837 ( -0.392 0.000 -0.017) 0.393 13.437 ( -1.415 0.000 3.370) 3.655 13.914 ( 2.070 0.000 3.427) 4.004 14.221 ( 2.344 0.000 -9.191) 9.485 14.228 ( -0.860 0.000 4.787) 4.864 14.270 ( -6.541 0.000 -1.616) 6.738 14.603 ( -5.038 0.000 9.767) 10.989 14.739 ( 3.478 0.000 2.461) 4.261 15.427 ( 3.774 0.000 -7.888) 8.744======================= Grid point 168 (77/205) =======================q-point: (-0.33 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.240 ( -31.115 0.000 16.149) 35.056 2.386 ( -32.709 0.000 16.997) 36.861 3.307 ( -36.294 0.000 13.031) 38.563 4.066 ( 11.864 0.000 10.359) 15.750 4.162 ( 0.735 0.000 -10.314) 10.341 4.367 ( -4.464 0.000 9.704) 10.682 4.766 ( -14.109 0.000 -0.793) 14.131 4.773 ( -9.031 0.000 2.982) 9.511 4.997 ( 11.523 0.000 -7.279) 13.629 5.060 ( -7.493 0.000 4.794) 8.895 6.046 ( 6.206 0.000 6.087) 8.693 6.224 ( 3.440 0.000 3.696) 5.050 8.139 ( 3.455 0.000 -3.935) 5.237 8.293 ( 1.476 0.000 -5.831) 6.015 8.359 ( 3.132 0.000 -2.756) 4.172 9.004 ( 19.030 0.000 1.785) 19.113 9.445 ( -3.916 0.000 -3.502) 5.254 9.538 ( -1.089 0.000 -1.971) 2.251 9.559 ( 2.949 0.000 -0.909) 3.086 9.881 ( -3.870 0.000 -19.790) 20.165 10.709 ( 2.916 0.000 1.225) 3.163 10.722 ( -0.766 0.000 -2.699) 2.806 10.894 ( -4.183 0.000 4.843) 6.400 11.108 ( -3.758 0.000 1.546) 4.064 11.326 ( 7.047 0.000 4.946) 8.609 11.473 ( -0.844 0.000 -2.139) 2.300 11.828 ( -0.658 0.000 -0.641) 0.918 11.857 ( 2.440 0.000 -0.684) 2.534 13.431 ( -1.800 0.000 3.483) 3.921 13.965 ( -0.081 0.000 4.973) 4.973 14.117 ( -7.358 0.000 -1.103) 7.440 14.192 ( 1.755 0.000 -9.754) 9.910 14.247 ( -1.602 0.000 4.086) 4.389 14.580 ( -4.251 0.000 9.816) 10.697 14.799 ( 1.422 0.000 1.087) 1.790 15.460 ( 5.576 0.000 -7.708) 9.513======================= Grid point 169 (78/205) =======================q-point: (-0.22 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.763 ( -32.172 0.000 17.286) 36.522 1.906 ( -31.689 0.000 23.208) 39.279 2.712 ( -38.359 0.000 32.006) 49.958 4.151 ( 3.891 0.000 -2.698) 4.735 4.283 ( -2.302 0.000 5.019) 5.522 4.307 ( -4.587 0.000 -2.461) 5.206 4.447 ( -10.825 0.000 0.358) 10.831 4.654 ( -8.157 0.000 9.399) 12.445 4.980 ( -5.152 0.000 5.893) 7.827 5.151 ( 8.894 0.000 -4.818) 10.115 6.146 ( 1.396 0.000 1.125) 1.793 6.271 ( 0.480 0.000 -1.532) 1.606 8.196 ( 4.879 0.000 -2.762) 5.607 8.293 ( 2.479 0.000 -4.897) 5.489 8.399 ( 2.989 0.000 -3.046) 4.268 9.357 ( 0.921 0.000 -6.323) 6.390 9.448 ( 20.015 0.000 0.138) 20.015 9.485 ( -1.890 0.000 0.794) 2.050 9.654 ( -4.506 0.000 -7.895) 9.090 9.669 ( 6.296 0.000 0.780) 6.344 10.691 ( -0.320 0.000 -2.384) 2.405 10.780 ( 3.499 0.000 0.552) 3.543 10.847 ( -3.665 0.000 3.429) 5.019 11.051 ( -2.412 0.000 0.109) 2.414 11.432 ( -1.503 0.000 -2.430) 2.857 11.523 ( 8.671 0.000 5.804) 10.434 11.787 ( -2.923 0.000 -1.492) 3.282 11.864 ( -1.163 0.000 -1.375) 1.801 13.421 ( -2.182 0.000 3.972) 4.532 13.977 ( -6.156 0.000 -0.087) 6.157 13.991 ( -1.508 0.000 6.495) 6.667 14.154 ( 2.207 0.000 -9.672) 9.920 14.195 ( -6.341 0.000 2.159) 6.698 14.607 ( -0.763 0.000 8.678) 8.711 14.812 ( -0.324 0.000 -0.393) 0.510 15.516 ( 6.052 0.000 -7.771) 9.849======================= Grid point 170 (79/205) =======================q-point: (-0.11 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.299 ( -26.253 0.000 24.663) 36.020 1.557 ( -24.315 0.000 30.755) 39.205 2.448 ( -21.314 0.000 52.320) 56.495 3.972 ( -16.194 0.000 -6.531) 17.462 4.187 ( -2.226 0.000 -9.308) 9.570 4.269 ( 7.040 0.000 5.193) 8.748 4.494 ( 1.728 0.000 6.066) 6.307 4.579 ( -8.144 0.000 11.086) 13.756 4.944 ( -3.704 0.000 6.927) 7.855 5.263 ( 5.801 0.000 -3.286) 6.667 6.122 ( -2.691 0.000 -3.758) 4.622 6.218 ( -2.660 0.000 -6.795) 7.297 8.278 ( 5.032 0.000 -1.619) 5.286 8.307 ( 2.391 0.000 -4.156) 4.795 8.422 ( 1.640 0.000 -2.859) 3.296 9.205 ( -8.614 0.000 -15.180) 17.454 9.451 ( 0.217 0.000 -0.841) 0.868 9.488 ( 0.545 0.000 3.506) 3.548 9.794 ( 5.003 0.000 2.300) 5.506 10.101 ( 29.823 0.000 9.309) 31.242 10.673 ( -0.328 0.000 -0.962) 1.016 10.812 ( -1.625 0.000 1.378) 2.131 10.835 ( 1.720 0.000 -1.078) 2.030 11.042 ( 2.367 0.000 0.051) 2.368 11.382 ( -1.344 0.000 -2.635) 2.958 11.671 ( -4.508 0.000 -1.173) 4.658 11.745 ( 5.998 0.000 4.488) 7.492 11.790 ( -5.298 0.000 -0.734) 5.348 13.408 ( -2.558 0.000 4.835) 5.470 13.891 ( -2.804 0.000 1.117) 3.018 13.993 ( -5.534 0.000 4.502) 7.134 14.076 ( -4.024 0.000 2.708) 4.851 14.141 ( 3.893 0.000 -8.794) 9.617 14.632 ( -3.899 0.000 6.856) 7.887 14.783 ( -1.807 0.000 -1.791) 2.544 15.569 ( 5.366 0.000 -7.827) 9.490======================= Grid point 171 (80/205) =======================q-point: ( 0.00 0.11 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.552 ( 13.821 17.794 27.977) 35.921 1.855 ( -4.634 30.105 27.800) 41.239 2.805 ( -5.128 17.917 52.192) 55.419 3.741 ( -5.247 5.199 -10.436) 12.786 4.183 ( 1.501 8.230 -10.283) 13.256 4.397 ( 5.732 -7.106 10.256) 13.730 4.495 ( -6.933 1.195 6.525) 9.596 4.603 ( -0.206 2.650 8.307) 8.722 4.899 ( -1.642 -3.747 7.634) 8.661 5.336 ( 2.778 0.618 -1.274) 3.118 5.962 ( -6.333 -2.638 -8.680) 11.064 6.064 ( -6.026 -0.582 -10.351) 11.991 8.265 ( 2.249 -5.179 -3.444) 6.614 8.326 ( 3.160 -3.519 -1.257) 4.894 8.400 ( 1.024 -1.662 -4.767) 5.151 8.880 ( -7.148 -5.669 -7.623) 11.888 9.430 ( 3.475 -4.420 4.678) 7.314 9.618 ( 2.568 3.181 2.505) 4.795 9.878 ( 1.972 -0.837 3.324) 3.955 10.323 ( 12.163 -18.557 5.719) 22.913 10.759 ( 4.108 0.927 -3.262) 5.327 10.792 ( -1.438 1.771 -1.840) 2.931 10.877 ( 0.735 2.983 -1.181) 3.291 11.141 ( 2.852 -1.133 -4.788) 5.687 11.336 ( 0.087 -1.208 4.756) 4.908 11.475 ( -3.698 -2.491 -0.376) 4.475 11.851 ( -5.948 13.320 -1.036) 14.625 11.968 ( 4.872 7.265 1.991) 8.971 13.379 ( -1.913 -1.794 4.707) 5.388 13.791 ( -4.201 -2.839 0.323) 5.080 13.962 ( -1.903 3.443 1.917) 4.376 14.154 ( 2.180 3.668 6.010) 7.370 14.221 ( 5.292 4.238 -6.212) 9.195 14.586 ( -5.937 2.564 7.324) 9.770 14.701 ( -3.775 -2.284 -2.025) 4.855 15.559 ( 3.792 -3.967 -7.743) 9.490======================= Grid point 172 (81/205) =======================q-point: ( 0.11 0.11 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.063 ( 6.250 30.695 24.714) 39.900 2.179 ( 23.008 13.766 26.955) 38.019 3.274 ( 12.988 11.117 48.340) 51.275 3.684 ( 8.410 4.353 -12.604) 15.765 4.156 ( 1.430 7.590 -6.751) 10.258 4.387 ( -5.535 0.322 2.512) 6.087 4.480 ( -5.572 4.437 6.818) 9.860 4.758 ( 6.739 -5.743 13.569) 16.202 4.955 ( 1.863 -3.919 8.165) 9.247 5.373 ( 1.526 2.193 0.237) 2.683 5.730 ( -8.922 -2.857 -12.842) 15.896 5.835 ( -7.894 -1.099 -13.276) 15.485 8.272 ( 1.409 -4.973 -3.478) 6.230 8.353 ( -0.769 -4.442 0.022) 4.508 8.371 ( 0.555 -2.487 -4.887) 5.511 8.724 ( -4.231 -5.177 -6.299) 9.186 9.537 ( 3.712 -3.493 4.019) 6.491 9.693 ( 2.847 2.416 2.333) 4.403 9.903 ( -2.150 -0.874 3.219) 3.968 10.488 ( 3.964 -13.192 0.970) 13.809 10.742 ( -1.702 0.472 -1.760) 2.493 10.810 ( 3.351 1.374 -3.234) 4.856 10.851 ( -2.002 1.656 -2.937) 3.921 11.150 ( 2.387 -1.417 -4.053) 4.912 11.265 ( -8.388 -1.682 2.928) 9.042 11.519 ( 3.616 -1.366 1.819) 4.272 11.756 ( -3.170 11.268 0.388) 11.712 12.042 ( 1.826 7.763 0.154) 7.976 13.383 ( -1.333 -1.139 4.793) 5.104 13.726 ( -1.683 -1.325 -1.223) 2.467 13.992 ( 2.511 0.009 2.881) 3.822 14.250 ( 2.578 3.618 4.851) 6.578 14.293 ( 6.114 4.439 -3.600) 8.369 14.536 ( -4.737 4.121 8.081) 10.234 14.613 ( -3.213 -3.098 -2.946) 5.348 15.556 ( 1.820 -4.000 -7.439) 8.640======================= Grid point 173 (82/205) =======================q-point: ( 0.22 0.11 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.426 ( 12.656 25.689 21.767) 35.971 2.781 ( 15.642 10.071 29.931) 35.242 3.810 ( 14.849 2.065 -9.994) 18.018 3.994 ( 21.295 8.696 25.125) 34.064 4.068 ( -8.301 1.744 13.049) 15.563 4.355 ( -11.955 7.767 7.121) 15.936 4.380 ( 8.431 6.323 -10.079) 14.582 4.963 ( 4.502 -6.752 9.593) 12.565 5.094 ( 4.175 -6.454 6.858) 10.301 5.396 ( -1.314 5.348 0.975) 5.592 5.449 ( -7.674 -2.212 -12.911) 15.181 5.588 ( -6.033 -1.128 -9.941) 11.683 8.269 ( 0.431 -5.586 -3.520) 6.617 8.301 ( -1.417 -3.847 -2.947) 5.049 8.351 ( -0.860 -4.805 -1.897) 5.237 8.599 ( -3.729 -5.717 -7.049) 9.812 9.624 ( 2.618 -2.945 1.983) 4.411 9.747 ( 1.037 1.528 0.618) 1.948 9.844 ( -5.233 -0.654 1.200) 5.409 10.519 ( 0.341 -8.424 -4.743) 9.673 10.712 ( -0.466 0.447 -0.549) 0.847 10.755 ( -2.898 1.949 -3.476) 4.927 10.874 ( 3.446 0.234 0.371) 3.473 11.116 ( -5.948 -1.669 0.059) 6.178 11.185 ( 0.756 1.230 0.479) 1.521 11.558 ( -1.253 0.474 3.500) 3.747 11.728 ( -0.489 6.237 -0.449) 6.273 12.049 ( -0.354 9.026 -1.305) 9.127 13.398 ( -0.832 -0.693 4.456) 4.586 13.714 ( 1.482 -0.678 -1.386) 2.140 14.072 ( 3.287 -4.071 1.337) 5.401 14.310 ( -0.459 4.193 5.362) 6.823 14.395 ( 6.515 4.994 -2.229) 8.506 14.528 ( -2.653 -1.636 -0.528) 3.161 14.549 ( -0.788 2.898 5.772) 6.506 15.518 ( 0.250 -3.798 -7.380) 8.304======================= Grid point 174 (83/205) =======================q-point: ( 0.33 0.11 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.861 ( 15.438 19.850 18.918) 31.468 3.209 ( 3.131 6.388 28.801) 29.666 3.813 ( -12.703 4.509 7.986) 15.667 3.924 ( -9.387 7.691 1.804) 12.269 4.209 ( 3.881 -1.160 -7.416) 8.450 4.501 ( 12.659 7.084 -13.831) 20.043 4.711 ( 19.490 5.874 23.180) 30.849 5.038 ( -4.413 -5.146 -1.075) 6.864 5.124 ( 1.780 -2.361 2.012) 3.576 5.231 ( -4.771 0.272 -8.789) 10.004 5.317 ( -3.010 -0.331 -2.660) 4.030 5.634 ( 6.304 1.943 12.125) 13.803 8.197 ( -3.181 -5.466 -4.074) 7.523 8.311 ( -1.214 -5.452 -1.618) 5.815 8.315 ( 3.887 -5.342 -3.319) 7.393 8.470 ( -3.729 -6.440 -7.469) 10.544 9.656 ( -0.450 -3.662 -1.611) 4.026 9.692 ( -5.949 0.080 0.321) 5.958 9.781 ( -0.402 1.325 -2.937) 3.248 10.423 ( -2.847 -3.082 -11.971) 12.685 10.676 ( -2.299 0.462 0.137) 2.349 10.743 ( 1.456 -0.722 0.251) 1.644 10.945 ( 1.467 0.902 3.136) 3.578 11.033 ( -1.981 -0.566 1.424) 2.505 11.207 ( 0.434 1.616 1.520) 2.261 11.553 ( -0.842 1.960 1.839) 2.816 11.709 ( -1.440 2.486 0.272) 2.886 12.023 ( -0.656 10.320 -2.015) 10.536 13.416 ( -0.746 -0.566 3.928) 4.038 13.755 ( 3.142 -0.929 -0.331) 3.293 14.124 ( 2.029 -5.743 -0.994) 6.171 14.319 ( -2.077 5.037 4.217) 6.889 14.454 ( -2.884 -2.945 -2.149) 4.648 14.519 ( 6.446 4.263 0.262) 7.733 14.614 ( 0.526 4.368 8.180) 9.288 15.460 ( -0.068 -3.291 -7.674) 8.350======================= Grid point 175 (84/205) =======================q-point: (-0.56 0.11 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.138 ( -17.789 3.500 14.748) 23.371 3.301 ( 2.101 14.866 16.936) 22.632 3.601 ( -15.881 9.331 5.998) 19.372 3.825 ( -0.723 8.055 20.421) 21.964 4.292 ( 8.155 -3.191 -14.895) 17.278 4.595 ( 8.464 1.337 -15.246) 17.489 4.730 ( -11.683 2.749 -3.109) 12.398 5.067 ( -3.170 -0.485 1.103) 3.391 5.085 ( -2.951 1.036 -1.297) 3.386 5.260 ( -1.231 1.561 4.789) 5.185 5.440 ( 16.425 2.626 13.182) 21.223 5.870 ( 7.039 0.082 12.625) 14.455 8.111 ( -1.838 -5.980 -4.758) 7.860 8.277 ( -0.444 -5.619 -1.850) 5.932 8.350 ( -2.423 -6.630 -7.427) 10.246 8.413 ( 8.436 -6.260 -2.677) 10.841 9.545 ( -4.367 -1.996 -3.965) 6.227 9.636 ( -2.546 -1.523 -1.735) 3.437 9.733 ( -1.727 1.379 -4.647) 5.146 10.258 ( -3.279 -1.568 -14.941) 15.377 10.642 ( -1.490 -0.506 0.798) 1.765 10.771 ( 1.475 0.188 -0.775) 1.677 10.949 ( -3.057 0.798 5.215) 6.098 11.076 ( 2.867 -0.352 2.675) 3.937 11.220 ( -0.742 2.378 2.304) 3.393 11.562 ( 1.174 4.006 -0.383) 4.192 11.685 ( -1.556 -0.787 1.764) 2.480 12.005 ( 0.826 11.386 -2.290) 11.643 13.427 ( -1.036 -0.616 3.496) 3.698 13.822 ( 3.179 -1.645 1.383) 3.837 14.147 ( 1.817 -5.031 -2.110) 5.750 14.297 ( -3.041 2.601 2.318) 4.624 14.375 ( -3.271 -0.466 -2.093) 3.912 14.629 ( 2.043 3.691 3.831) 5.698 14.686 ( 1.597 4.156 6.710) 8.052 15.410 ( 1.294 -2.879 -7.998) 8.598======================= Grid point 176 (85/205) =======================q-point: (-0.44 0.11 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.742 ( -29.045 3.695 13.878) 32.401 3.022 ( -28.594 11.519 8.040) 31.858 3.757 ( 4.579 7.979 12.837) 15.793 3.913 ( -3.672 12.822 13.916) 19.276 4.237 ( -0.241 -2.444 -15.724) 15.914 4.481 ( -10.466 7.454 7.532) 14.893 4.679 ( 7.446 -9.423 -8.608) 14.776 4.948 ( -8.588 -0.914 0.502) 8.651 5.046 ( -1.891 6.526 -1.070) 6.878 5.219 ( -5.322 3.137 3.528) 7.114 5.821 ( 11.506 1.717 11.093) 16.074 6.077 ( 5.546 -0.711 9.051) 10.639 8.065 ( 1.042 -6.203 -4.830) 7.931 8.257 ( 0.080 -6.471 -4.959) 8.153 8.285 ( 1.543 -5.371 -4.295) 7.048 8.609 ( 13.491 -7.131 -1.379) 15.322 9.466 ( -1.007 -3.245 -4.310) 5.488 9.559 ( -2.805 -0.348 -2.342) 3.671 9.650 ( -2.840 1.358 -4.858) 5.789 10.070 ( -3.774 -2.045 -16.681) 17.225 10.636 ( 0.309 -1.318 0.771) 1.558 10.785 ( 0.948 2.155 -1.726) 2.919 10.925 ( -3.649 0.430 5.476) 6.595 11.154 ( 2.716 -1.637 4.081) 5.168 11.208 ( -2.053 3.254 1.739) 4.222 11.579 ( 0.844 7.939 -1.273) 8.085 11.689 ( 0.368 -4.421 2.478) 5.082 12.023 ( 2.735 12.216 -2.380) 12.742 13.428 ( -1.528 -0.801 3.270) 3.697 13.892 ( 2.045 -2.288 3.143) 4.393 14.164 ( 2.066 -4.503 -4.190) 6.489 14.222 ( -5.724 -1.777 1.482) 6.174 14.315 ( -1.793 4.686 -0.588) 5.052 14.650 ( -3.146 4.914 6.406) 8.665 14.772 ( 2.240 2.714 4.074) 5.383 15.395 ( 3.579 -3.076 -8.028) 9.312======================= Grid point 177 (86/205) =======================q-point: (-0.33 0.11 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.290 ( -29.100 6.537 17.062) 34.361 2.505 ( -31.240 10.540 10.331) 34.550 3.485 ( -31.583 17.624 14.443) 38.944 4.118 ( -0.508 -4.473 -9.252) 10.289 4.152 ( 10.292 8.376 8.847) 15.949 4.434 ( -4.095 6.383 9.467) 12.130 4.704 ( -4.667 -5.659 -0.939) 7.395 4.785 ( -7.510 -1.137 0.422) 7.607 4.929 ( -7.526 0.588 0.462) 7.563 5.180 ( 0.551 6.766 0.292) 6.795 6.049 ( 5.406 0.186 6.268) 8.279 6.216 ( 3.288 -0.740 4.386) 5.531 8.079 ( 3.827 -5.920 -4.168) 8.189 8.232 ( 1.934 -6.045 -5.713) 8.539 8.313 ( 3.635 -4.587 -3.381) 6.760 8.911 ( 17.685 -9.152 0.660) 19.923 9.395 ( -3.263 -3.840 -2.918) 5.823 9.538 ( -0.188 -2.257 -3.258) 3.968 9.571 ( 0.543 2.044 -2.459) 3.243 9.863 ( -4.441 -1.334 -15.469) 16.150 10.659 ( 1.533 -1.873 -0.291) 2.438 10.790 ( 1.246 3.834 -1.501) 4.302 10.889 ( -3.908 0.354 4.455) 5.937 11.168 ( -2.841 4.894 1.020) 5.750 11.250 ( 3.605 -5.143 3.919) 7.403 11.582 ( 0.221 7.894 0.628) 7.922 11.718 ( 0.774 -2.695 0.785) 2.912 12.059 ( 2.422 12.671 -2.638) 13.167 13.419 ( -2.004 -1.204 3.258) 4.010 13.941 ( -0.130 -2.595 4.363) 5.078 14.091 ( -5.870 -2.530 -0.248) 6.396 14.185 ( 1.880 -0.625 -5.811) 6.139 14.286 ( -2.252 3.844 2.341) 5.033 14.627 ( -3.876 5.031 6.786) 9.294 14.823 ( 0.426 1.816 2.569) 3.175 15.423 ( 5.432 -3.603 -7.925) 10.261======================= Grid point 178 (87/205) =======================q-point: (-0.22 0.11 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.851 ( -31.003 9.182 15.123) 35.696 2.036 ( -26.557 12.924 22.247) 36.976 2.980 ( -33.718 25.577 27.605) 50.529 4.091 ( 2.644 -6.108 -1.584) 6.842 4.314 ( -3.826 4.904 0.914) 6.287 4.427 ( -1.298 9.779 2.073) 10.080 4.456 ( -11.219 0.750 -0.798) 11.272 4.665 ( -7.700 0.609 7.511) 10.774 4.876 ( -1.890 -7.064 4.652) 8.667 5.223 ( 3.781 4.590 -1.740) 6.196 6.135 ( 0.766 -1.070 1.285) 1.839 6.266 ( 0.326 -0.500 -0.758) 0.965 8.143 ( 5.367 -5.353 -3.131) 8.202 8.242 ( 3.080 -5.024 -4.873) 7.647 8.361 ( 3.860 -3.668 -3.767) 6.523 9.257 ( 13.852 -13.702 -8.576) 21.288 9.335 ( -0.342 -4.949 0.999) 5.060 9.465 ( -0.011 -2.964 0.566) 3.018 9.617 ( 1.458 -0.943 -1.872) 2.553 9.729 ( 1.148 3.216 -1.392) 3.688 10.682 ( 1.792 -0.473 -1.979) 2.712 10.820 ( 2.356 3.242 -0.481) 4.037 10.850 ( -2.759 1.097 2.774) 4.063 11.121 ( -1.894 5.135 -0.528) 5.499 11.324 ( 0.928 -6.096 1.968) 6.473 11.613 ( 0.267 0.127 4.073) 4.083 11.730 ( 1.675 5.432 -0.778) 5.737 12.058 ( -0.564 12.790 -3.355) 13.234 13.402 ( -2.335 -1.788 3.555) 4.614 13.936 ( -3.852 -2.935 2.482) 5.442 14.009 ( -2.884 0.279 3.994) 4.934 14.167 ( 1.450 1.814 -6.882) 7.263 14.239 ( -4.341 3.403 1.233) 5.652 14.623 ( -1.837 2.769 6.632) 7.418 14.827 ( -1.465 0.720 1.043) 1.937 15.477 ( 6.076 -3.873 -7.955) 10.734======================= Grid point 179 (88/205) =======================q-point: (-0.11 0.11 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.421 ( -21.438 14.599 22.427) 34.288 1.834 ( -15.570 21.868 28.827) 39.391 2.699 ( -21.793 25.603 43.170) 54.718 4.021 ( -15.763 4.883 -6.267) 17.652 4.195 ( 5.583 -6.631 5.765) 10.410 4.271 ( -1.728 7.170 -8.505) 11.257 4.532 ( 1.665 3.852 4.153) 5.904 4.589 ( -7.348 0.493 10.599) 12.906 4.883 ( -2.242 -4.991 7.081) 8.949 5.284 ( 3.798 1.516 -1.981) 4.544 6.102 ( -3.114 -1.967 -3.794) 5.288 6.214 ( -2.982 -0.390 -5.884) 6.608 8.224 ( 4.660 -5.428 -2.690) 7.643 8.273 ( 3.578 -3.527 -3.533) 6.142 8.397 ( 2.857 -2.321 -4.362) 5.708 9.122 ( -7.862 -8.437 -14.924) 18.860 9.350 ( 1.207 -5.269 3.238) 6.301 9.567 ( 1.614 2.878 0.294) 3.313 9.776 ( 7.091 -3.095 3.257) 8.395 9.923 ( 17.518 -11.549 12.691) 24.522 10.709 ( 3.103 1.576 -2.809) 4.472 10.822 ( -1.296 1.857 0.468) 2.312 10.861 ( 1.630 2.290 -0.431) 2.844 11.106 ( 1.763 3.897 -1.761) 4.626 11.323 ( -1.300 -3.323 1.062) 3.723 11.579 ( -5.519 -5.571 1.723) 8.029 11.829 ( 6.616 9.617 2.269) 11.891 11.982 ( -4.500 12.685 -3.272) 13.852 13.386 ( -2.300 -2.101 4.178) 5.211 13.865 ( -4.206 -2.155 1.421) 4.935 14.006 ( -2.754 0.607 4.826) 5.589 14.122 ( -2.858 4.673 0.794) 5.535 14.188 ( 2.534 3.927 -6.084) 7.672 14.630 ( -3.254 1.067 6.074) 6.973 14.782 ( -3.308 -0.769 -0.547) 3.440 15.529 ( 5.414 -3.915 -7.959) 10.391======================= Grid point 180 (89/205) =======================q-point: ( 0.00 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.990 ( 13.258 25.952 22.335) 36.717 2.405 ( 0.470 25.576 26.665) 36.951 3.333 ( -6.432 34.539 34.283) 49.088 3.876 ( -5.965 8.208 -8.942) 13.524 4.192 ( 6.633 -13.564 12.674) 19.712 4.379 ( 2.199 9.484 -8.536) 12.947 4.512 ( -7.916 -0.183 7.966) 11.232 4.629 ( 2.221 -0.026 0.842) 2.375 4.873 ( -2.471 3.255 9.041) 9.922 5.334 ( 2.481 -1.216 0.556) 2.818 5.898 ( -7.214 -3.661 -8.390) 11.655 6.043 ( -7.348 -1.656 -8.270) 11.186 8.138 ( 2.716 -7.465 -3.369) 8.629 8.219 ( 2.587 -7.211 -1.527) 7.811 8.364 ( 2.149 -2.012 -8.148) 8.663 8.738 ( -5.208 -8.635 -7.949) 12.840 9.359 ( 4.087 -2.826 5.086) 7.111 9.643 ( 3.419 -0.975 0.250) 3.564 9.845 ( 2.865 -3.104 4.005) 5.821 9.997 ( 9.079 -13.714 10.300) 19.406 10.750 ( 1.240 -0.475 -1.389) 1.922 10.838 ( -1.411 1.510 -1.575) 2.599 10.933 ( 0.189 2.843 -1.316) 3.139 11.087 ( 2.939 -3.011 -4.733) 6.333 11.369 ( -4.065 3.286 6.362) 8.234 11.446 ( -1.863 -0.088 3.112) 3.628 12.101 ( -2.015 11.481 -2.048) 11.836 12.168 ( 2.730 13.675 -2.209) 14.119 13.338 ( -1.024 -2.116 3.812) 4.478 13.760 ( -3.560 -0.259 0.369) 3.588 13.967 ( -2.844 -3.362 4.751) 6.478 14.258 ( 2.217 6.746 3.002) 7.709 14.316 ( 4.305 5.369 -2.956) 7.489 14.608 ( -4.908 -6.615 -0.650) 8.263 14.690 ( -3.588 6.969 3.721) 8.677 15.460 ( 3.665 -5.948 -7.752) 10.436======================= Grid point 181 (90/205) =======================q-point: ( 0.11 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.526 ( 20.890 21.378 21.757) 36.970 2.664 ( 6.434 27.896 22.023) 36.119 3.623 ( 8.507 24.597 33.422) 42.360 3.807 ( 6.378 8.547 -6.782) 12.638 4.318 ( -8.260 5.348 4.563) 10.847 4.388 ( 5.974 -1.427 -1.029) 6.228 4.500 ( 4.843 -1.830 4.173) 6.649 4.693 ( 1.729 0.154 5.435) 5.705 4.900 ( -1.845 0.814 10.568) 10.758 5.400 ( 3.097 0.019 2.253) 3.830 5.656 ( -8.849 -4.466 -13.036) 16.376 5.802 ( -9.442 -2.329 -10.988) 14.674 8.147 ( 1.076 -7.431 -3.366) 8.229 8.235 ( -0.339 -7.499 -0.526) 7.525 8.313 ( -0.952 -3.225 -7.181) 7.929 8.593 ( -4.147 -7.916 -7.121) 11.427 9.481 ( 4.200 -2.194 4.374) 6.449 9.708 ( 3.192 -1.034 -0.241) 3.364 9.874 ( -2.132 -2.174 3.390) 4.556 10.215 ( 6.168 -14.216 5.642) 16.492 10.741 ( -0.743 -0.086 -1.210) 1.422 10.824 ( 0.439 -0.313 0.110) 0.551 10.894 ( -1.319 3.214 -4.445) 5.642 11.117 ( 2.853 -1.375 -3.844) 4.981 11.280 ( -7.151 2.357 4.390) 8.716 11.493 ( 1.056 -0.810 5.017) 5.191 12.012 ( -3.903 14.385 -1.411) 14.972 12.227 ( 3.357 11.032 -2.525) 11.804 13.356 ( -0.349 -1.605 3.993) 4.318 13.713 ( -0.969 0.388 -0.738) 1.279 13.956 ( -1.648 -4.253 4.264) 6.243 14.343 ( 2.587 5.390 4.200) 7.306 14.391 ( 4.815 5.335 -0.481) 7.203 14.512 ( -3.502 -7.433 -1.894) 8.432 14.660 ( -1.912 8.464 2.971) 9.172 15.456 ( 1.911 -5.997 -7.403) 9.717======================= Grid point 182 (91/205) =======================q-point: ( 0.22 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.976 ( 10.007 27.889 17.760) 34.545 3.046 ( 13.701 17.001 24.751) 33.006 3.875 ( 13.249 4.529 -11.493) 18.115 4.134 ( -12.900 5.028 9.355) 16.710 4.242 ( 20.243 16.774 26.296) 37.184 4.469 ( 1.068 4.481 -0.460) 4.629 4.585 ( 2.904 11.535 -3.286) 12.340 4.805 ( 3.577 -7.547 10.443) 13.372 4.981 ( 2.442 -4.836 7.815) 9.509 5.386 ( -5.543 -4.197 -14.248) 15.854 5.451 ( -4.556 -0.537 -3.968) 6.065 5.575 ( -2.620 0.245 -0.166) 2.636 8.133 ( -0.099 -8.092 -3.554) 8.838 8.195 ( -2.378 -7.044 -1.845) 7.660 8.239 ( -1.573 -6.040 -4.733) 7.833 8.456 ( -4.266 -8.516 -7.739) 12.273 9.572 ( 2.362 -2.375 1.795) 3.800 9.747 ( 0.766 -1.696 -1.550) 2.422 9.827 ( -3.762 -1.032 1.203) 4.082 10.322 ( 2.431 -11.354 0.682) 11.632 10.727 ( 0.217 1.109 -0.288) 1.166 10.786 ( -3.259 1.207 -3.089) 4.650 10.893 ( 3.400 2.025 -0.231) 3.964 11.099 ( -3.417 -0.204 -0.130) 3.426 11.220 ( -0.651 2.490 1.477) 2.967 11.531 ( -1.165 -2.056 5.149) 5.666 11.936 ( -3.397 13.594 -0.461) 14.020 12.251 ( 1.621 11.365 -3.637) 12.042 13.381 ( -0.267 -1.068 3.872) 4.025 13.710 ( 1.314 0.543 -1.097) 1.796 13.967 ( -0.338 -6.849 3.339) 7.627 14.387 ( -2.238 -1.860 2.796) 4.035 14.438 ( 0.198 0.565 1.126) 1.275 14.515 ( 4.997 4.696 0.433) 6.871 14.669 ( 0.796 8.307 2.413) 8.687 15.425 ( 0.744 -5.565 -7.253) 9.172======================= Grid point 183 (92/205) =======================q-point: ( 0.33 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.303 ( 8.200 21.391 15.480) 27.648 3.400 ( 3.789 15.534 21.606) 26.879 3.955 ( -8.394 9.758 11.224) 17.078 4.047 ( 9.197 3.257 -9.742) 13.788 4.261 ( -16.335 7.582 1.744) 18.093 4.625 ( 8.504 4.774 -16.118) 18.839 4.868 ( 11.633 5.688 10.667) 16.777 4.936 ( 5.900 -0.843 12.358) 13.720 5.078 ( 4.467 -2.159 3.834) 6.270 5.230 ( -4.254 -0.769 -7.230) 8.423 5.279 ( -1.019 -2.586 -1.250) 3.047 5.688 ( 4.430 3.112 12.366) 13.499 8.061 ( -3.463 -8.102 -4.715) 9.993 8.174 ( 1.843 -8.907 -2.354) 9.396 8.180 ( -1.163 -7.619 -3.256) 8.367 8.314 ( -3.743 -8.999 -8.085) 12.663 9.582 ( -1.581 -3.751 -2.480) 4.766 9.692 ( -3.974 -0.323 -0.456) 4.013 9.788 ( -0.176 -0.388 -3.215) 3.243 10.315 ( -1.166 -7.868 -5.955) 9.936 10.701 ( -2.940 2.176 -1.538) 3.968 10.747 ( 1.788 1.044 -0.993) 2.297 10.971 ( 2.200 1.755 3.243) 4.294 11.039 ( -2.323 1.134 2.763) 3.784 11.240 ( 1.284 1.882 0.503) 2.333 11.538 ( -1.331 -2.276 4.258) 5.009 11.870 ( -3.364 12.328 0.348) 12.784 12.244 ( 1.023 11.951 -4.150) 12.692 13.402 ( -0.533 -0.759 3.605) 3.723 13.740 ( 1.942 -0.494 0.019) 2.004 13.991 ( 0.979 -8.071 1.253) 8.227 14.330 ( -3.714 -6.520 0.191) 7.506 14.459 ( -0.847 5.770 3.544) 6.824 14.624 ( 5.031 5.434 1.803) 7.621 14.720 ( 1.751 6.937 3.386) 7.915 15.380 ( 0.597 -4.699 -7.430) 8.811======================= Grid point 184 (93/205) =======================q-point: (-0.56 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.259 ( -19.028 9.335 10.623) 23.708 3.670 ( 1.186 21.209 11.980) 24.388 3.804 ( -14.185 11.540 1.867) 18.381 4.041 ( 1.393 13.607 21.004) 25.065 4.228 ( 8.294 -3.471 -11.683) 14.742 4.551 ( -0.563 -4.761 -18.248) 18.867 4.836 ( -6.289 5.495 -2.895) 8.839 5.029 ( -4.551 -1.182 5.278) 7.069 5.155 ( 1.047 4.338 0.236) 4.469 5.263 ( 1.143 -1.403 3.781) 4.192 5.522 ( 15.886 5.930 14.564) 22.352 5.884 ( 4.921 1.438 13.495) 14.436 7.963 ( -2.123 -8.769 -5.423) 10.527 8.142 ( -0.289 -7.860 -2.611) 8.287 8.166 ( -1.384 -11.550 -6.415) 13.284 8.270 ( 6.673 -8.260 -4.247) 11.436 9.491 ( -3.377 -3.034 -5.012) 6.762 9.622 ( -3.027 -0.521 -1.646) 3.485 9.743 ( -1.339 -0.144 -5.030) 5.207 10.196 ( -3.874 -4.927 -11.141) 12.783 10.649 ( -1.752 1.370 -0.272) 2.241 10.779 ( 2.464 0.482 -1.649) 3.004 10.980 ( -3.042 2.444 5.444) 6.698 11.080 ( 1.576 0.731 3.782) 4.162 11.268 ( 0.807 2.693 1.314) 3.103 11.564 ( 1.230 -2.044 3.614) 4.331 11.813 ( -2.756 11.721 0.583) 12.055 12.240 ( 2.147 12.243 -4.244) 13.134 13.414 ( -1.043 -0.631 3.354) 3.568 13.781 ( 1.510 -2.489 1.992) 3.527 14.023 ( 2.069 -7.826 -1.050) 8.163 14.256 ( -3.965 -5.064 0.315) 6.439 14.455 ( -1.824 6.710 2.343) 7.337 14.728 ( 3.569 4.740 2.926) 6.615 14.772 ( 0.151 5.740 4.807) 7.488 15.341 ( 1.462 -3.962 -7.789) 8.860======================= Grid point 185 (94/205) =======================q-point: (-0.44 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.898 ( -24.757 12.207 10.357) 29.482 3.255 ( -26.607 12.205 0.599) 29.279 4.006 ( 5.410 16.075 11.473) 20.477 4.166 ( -5.618 0.750 -2.837) 6.338 4.201 ( 0.856 10.974 4.511) 11.896 4.468 ( 2.808 -11.384 -7.451) 13.893 4.681 ( -7.643 11.664 4.596) 14.683 4.933 ( -8.056 -0.368 3.404) 8.753 5.151 ( -3.998 3.807 1.063) 5.621 5.284 ( -0.512 3.205 1.684) 3.657 5.868 ( 9.056 3.162 11.366) 14.872 6.067 ( 4.322 -0.044 10.575) 11.424 7.912 ( 1.300 -9.094 -5.397) 10.654 8.090 ( 0.215 -10.731 -6.334) 12.463 8.154 ( 3.040 -7.296 -3.800) 8.770 8.433 ( 12.217 -10.491 -2.544) 16.303 9.403 ( -1.968 -2.922 -4.865) 6.007 9.544 ( -2.768 -1.479 -3.163) 4.456 9.666 ( -2.187 0.519 -5.260) 5.720 10.015 ( -5.000 -3.443 -12.244) 13.666 10.630 ( -0.007 0.718 -0.138) 0.732 10.817 ( 2.883 0.899 -2.055) 3.653 10.956 ( -3.573 2.669 4.943) 6.657 11.119 ( -0.622 -1.743 4.271) 4.655 11.288 ( -0.282 4.843 2.362) 5.396 11.628 ( 1.138 -1.898 4.393) 4.919 11.782 ( 0.218 12.329 -0.757) 12.354 12.266 ( 3.781 12.269 -4.274) 13.532 13.412 ( -1.769 -0.700 3.160) 3.688 13.828 ( 0.983 -4.168 3.785) 5.715 14.040 ( 0.435 -7.858 -2.035) 8.129 14.195 ( -1.862 -1.469 -0.094) 2.374 14.428 ( -2.524 6.656 1.632) 7.304 14.779 ( -0.749 7.886 2.404) 8.278 14.813 ( -0.151 1.118 6.410) 6.508 15.323 ( 3.093 -3.988 -8.153) 9.589======================= Grid point 186 (95/205) =======================q-point: (-0.33 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.498 ( -25.190 14.522 12.756) 31.751 2.753 ( -26.479 15.025 4.637) 30.796 3.917 ( -22.147 24.115 14.200) 35.688 3.993 ( -3.950 -7.480 -7.456) 11.276 4.328 ( 6.021 4.880 2.932) 8.286 4.493 ( 1.200 -2.157 2.107) 3.246 4.663 ( -0.730 8.024 7.295) 10.869 4.784 ( -10.189 1.203 4.472) 11.192 4.995 ( -11.325 4.508 -0.280) 12.192 5.285 ( -0.282 3.886 0.688) 3.957 6.052 ( 3.125 0.178 6.949) 7.621 6.202 ( 2.673 -0.497 6.114) 6.692 7.932 ( 4.596 -8.776 -4.719) 10.973 8.076 ( 3.057 -9.863 -5.921) 11.903 8.204 ( 5.151 -5.959 -4.344) 8.995 8.687 ( 15.086 -13.241 -1.806) 20.154 9.325 ( -3.050 -3.204 -3.016) 5.354 9.470 ( -2.096 -4.469 -6.059) 7.815 9.603 ( -0.260 1.462 -2.481) 2.891 9.843 ( -3.774 -0.838 -8.236) 9.098 10.645 ( 1.668 0.298 -0.486) 1.763 10.855 ( 2.673 2.589 -2.211) 4.328 10.922 ( -3.173 2.849 3.609) 5.586 11.130 ( -1.018 -5.532 2.659) 6.222 11.297 ( -0.935 6.643 3.734) 7.678 11.637 ( -3.736 -0.313 5.306) 6.497 11.830 ( 5.220 11.717 -2.143) 13.005 12.306 ( 3.226 12.183 -4.505) 13.384 13.393 ( -2.513 -1.101 3.033) 4.090 13.871 ( -0.078 -4.321 4.748) 6.421 14.006 ( -2.442 -6.066 -0.315) 6.547 14.189 ( 1.744 0.821 -2.229) 2.947 14.384 ( -3.310 5.955 1.668) 7.014 14.762 ( -2.731 8.395 2.860) 9.280 14.838 ( -2.184 -0.975 5.395) 5.902 15.339 ( 4.987 -4.613 -8.301) 10.727======================= Grid point 187 (96/205) =======================q-point: (-0.22 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.103 ( -25.756 16.492 13.049) 33.251 2.373 ( -19.131 21.247 16.813) 33.168 3.571 ( -24.439 32.504 20.030) 45.332 3.922 ( -0.169 -11.161 0.546) 11.176 4.401 ( -1.110 -7.878 -2.087) 8.225 4.456 ( -6.405 9.122 -0.762) 11.172 4.631 ( -9.024 5.731 8.477) 13.643 4.700 ( -0.687 9.147 -0.568) 9.191 4.811 ( -5.786 0.614 6.434) 8.675 5.285 ( 0.143 1.598 0.061) 1.606 6.108 ( -0.779 -1.618 2.093) 2.758 6.253 ( -0.432 -0.776 1.181) 1.478 8.006 ( 6.049 -8.258 -3.812) 10.923 8.110 ( 4.519 -8.485 -4.930) 10.803 8.279 ( 6.137 -4.205 -5.344) 9.160 8.938 ( 10.960 -17.342 -6.521) 21.526 9.259 ( -1.891 -3.317 0.089) 3.819 9.386 ( -0.262 -4.709 -1.270) 4.884 9.612 ( 1.359 0.163 -0.412) 1.430 9.776 ( 0.459 1.465 -0.227) 1.552 10.681 ( 2.531 0.420 -1.115) 2.797 10.887 ( 1.972 3.567 -1.290) 4.275 10.896 ( -1.427 3.344 1.624) 3.982 11.113 ( -1.289 -6.518 -0.900) 6.705 11.318 ( -0.376 5.744 4.961) 7.599 11.588 ( -5.264 -0.429 5.271) 7.462 11.925 ( 6.044 11.936 -1.844) 13.506 12.305 ( 0.169 12.350 -4.874) 13.278 13.364 ( -2.752 -1.724 3.107) 4.494 13.883 ( -2.304 -2.232 3.003) 4.395 13.969 ( -2.024 -4.799 3.489) 6.269 14.213 ( 2.940 2.691 -3.728) 5.458 14.323 ( -4.092 5.404 1.471) 6.937 14.728 ( -2.664 7.183 2.426) 8.036 14.811 ( -4.304 -2.549 4.222) 6.546 15.384 ( 5.932 -5.206 -8.222) 11.397======================= Grid point 188 (97/205) =======================q-point: (-0.11 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.813 ( -12.599 24.207 19.100) 33.310 2.274 ( -8.474 23.807 25.639) 35.999 3.336 ( -17.444 36.754 27.052) 48.857 3.998 ( 4.260 -13.296 8.222) 16.203 4.140 ( -14.300 6.596 -5.468) 16.670 4.417 ( -0.092 2.446 -5.118) 5.673 4.573 ( -3.280 2.258 5.613) 6.882 4.632 ( -3.928 4.743 0.859) 6.218 4.840 ( -0.982 2.531 8.871) 9.277 5.297 ( 1.224 -0.611 -0.162) 1.377 6.055 ( -4.262 -2.678 -3.145) 5.935 6.200 ( -4.005 -1.141 -3.825) 5.654 8.089 ( 4.930 -7.950 -3.351) 9.937 8.167 ( 4.430 -7.330 -3.354) 9.198 8.347 ( 5.417 -2.467 -7.145) 9.300 8.910 ( -3.595 -12.681 -11.846) 17.722 9.268 ( 1.476 -3.327 3.446) 5.012 9.537 ( 8.899 -7.160 4.363) 12.227 9.667 ( 5.276 -3.076 5.319) 8.099 9.832 ( 2.589 -1.150 5.074) 5.812 10.721 ( 2.548 0.350 -1.430) 2.943 10.877 ( -1.037 3.075 -1.033) 3.405 10.916 ( 1.362 3.298 0.117) 3.570 11.084 ( 0.594 -5.301 -3.564) 6.415 11.349 ( -0.406 5.190 5.093) 7.283 11.515 ( -6.034 -1.120 4.608) 7.675 12.034 ( 6.144 11.225 -0.998) 12.835 12.238 ( -3.089 13.540 -4.592) 14.627 13.341 ( -2.091 -2.162 3.427) 4.560 13.832 ( -4.056 -0.800 1.145) 4.290 13.975 ( -1.858 -4.473 5.874) 7.614 14.235 ( 0.605 6.202 -1.583) 6.429 14.274 ( 0.667 5.111 -1.234) 5.300 14.690 ( -3.263 1.345 1.213) 3.732 14.744 ( -5.060 0.158 3.617) 6.222 15.433 ( 5.296 -5.634 -8.051) 11.163======================= Grid point 189 (98/205) =======================q-point: ( 0.00 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.501 ( 11.162 26.533 20.389) 35.275 2.870 ( 1.262 23.807 22.378) 32.698 3.845 ( 4.797 -11.042 15.526) 19.646 3.963 ( -0.537 4.635 16.572) 17.216 4.040 ( -5.980 15.494 -2.680) 16.823 4.385 ( 0.171 -0.687 4.511) 4.566 4.555 ( -6.754 2.175 4.195) 8.243 4.739 ( 2.451 11.408 -6.788) 13.499 4.982 ( -0.240 5.610 4.364) 7.112 5.274 ( 2.096 -5.338 2.070) 6.097 5.839 ( -9.122 -1.848 -6.444) 11.321 5.998 ( -9.046 -3.035 -5.620) 11.074 8.001 ( 3.030 -6.229 -3.365) 7.701 8.070 ( 2.853 -7.732 -2.207) 8.532 8.333 ( 2.119 -0.841 -9.567) 9.834 8.569 ( -2.928 -8.554 -8.514) 12.419 9.327 ( 4.822 -0.425 5.041) 6.989 9.568 ( 6.263 -6.682 1.442) 9.271 9.752 ( 5.339 -4.187 6.586) 9.456 9.840 ( 0.302 -4.480 6.082) 7.560 10.750 ( 0.185 0.541 0.089) 0.578 10.835 ( -2.691 -1.535 0.347) 3.117 10.988 ( 0.605 2.794 -2.369) 3.713 11.057 ( 4.195 -0.337 -3.679) 5.590 11.428 ( -6.838 2.683 5.883) 9.411 11.470 ( -1.808 1.947 5.705) 6.294 12.309 ( 2.595 10.418 -3.646) 11.338 12.432 ( 1.099 11.942 -5.184) 13.065 13.316 ( -1.433 0.702 4.246) 4.536 13.787 ( -2.669 2.091 0.104) 3.392 13.849 ( -3.068 -7.321 5.908) 9.895 14.372 ( 0.133 -5.635 -0.297) 5.645 14.387 ( 2.460 5.759 1.415) 6.420 14.460 ( -3.833 -2.175 1.135) 4.551 14.859 ( -1.161 9.799 0.159) 9.869 15.341 ( 2.980 -6.418 -6.888) 9.875======================= Grid point 190 (99/205) =======================q-point: ( 0.11 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.957 ( 18.201 22.644 17.875) 34.110 3.118 ( 6.009 20.747 22.671) 31.314 3.931 ( 2.712 6.217 -8.310) 10.727 4.115 ( 7.562 2.295 19.250) 20.809 4.186 ( 6.693 2.304 19.872) 21.095 4.389 ( -6.127 -2.727 5.547) 8.703 4.529 ( 4.373 6.677 1.258) 8.080 4.775 ( 6.285 9.638 -5.488) 12.748 5.006 ( -2.086 7.261 7.231) 10.457 5.356 ( 3.700 -4.928 2.956) 6.835 5.575 ( -10.397 -3.398 -11.182) 15.642 5.744 ( -11.297 -3.760 -7.823) 14.247 8.010 ( 0.596 -6.256 -3.108) 7.011 8.083 ( -0.178 -7.790 -1.311) 7.902 8.261 ( -1.973 -1.849 -8.693) 9.104 8.440 ( -3.839 -7.626 -8.139) 11.796 9.458 ( 4.459 -0.095 3.885) 5.915 9.655 ( 3.570 -4.282 -1.587) 5.796 9.826 ( -1.181 -2.477 3.857) 4.734 9.976 ( 5.751 -10.111 7.927) 14.077 10.747 ( -0.314 0.770 0.206) 0.857 10.808 ( -0.709 -1.032 1.032) 1.623 10.965 ( -0.141 3.819 -3.903) 5.462 11.098 ( 2.572 -0.825 -3.367) 4.316 11.338 ( -6.200 3.576 4.921) 8.686 11.484 ( -1.825 -0.505 6.333) 6.610 12.283 ( -1.809 13.249 -3.250) 13.761 12.443 ( 3.205 10.509 -4.820) 11.997 13.333 ( -0.241 -0.025 4.218) 4.225 13.751 ( -0.799 3.468 -0.443) 3.587 13.827 ( -3.462 -8.841 5.356) 10.901 14.298 ( -4.858 -11.619 -0.181) 12.595 14.466 ( 2.697 4.623 2.898) 6.087 14.489 ( 4.216 4.233 1.358) 6.127 14.844 ( -0.130 10.164 -0.548) 10.180 15.335 ( 1.803 -6.542 -6.630) 9.487======================= Grid point 191 (100/205) =======================q-point: ( 0.22 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.380 ( 9.007 18.103 18.965) 27.722 3.449 ( 12.978 19.950 16.699) 29.074 3.969 ( 8.041 4.535 -10.373) 13.886 4.237 ( -8.619 5.197 7.674) 12.656 4.428 ( 6.642 -9.181 9.707) 14.921 4.534 ( 11.614 1.856 16.714) 20.438 4.695 ( 9.659 12.312 2.700) 15.880 4.883 ( 6.281 11.066 -1.073) 12.769 4.977 ( -7.249 6.655 8.883) 13.257 5.292 ( -1.843 -5.458 -14.874) 15.951 5.392 ( -9.296 -4.711 -5.012) 11.564 5.569 ( 1.267 -2.098 6.730) 7.162 7.982 ( -0.915 -6.861 -3.149) 7.605 8.046 ( -2.404 -7.856 -1.299) 8.318 8.144 ( -3.196 -3.505 -7.412) 8.800 8.294 ( -4.543 -7.929 -8.597) 12.547 9.538 ( 1.712 -0.980 0.433) 2.020 9.686 ( 1.362 -4.311 -3.341) 5.622 9.816 ( -1.904 0.263 2.550) 3.193 10.110 ( 3.031 -10.185 4.038) 11.368 10.753 ( 0.735 1.489 0.332) 1.694 10.799 ( -1.209 0.235 -0.706) 1.419 10.952 ( 1.790 3.758 -1.359) 4.379 11.095 ( -1.130 -0.464 -0.898) 1.516 11.281 ( -2.520 3.793 3.049) 5.480 11.489 ( -2.506 -2.407 6.047) 6.974 12.212 ( -3.132 14.489 -2.209) 14.988 12.459 ( 2.275 9.398 -5.451) 11.100 13.365 ( 0.146 -0.078 3.922) 3.926 13.743 ( -0.298 2.829 0.168) 2.850 13.808 ( -1.700 -9.621 3.907) 10.522 14.215 ( -3.300 -11.409 -0.600) 11.891 14.533 ( 1.418 5.287 4.410) 7.029 14.597 ( 4.457 3.346 3.203) 6.428 14.849 ( 1.488 9.932 -1.368) 10.136 15.314 ( 1.218 -6.001 -6.494) 8.926======================= Grid point 192 (101/205) =======================q-point: ( 0.33 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.592 ( -1.547 13.007 12.244) 17.930 3.806 ( 11.250 20.668 14.214) 27.492 4.060 ( 9.004 -0.525 -10.281) 13.677 4.173 ( -3.268 11.864 13.169) 18.024 4.440 ( -16.963 8.754 -0.098) 19.088 4.651 ( -0.198 -2.190 -11.091) 11.307 4.771 ( 4.627 -6.896 3.072) 8.855 4.998 ( 1.964 -6.136 -2.783) 7.018 5.143 ( 8.404 9.405 12.059) 17.450 5.217 ( -2.468 1.759 1.649) 3.450 5.291 ( 9.467 5.386 5.267) 12.098 5.726 ( 4.791 0.209 12.612) 13.493 7.912 ( -3.581 -6.837 -4.585) 8.977 7.994 ( -1.006 -9.050 -2.469) 9.434 8.047 ( -1.501 -5.565 -5.146) 7.727 8.148 ( -2.932 -7.932 -8.489) 11.982 9.526 ( -1.494 -1.790 -3.516) 4.219 9.657 ( -1.059 -3.552 -4.296) 5.674 9.797 ( -1.336 2.033 0.162) 2.438 10.148 ( -0.367 -8.915 -1.083) 8.988 10.746 ( -1.987 2.215 -3.254) 4.409 10.773 ( 1.103 1.377 -0.993) 2.025 11.011 ( 2.193 2.280 3.459) 4.688 11.066 ( -1.845 1.337 3.403) 4.095 11.284 ( 0.814 2.833 1.357) 3.245 11.487 ( -1.725 -2.941 5.376) 6.366 12.135 ( -3.296 14.486 -1.410) 14.923 12.450 ( 1.519 8.563 -5.843) 10.477 13.395 ( -0.126 0.371 3.580) 3.601 13.732 ( -1.871 -1.649 2.945) 3.859 13.828 ( 1.782 -7.100 0.596) 7.344 14.160 ( -1.988 -10.161 -0.453) 10.364 14.580 ( -0.548 6.037 5.214) 7.995 14.700 ( 2.877 2.445 4.624) 5.969 14.879 ( 2.582 9.007 -1.474) 9.486 15.287 ( 1.295 -4.991 -6.584) 8.363======================= Grid point 193 (102/205) =======================q-point: (-0.56 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.484 ( -14.273 13.527 5.469) 20.411 3.980 ( -23.330 10.629 -5.699) 26.263 4.092 ( 7.327 12.756 3.284) 15.073 4.160 ( 8.354 0.453 -0.854) 8.410 4.318 ( 2.446 14.613 19.743) 24.685 4.439 ( -8.793 -6.482 -18.448) 21.439 4.845 ( 1.028 -4.101 3.120) 5.254 5.033 ( -0.606 -2.462 4.243) 4.943 5.200 ( -2.636 2.106 3.902) 5.159 5.277 ( 4.055 3.612 2.020) 5.794 5.662 ( 12.734 8.254 15.064) 21.383 5.915 ( 3.921 1.204 13.525) 14.134 7.804 ( -2.487 -7.000 -5.921) 9.499 7.935 ( -2.015 -11.154 -5.597) 12.641 8.009 ( 1.304 -5.761 -4.185) 7.239 8.109 ( 5.029 -7.967 -5.416) 10.867 9.448 ( -2.332 -1.110 -5.472) 6.051 9.589 ( -2.167 -3.230 -5.216) 6.506 9.756 ( -2.125 2.228 -2.224) 3.798 10.080 ( -3.631 -6.807 -5.958) 9.748 10.689 ( -1.499 2.504 -2.255) 3.688 10.784 ( 1.834 -0.093 -2.741) 3.299 11.033 ( -2.585 2.770 5.591) 6.754 11.096 ( -0.462 0.720 5.321) 5.389 11.328 ( 2.263 3.580 2.042) 4.702 11.522 ( 1.355 -2.274 5.119) 5.763 12.069 ( -2.156 14.221 -1.389) 14.450 12.440 ( 2.382 7.510 -6.034) 9.923 13.413 ( -0.767 0.926 3.385) 3.592 13.724 ( -1.606 -4.165 4.233) 6.152 13.871 ( 2.385 -6.301 -0.847) 6.790 14.132 ( -0.576 -7.720 -0.209) 7.744 14.588 ( -2.338 6.690 4.301) 8.289 14.773 ( 0.417 0.656 5.973) 6.024 14.918 ( 2.059 8.321 -0.698) 8.600 15.266 ( 1.749 -3.905 -6.775) 8.013======================= Grid point 194 (103/205) =======================q-point: (-0.44 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.187 ( -19.706 17.246 4.925) 26.646 3.487 ( -22.555 11.943 -3.935) 25.824 4.048 ( -8.321 -6.782 -12.415) 16.412 4.197 ( -0.861 -12.934 -8.050) 15.259 4.375 ( 3.836 15.461 12.465) 20.227 4.495 ( 2.145 14.473 14.519) 20.613 4.854 ( -2.206 2.334 2.536) 4.092 4.976 ( -8.140 6.695 5.786) 12.023 5.175 ( -3.992 -0.801 3.602) 5.437 5.334 ( 0.252 1.682 1.589) 2.327 5.941 ( 5.297 4.307 11.751) 13.590 6.077 ( 2.958 0.741 11.559) 11.954 7.747 ( 1.491 -7.323 -6.005) 9.587 7.872 ( 0.875 -10.996 -6.529) 12.819 8.034 ( 4.649 -4.585 -4.522) 7.943 8.230 ( 10.502 -10.090 -4.018) 15.107 9.365 ( -2.067 -0.903 -5.399) 5.851 9.494 ( -3.063 -3.553 -6.106) 7.700 9.689 ( -2.324 2.245 -3.100) 4.478 9.940 ( -4.745 -4.438 -7.266) 9.747 10.660 ( -0.049 2.253 -1.230) 2.568 10.812 ( 3.317 -1.422 -2.744) 4.534 11.014 ( -3.263 3.029 4.518) 6.343 11.096 ( -3.648 -0.623 5.589) 6.703 11.389 ( 1.387 5.485 3.525) 6.666 11.599 ( 1.320 -1.463 5.731) 6.060 12.040 ( 0.982 14.086 -2.493) 14.338 12.456 ( 4.068 6.338 -6.358) 9.856 13.415 ( -1.770 1.470 3.385) 4.093 13.737 ( -0.676 -5.539 5.047) 7.524 13.899 ( 1.232 -5.315 -1.015) 5.550 14.139 ( 1.550 -4.866 -0.434) 5.125 14.558 ( -3.587 6.647 3.170) 8.191 14.802 ( -2.366 -1.827 6.415) 7.077 14.940 ( 0.273 8.275 0.238) 8.283 15.254 ( 2.571 -3.240 -6.997) 8.128======================= Grid point 195 (104/205) =======================q-point: (-0.33 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.817 ( -22.055 18.055 5.846) 29.097 3.076 ( -18.894 18.338 2.912) 26.491 3.783 ( -8.912 -12.757 -6.664) 16.929 4.137 ( -3.536 -14.632 -1.316) 15.111 4.403 ( -9.081 20.654 11.724) 25.426 4.653 ( 4.889 12.190 6.504) 14.656 4.798 ( -6.729 2.263 2.712) 7.599 4.876 ( -6.312 9.702 9.536) 14.997 5.069 ( -8.017 2.589 -0.415) 8.434 5.319 ( -2.576 -0.692 1.391) 3.008 6.064 ( 0.203 1.410 8.296) 8.417 6.196 ( 1.199 -0.465 7.820) 7.925 7.771 ( 5.250 -7.237 -5.355) 10.422 7.875 ( 4.266 -10.179 -6.029) 12.576 8.114 ( 7.275 -2.792 -5.339) 9.446 8.432 ( 12.843 -12.624 -4.047) 18.458 9.280 ( -2.986 -1.324 -3.715) 4.947 9.383 ( -3.270 -4.292 -6.479) 8.431 9.636 ( -0.961 2.177 -1.669) 2.907 9.818 ( -2.729 -2.075 -4.114) 5.355 10.668 ( 1.481 2.029 -0.577) 2.578 10.867 ( 4.459 -1.946 -3.083) 5.759 10.983 ( -2.701 3.090 2.893) 5.021 11.052 ( -4.815 -1.855 4.868) 7.094 11.427 ( -0.527 6.682 4.513) 8.080 11.632 ( -2.810 -0.366 6.291) 6.899 12.076 ( 5.010 13.378 -3.744) 14.768 12.489 ( 4.094 5.730 -6.809) 9.795 13.395 ( -2.939 1.887 3.525) 4.962 13.773 ( -0.044 -6.565 5.745) 8.724 13.905 ( 0.033 -2.611 -0.522) 2.663 14.181 ( 3.130 -2.660 -0.970) 4.221 14.501 ( -4.364 6.016 2.394) 7.808 14.778 ( -5.066 -4.485 5.865) 8.954 14.932 ( -1.317 8.700 0.694) 8.826 15.262 ( 3.830 -3.459 -7.119) 8.793======================= Grid point 196 (105/205) =======================q-point: (-0.22 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.464 ( -19.463 20.605 10.786) 30.327 2.817 ( -12.860 24.347 10.875) 29.604 3.638 ( -3.924 -16.458 2.332) 17.079 4.030 ( -9.531 -3.521 8.029) 12.950 4.303 ( -6.538 14.339 5.348) 16.642 4.615 ( -11.804 6.128 1.017) 13.339 4.743 ( -3.109 8.193 7.468) 11.513 4.851 ( -5.430 3.312 4.688) 7.902 4.923 ( -1.672 9.797 -2.086) 10.155 5.273 ( -2.670 -3.172 1.155) 4.304 6.087 ( -2.682 -0.102 3.960) 4.783 6.232 ( -1.971 -1.603 3.418) 4.259 7.853 ( 6.665 -6.963 -4.467) 10.624 7.934 ( 5.832 -9.040 -4.991) 11.859 8.224 ( 8.378 -1.048 -6.690) 10.773 8.626 ( 9.865 -14.676 -6.563) 18.862 9.212 ( -1.751 -1.539 -0.432) 2.371 9.299 ( -0.591 -4.113 -1.622) 4.460 9.625 ( 0.234 1.361 0.152) 1.390 9.779 ( -0.144 -1.256 0.548) 1.378 10.701 ( 2.047 1.765 -0.205) 2.711 10.931 ( 4.454 -1.947 -3.914) 6.241 10.961 ( -1.119 3.024 0.649) 3.289 10.991 ( -4.288 -2.426 4.155) 6.445 11.444 ( -1.395 6.443 5.180) 8.383 11.595 ( -5.589 0.697 6.220) 8.391 12.160 ( 6.297 12.236 -3.970) 14.322 12.499 ( 2.206 6.608 -7.005) 9.880 13.359 ( -3.455 1.984 3.754) 5.474 13.815 ( -0.390 -7.846 5.931) 9.843 13.891 ( -1.519 0.845 0.293) 1.763 14.241 ( 3.979 -0.945 -1.313) 4.295 14.432 ( -4.110 5.493 1.658) 7.058 14.696 ( -7.222 -6.543 4.412) 10.698 14.908 ( -1.652 9.075 0.797) 9.259 15.291 ( 4.620 -4.501 -7.109) 9.599======================= Grid point 197 (106/205) =======================q-point: (-0.11 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.302 ( -6.743 26.085 17.957) 32.378 2.751 ( -5.339 25.652 17.839) 31.699 3.670 ( 1.892 -17.745 10.449) 20.680 3.934 ( -8.389 9.464 14.877) 19.526 4.210 ( -7.148 7.613 -0.263) 10.447 4.410 ( -7.394 5.168 2.160) 9.276 4.667 ( -8.756 2.451 6.746) 11.321 4.770 ( -0.400 10.670 -6.070) 12.282 4.949 ( 0.622 6.329 3.617) 7.316 5.248 ( -0.577 -4.790 1.143) 4.958 6.015 ( -5.935 -0.938 -1.130) 6.114 6.168 ( -5.562 -2.373 -1.331) 6.192 7.944 ( 5.541 -6.614 -3.782) 9.421 8.012 ( 5.211 -8.117 -3.599) 10.295 8.317 ( 6.646 -0.347 -8.668) 10.928 8.667 ( 1.003 -12.043 -9.679) 15.483 9.223 ( 1.956 -1.225 3.280) 4.011 9.386 ( 7.418 -7.065 5.367) 11.565 9.649 ( 1.647 0.304 2.347) 2.883 9.802 ( 0.294 -2.436 3.788) 4.513 10.735 ( 1.340 1.189 0.054) 1.792 10.899 ( -3.803 -2.263 0.128) 4.427 10.978 ( 1.099 2.764 -0.057) 2.975 11.002 ( 3.952 -1.073 -3.046) 5.104 11.455 ( -1.798 5.019 5.678) 7.788 11.521 ( -6.553 1.227 5.869) 8.882 12.249 ( 5.699 10.958 -3.655) 12.881 12.470 ( 0.338 9.310 -6.453) 11.332 13.326 ( -2.813 1.564 4.028) 5.156 13.834 ( -1.934 -6.806 2.364) 7.460 13.857 ( -2.737 1.009 4.290) 5.188 14.311 ( 4.154 0.034 -1.316) 4.358 14.382 ( -1.773 5.586 1.118) 5.967 14.575 ( -7.801 -7.526 2.722) 11.176 14.882 ( -1.508 9.354 0.587) 9.492 15.324 ( 4.198 -5.665 -7.054) 9.974======================= Grid point 198 (107/205) =======================q-point: ( 0.00 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.994 ( 8.364 24.589 19.521) 32.491 3.302 ( 1.260 15.202 13.869) 20.617 3.495 ( 7.865 -14.058 18.859) 24.802 3.765 ( 2.215 -18.639 9.120) 20.869 4.320 ( -5.948 9.056 0.404) 10.842 4.439 ( -6.842 -2.504 4.498) 8.563 4.735 ( -1.036 17.746 7.882) 19.445 4.947 ( 1.533 6.542 -3.133) 7.413 5.013 ( 2.125 -2.324 -0.249) 3.159 5.131 ( 2.229 -8.473 -0.655) 8.786 5.848 ( -10.954 2.838 -3.454) 11.831 5.926 ( -10.615 -4.393 -3.307) 11.954 7.921 ( 3.187 -1.593 -3.217) 4.800 7.948 ( 3.152 -4.317 -2.825) 6.046 8.345 ( 1.113 2.303 -9.671) 10.003 8.425 ( -0.680 -6.038 -9.169) 11.000 9.348 ( 5.764 2.735 4.776) 7.970 9.434 ( 6.842 -6.171 4.128) 10.096 9.723 ( 1.868 0.711 4.749) 5.153 9.765 ( -0.003 -3.340 4.705) 5.770 10.769 ( -0.628 1.309 1.011) 1.769 10.799 ( -1.647 -1.839 1.121) 2.711 11.033 ( 1.669 1.794 -2.760) 3.691 11.054 ( 2.990 -0.408 -3.008) 4.261 11.474 ( -5.978 1.960 6.080) 8.749 11.494 ( -4.218 0.133 6.287) 7.572 12.489 ( 3.898 7.609 -5.615) 10.228 12.564 ( 3.337 0.960 -6.779) 7.617 13.406 ( -2.945 9.089 5.142) 10.850 13.626 ( -2.682 -12.200 4.669) 13.335 13.923 ( -3.653 9.094 1.575) 9.926 14.142 ( -4.326 -13.116 1.253) 13.867 14.473 ( 1.507 2.801 1.458) 3.499 14.490 ( 1.077 1.045 1.291) 1.980 15.046 ( 0.356 9.319 -2.631) 9.690 15.209 ( 1.751 -7.597 -5.016) 9.271======================= Grid point 199 (108/205) =======================q-point: ( 0.11 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.364 ( 13.844 18.827 16.916) 28.849 3.476 ( 4.880 13.914 15.286) 21.239 3.841 ( 11.943 -12.359 18.495) 25.248 3.907 ( 5.218 -10.822 7.390) 14.105 4.283 ( 1.356 3.633 2.920) 4.854 4.358 ( -4.594 -2.652 3.693) 6.463 4.840 ( 4.871 18.761 8.803) 21.288 4.982 ( 5.236 9.910 -4.002) 11.901 5.070 ( 3.959 -2.089 -0.892) 4.564 5.205 ( 4.245 -10.625 3.362) 11.925 5.564 ( -14.002 2.919 -6.621) 15.761 5.656 ( -13.297 -5.338 -5.237) 15.256 7.930 ( 0.189 -1.525 -2.662) 3.074 7.960 ( -0.029 -4.426 -2.044) 4.875 8.254 ( -2.713 1.337 -9.229) 9.711 8.315 ( -3.325 -5.019 -8.956) 10.791 9.482 ( 4.443 2.733 2.471) 5.772 9.560 ( 4.109 -5.041 0.081) 6.504 9.797 ( 0.960 -0.009 4.951) 5.043 9.837 ( 3.302 -4.409 6.775) 8.732 10.767 ( -0.248 1.142 1.215) 1.686 10.788 ( -0.450 -1.071 1.448) 1.856 11.032 ( 0.742 2.986 -3.447) 4.621 11.076 ( 1.705 -1.655 -3.255) 4.030 11.408 ( -5.286 3.435 5.550) 8.399 11.462 ( -3.972 -1.975 6.163) 7.593 12.498 ( 1.236 8.464 -5.195) 10.007 12.573 ( 2.649 1.582 -6.312) 7.025 13.399 ( -1.831 7.715 5.126) 9.442 13.608 ( -2.869 -12.364 4.854) 13.589 13.870 ( -2.556 8.066 0.666) 8.488 14.063 ( -4.065 -11.760 0.417) 12.450 14.537 ( 2.847 2.244 2.726) 4.535 14.545 ( 3.122 1.352 2.292) 4.102 15.035 ( 0.807 9.461 -2.992) 9.955 15.200 ( 1.405 -7.725 -5.037) 9.329======================= Grid point 200 (109/205) =======================q-point: ( 0.22 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.690 ( 6.608 12.651 11.484) 18.319 3.748 ( 11.967 9.224 13.068) 19.977 4.031 ( 5.100 3.156 0.262) 6.004 4.199 ( 9.777 -12.648 13.175) 20.715 4.326 ( -0.446 4.295 6.657) 7.935 4.428 ( 6.838 -6.782 10.041) 13.913 4.986 ( 3.565 11.739 -7.379) 14.317 5.071 ( -0.605 8.486 -3.184) 9.083 5.148 ( 3.162 0.354 2.062) 3.791 5.205 ( -3.085 0.079 -2.907) 4.239 5.309 ( -7.424 0.468 2.160) 7.746 5.469 ( 1.645 -8.424 8.547) 12.113 7.894 ( -1.723 -1.814 -2.520) 3.551 7.921 ( -2.216 -4.444 -1.824) 5.290 8.114 ( -4.185 0.589 -8.686) 9.659 8.168 ( -4.535 -4.895 -9.040) 11.236 9.542 ( 1.399 1.643 -1.512) 2.635 9.600 ( 1.497 -4.150 -3.164) 5.429 9.848 ( 0.459 3.237 4.189) 5.314 9.944 ( 2.303 -6.865 5.022) 8.812 10.780 ( 0.660 1.207 0.688) 1.538 10.797 ( 0.100 -0.503 0.512) 0.725 11.023 ( 0.868 3.372 -1.545) 3.810 11.074 ( 0.174 -1.870 -1.355) 2.316 11.360 ( -3.493 4.171 4.446) 7.026 11.434 ( -3.430 -3.425 5.562) 7.378 12.460 ( -1.137 10.275 -4.577) 11.306 12.564 ( 1.206 0.292 -6.248) 6.370 13.413 ( -0.569 6.058 4.592) 7.623 13.593 ( -2.335 -11.440 4.751) 12.605 13.838 ( -1.074 6.599 0.214) 6.689 14.000 ( -2.520 -10.215 0.150) 10.523 14.613 ( 2.182 2.793 4.231) 5.519 14.635 ( 3.270 0.481 3.872) 5.091 15.034 ( 1.618 9.006 -3.424) 9.770 15.189 ( 1.501 -7.175 -5.113) 8.937======================= Grid point 201 (110/205) =======================q-point: ( 0.33 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.824 ( -0.252 10.622 4.102) 11.390 3.978 ( 5.249 -4.728 -1.287) 7.180 4.176 ( 8.274 14.168 8.535) 18.494 4.352 ( 3.281 1.515 10.768) 11.358 4.508 ( 4.733 0.888 7.597) 8.995 4.605 ( -2.713 -3.748 1.820) 4.972 4.696 ( -10.664 2.948 -8.598) 14.012 4.835 ( -8.962 -9.245 -8.164) 15.246 5.235 ( 4.462 2.533 2.831) 5.860 5.253 ( 3.202 0.714 0.678) 3.350 5.499 ( 11.087 11.994 15.547) 22.549 5.675 ( 7.125 -5.903 13.818) 16.630 7.823 ( -3.349 -1.780 -3.786) 5.359 7.854 ( -2.780 -4.881 -2.977) 6.358 7.985 ( -2.008 -0.602 -7.209) 7.507 8.025 ( -2.419 -4.516 -8.287) 9.743 9.522 ( -0.774 1.458 -4.635) 4.920 9.577 ( -0.275 -4.019 -5.400) 6.737 9.866 ( -1.091 5.067 1.750) 5.471 9.988 ( -0.451 -7.493 1.316) 7.621 10.780 ( -0.682 1.189 -2.886) 3.195 10.789 ( 0.129 0.207 -1.789) 1.806 11.053 ( 0.957 1.932 3.605) 4.200 11.077 ( -0.486 -0.386 3.523) 3.577 11.350 ( -0.266 3.864 3.163) 5.001 11.424 ( -1.213 -3.681 4.748) 6.129 12.394 ( -2.035 11.436 -4.050) 12.301 12.527 ( 0.148 -1.493 -6.187) 6.366 13.441 ( -0.074 5.100 3.920) 6.432 13.590 ( -1.622 -9.617 4.326) 10.669 13.832 ( 0.210 4.852 0.364) 4.870 13.969 ( -0.868 -9.076 0.355) 9.124 14.676 ( 0.323 3.722 5.297) 6.482 14.718 ( 1.447 -0.580 5.129) 5.361 15.046 ( 2.391 8.056 -3.591) 9.139 15.182 ( 1.902 -6.156 -5.207) 8.284======================= Grid point 202 (111/205) =======================q-point: (-0.56 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.753 ( -7.766 13.791 0.265) 15.830 3.989 ( -0.632 -10.180 -4.462) 11.133 4.156 ( -19.634 7.912 -11.732) 24.202 4.292 ( -13.904 -5.862 -13.426) 20.198 4.446 ( 6.748 12.542 7.568) 16.127 4.562 ( 4.325 7.075 15.241) 17.351 4.746 ( 4.076 -2.507 7.140) 8.595 4.885 ( 3.334 -10.595 10.017) 14.957 5.285 ( -1.238 4.374 2.079) 4.999 5.325 ( 1.868 0.468 1.997) 2.774 5.814 ( 8.478 6.933 14.542) 18.205 5.907 ( 5.260 -2.479 13.784) 14.961 7.719 ( -2.664 -1.316 -5.977) 6.674 7.765 ( -2.472 -5.990 -5.749) 8.663 7.943 ( 2.527 -0.760 -5.315) 5.934 7.983 ( 3.759 -4.698 -5.810) 8.365 9.455 ( -1.582 1.851 -6.157) 6.621 9.514 ( -1.439 -3.960 -6.614) 7.843 9.830 ( -2.849 5.182 -1.095) 6.014 9.947 ( -3.177 -6.768 -2.456) 7.870 10.736 ( -0.821 2.261 -3.274) 4.062 10.771 ( 0.424 -1.293 -3.383) 3.646 11.079 ( -2.248 1.818 5.981) 6.644 11.100 ( -1.851 -0.421 6.164) 6.449 11.402 ( 2.871 3.969 3.473) 6.005 11.472 ( 2.311 -3.120 4.721) 6.113 12.330 ( -1.046 11.999 -4.110) 12.726 12.487 ( 0.887 -3.227 -6.323) 7.155 13.466 ( -0.320 4.893 3.521) 6.037 13.595 ( -1.106 -7.969 3.942) 8.959 13.850 ( 1.142 3.638 0.731) 3.883 13.972 ( 0.834 -8.231 0.644) 8.298 14.699 ( -2.100 4.633 5.022) 7.148 14.762 ( -1.258 -1.895 5.562) 6.009 15.068 ( 2.317 7.027 -2.948) 7.964 15.183 ( 2.114 -4.967 -4.967) 7.335======================= Grid point 203 (112/205) =======================q-point: (-0.44 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.535 ( -15.449 18.314 -1.060) 23.983 3.709 ( -16.444 10.718 -5.806) 20.469 3.869 ( -15.811 -13.590 -10.676) 23.423 3.926 ( -4.533 -12.203 -4.749) 13.857 4.638 ( 3.917 10.596 9.234) 14.591 4.730 ( 1.554 5.852 12.506) 13.895 4.846 ( 1.025 1.945 5.710) 6.119 4.991 ( 0.542 -6.983 6.943) 9.862 5.232 ( -6.208 6.750 3.657) 9.873 5.329 ( -3.053 -2.580 2.275) 4.599 6.024 ( 2.650 3.981 11.913) 12.837 6.077 ( 2.183 -1.231 11.836) 12.099 7.657 ( 1.470 -1.459 -6.414) 6.740 7.701 ( 1.260 -6.031 -6.531) 8.978 7.995 ( 6.676 0.768 -5.151) 8.467 8.066 ( 8.657 -6.495 -5.015) 11.928 9.372 ( -2.211 1.616 -6.216) 6.792 9.423 ( -2.654 -3.504 -6.868) 8.154 9.753 ( -3.097 4.341 -2.400) 5.848 9.847 ( -3.908 -5.105 -3.870) 7.504 10.711 ( 0.423 2.953 -2.017) 3.601 10.768 ( 1.780 -2.888 -2.596) 4.272 11.063 ( -3.424 1.916 4.883) 6.264 11.087 ( -3.963 -0.615 5.634) 6.915 11.489 ( 2.082 4.651 4.814) 7.011 11.560 ( 1.903 -2.761 5.704) 6.616 12.301 ( 1.763 12.278 -4.989) 13.370 12.474 ( 3.056 -4.692 -6.929) 8.908 13.480 ( -1.037 5.341 3.543) 6.492 13.607 ( -0.770 -7.390 3.951) 8.415 13.886 ( 1.892 3.848 1.051) 4.414 14.010 ( 2.443 -7.783 0.810) 8.198 14.673 ( -4.121 5.079 4.059) 7.698 14.752 ( -3.918 -3.308 5.140) 7.260 15.085 ( 1.232 6.517 -2.057) 6.944 15.187 ( 1.975 -4.172 -4.535) 6.471======================= Grid point 204 (113/205) =======================q-point: (-0.33 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.170 ( -18.784 18.193 -0.099) 26.151 3.440 ( -11.500 17.517 2.029) 21.053 3.507 ( -14.000 -14.231 -4.533) 20.472 3.811 ( -5.641 -18.409 -0.465) 19.259 4.704 ( -5.053 9.537 10.853) 15.306 4.793 ( -4.338 -0.591 7.903) 9.034 4.892 ( 1.373 9.571 3.100) 10.154 5.015 ( -1.765 -0.231 3.031) 3.515 5.112 ( -8.431 5.896 3.201) 10.774 5.253 ( -6.118 -6.093 2.274) 8.928 6.112 ( -1.415 3.359 9.184) 9.881 6.171 ( -0.653 -2.300 8.902) 9.218 7.680 ( 5.466 -1.677 -5.834) 8.169 7.718 ( 5.121 -5.523 -6.019) 9.642 8.112 ( 9.378 2.794 -5.820) 11.386 8.224 ( 11.124 -8.664 -5.413) 15.103 9.276 ( -3.087 0.886 -4.738) 5.724 9.313 ( -3.316 -2.886 -5.765) 7.250 9.691 ( -1.679 3.492 -1.271) 4.078 9.762 ( -2.155 -3.585 -2.026) 4.647 10.721 ( 1.544 3.439 -0.787) 3.851 10.797 ( 2.612 -4.354 -1.599) 5.323 11.029 ( -2.943 1.598 2.992) 4.491 11.043 ( -3.994 -0.031 3.888) 5.574 11.541 ( -0.819 4.937 5.639) 7.539 11.610 ( -1.706 -2.209 6.370) 6.955 12.323 ( 4.742 11.740 -6.016) 14.018 12.495 ( 4.577 -5.081 -7.655) 10.265 13.478 ( -2.112 6.508 3.830) 7.841 13.624 ( -0.743 -8.206 4.138) 9.220 13.936 ( 2.076 5.372 1.399) 5.926 14.075 ( 3.370 -7.699 0.913) 8.453 14.606 ( -5.376 4.822 3.165) 7.885 14.691 ( -6.070 -4.278 4.410) 8.637 15.084 ( 0.264 6.845 -1.744) 7.068 15.191 ( 2.031 -4.375 -4.403) 6.532======================= Grid point 205 (114/205) =======================q-point: (-0.22 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.875 ( -13.628 21.748 7.983) 26.878 3.281 ( -7.974 -12.906 6.244) 16.405 3.285 ( -8.350 16.492 5.119) 19.181 3.718 ( -4.587 -20.911 3.319) 21.664 4.635 ( -9.092 10.161 8.944) 16.307 4.690 ( -10.388 1.696 5.764) 12.000 4.902 ( -8.030 8.487 5.074) 12.737 4.961 ( -0.841 7.315 -0.012) 7.363 5.023 ( -1.221 0.787 -1.263) 1.925 5.156 ( -4.382 -8.853 1.218) 9.953 6.117 ( -4.011 3.129 5.581) 7.551 6.185 ( -3.565 -3.329 5.195) 7.126 7.764 ( 6.968 -1.817 -4.912) 8.717 7.794 ( 6.705 -4.873 -5.044) 9.703 8.252 ( 9.562 4.168 -7.213) 12.681 8.388 ( 9.828 -9.941 -7.029) 15.647 9.203 ( -1.441 0.590 -1.099) 1.906 9.234 ( -1.032 -2.598 -1.539) 3.191 9.668 ( -0.629 3.056 0.779) 3.216 9.733 ( -0.687 -3.281 0.939) 3.481 10.749 ( 1.397 3.322 0.178) 3.608 10.831 ( 1.197 -5.242 -0.357) 5.389 11.004 ( -0.993 1.312 0.626) 1.761 11.007 ( -1.193 0.901 1.372) 2.029 11.548 ( -2.921 4.082 6.010) 7.830 11.596 ( -4.557 -0.987 6.473) 7.978 12.381 ( 5.753 10.235 -6.347) 13.347 12.525 ( 4.552 -3.836 -7.933) 9.918 13.458 ( -3.003 8.037 4.211) 9.558 13.637 ( -1.285 -9.851 4.212) 10.790 13.977 ( 0.505 7.526 1.902) 7.779 14.146 ( 2.830 -8.506 1.133) 9.036 14.523 ( -4.904 3.908 2.190) 6.642 14.592 ( -6.811 -3.920 3.311) 8.527 15.072 ( 0.088 7.734 -1.924) 7.970 15.199 ( 2.310 -5.479 -4.598) 7.516======================= Grid point 206 (115/205) =======================q-point: (-0.11 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.799 ( -3.169 25.410 16.203) 30.303 3.228 ( -3.338 11.064 10.287) 15.471 3.285 ( 0.147 -8.997 14.086) 16.715 3.696 ( -1.489 -21.127 6.805) 22.246 4.480 ( -10.771 8.336 2.594) 13.865 4.548 ( -8.668 2.802 6.730) 11.326 4.767 ( -7.459 12.538 5.683) 15.656 4.956 ( -0.169 4.715 -1.533) 4.961 4.999 ( -0.220 -0.534 -0.779) 0.970 5.117 ( 0.046 -7.679 -1.085) 7.756 6.034 ( -7.283 2.932 1.058) 7.922 6.107 ( -7.002 -3.889 0.798) 8.050 7.858 ( 5.918 -1.778 -3.995) 7.359 7.885 ( 5.824 -4.431 -3.908) 8.297 8.347 ( 6.152 3.776 -9.051) 11.578 8.466 ( 4.250 -8.536 -9.082) 13.169 9.224 ( 2.933 1.372 3.280) 4.609 9.277 ( 4.633 -4.209 3.898) 7.374 9.677 ( 0.209 2.547 2.678) 3.702 9.740 ( -0.396 -3.674 3.252) 4.923 10.769 ( 0.101 2.333 0.812) 2.473 10.827 ( -1.612 -3.776 0.851) 4.193 11.014 ( 1.731 1.006 -1.348) 2.414 11.016 ( 2.221 0.848 -1.549) 2.837 11.526 ( -3.960 2.289 6.182) 7.691 11.542 ( -5.807 0.469 6.335) 8.607 12.442 ( 5.300 8.571 -6.043) 11.750 12.548 ( 3.951 -1.452 -7.536) 8.632 13.430 ( -3.295 9.144 4.703) 10.797 13.638 ( -2.024 -11.318 4.379) 12.303 13.973 ( -2.506 9.134 2.168) 9.717 14.184 ( -0.536 -11.402 1.557) 11.520 14.467 ( -1.931 3.013 1.286) 3.802 14.501 ( -3.777 -1.141 1.772) 4.326 15.059 ( 0.207 8.673 -2.275) 8.969 15.208 ( 2.227 -6.761 -4.868) 8.624======================= Grid point 243 (116/205) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.013 ( 11.046 0.000 28.984) 31.018 2.153 ( -8.130 0.000 31.579) 32.608 3.418 ( -6.528 0.000 -15.768) 17.066 3.639 ( 2.325 0.000 19.007) 19.149 3.861 ( 1.939 0.000 9.194) 9.396 4.582 ( -1.302 0.000 6.265) 6.399 4.696 ( -7.672 0.000 7.289) 10.583 4.828 ( 9.628 0.000 14.402) 17.323 5.076 ( -1.570 0.000 5.189) 5.421 5.291 ( 3.098 0.000 -1.019) 3.261 5.780 ( -9.372 0.000 -11.928) 15.170 5.784 ( -6.473 0.000 -16.329) 17.566 8.251 ( 1.628 0.000 -2.519) 2.999 8.314 ( 2.458 0.000 -3.043) 3.912 8.402 ( 1.283 0.000 1.170) 1.736 8.765 ( -3.541 0.000 -8.932) 9.609 9.565 ( 2.644 0.000 2.825) 3.870 9.640 ( 2.732 0.000 2.630) 3.792 9.984 ( 1.044 0.000 6.717) 6.798 10.498 ( 9.830 0.000 -6.174) 11.608 10.665 ( 1.896 0.000 -0.149) 1.902 10.767 ( -1.619 0.000 -3.130) 3.524 10.828 ( -2.146 0.000 2.305) 3.149 11.052 ( 3.562 0.000 -4.771) 5.954 11.399 ( 6.702 0.000 0.894) 6.762 11.470 ( -8.684 0.000 -1.735) 8.855 11.755 ( -4.547 0.000 4.911) 6.693 11.952 ( 3.369 0.000 1.376) 3.639 13.513 ( -2.591 0.000 5.828) 6.378 13.850 ( -8.511 0.000 1.363) 8.620 13.917 ( 3.178 0.000 -1.239) 3.411 14.007 ( 7.075 0.000 -7.129) 10.044 14.278 ( 1.318 0.000 7.797) 7.907 14.646 ( -2.538 0.000 -4.228) 4.932 14.767 ( -6.583 0.000 10.406) 12.314 15.420 ( 4.828 0.000 -9.707) 10.842======================= Grid point 244 (117/205) =======================q-point: ( 0.11 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.340 ( 2.694 0.000 29.854) 29.975 2.601 ( 24.761 0.000 25.387) 35.463 3.324 ( 10.010 0.000 -17.864) 20.477 3.736 ( 10.127 0.000 -15.986) 18.924 4.180 ( 6.967 0.000 38.974) 39.592 4.531 ( -8.399 0.000 6.597) 10.680 4.590 ( -9.558 0.000 9.389) 13.399 5.063 ( 1.920 0.000 6.719) 6.988 5.171 ( 7.865 0.000 7.787) 11.068 5.322 ( 0.521 0.000 -0.621) 0.810 5.475 ( -10.743 0.000 -14.891) 18.362 5.548 ( -4.384 0.000 -12.063) 12.835 8.257 ( 1.122 0.000 -2.517) 2.756 8.309 ( -0.001 0.000 -4.236) 4.236 8.424 ( -0.653 0.000 2.247) 2.340 8.635 ( -3.592 0.000 -7.498) 8.314 9.628 ( 2.247 0.000 1.031) 2.473 9.697 ( 1.905 0.000 -0.145) 1.910 10.003 ( -4.432 0.000 5.939) 7.411 10.511 ( -0.510 0.000 -10.877) 10.889 10.712 ( -1.256 0.000 -3.248) 3.482 10.714 ( 2.337 0.000 1.767) 2.930 10.825 ( 0.766 0.000 0.847) 1.142 11.094 ( 4.241 0.000 -3.426) 5.452 11.288 ( -8.589 0.000 -0.762) 8.623 11.545 ( 6.346 0.000 0.344) 6.355 11.703 ( -4.853 0.000 5.261) 7.157 11.984 ( -0.325 0.000 -0.053) 0.330 13.507 ( -2.400 0.000 5.427) 5.934 13.744 ( -3.517 0.000 1.841) 3.970 13.978 ( 4.966 0.000 -5.134) 7.143 14.127 ( 9.289 0.000 -2.627) 9.653 14.358 ( 0.482 0.000 7.047) 7.064 14.566 ( -2.342 0.000 -3.967) 4.606 14.725 ( -5.736 0.000 11.337) 12.706 15.422 ( 2.803 0.000 -9.510) 9.914======================= Grid point 245 (118/205) =======================q-point: ( 0.22 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.687 ( 10.196 0.000 26.541) 28.432 3.254 ( 21.149 0.000 23.791) 31.833 3.492 ( 19.307 0.000 -17.491) 26.051 3.846 ( 13.676 0.000 -15.142) 20.404 4.343 ( -12.612 0.000 5.052) 13.586 4.365 ( -13.713 0.000 6.605) 15.220 4.732 ( 10.504 0.000 32.375) 34.036 5.089 ( -0.317 0.000 -9.519) 9.524 5.154 ( -9.226 0.000 -10.190) 13.747 5.232 ( 0.112 0.000 0.071) 0.132 5.320 ( -1.256 0.000 -1.823) 2.214 5.611 ( 8.383 0.000 11.563) 14.282 8.254 ( -2.112 0.000 -4.354) 4.839 8.263 ( 1.820 0.000 -2.870) 3.398 8.408 ( -2.584 0.000 2.044) 3.295 8.508 ( -3.642 0.000 -7.477) 8.317 9.663 ( 1.308 0.000 -1.240) 1.802 9.708 ( 0.544 0.000 -2.882) 2.933 9.894 ( -9.895 0.000 2.488) 10.203 10.360 ( -4.579 0.000 -13.132) 13.908 10.676 ( -0.410 0.000 -2.036) 2.077 10.763 ( 0.657 0.000 2.050) 2.153 10.883 ( 4.544 0.000 0.927) 4.637 11.147 ( -5.845 0.000 1.568) 6.052 11.155 ( 3.927 0.000 -2.018) 4.415 11.603 ( -2.910 0.000 2.747) 4.002 11.671 ( 0.622 0.000 0.850) 1.053 11.953 ( -2.263 0.000 -0.518) 2.322 13.504 ( -1.894 0.000 4.677) 5.046 13.740 ( 0.904 0.000 2.977) 3.112 14.021 ( 4.749 0.000 -8.278) 9.544 14.312 ( 10.094 0.000 0.218) 10.097 14.387 ( -2.762 0.000 6.489) 7.053 14.499 ( -1.727 0.000 -3.273) 3.701 14.732 ( -2.569 0.000 11.239) 11.529 15.383 ( 0.733 0.000 -9.424) 9.453======================= Grid point 246 (119/205) =======================q-point: ( 0.33 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.112 ( 13.346 0.000 23.110) 26.687 3.676 ( 0.661 0.000 15.738) 15.752 3.710 ( 12.108 0.000 -12.471) 17.382 3.991 ( -0.932 0.000 7.880) 7.935 4.119 ( -13.767 0.000 1.791) 13.883 4.147 ( 7.141 0.000 -11.866) 13.849 4.841 ( -7.667 0.000 -5.850) 9.644 4.963 ( -0.593 0.000 -12.135) 12.149 5.252 ( -4.409 0.000 4.735) 6.470 5.297 ( 2.335 0.000 4.553) 5.117 5.299 ( 14.318 0.000 18.600) 23.473 5.869 ( 7.935 0.000 11.547) 14.010 8.168 ( -3.138 0.000 -4.133) 5.189 8.291 ( 3.636 0.000 -4.303) 5.633 8.364 ( -3.056 0.000 1.551) 3.427 8.387 ( -2.538 0.000 -6.698) 7.163 9.653 ( -0.698 0.000 -3.300) 3.373 9.679 ( -0.711 0.000 -4.139) 4.200 9.688 ( -10.554 0.000 -1.421) 10.649 10.160 ( -5.073 0.000 -13.838) 14.738 10.661 ( -0.034 0.000 -0.885) 0.885 10.772 ( -0.459 0.000 0.408) 0.614 10.993 ( 4.765 0.000 2.318) 5.299 11.090 ( -2.428 0.000 4.230) 4.877 11.208 ( 2.440 0.000 -0.761) 2.555 11.538 ( -3.890 0.000 0.913) 3.995 11.699 ( 1.209 0.000 0.230) 1.231 11.901 ( -2.566 0.000 -0.384) 2.595 13.506 ( -1.432 0.000 4.204) 4.442 13.811 ( 3.214 0.000 4.364) 5.420 14.038 ( 4.099 0.000 -9.768) 10.593 14.365 ( -4.177 0.000 6.466) 7.698 14.427 ( -1.267 0.000 -3.131) 3.378 14.517 ( 7.876 0.000 1.122) 7.955 14.778 ( -1.689 0.000 10.301) 10.438 15.316 ( 0.157 0.000 -9.311) 9.312======================= Grid point 247 (120/205) =======================q-point: (-0.56 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.428 ( -25.476 0.000 7.892) 26.670 3.471 ( -2.633 0.000 18.686) 18.870 3.700 ( -2.385 0.000 9.428) 9.725 3.965 ( 4.086 0.000 -16.189) 16.697 4.074 ( 1.310 0.000 6.255) 6.391 4.389 ( 14.856 0.000 -1.216) 14.906 4.651 ( -7.675 0.000 -3.169) 8.304 4.917 ( 2.242 0.000 -6.077) 6.477 5.140 ( -7.568 0.000 2.372) 7.931 5.340 ( -1.869 0.000 3.381) 3.864 5.722 ( 12.595 0.000 15.795) 20.202 6.076 ( 5.660 0.000 7.762) 9.607 8.085 ( -1.954 0.000 -3.603) 4.099 8.253 ( -1.279 0.000 -7.859) 7.963 8.321 ( -2.151 0.000 0.600) 2.233 8.416 ( 8.773 0.000 -3.461) 9.431 9.511 ( -5.275 0.000 -1.970) 5.630 9.586 ( -3.159 0.000 -3.922) 5.036 9.626 ( -1.349 0.000 -4.158) 4.371 9.958 ( -4.729 0.000 -14.327) 15.087 10.663 ( 0.398 0.000 0.654) 0.766 10.755 ( -1.106 0.000 -0.788) 1.358 11.055 ( -1.587 0.000 5.451) 5.677 11.136 ( 3.925 0.000 3.311) 5.135 11.228 ( -0.313 0.000 -0.005) 0.313 11.483 ( -1.467 0.000 -1.588) 2.162 11.730 ( 2.086 0.000 0.461) 2.137 11.855 ( -1.678 0.000 -0.365) 1.717 13.511 ( -1.395 0.000 4.243) 4.467 13.918 ( 3.505 0.000 5.682) 6.677 14.033 ( 3.381 0.000 -10.583) 11.110 14.339 ( -3.282 0.000 6.329) 7.130 14.351 ( -4.007 0.000 -2.755) 4.863 14.661 ( 6.042 0.000 -0.281) 6.048 14.808 ( -3.210 0.000 9.482) 10.011 15.264 ( 1.886 0.000 -8.594) 8.798======================= Grid point 248 (121/205) =======================q-point: (-0.44 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.981 ( -27.000 0.000 10.911) 29.121 3.194 ( -27.649 0.000 16.988) 32.451 3.921 ( 7.654 0.000 -9.484) 12.187 4.005 ( -16.042 0.000 11.325) 19.637 4.017 ( 10.365 0.000 10.157) 14.512 4.501 ( -5.594 0.000 -3.419) 6.556 4.636 ( 13.397 0.000 -7.116) 15.170 4.899 ( -2.229 0.000 -3.295) 3.978 5.034 ( -7.181 0.000 9.777) 12.131 5.267 ( -7.366 0.000 2.476) 7.771 6.007 ( 7.167 0.000 8.688) 11.263 6.202 ( 3.090 0.000 2.800) 4.170 8.050 ( 0.953 0.000 -2.614) 2.783 8.188 ( 0.615 0.000 -6.743) 6.771 8.296 ( -0.056 0.000 -0.933) 0.935 8.622 ( 15.507 0.000 -4.970) 16.284 9.471 ( 1.682 0.000 0.033) 1.682 9.489 ( -3.912 0.000 -2.260) 4.518 9.571 ( -1.548 0.000 -2.285) 2.760 9.761 ( -4.409 0.000 -13.152) 13.872 10.689 ( 1.384 0.000 1.676) 2.174 10.718 ( -1.716 0.000 -1.601) 2.347 11.045 ( -3.808 0.000 5.733) 6.882 11.191 ( -3.224 0.000 -0.244) 3.233 11.256 ( 5.743 0.000 3.807) 6.890 11.451 ( -0.345 0.000 -2.812) 2.833 11.788 ( 3.380 0.000 0.117) 3.382 11.831 ( -0.594 0.000 -0.681) 0.903 13.515 ( -1.698 0.000 4.623) 4.925 14.008 ( 2.638 0.000 -11.033) 11.344 14.022 ( 2.140 0.000 6.697) 7.031 14.232 ( -5.996 0.000 -2.494) 6.494 14.337 ( -1.929 0.000 5.862) 6.171 14.744 ( 3.699 0.000 -2.445) 4.434 14.799 ( -4.850 0.000 9.043) 10.262 15.262 ( 4.144 0.000 -7.656) 8.706======================= Grid point 249 (122/205) =======================q-point: (-0.33 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.560 ( -27.411 0.000 16.218) 31.849 2.780 ( -29.098 0.000 20.901) 35.826 3.695 ( -26.142 0.000 21.757) 34.011 3.990 ( 7.799 0.000 -5.314) 9.437 4.303 ( 7.881 0.000 11.373) 13.836 4.326 ( -7.001 0.000 -10.396) 12.534 4.714 ( -14.227 0.000 -4.444) 14.905 4.801 ( 8.668 0.000 -7.822) 11.675 5.026 ( -2.966 0.000 13.636) 13.955 5.152 ( -5.695 0.000 3.931) 6.920 6.137 ( 1.932 0.000 2.689) 3.311 6.236 ( 0.312 0.000 -2.841) 2.858 8.082 ( 3.684 0.000 -1.330) 3.917 8.175 ( 2.557 0.000 -5.229) 5.820 8.306 ( 2.167 0.000 -2.189) 3.080 8.906 ( 18.023 0.000 -11.228) 21.234 9.419 ( -2.186 0.000 1.021) 2.413 9.512 ( -0.003 0.000 -0.366) 0.366 9.583 ( 4.523 0.000 3.380) 5.646 9.625 ( -0.575 0.000 -4.835) 4.869 10.672 ( -1.331 0.000 -2.023) 2.421 10.738 ( 2.268 0.000 1.548) 2.746 10.997 ( -5.229 0.000 5.093) 7.299 11.112 ( -4.101 0.000 -1.091) 4.243 11.419 ( -0.712 0.000 -3.352) 3.427 11.423 ( 8.157 0.000 4.379) 9.258 11.811 ( -1.148 0.000 -1.186) 1.650 11.843 ( 1.911 0.000 -0.298) 1.935 13.516 ( -1.989 0.000 5.131) 5.503 13.971 ( 2.302 0.000 -10.871) 11.112 14.092 ( -6.267 0.000 -2.155) 6.628 14.097 ( 0.110 0.000 7.283) 7.284 14.330 ( -3.717 0.000 4.296) 5.681 14.775 ( 2.031 0.000 -3.667) 4.192 14.776 ( -3.993 0.000 9.232) 10.059 15.297 ( 5.329 0.000 -7.860) 9.496======================= Grid point 250 (123/205) =======================q-point: (-0.22 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.151 ( -29.214 0.000 21.318) 36.165 2.415 ( -26.280 0.000 25.755) 36.796 3.432 ( -20.985 0.000 34.641) 40.501 4.100 ( -5.716 0.000 -14.367) 15.462 4.154 ( 8.784 0.000 2.476) 9.126 4.267 ( -18.934 0.000 -5.807) 19.805 4.535 ( 2.728 0.000 7.460) 7.944 4.836 ( -2.151 0.000 1.975) 2.920 5.103 ( -3.694 0.000 5.695) 6.788 5.114 ( 4.212 0.000 3.975) 5.791 6.130 ( -2.450 0.000 -2.663) 3.619 6.171 ( -2.500 0.000 -8.544) 8.902 8.163 ( 5.019 0.000 -0.334) 5.030 8.199 ( 3.171 0.000 -3.839) 4.979 8.338 ( 2.789 0.000 -2.587) 3.804 9.020 ( 4.998 0.000 -18.775) 19.429 9.431 ( 1.191 0.000 2.605) 2.865 9.517 ( 0.455 0.000 2.167) 2.214 9.729 ( 6.063 0.000 5.148) 7.954 9.777 ( 15.792 0.000 7.431) 17.453 10.643 ( 0.027 0.000 -1.960) 1.960 10.793 ( 2.170 0.000 0.623) 2.258 10.930 ( -5.269 0.000 4.435) 6.887 11.032 ( -2.419 0.000 -2.062) 3.179 11.372 ( -1.232 0.000 -3.475) 3.687 11.626 ( 8.787 0.000 3.868) 9.600 11.758 ( -3.145 0.000 -1.377) 3.433 11.849 ( -1.268 0.000 0.250) 1.293 13.517 ( -2.161 0.000 5.591) 5.994 13.938 ( 1.992 0.000 -8.791) 9.013 13.973 ( -3.364 0.000 -2.824) 4.392 14.146 ( -0.779 0.000 7.941) 7.979 14.231 ( -8.879 0.000 1.908) 9.082 14.767 ( 0.171 0.000 -3.999) 4.003 14.792 ( -2.290 0.000 9.299) 9.577 15.343 ( 5.925 0.000 -8.890) 10.684======================= Grid point 251 (124/205) =======================q-point: (-0.11 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.849 ( -17.197 0.000 27.923) 32.794 2.183 ( -18.999 0.000 30.026) 35.532 3.437 ( -9.212 0.000 41.420) 42.432 3.784 ( -18.873 0.000 -11.826) 22.272 3.912 ( -1.777 0.000 -14.373) 14.482 4.420 ( 10.530 0.000 8.840) 13.749 4.639 ( 1.758 0.000 8.195) 8.382 4.780 ( -6.194 0.000 5.931) 8.575 5.083 ( -3.175 0.000 6.123) 6.897 5.219 ( 4.798 0.000 -0.280) 4.806 6.006 ( -6.214 0.000 -7.547) 9.777 6.013 ( -4.980 0.000 -13.439) 14.332 8.230 ( 2.603 0.000 -2.920) 3.912 8.257 ( 4.635 0.000 -0.622) 4.677 8.370 ( 2.154 0.000 -1.611) 2.690 8.908 ( -2.108 0.000 -13.455) 13.619 9.490 ( 2.361 0.000 3.434) 4.167 9.565 ( 2.129 0.000 3.554) 4.143 9.877 ( 4.512 0.000 6.092) 7.582 10.207 ( 20.643 0.000 2.146) 20.754 10.642 ( 1.135 0.000 -1.396) 1.799 10.810 ( -0.517 0.000 -1.321) 1.418 10.868 ( -4.134 0.000 3.580) 5.469 11.013 ( 2.706 0.000 -2.959) 4.010 11.334 ( 0.337 0.000 -1.939) 1.968 11.634 ( -6.342 0.000 -1.980) 6.644 11.808 ( -3.689 0.000 2.436) 4.421 11.831 ( 7.120 0.000 3.113) 7.771 13.517 ( -2.378 0.000 5.853) 6.318 13.899 ( -0.657 0.000 -1.127) 1.304 13.953 ( 4.751 0.000 -8.673) 9.890 14.037 ( -11.214 0.000 1.422) 11.304 14.202 ( 0.266 0.000 7.820) 7.825 14.721 ( -1.645 0.000 -4.156) 4.470 14.802 ( -4.386 0.000 9.361) 10.338 15.388 ( 5.907 0.000 -9.626) 11.294======================= Grid point 252 (125/205) =======================q-point: ( 0.00 0.11 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.120 ( 11.621 12.217 27.124) 31.938 2.419 ( -5.742 23.273 27.214) 36.265 3.467 ( -6.745 5.373 -14.413) 16.796 3.751 ( 1.229 11.213 20.072) 23.025 3.946 ( 2.017 8.636 5.517) 10.445 4.592 ( 2.126 -0.427 7.102) 7.425 4.640 ( -5.757 -4.074 7.404) 10.226 4.817 ( 4.661 -2.188 12.015) 13.072 5.054 ( -1.396 -1.472 6.804) 7.100 5.314 ( 3.472 1.968 -0.858) 4.082 5.743 ( -9.070 -2.311 -12.793) 15.852 5.807 ( -7.840 1.124 -14.342) 16.384 8.202 ( 1.792 -4.853 -2.325) 5.672 8.282 ( 2.509 -3.200 -3.495) 5.361 8.352 ( 1.345 -4.982 0.577) 5.192 8.707 ( -3.226 -5.808 -8.965) 11.158 9.523 ( 2.814 -3.270 4.108) 5.957 9.654 ( 2.921 0.334 0.643) 3.010 9.976 ( 1.123 -0.894 6.427) 6.586 10.368 ( 8.651 -10.963 -0.954) 13.998 10.702 ( 3.280 2.125 -1.862) 4.329 10.762 ( -2.641 0.755 -1.595) 3.176 10.865 ( -1.607 2.635 0.310) 3.102 11.037 ( 2.654 -1.721 -4.909) 5.840 11.421 ( 4.034 2.699 3.009) 5.711 11.473 ( -6.804 0.650 0.201) 6.838 11.857 ( -4.264 9.281 1.714) 10.356 11.997 ( 3.812 4.539 0.474) 5.946 13.481 ( -1.893 -2.783 5.301) 6.279 13.790 ( -3.966 -3.495 -1.054) 5.390 13.991 ( -1.052 5.002 0.761) 5.168 14.087 ( 5.538 7.150 -5.514) 10.592 14.299 ( 2.094 1.821 7.322) 7.830 14.636 ( -3.218 -1.259 -3.351) 4.814 14.767 ( -6.139 0.232 9.094) 10.975 15.379 ( 4.797 -4.003 -9.637) 11.485======================= Grid point 253 (126/205) =======================q-point: ( 0.11 0.11 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.583 ( 3.880 22.683 25.660) 34.467 2.703 ( 22.894 10.385 24.186) 34.885 3.363 ( 8.801 4.352 -17.443) 20.017 3.844 ( 9.420 10.476 -15.021) 20.594 4.236 ( 6.367 5.900 35.081) 36.139 4.512 ( -9.465 -0.831 9.192) 13.220 4.640 ( -4.911 3.401 7.517) 9.602 5.007 ( 3.202 -5.992 9.362) 11.567 5.119 ( 2.658 -2.777 6.648) 7.679 5.377 ( 2.558 2.772 -2.008) 4.273 5.440 ( -10.586 -2.490 -14.603) 18.208 5.565 ( -4.354 1.517 -9.726) 10.764 8.209 ( 0.885 -4.801 -2.415) 5.447 8.269 ( -0.220 -3.805 -4.649) 6.011 8.372 ( -0.689 -5.239 1.884) 5.610 8.578 ( -3.637 -5.677 -7.662) 10.206 9.597 ( 2.296 -2.524 1.826) 3.870 9.702 ( 2.169 -0.264 -1.585) 2.699 9.991 ( -4.520 -1.334 5.244) 7.051 10.432 ( 1.458 -7.336 -6.667) 10.019 10.709 ( -1.134 0.208 -1.898) 2.221 10.749 ( 1.746 2.833 -0.758) 3.413 10.830 ( -0.478 0.321 0.156) 0.596 11.073 ( 3.855 -1.623 -3.302) 5.329 11.309 ( -8.111 2.135 1.481) 8.517 11.559 ( 5.001 1.400 1.810) 5.500 11.790 ( -4.404 8.285 2.867) 9.811 12.036 ( 0.650 5.203 -0.992) 5.337 13.487 ( -1.717 -1.869 5.210) 5.796 13.720 ( -2.226 -1.858 0.323) 2.917 14.005 ( 2.411 2.005 -2.345) 3.915 14.194 ( 8.482 6.389 -2.686) 10.953 14.392 ( 1.429 3.207 6.722) 7.583 14.548 ( -2.896 -2.101 -3.458) 4.975 14.726 ( -5.145 0.339 9.957) 11.213 15.381 ( 2.817 -3.960 -9.395) 10.577======================= Grid point 254 (127/205) =======================q-point: ( 0.22 0.11 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.894 ( 9.099 19.739 23.423) 31.954 3.325 ( 19.845 7.208 22.945) 31.181 3.508 ( 18.293 2.217 -17.191) 25.201 3.938 ( 11.416 8.668 -14.056) 20.076 4.290 ( -9.926 -1.185 1.884) 10.173 4.488 ( -14.368 8.184 7.450) 18.136 4.768 ( 10.251 3.726 29.205) 31.175 5.083 ( -0.325 -0.661 -5.498) 5.547 5.114 ( -4.432 -4.110 -0.839) 6.102 5.186 ( -1.549 -3.290 -6.690) 7.615 5.325 ( -1.394 -0.265 -2.668) 3.022 5.650 ( 7.542 3.690 10.964) 13.809 8.193 ( -1.337 -5.690 -3.932) 7.044 8.225 ( 0.463 -4.208 -3.455) 5.464 8.350 ( -2.774 -5.728 1.443) 6.526 8.447 ( -3.900 -6.049 -7.370) 10.301 9.633 ( 0.852 -2.519 -0.826) 2.784 9.709 ( 0.784 -0.675 -4.035) 4.166 9.880 ( -9.188 -1.344 1.711) 9.442 10.339 ( -3.403 -2.479 -11.214) 11.979 10.687 ( 0.019 1.034 -1.755) 2.037 10.749 ( -1.018 -0.937 1.401) 1.969 10.889 ( 4.938 0.673 1.154) 5.115 11.109 ( 0.378 -1.509 -0.354) 1.596 11.207 ( -2.511 3.137 1.493) 4.286 11.620 ( -0.840 0.974 2.453) 2.770 11.738 ( -2.115 7.272 1.452) 7.711 12.019 ( -1.033 6.343 -1.757) 6.662 13.493 ( -1.530 -1.042 4.734) 5.083 13.719 ( 1.342 -1.567 1.413) 2.501 14.030 ( 2.873 0.182 -4.952) 5.728 14.362 ( 9.346 5.001 -0.077) 10.600 14.436 ( -2.081 4.619 6.070) 7.907 14.475 ( -2.143 -2.655 -2.864) 4.455 14.735 ( -1.629 0.509 9.742) 9.891 15.346 ( 0.917 -3.641 -9.229) 9.964======================= Grid point 255 (128/205) =======================q-point: ( 0.33 0.11 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.272 ( 11.830 15.501 20.735) 28.463 3.684 ( -4.577 1.379 15.087) 15.826 3.732 ( 15.499 1.977 -14.512) 21.325 4.044 ( 0.146 5.470 8.693) 10.272 4.177 ( -5.362 4.721 -6.144) 9.422 4.180 ( -3.332 3.651 -5.668) 7.520 4.847 ( -5.578 0.805 -4.597) 7.273 4.997 ( 0.245 3.308 -10.526) 11.037 5.208 ( -1.696 -3.418 4.629) 5.999 5.311 ( 1.294 0.307 1.629) 2.103 5.337 ( 13.760 3.943 22.730) 26.862 5.890 ( 7.209 2.067 11.573) 13.790 8.107 ( -3.290 -6.043 -4.331) 8.130 8.242 ( 3.532 -4.900 -4.145) 7.326 8.294 ( -2.687 -6.949 -1.752) 7.654 8.324 ( -3.582 -6.207 -3.943) 8.180 9.597 ( -3.926 -4.225 -3.562) 6.779 9.668 ( -1.750 -1.362 -4.257) 4.799 9.715 ( -5.503 1.487 -2.028) 6.050 10.159 ( -4.982 -0.354 -13.085) 14.006 10.673 ( -0.567 1.154 -0.737) 1.482 10.745 ( 0.005 -2.299 0.116) 2.302 11.004 ( 4.811 1.187 2.559) 5.577 11.098 ( -1.977 0.936 4.821) 5.294 11.219 ( 1.798 1.221 -0.237) 2.186 11.583 ( -3.112 3.256 0.776) 4.570 11.729 ( -0.683 4.178 1.692) 4.559 11.981 ( -1.081 7.494 -2.092) 7.855 13.500 ( -1.368 -0.602 4.361) 4.610 13.784 ( 3.505 -2.103 2.420) 4.750 14.040 ( 2.582 -0.624 -6.055) 6.612 14.404 ( -2.879 -1.653 -1.231) 3.541 14.421 ( -3.349 4.268 4.204) 6.863 14.545 ( 8.023 3.343 1.216) 8.776 14.792 ( -0.412 1.340 8.796) 8.907 15.285 ( 0.377 -2.999 -9.010) 9.503======================= Grid point 256 (129/205) =======================q-point: (-0.56 0.11 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.416 ( -22.549 0.823 10.910) 25.063 3.595 ( -10.904 9.473 11.079) 18.203 3.756 ( 1.341 6.553 9.975) 12.010 3.935 ( 6.167 -1.230 -16.117) 17.300 4.177 ( 3.453 7.261 -0.105) 8.041 4.371 ( 10.080 -0.617 4.150) 10.918 4.695 ( -7.177 4.738 -1.810) 8.789 4.985 ( 3.562 6.206 -5.152) 8.817 5.139 ( -6.807 -0.008 3.440) 7.627 5.342 ( -1.302 0.058 2.981) 3.253 5.752 ( 12.080 3.101 15.742) 20.084 6.087 ( 5.094 1.091 8.222) 9.734 8.020 ( -2.046 -6.474 -3.778) 7.770 8.189 ( -1.503 -6.586 -7.958) 10.439 8.257 ( -2.129 -6.224 0.319) 6.586 8.348 ( 8.598 -6.672 -3.532) 11.442 9.466 ( -4.383 -3.670 -3.410) 6.656 9.599 ( -2.950 -0.626 -2.159) 3.709 9.625 ( -2.086 0.843 -5.256) 5.717 9.960 ( -4.850 0.128 -13.573) 14.414 10.657 ( -0.844 -0.432 0.724) 1.193 10.747 ( 0.691 -0.694 -1.431) 1.734 11.065 ( -2.002 1.121 5.548) 6.004 11.145 ( 2.977 1.237 4.571) 5.593 11.243 ( 0.388 1.522 -0.049) 1.571 11.541 ( -0.433 4.883 -2.028) 5.305 11.732 ( -0.649 1.768 2.935) 3.487 11.955 ( 0.485 8.626 -2.635) 9.033 13.506 ( -1.517 -0.534 4.391) 4.676 13.878 ( 3.928 -2.922 2.412) 5.457 14.041 ( 2.348 -0.537 -5.759) 6.242 14.323 ( -4.254 -2.668 -1.864) 5.356 14.391 ( -3.240 4.943 4.997) 7.740 14.682 ( 5.153 2.580 0.498) 5.785 14.839 ( -1.402 2.723 7.740) 8.323 15.237 ( 1.723 -2.675 -8.317) 8.905======================= Grid point 257 (130/205) =======================q-point: (-0.44 0.11 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.012 ( -25.745 3.468 11.531) 28.422 3.227 ( -26.967 3.392 13.095) 30.170 3.924 ( 5.277 -0.655 -13.377) 14.395 4.021 ( 3.599 6.055 11.231) 13.257 4.192 ( -4.759 13.132 11.877) 18.334 4.524 ( 3.112 -4.948 -4.554) 7.410 4.576 ( -0.321 3.790 -2.220) 4.404 4.983 ( -2.850 5.220 -1.876) 6.236 5.058 ( -5.006 3.424 8.066) 10.092 5.285 ( -5.908 1.748 2.215) 6.547 6.026 ( 6.527 1.958 8.814) 11.141 6.208 ( 2.747 0.610 3.428) 4.435 7.984 ( 1.056 -6.596 -2.750) 7.224 8.123 ( 0.733 -6.593 -6.741) 9.458 8.235 ( 0.330 -6.040 -1.308) 6.189 8.543 ( 14.728 -7.743 -5.073) 17.395 9.403 ( -0.868 -4.076 -1.446) 4.411 9.531 ( -2.156 -1.351 -0.938) 2.712 9.549 ( -1.650 0.945 -4.017) 4.444 9.777 ( -3.714 1.381 -10.974) 11.668 10.653 ( -0.397 -1.918 0.815) 2.121 10.751 ( 1.023 1.633 -1.540) 2.467 11.043 ( -4.508 0.249 5.634) 7.220 11.218 ( -1.424 1.097 0.888) 2.005 11.249 ( 2.431 1.498 3.694) 4.669 11.535 ( 1.910 7.304 -3.285) 8.233 11.747 ( -0.507 -0.607 3.215) 3.311 11.964 ( 2.719 9.676 -3.311) 10.582 13.506 ( -1.984 -0.807 4.656) 5.125 13.950 ( 2.984 -3.219 -2.815) 5.215 14.054 ( 1.840 -0.034 -0.354) 1.874 14.214 ( -5.323 -1.701 -1.868) 5.892 14.374 ( -2.513 3.937 5.101) 6.916 14.748 ( 1.267 1.830 0.665) 2.323 14.855 ( -1.934 4.316 5.310) 7.111 15.230 ( 3.697 -3.245 -7.502) 8.971======================= Grid point 258 (131/205) =======================q-point: (-0.33 0.11 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.612 ( -26.608 5.404 15.285) 31.158 2.824 ( -26.381 4.872 19.786) 33.335 3.856 ( -22.266 14.914 18.285) 32.443 3.969 ( 5.772 -1.793 -3.326) 6.899 4.345 ( 2.256 4.777 5.516) 7.638 4.409 ( -1.783 6.465 -5.437) 8.634 4.627 ( -0.308 -5.985 -5.077) 7.854 4.838 ( -7.328 2.938 -3.087) 8.477 5.036 ( -5.636 1.233 12.372) 13.651 5.214 ( -2.221 5.186 2.435) 6.144 6.143 ( 1.136 0.652 2.867) 3.152 6.243 ( 0.262 0.793 -1.997) 2.165 8.018 ( 3.954 -6.336 -1.500) 7.617 8.115 ( 2.948 -6.048 -5.182) 8.492 8.250 ( 2.645 -5.495 -2.606) 6.632 8.808 ( 16.765 -9.636 -10.388) 21.950 9.376 ( -1.612 -3.671 1.178) 4.178 9.472 ( -1.064 -4.536 -1.966) 5.057 9.565 ( 2.645 0.872 1.607) 3.216 9.691 ( 1.145 3.835 -1.824) 4.398 10.648 ( -0.139 -1.390 -0.690) 1.558 10.772 ( 1.955 2.353 -0.462) 3.094 10.984 ( -5.350 -0.242 4.554) 7.030 11.162 ( -3.304 3.265 -1.027) 4.757 11.329 ( 1.816 -2.113 2.912) 4.031 11.576 ( 4.716 9.349 -1.049) 10.524 11.749 ( -1.711 -1.667 2.259) 3.288 11.993 ( 2.405 10.173 -3.617) 11.061 13.500 ( -2.432 -1.497 4.915) 5.684 13.949 ( 1.609 -2.237 -7.764) 8.239 14.097 ( -2.509 1.183 -0.341) 2.794 14.104 ( -1.540 -0.523 3.760) 4.097 14.357 ( -3.652 2.803 4.207) 6.237 14.752 ( -1.708 1.081 2.901) 3.536 14.853 ( -1.071 4.502 2.056) 5.063 15.258 ( 5.044 -3.960 -7.770) 10.074======================= Grid point 259 (132/205) =======================q-point: (-0.22 0.11 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.204 ( -28.250 6.677 20.172) 35.349 2.543 ( -20.518 11.400 25.471) 34.637 3.601 ( -20.642 16.744 30.252) 40.270 4.120 ( 8.897 -3.835 4.251) 10.580 4.175 ( -5.917 7.227 -12.781) 15.830 4.320 ( -19.723 5.207 -7.553) 21.753 4.539 ( 4.234 0.001 5.706) 7.105 4.803 ( -0.583 -2.609 1.644) 3.138 5.027 ( -3.761 -2.105 9.778) 10.685 5.221 ( 0.761 5.291 1.666) 5.599 6.121 ( -3.205 -0.709 -3.167) 4.561 6.186 ( -2.579 1.382 -6.879) 7.476 8.101 ( 5.050 -6.097 -0.943) 7.973 8.151 ( 4.047 -4.819 -3.345) 7.127 8.288 ( 3.306 -4.871 -3.123) 6.664 8.929 ( 5.677 -9.071 -17.139) 20.206 9.379 ( 0.150 -4.010 3.709) 5.465 9.519 ( 3.785 -1.653 1.930) 4.559 9.669 ( 7.866 -3.625 5.237) 10.121 9.805 ( 8.149 1.678 6.294) 10.432 10.644 ( 0.838 0.299 -1.481) 1.728 10.813 ( 2.252 1.907 -0.276) 2.964 10.914 ( -4.672 -0.087 3.145) 5.633 11.090 ( -2.540 3.308 -2.060) 4.651 11.349 ( -0.442 -0.629 -0.029) 0.769 11.699 ( 0.157 0.504 4.065) 4.099 11.717 ( 3.472 5.123 -0.450) 6.205 11.987 ( -0.456 10.268 -3.179) 10.758 13.489 ( -2.548 -2.467 5.057) 6.177 13.909 ( -0.069 -2.553 -6.023) 6.542 14.022 ( -0.995 4.609 -3.600) 5.932 14.149 ( -0.455 -0.325 7.167) 7.188 14.272 ( -7.533 3.858 1.980) 8.692 14.743 ( -1.405 -0.255 2.262) 2.675 14.841 ( -2.197 3.060 2.788) 4.687 15.302 ( 5.907 -4.171 -8.869) 11.443======================= Grid point 260 (133/205) =======================q-point: (-0.11 0.11 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.934 ( -14.511 10.381 26.512) 31.956 2.407 ( -14.185 19.257 27.286) 36.285 3.561 ( -10.325 12.913 36.928) 40.460 3.843 ( -18.058 6.101 -10.381) 21.704 4.006 ( -2.035 9.245 -13.923) 16.836 4.371 ( 10.049 -5.215 10.128) 15.191 4.640 ( 1.317 -0.093 6.242) 6.381 4.771 ( -4.623 -1.307 5.274) 7.134 5.038 ( -2.249 -2.717 7.558) 8.341 5.260 ( 2.586 2.846 -0.260) 3.854 5.978 ( -6.428 -1.584 -9.041) 11.206 6.038 ( -5.724 1.455 -10.757) 12.272 8.171 ( 3.294 -5.656 -2.306) 6.939 8.223 ( 4.753 -3.611 -1.207) 6.090 8.323 ( 2.482 -4.519 -2.480) 5.721 8.838 ( -1.458 -6.898 -12.924) 14.723 9.437 ( 2.109 -3.970 4.976) 6.706 9.589 ( 2.795 0.813 1.373) 3.218 9.863 ( 5.646 -1.862 5.801) 8.306 10.105 ( 15.488 -8.447 5.604) 18.511 10.661 ( 2.186 1.630 -1.663) 3.193 10.823 ( -1.982 1.431 -0.784) 2.567 10.872 ( -0.695 1.088 1.610) 2.063 11.044 ( 0.221 1.079 -3.815) 3.971 11.346 ( 0.933 2.242 0.719) 2.533 11.611 ( -6.740 -1.133 1.272) 6.952 11.875 ( 6.579 5.967 1.826) 9.068 11.934 ( -2.667 9.398 -1.103) 9.831 13.481 ( -2.242 -3.085 5.161) 6.417 13.859 ( -1.539 -3.281 -3.115) 4.779 14.005 ( 1.671 5.742 -3.627) 6.994 14.116 ( -6.706 5.563 0.247) 8.717 14.215 ( 0.688 1.261 6.872) 7.021 14.712 ( -2.364 -0.636 -1.530) 2.887 14.812 ( -4.534 0.877 6.669) 8.112 15.347 ( 5.941 -4.058 -9.596) 11.993======================= Grid point 261 (134/205) =======================q-point: ( 0.00 0.22 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.455 ( 11.774 21.444 22.790) 33.435 2.905 ( -1.332 24.633 22.921) 33.674 3.627 ( -7.517 10.995 -13.202) 18.753 4.047 ( 0.392 18.423 14.489) 23.441 4.166 ( 1.634 12.893 4.936) 13.902 4.471 ( 5.581 -9.050 12.796) 16.637 4.635 ( -5.509 0.387 4.306) 7.003 4.722 ( 1.853 -6.576 7.947) 10.480 5.046 ( -0.339 0.211 6.469) 6.482 5.346 ( 3.547 0.916 0.536) 3.702 5.704 ( -10.988 -1.336 -10.248) 15.084 5.828 ( -8.746 1.030 -12.652) 15.415 8.081 ( 2.139 -7.189 -1.890) 7.735 8.196 ( 3.152 -6.331 -1.727) 7.280 8.232 ( 1.063 -5.959 -3.555) 7.020 8.560 ( -2.465 -8.982 -9.110) 13.029 9.462 ( 3.375 -2.769 4.677) 6.398 9.635 ( 3.073 -2.336 -1.045) 3.999 9.942 ( 1.833 -2.866 5.558) 6.517 10.144 ( 6.830 -11.202 3.982) 13.711 10.731 ( 1.300 1.335 -0.407) 1.908 10.803 ( -1.372 2.665 -1.716) 3.453 10.911 ( -2.813 1.979 -0.766) 3.524 10.998 ( 3.450 -1.678 -3.838) 5.427 11.490 ( -6.438 3.252 4.949) 8.747 11.509 ( 1.311 3.721 2.998) 4.955 12.057 ( -2.617 10.224 -1.816) 10.708 12.126 ( 4.210 9.091 -2.097) 10.236 13.429 ( -1.242 -2.146 5.043) 5.619 13.746 ( -2.482 -0.833 -2.210) 3.426 14.055 ( -3.786 0.257 3.789) 5.363 14.242 ( 5.173 8.116 -3.592) 10.273 14.344 ( 3.555 3.320 5.025) 6.993 14.583 ( -5.485 -4.756 -1.821) 7.484 14.794 ( -4.480 3.006 6.094) 8.138 15.284 ( 4.597 -5.371 -9.183) 11.589======================= Grid point 262 (135/205) =======================q-point: ( 0.11 0.22 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.967 ( 21.345 17.048 21.033) 34.477 3.092 ( 3.487 26.455 20.421) 33.602 3.497 ( 5.770 9.603 -15.754) 19.331 4.097 ( 7.794 14.579 -14.578) 22.042 4.389 ( 0.415 7.728 16.707) 18.412 4.523 ( -2.511 3.433 20.889) 21.317 4.669 ( 1.654 -1.286 8.300) 8.560 4.857 ( 3.935 -8.315 9.808) 13.446 5.102 ( 0.480 0.489 6.870) 6.904 5.335 ( -9.760 -3.864 -11.902) 15.870 5.454 ( -2.851 1.607 -6.293) 7.092 5.602 ( -2.346 2.057 -3.779) 4.901 8.089 ( 0.371 -7.059 -2.058) 7.363 8.179 ( -0.894 -5.080 -5.832) 7.786 8.237 ( -0.599 -8.369 1.116) 8.465 8.434 ( -3.725 -8.766 -8.152) 12.537 9.548 ( 2.441 -2.376 2.133) 4.019 9.672 ( 2.273 -2.808 -3.138) 4.785 9.951 ( -4.247 -2.696 3.769) 6.286 10.260 ( 3.674 -9.893 -1.328) 10.636 10.724 ( -0.883 1.381 -0.616) 1.751 10.816 ( 2.157 3.880 -1.384) 4.650 10.832 ( -2.678 0.046 -0.421) 2.711 11.049 ( 3.719 -0.775 -2.654) 4.635 11.367 ( -7.616 3.761 3.963) 9.373 11.592 ( 1.909 1.762 4.494) 5.191 11.988 ( -3.144 11.520 -0.858) 11.972 12.171 ( 2.261 8.454 -3.001) 9.251 13.449 ( -0.834 -1.709 5.104) 5.447 13.697 ( -0.777 -0.042 -1.282) 1.500 14.023 ( -1.970 -0.964 2.203) 3.109 14.341 ( 7.227 7.889 -2.108) 10.905 14.453 ( 0.271 -0.525 3.087) 3.143 14.480 ( -0.871 -1.850 0.428) 2.089 14.758 ( -3.668 3.469 6.059) 7.887 15.287 ( 2.793 -5.358 -8.821) 10.693======================= Grid point 263 (136/205) =======================q-point: ( 0.22 0.22 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.346 ( 7.325 24.787 18.146) 31.580 3.511 ( 16.002 11.515 20.249) 28.262 3.588 ( 14.907 6.045 -15.377) 22.253 4.140 ( 6.095 11.530 -12.173) 17.840 4.303 ( -4.713 2.224 -1.970) 5.571 4.644 ( -13.198 7.035 5.055) 15.787 4.842 ( 5.846 1.157 11.949) 13.352 5.011 ( 4.740 -5.631 8.320) 11.108 5.084 ( -0.197 2.910 10.710) 11.100 5.145 ( 0.529 -0.401 -8.141) 8.168 5.308 ( -3.047 -1.105 -3.323) 4.642 5.728 ( 6.689 3.743 10.425) 12.940 8.058 ( -2.023 -7.673 -3.856) 8.822 8.114 ( -0.655 -6.755 -3.962) 7.858 8.207 ( -2.926 -8.538 0.295) 9.030 8.293 ( -4.387 -9.355 -7.564) 12.805 9.576 ( -0.248 -3.246 -1.054) 3.422 9.670 ( 0.744 -3.391 -5.437) 6.451 9.854 ( -6.621 -0.981 0.669) 6.727 10.256 ( -1.038 -6.056 -6.608) 9.023 10.709 ( 0.242 1.237 -1.409) 1.890 10.752 ( -3.235 1.411 -0.010) 3.529 10.913 ( 5.411 1.940 1.705) 5.996 11.093 ( 1.906 -0.266 0.049) 1.925 11.276 ( -4.277 4.197 3.520) 6.949 11.632 ( -1.505 0.112 4.717) 4.953 11.926 ( -2.638 11.467 -0.620) 11.782 12.173 ( 0.842 9.068 -3.921) 9.915 13.470 ( -0.958 -1.136 4.877) 5.098 13.702 ( 1.844 0.164 -0.423) 1.899 14.006 ( -1.053 -3.025 0.715) 3.282 14.379 ( -3.066 -7.381 -1.846) 8.203 14.485 ( 7.658 7.078 0.501) 10.440 14.551 ( 0.482 6.643 4.707) 8.156 14.761 ( -0.242 2.545 5.758) 6.300 15.260 ( 1.330 -4.832 -8.493) 9.862======================= Grid point 264 (137/205) =======================q-point: ( 0.33 0.22 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.619 ( 4.804 16.436 13.980) 22.106 3.745 ( -0.427 5.290 4.998) 7.290 3.797 ( 11.835 6.893 -5.082) 14.608 4.181 ( -2.407 7.412 -0.484) 7.808 4.243 ( 1.371 3.565 -15.842) 16.296 4.302 ( -10.500 7.344 7.000) 14.600 4.868 ( -0.900 0.738 -1.564) 1.949 5.082 ( 1.841 5.054 -6.137) 8.161 5.140 ( 2.162 -3.049 5.759) 6.865 5.298 ( 0.303 -1.384 2.653) 3.007 5.453 ( 13.454 8.177 22.851) 27.749 5.942 ( 5.983 3.014 11.574) 13.373 7.959 ( -3.859 -8.613 -4.848) 10.610 8.108 ( 1.575 -9.358 -2.873) 9.915 8.129 ( -1.957 -8.640 -6.639) 11.070 8.168 ( -4.083 -9.360 -1.482) 10.319 9.510 ( -4.284 -4.476 -4.136) 7.450 9.621 ( -0.908 -3.614 -6.006) 7.068 9.744 ( -4.133 1.778 -1.455) 4.729 10.133 ( -4.275 -2.652 -10.572) 11.708 10.697 ( -2.787 0.497 0.567) 2.888 10.713 ( 1.516 0.154 -2.095) 2.590 11.039 ( 4.949 2.450 3.329) 6.448 11.127 ( -0.372 2.007 5.429) 5.800 11.257 ( 0.224 2.827 1.148) 3.060 11.618 ( -2.545 0.303 3.359) 4.225 11.876 ( -2.419 10.361 0.272) 10.643 12.153 ( 0.715 9.628 -4.592) 10.691 13.486 ( -1.193 -0.700 4.666) 4.867 13.755 ( 3.395 -0.519 0.512) 3.473 13.992 ( -0.427 -4.521 -0.471) 4.566 14.311 ( -2.760 -7.102 -1.649) 7.796 14.551 ( -2.953 7.644 4.890) 9.543 14.644 ( 7.171 6.646 0.626) 9.798 14.825 ( 1.550 1.980 5.694) 6.225 15.216 ( 0.853 -3.845 -8.072) 8.981======================= Grid point 265 (138/205) =======================q-point: (-0.56 0.22 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.472 ( -20.234 5.052 9.375) 22.865 3.744 ( -20.542 5.883 -0.306) 21.371 3.913 ( 6.576 1.564 -9.830) 11.930 3.996 ( 8.063 13.283 2.159) 15.688 4.221 ( 7.641 -1.509 -10.012) 12.685 4.475 ( 1.851 10.906 18.883) 21.884 4.813 ( -3.842 6.241 -0.909) 7.385 5.104 ( -0.122 3.948 -0.153) 3.953 5.166 ( -0.920 4.752 3.164) 5.783 5.334 ( 0.145 -0.959 2.999) 3.152 5.839 ( 10.528 5.905 15.380) 19.551 6.119 ( 3.884 2.174 9.144) 10.170 7.859 ( -2.310 -9.478 -4.288) 10.656 8.014 ( -1.855 -10.992 -7.801) 13.606 8.106 ( -1.783 -8.855 -0.563) 9.050 8.185 ( 7.670 -9.581 -4.043) 12.921 9.393 ( -3.384 -3.516 -4.153) 6.408 9.550 ( -1.946 -3.886 -5.600) 7.089 9.659 ( -3.225 2.250 -2.466) 4.642 9.955 ( -4.759 -0.877 -11.449) 12.429 10.653 ( -1.981 0.133 0.525) 2.054 10.735 ( 2.392 -0.555 -2.455) 3.472 11.101 ( -2.522 2.574 5.806) 6.834 11.188 ( 1.303 2.924 6.918) 7.623 11.286 ( 1.828 3.054 0.163) 3.563 11.611 ( 1.013 1.667 0.311) 1.975 11.834 ( -2.794 8.759 1.954) 9.399 12.141 ( 2.147 9.845 -5.317) 11.393 13.494 ( -1.651 -0.464 4.701) 5.004 13.831 ( 3.531 -1.746 0.962) 4.055 13.985 ( 0.422 -5.346 -1.104) 5.475 14.242 ( -3.072 -5.527 -1.506) 6.500 14.520 ( -3.437 7.893 4.085) 9.529 14.765 ( 4.512 5.805 0.583) 7.375 14.891 ( 0.629 2.216 5.663) 6.114 15.176 ( 1.250 -3.223 -7.533) 8.289======================= Grid point 266 (139/205) =======================q-point: (-0.44 0.22 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.120 ( -22.696 7.705 10.045) 25.988 3.325 ( -23.586 6.741 7.555) 25.667 3.889 ( 1.805 -2.946 -12.023) 12.510 4.157 ( 7.869 2.501 -2.005) 8.497 4.399 ( 9.271 5.094 4.786) 11.611 4.521 ( -11.605 12.874 15.779) 23.439 4.722 ( -3.447 8.706 -3.372) 9.952 5.048 ( -6.368 2.918 6.667) 9.671 5.164 ( -3.653 5.770 1.346) 6.961 5.327 ( -2.026 2.571 1.943) 3.806 6.080 ( 4.600 3.547 9.101) 10.797 6.229 ( 1.960 1.634 4.950) 5.569 7.819 ( 1.313 -9.781 -3.210) 10.377 7.950 ( 1.160 -10.875 -6.736) 12.845 8.090 ( 1.312 -8.209 -2.179) 8.594 8.351 ( 12.858 -11.564 -5.396) 18.116 9.330 ( -1.158 -3.410 -1.918) 4.080 9.459 ( -2.997 -4.552 -5.289) 7.595 9.593 ( -1.623 2.420 -1.030) 3.091 9.800 ( -2.746 0.720 -8.195) 8.673 10.632 ( -0.516 -0.123 0.403) 0.666 10.767 ( 2.922 -0.022 -2.689) 3.971 11.067 ( -5.007 2.232 5.546) 7.798 11.224 ( -2.858 0.513 5.630) 6.334 11.329 ( 1.822 5.588 1.665) 6.108 11.665 ( 4.981 4.093 -2.284) 6.839 11.797 ( -3.269 6.968 3.525) 8.465 12.159 ( 4.061 9.746 -5.972) 12.130 13.491 ( -2.452 -0.486 4.814) 5.425 13.892 ( 2.567 -2.711 -1.558) 4.046 13.996 ( 0.836 -5.878 1.477) 6.118 14.175 ( -2.304 -2.218 -1.679) 3.612 14.484 ( -3.501 7.045 3.965) 8.809 14.823 ( 0.951 5.545 0.696) 5.669 14.930 ( -0.872 2.734 4.777) 5.573 15.153 ( 2.472 -4.012 -7.513) 8.869======================= Grid point 267 (140/205) =======================q-point: (-0.33 0.22 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.762 ( -23.651 10.027 13.320) 28.937 2.976 ( -20.571 10.928 16.198) 28.372 3.873 ( 3.019 -6.254 -2.678) 7.443 4.225 ( -7.113 14.892 7.658) 18.193 4.365 ( -6.872 -2.068 7.031) 10.047 4.518 ( -2.863 8.830 -2.660) 9.656 4.669 ( 3.029 9.181 -0.372) 9.675 4.912 ( -12.289 4.863 -0.067) 13.217 5.069 ( -7.582 2.030 9.618) 12.414 5.311 ( -1.224 4.272 1.552) 4.707 6.162 ( -0.824 1.342 3.537) 3.871 6.268 ( -0.130 1.763 0.101) 1.770 7.859 ( 4.600 -9.486 -2.012) 10.733 7.957 ( 4.057 -9.952 -5.152) 11.919 8.120 ( 3.879 -7.130 -3.515) 8.845 8.572 ( 14.283 -13.974 -8.960) 21.899 9.301 ( -1.413 -3.699 0.956) 4.074 9.377 ( -1.106 -4.858 -2.335) 5.502 9.591 ( 0.901 1.566 1.209) 2.174 9.749 ( 1.530 2.013 -1.259) 2.824 10.637 ( 0.843 0.347 -0.205) 0.934 10.806 ( 3.210 0.934 -2.476) 4.160 11.004 ( -5.102 2.183 4.214) 6.968 11.178 ( -4.391 -1.040 1.944) 4.914 11.373 ( 0.651 5.894 3.246) 6.760 11.743 ( -0.457 0.946 2.934) 3.116 11.774 ( 2.988 10.589 -1.111) 11.058 12.192 ( 3.600 9.611 -6.277) 12.030 13.473 ( -3.218 -0.901 4.795) 5.844 13.898 ( 0.803 -2.582 -4.805) 5.513 14.040 ( 0.357 -6.002 5.721) 8.300 14.135 ( -0.037 1.945 -2.519) 3.183 14.441 ( -4.283 5.737 3.866) 8.137 14.817 ( -2.202 5.167 1.565) 5.831 14.928 ( -2.548 2.427 3.329) 4.844 15.162 ( 4.644 -5.179 -8.280) 10.814======================= Grid point 268 (141/205) =======================q-point: (-0.22 0.22 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.418 ( -22.707 15.110 18.061) 32.713 2.802 ( -13.149 15.084 23.103) 30.564 3.946 ( -2.182 1.912 10.520) 10.913 4.074 ( -9.518 14.470 18.163) 25.098 4.339 ( -8.762 -0.918 -4.744) 10.006 4.359 ( -2.954 4.570 -7.943) 9.628 4.589 ( -6.601 8.375 -4.046) 11.405 4.798 ( -0.888 2.691 4.798) 5.572 5.015 ( -5.567 0.114 9.587) 11.086 5.299 ( -0.976 2.621 1.116) 3.012 6.113 ( -4.658 0.095 -2.056) 5.092 6.217 ( -3.370 1.729 -4.670) 6.012 7.950 ( 5.594 -8.968 -1.571) 10.686 8.021 ( 5.634 -8.451 -3.063) 10.608 8.176 ( 4.681 -5.919 -4.413) 8.741 8.702 ( 7.039 -13.630 -13.525) 20.451 9.302 ( -0.023 -3.747 3.892) 5.403 9.433 ( 6.285 -6.056 3.406) 9.369 9.637 ( 2.851 -0.105 3.019) 4.153 9.829 ( 4.513 0.662 4.825) 6.640 10.660 ( 1.904 1.395 -0.729) 2.470 10.853 ( 3.328 1.747 -2.028) 4.271 10.938 ( -4.253 2.252 2.172) 5.281 11.098 ( -4.124 -1.924 -0.481) 4.577 11.403 ( 0.212 5.941 2.754) 6.552 11.698 ( -5.575 1.040 5.180) 7.681 11.883 ( 7.458 9.673 -1.887) 12.359 12.190 ( 0.892 9.965 -5.915) 11.622 13.444 ( -3.255 -1.577 4.728) 5.952 13.864 ( -0.459 -1.706 -4.532) 4.864 14.080 ( -0.714 -3.661 5.197) 6.397 14.141 ( 2.257 3.437 -1.390) 4.341 14.367 ( -5.881 5.785 2.689) 8.677 14.774 ( -3.262 2.809 1.171) 4.461 14.886 ( -4.174 1.351 3.533) 5.633 15.202 ( 6.156 -5.272 -9.109) 12.193======================= Grid point 269 (142/205) =======================q-point: (-0.11 0.22 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.245 ( -8.886 20.922 22.561) 32.026 2.798 ( -6.702 19.968 24.918) 32.627 3.896 ( -11.771 18.631 15.381) 26.875 4.012 ( -14.190 11.392 2.019) 18.308 4.214 ( 0.804 2.843 -1.733) 3.425 4.239 ( 4.215 0.465 4.217) 5.980 4.593 ( 3.676 -4.346 1.647) 5.926 4.761 ( -6.559 1.240 5.535) 8.671 5.013 ( -1.565 -0.252 7.032) 7.208 5.300 ( 0.811 1.031 0.368) 1.362 5.955 ( -7.972 -0.604 -6.927) 10.578 6.066 ( -6.701 1.381 -9.201) 11.466 8.034 ( 4.221 -8.088 -1.907) 9.321 8.117 ( 5.457 -7.403 -1.080) 9.260 8.223 ( 3.521 -5.052 -4.949) 7.901 8.664 ( 0.213 -10.624 -11.767) 15.855 9.363 ( 2.365 -3.432 5.488) 6.891 9.569 ( 4.431 -3.274 0.477) 5.531 9.790 ( 8.278 -5.049 6.060) 11.434 9.973 ( 5.400 -4.466 7.305) 10.123 10.697 ( 2.349 1.992 -0.869) 3.200 10.865 ( -3.399 2.644 -0.403) 4.325 10.906 ( 2.774 1.966 -1.192) 3.603 11.021 ( -2.533 -2.552 -2.310) 4.274 11.435 ( 1.257 6.316 2.960) 7.088 11.612 ( -7.124 1.191 4.543) 8.533 12.014 ( 6.625 8.128 -0.936) 10.528 12.140 ( -1.571 11.108 -4.461) 12.073 13.425 ( -2.336 -2.097 4.818) 5.750 13.812 ( -1.818 -1.281 -3.418) 4.078 14.091 ( -2.129 -0.786 4.034) 4.628 14.189 ( 2.807 4.120 -0.678) 5.032 14.289 ( -2.142 6.513 2.108) 7.173 14.698 ( -4.896 -1.669 -0.764) 5.228 14.835 ( -4.361 2.031 5.270) 7.136 15.251 ( 5.967 -5.228 -9.376) 12.282======================= Grid point 270 (143/205) =======================q-point: ( 0.00 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.904 ( 10.065 24.484 19.154) 32.675 3.319 ( 1.605 18.460 20.634) 27.733 3.856 ( -7.076 11.195 -9.825) 16.490 4.186 ( 6.152 -11.289 14.100) 19.081 4.308 ( 3.520 -1.995 2.996) 5.035 4.486 ( 0.957 14.797 9.734) 17.738 4.623 ( -6.173 -0.213 1.888) 6.459 4.700 ( -0.374 8.462 9.015) 12.370 5.025 ( 2.225 -2.923 -1.717) 4.055 5.338 ( 2.829 -2.160 4.507) 5.743 5.709 ( -12.738 1.997 -6.162) 14.291 5.842 ( -10.129 0.297 -9.607) 13.963 7.949 ( 2.514 -5.947 -1.377) 6.602 8.042 ( 3.089 -8.331 -0.079) 8.885 8.158 ( 1.353 -2.155 -7.534) 7.952 8.383 ( -1.418 -8.945 -9.301) 12.982 9.424 ( 4.033 -0.967 4.288) 5.966 9.570 ( 3.424 -4.178 -0.738) 5.452 9.870 ( 3.792 -3.940 5.299) 7.615 9.968 ( 2.305 -6.990 5.044) 8.923 10.761 ( 0.185 1.713 0.909) 1.948 10.833 ( -1.462 0.167 -0.441) 1.536 10.944 ( -2.081 1.871 -1.795) 3.324 10.991 ( 3.691 0.613 -2.741) 4.638 11.548 ( -7.494 3.129 5.654) 9.895 11.587 ( -0.492 3.411 5.345) 6.360 12.230 ( 2.070 8.105 -3.824) 9.198 12.316 ( 2.992 8.826 -5.827) 10.991 13.420 ( -1.848 1.952 5.836) 6.426 13.762 ( -1.457 2.092 -2.774) 3.768 13.984 ( -4.132 -6.443 7.140) 10.467 14.336 ( 2.984 -2.642 -2.967) 4.968 14.429 ( 2.626 4.784 2.240) 5.899 14.479 ( -4.971 -1.931 0.666) 5.375 14.882 ( -2.244 5.823 2.121) 6.591 15.189 ( 3.562 -4.485 -7.626) 9.537======================= Grid point 271 (144/205) =======================q-point: ( 0.11 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.321 ( 16.864 19.138 17.459) 30.911 3.522 ( 4.538 17.214 16.489) 24.265 3.725 ( 1.910 13.795 -10.589) 17.495 4.312 ( 6.329 3.822 -7.845) 10.780 4.468 ( -7.107 4.256 0.875) 8.330 4.500 ( 7.385 -10.919 12.401) 18.099 4.662 ( 5.630 -0.466 10.487) 11.912 4.850 ( 4.194 11.997 16.377) 20.730 5.066 ( 4.349 -4.466 -4.776) 7.853 5.337 ( -12.769 4.173 0.214) 13.435 5.467 ( -4.814 -0.135 -3.968) 6.240 5.625 ( -2.051 -0.184 0.063) 2.060 7.961 ( -0.101 -5.709 -1.410) 5.881 8.069 ( -0.622 -8.462 0.379) 8.493 8.095 ( -1.596 -3.301 -7.336) 8.202 8.263 ( -3.672 -8.440 -8.790) 12.727 9.511 ( 2.153 -1.318 1.397) 2.885 9.604 ( 1.826 -3.876 -3.298) 5.407 9.900 ( -2.510 -2.209 2.907) 4.431 10.077 ( 4.238 -8.679 1.918) 9.847 10.758 ( -0.799 1.945 0.511) 2.164 10.826 ( -0.773 -0.360 0.578) 1.030 10.899 ( 0.439 4.290 -1.946) 4.731 11.038 ( 3.241 -0.566 -2.277) 4.001 11.448 ( -7.057 4.529 5.510) 10.033 11.614 ( -1.506 0.257 6.240) 6.424 12.206 ( -0.680 10.666 -4.029) 11.422 12.337 ( 2.972 7.906 -5.412) 10.031 13.437 ( -1.138 1.147 5.867) 6.085 13.727 ( 0.037 2.906 -2.189) 3.639 13.949 ( -4.675 -6.488 6.445) 10.271 14.284 ( -4.452 -10.917 -1.445) 11.878 14.495 ( 5.068 6.286 -0.187) 8.077 14.539 ( 5.264 3.547 3.449) 7.224 14.856 ( -1.915 6.286 1.794) 6.812 15.189 ( 2.333 -4.838 -7.323) 9.082======================= Grid point 272 (145/205) =======================q-point: ( 0.22 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.716 ( 7.410 9.359 4.387) 12.718 3.729 ( 9.481 9.099 1.214) 13.196 3.795 ( 9.437 19.733 12.116) 25.004 4.348 ( 3.085 8.902 -13.091) 16.128 4.365 ( -0.580 4.325 1.424) 4.590 4.696 ( -0.133 -4.067 4.639) 6.170 4.763 ( -5.385 -5.343 -3.409) 8.317 4.909 ( 4.668 -5.383 -1.494) 7.280 5.179 ( 0.926 3.901 2.548) 4.750 5.256 ( 6.274 11.364 19.168) 23.150 5.305 ( -3.805 2.595 1.495) 4.842 5.771 ( 6.692 0.170 11.424) 13.240 7.922 ( -2.698 -5.908 -3.016) 7.161 7.989 ( -2.734 -5.802 -4.997) 8.130 8.043 ( -2.491 -7.973 -0.637) 8.377 8.113 ( -4.672 -8.754 -8.570) 13.111 9.517 ( -1.299 -2.617 -2.139) 3.621 9.591 ( 0.314 -4.418 -5.671) 7.196 9.853 ( -3.182 1.028 0.428) 3.372 10.122 ( 0.481 -7.324 -2.594) 7.785 10.739 ( -0.950 1.826 -1.424) 2.503 10.782 ( -2.594 1.202 -0.660) 2.934 10.964 ( 5.120 3.287 2.023) 6.411 11.089 ( 2.982 -0.371 0.532) 3.052 11.368 ( -5.188 5.197 5.055) 8.915 11.617 ( -3.193 -1.821 6.396) 7.377 12.154 ( -1.660 11.696 -3.453) 12.308 12.340 ( 1.813 7.452 -6.032) 9.757 13.461 ( -0.921 0.732 5.444) 5.570 13.732 ( 1.818 2.790 -1.518) 3.660 13.906 ( -4.339 -7.237 5.550) 10.099 14.199 ( -3.061 -10.650 -1.223) 11.149 14.611 ( 5.434 5.721 2.162) 8.181 14.664 ( 4.335 4.439 3.886) 7.321 14.842 ( -0.285 5.803 0.839) 5.870 15.170 ( 1.527 -4.506 -7.077) 8.528======================= Grid point 273 (146/205) =======================q-point: ( 0.33 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.788 ( -7.669 5.213 7.484) 11.916 3.836 ( 10.259 3.899 -11.680) 16.027 4.089 ( 8.572 17.747 12.681) 23.436 4.261 ( -1.782 1.904 -20.787) 20.950 4.318 ( -17.112 2.921 -10.627) 20.354 4.476 ( 5.312 10.644 14.239) 18.555 4.836 ( 2.706 -4.539 2.897) 6.027 5.057 ( 4.813 -5.035 5.791) 9.058 5.207 ( 4.199 6.102 -0.611) 7.432 5.289 ( -0.320 1.174 4.771) 4.924 5.642 ( 11.477 10.939 20.377) 25.819 5.987 ( 5.710 1.159 12.119) 13.446 7.806 ( -4.780 -6.580 -5.412) 9.769 7.916 ( -3.238 -9.483 -5.268) 11.321 7.978 ( 0.102 -7.140 -5.720) 9.149 7.990 ( -2.963 -8.435 -1.603) 9.083 9.439 ( -3.423 -2.648 -4.686) 6.378 9.537 ( -0.741 -4.712 -6.680) 8.208 9.789 ( -3.106 3.031 -1.412) 4.564 10.058 ( -3.034 -4.887 -6.974) 9.040 10.703 ( -1.593 0.901 -0.988) 2.080 10.735 ( -0.889 0.990 -2.185) 2.559 11.094 ( 4.844 3.063 4.262) 7.142 11.163 ( 2.048 1.409 5.289) 5.844 11.330 ( -1.683 4.726 3.184) 5.941 11.598 ( -2.925 -2.339 5.367) 6.545 12.093 ( -2.165 11.579 -2.576) 12.058 12.320 ( 1.370 6.902 -6.694) 9.712 13.483 ( -1.025 0.808 5.053) 5.219 13.769 ( 2.719 1.799 -0.788) 3.354 13.868 ( -3.336 -7.991 4.334) 9.684 14.146 ( -1.563 -9.439 -1.155) 9.637 14.689 ( -1.148 6.357 5.112) 8.238 14.776 ( 5.411 5.888 1.860) 8.210 14.869 ( 2.121 3.162 1.120) 3.969 15.145 ( 1.424 -3.594 -6.719) 7.752======================= Grid point 274 (147/205) =======================q-point: (-0.56 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.602 ( -15.372 8.085 5.326) 18.167 3.841 ( -18.048 4.288 -6.074) 19.520 3.924 ( 3.857 0.159 -11.837) 12.450 4.079 ( -1.723 -4.549 -15.134) 15.897 4.365 ( 8.440 15.004 11.372) 20.632 4.702 ( 3.149 11.776 16.789) 20.748 4.879 ( 0.283 -0.127 0.636) 0.708 5.145 ( -0.699 0.413 5.447) 5.507 5.287 ( -0.447 5.373 3.093) 6.215 5.323 ( 2.547 1.466 2.958) 4.170 5.970 ( 8.065 7.329 14.368) 18.034 6.160 ( 3.230 1.755 10.043) 10.695 7.688 ( -2.741 -7.608 -5.077) 9.548 7.798 ( -2.425 -10.692 -7.271) 13.156 7.944 ( -0.434 -7.320 -1.930) 7.583 8.004 ( 5.963 -8.699 -4.680) 11.538 9.342 ( -2.443 -1.643 -4.579) 5.443 9.463 ( -1.712 -4.731 -6.521) 8.236 9.711 ( -3.346 3.161 -2.192) 5.099 9.922 ( -4.177 -2.651 -8.549) 9.877 10.664 ( -1.609 1.004 -0.348) 1.928 10.725 ( 1.735 -0.537 -2.783) 3.324 11.160 ( -2.714 3.330 6.491) 7.784 11.238 ( -0.585 1.842 8.100) 8.328 11.364 ( 3.372 4.996 1.230) 6.152 11.611 ( 1.479 -1.479 3.055) 3.703 12.033 ( -2.264 11.085 -1.718) 11.443 12.300 ( 2.375 5.906 -7.419) 9.776 13.498 ( -1.432 1.144 4.933) 5.262 13.818 ( 2.405 0.548 0.188) 2.474 13.847 ( -1.611 -8.522 2.701) 9.084 14.118 ( -0.303 -7.188 -1.285) 7.309 14.672 ( -3.457 7.488 3.908) 9.127 14.882 ( 3.280 4.719 2.571) 6.296 14.916 ( 1.251 1.462 1.618) 2.514 15.125 ( 1.507 -2.102 -6.120) 6.644======================= Grid point 275 (148/205) =======================q-point: (-0.44 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.298 ( -19.073 10.416 5.052) 22.312 3.481 ( -17.295 9.274 4.175) 20.064 3.810 ( -3.728 -5.336 -9.821) 11.782 4.060 ( 4.495 -8.910 -6.106) 11.699 4.590 ( 6.165 11.854 9.096) 16.164 4.799 ( -5.498 13.451 12.387) 19.094 4.858 ( -2.210 4.628 -0.727) 5.180 5.119 ( -5.664 4.077 6.670) 9.653 5.247 ( -6.168 3.097 3.040) 7.542 5.376 ( 0.017 2.139 2.168) 3.046 6.159 ( 1.995 4.474 9.264) 10.479 6.265 ( 1.196 1.836 6.566) 6.922 7.639 ( 1.556 -8.128 -4.020) 9.200 7.734 ( 1.505 -10.732 -6.416) 12.594 7.949 ( 3.124 -5.808 -3.452) 7.443 8.128 ( 10.607 -10.951 -5.706) 16.278 9.279 ( -1.368 -1.676 -2.582) 3.369 9.372 ( -2.845 -4.288 -5.489) 7.524 9.643 ( -1.874 2.842 -1.072) 3.569 9.798 ( -2.115 -1.055 -6.024) 6.471 10.645 ( -0.035 1.346 -0.237) 1.367 10.753 ( 3.206 -1.348 -2.907) 4.533 11.123 ( -5.324 3.344 5.877) 8.606 11.234 ( -5.435 0.229 7.255) 9.068 11.449 ( 3.195 6.709 2.260) 7.767 11.693 ( 3.843 -0.342 2.471) 4.581 11.985 ( -0.984 11.034 -1.992) 11.255 12.305 ( 4.152 4.581 -8.074) 10.170 13.500 ( -2.304 1.681 4.941) 5.705 13.847 ( 1.199 -7.223 -1.739) 7.526 13.862 ( 0.449 -1.706 4.279) 4.628 14.117 ( 1.446 -4.239 -1.775) 4.817 14.625 ( -4.254 7.242 3.539) 9.114 14.923 ( -2.236 -1.191 4.989) 5.595 14.946 ( 1.426 4.476 -0.535) 4.728 15.109 ( 1.804 -0.494 -6.210) 6.485======================= Grid point 276 (149/205) =======================q-point: (-0.33 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.986 ( -18.738 12.950 10.888) 25.246 3.229 ( -14.385 14.849 11.049) 23.442 3.718 ( -1.446 -9.818 0.421) 9.933 4.096 ( 2.449 -13.068 -2.456) 13.520 4.672 ( -10.671 17.300 12.905) 24.077 4.710 ( -4.495 10.803 -2.080) 11.884 4.830 ( 1.264 6.870 2.459) 7.405 5.019 ( -9.691 5.532 0.599) 11.175 5.112 ( -9.230 2.587 6.418) 11.535 5.360 ( -3.038 0.430 2.258) 3.810 6.200 ( -2.749 2.762 4.738) 6.135 6.302 ( -1.236 1.449 2.344) 3.020 7.683 ( 5.314 -8.045 -2.775) 10.033 7.758 ( 5.133 -9.964 -4.888) 12.228 8.007 ( 5.875 -4.018 -4.789) 8.579 8.305 ( 12.126 -13.144 -7.936) 19.565 9.243 ( -1.391 -2.262 0.225) 2.665 9.293 ( -1.249 -3.772 -2.190) 4.537 9.628 ( 0.081 2.349 0.978) 2.545 9.765 ( 1.397 -0.419 -0.858) 1.692 10.659 ( 1.535 1.816 -0.261) 2.392 10.801 ( 4.037 -1.505 -3.125) 5.322 11.057 ( -5.167 3.084 4.184) 7.329 11.159 ( -6.724 -0.766 4.924) 8.369 11.509 ( 0.879 7.555 3.076) 8.204 11.754 ( -1.282 0.013 5.009) 5.171 11.987 ( 4.208 11.144 -4.181) 12.624 12.328 ( 4.364 3.803 -8.376) 10.182 13.482 ( -3.349 2.259 4.910) 6.359 13.856 ( 1.476 -3.964 -3.264) 5.343 13.907 ( 0.226 -4.440 5.812) 7.318 14.146 ( 3.105 -1.471 -2.370) 4.174 14.562 ( -5.159 6.410 3.634) 8.995 14.879 ( -5.713 -3.211 3.690) 7.520 14.953 ( -0.756 4.392 0.887) 4.544 15.108 ( 3.544 -0.381 -7.345) 8.164======================= Grid point 277 (150/205) =======================q-point: (-0.22 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.754 ( -15.357 19.107 16.796) 29.715 3.114 ( -8.340 17.255 17.282) 25.806 3.768 ( 2.360 -13.016 10.052) 16.614 4.117 ( 0.270 -14.900 0.950) 14.933 4.500 ( -13.712 19.085 8.503) 24.991 4.573 ( -7.539 13.371 -1.557) 15.428 4.783 ( -9.807 9.945 -3.798) 14.474 4.878 ( -1.789 4.758 3.078) 5.943 5.013 ( -5.215 -0.509 5.192) 7.377 5.311 ( -3.295 -1.648 2.323) 4.356 6.133 ( -6.095 2.120 0.069) 6.453 6.245 ( -4.701 0.913 -2.273) 5.301 7.784 ( 6.430 -7.566 -1.999) 10.129 7.846 ( 6.738 -8.959 -2.944) 11.591 8.090 ( 6.562 -2.481 -5.998) 9.230 8.438 ( 8.115 -13.207 -10.636) 18.799 9.243 ( 0.438 -2.233 3.344) 4.045 9.323 ( 4.326 -5.006 2.915) 7.230 9.653 ( 1.161 1.771 2.650) 3.393 9.822 ( 2.727 -1.577 3.568) 4.759 10.696 ( 2.314 2.250 -0.219) 3.235 10.857 ( 4.108 -1.613 -3.213) 5.459 10.989 ( -4.271 2.854 1.862) 5.463 11.065 ( -5.557 -0.853 2.837) 6.297 11.537 ( -0.241 7.297 3.423) 8.063 11.724 ( -5.559 1.186 6.081) 8.324 12.071 ( 7.024 9.639 -4.213) 12.649 12.337 ( 2.999 4.577 -8.132) 9.802 13.450 ( -3.676 2.618 5.007) 6.740 13.849 ( 0.276 -1.207 -3.441) 3.657 13.955 ( -0.107 -5.888 6.292) 8.618 14.199 ( 4.266 0.614 -2.719) 5.096 14.482 ( -5.551 5.812 3.117) 8.620 14.767 ( -7.954 -4.671 2.365) 9.523 14.935 ( -1.932 4.823 1.626) 5.444 15.133 ( 4.904 -1.911 -7.907) 9.499======================= Grid point 278 (151/205) =======================q-point: (-0.11 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.693 ( -4.212 24.741 19.626) 31.860 3.161 ( -2.440 18.094 21.252) 28.018 3.947 ( 5.304 -14.262 15.967) 22.056 4.080 ( -6.492 -4.176 -3.161) 8.341 4.292 ( -7.447 7.275 3.822) 11.090 4.468 ( -4.870 18.395 6.124) 19.990 4.649 ( -1.901 11.093 -1.446) 11.347 4.787 ( -8.588 0.947 4.118) 9.571 5.003 ( 0.629 -1.281 0.523) 1.519 5.287 ( -0.682 -2.682 2.767) 3.913 5.966 ( -9.503 1.899 -4.042) 10.500 6.086 ( -8.066 0.520 -6.677) 10.484 7.885 ( 5.129 -6.735 -1.650) 8.625 7.957 ( 5.875 -8.415 -1.164) 10.329 8.154 ( 4.753 -1.798 -7.066) 8.703 8.453 ( 2.287 -10.784 -10.596) 15.291 9.313 ( 3.145 -1.596 5.146) 6.238 9.468 ( 6.528 -6.278 2.623) 9.429 9.728 ( 4.156 -0.836 5.109) 6.639 9.901 ( 1.514 -3.815 5.516) 6.876 10.737 ( 1.751 2.188 0.148) 2.806 10.883 ( -1.339 -1.948 -1.522) 2.811 10.944 ( 1.535 2.632 -1.639) 3.460 10.997 ( -3.010 0.461 0.701) 3.125 11.558 ( -0.401 5.967 4.054) 7.225 11.646 ( -7.031 2.051 6.022) 9.482 12.173 ( 6.022 8.116 -3.462) 10.683 12.323 ( 1.881 6.982 -7.253) 10.242 13.424 ( -2.956 2.549 5.391) 6.655 13.813 ( -1.196 0.681 -3.217) 3.499 13.990 ( -1.870 -6.572 6.980) 9.767 14.268 ( 4.984 1.384 -2.763) 5.865 14.414 ( -2.639 5.882 1.879) 6.715 14.617 ( -8.607 -5.761 1.378) 10.448 14.909 ( -2.108 5.346 1.946) 6.068 15.168 ( 4.660 -3.462 -7.869) 9.778======================= Grid point 279 (152/205) =======================q-point: ( 0.00 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.366 ( 7.318 22.738 16.399) 28.974 3.602 ( 1.753 7.648 14.285) 16.298 3.883 ( 6.235 -10.990 15.358) 19.888 3.939 ( 2.985 -8.377 10.206) 13.537 4.319 ( -3.229 7.715 -0.780) 8.400 4.498 ( -5.799 -8.205 1.050) 10.102 4.768 ( 0.320 10.302 -7.513) 12.754 4.922 ( 2.317 -4.309 -8.119) 9.479 5.001 ( 1.152 13.945 12.741) 18.924 5.239 ( 2.254 -8.726 9.046) 12.769 5.771 ( -12.798 3.808 -4.418) 14.064 5.829 ( -11.623 -1.901 -6.270) 13.343 7.875 ( 2.846 -1.245 -0.864) 3.224 7.910 ( 3.078 -4.763 -0.444) 5.688 8.154 ( 0.860 1.925 -8.776) 9.026 8.233 ( -0.192 -6.223 -9.293) 11.185 9.430 ( 4.453 1.670 3.200) 5.732 9.487 ( 4.269 -4.027 1.345) 6.020 9.826 ( 2.575 -0.094 4.882) 5.521 9.865 ( 0.841 -3.850 4.456) 5.949 10.793 ( -0.306 1.574 1.334) 2.086 10.820 ( -0.918 -1.197 0.894) 1.753 10.981 ( 0.078 1.650 -2.238) 2.782 10.999 ( 1.651 -0.122 -2.394) 2.911 11.603 ( -6.137 2.288 6.293) 9.083 11.624 ( -3.823 0.356 6.175) 7.271 12.365 ( 4.148 5.491 -6.087) 9.187 12.415 ( 4.317 0.990 -7.400) 8.624 13.524 ( -2.768 8.735 6.134) 11.027 13.716 ( -1.847 -9.132 3.323) 9.892 13.956 ( -3.833 6.590 1.917) 7.861 14.150 ( -3.528 -11.973 -0.758) 12.505 14.503 ( 1.958 2.469 1.338) 3.424 14.512 ( 1.210 1.574 0.884) 2.174 14.999 ( -0.242 5.969 -1.670) 6.203 15.103 ( 1.729 -4.784 -4.963) 7.107======================= Grid point 280 (153/205) =======================q-point: ( 0.11 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.661 ( 10.284 14.208 12.147) 21.335 3.746 ( 3.708 5.630 8.065) 10.512 3.977 ( 2.333 11.032 3.555) 11.823 4.204 ( 8.400 -13.391 15.543) 22.169 4.352 ( 4.134 0.630 1.315) 4.384 4.451 ( 0.020 -6.489 4.366) 7.821 4.745 ( 3.839 8.259 -9.598) 13.231 4.896 ( 2.836 -6.939 -13.875) 15.771 5.180 ( 4.771 13.418 16.259) 21.614 5.365 ( -0.094 -4.634 7.911) 9.169 5.497 ( -11.032 4.681 -0.660) 12.002 5.586 ( -6.392 -3.701 0.276) 7.391 7.893 ( -0.385 -0.913 -0.658) 1.189 7.934 ( -0.451 -5.034 -0.047) 5.055 8.068 ( -2.575 0.777 -8.671) 9.078 8.128 ( -3.279 -5.314 -9.116) 11.050 9.503 ( 1.536 0.630 -0.199) 1.672 9.537 ( 1.347 -2.832 -2.065) 3.755 9.884 ( 0.475 0.918 2.985) 3.159 9.942 ( 3.064 -5.137 3.036) 6.708 10.792 ( -0.716 1.548 1.003) 1.978 10.815 ( -0.699 -0.830 0.974) 1.458 10.973 ( 1.340 3.206 -1.893) 3.957 11.019 ( 2.339 -1.605 -2.032) 3.489 11.533 ( -6.059 4.103 6.411) 9.729 11.596 ( -4.278 -2.236 6.743) 8.293 12.377 ( 2.005 6.511 -6.366) 9.324 12.433 ( 3.107 1.168 -7.138) 7.872 13.520 ( -2.564 7.763 6.474) 10.429 13.704 ( -2.017 -8.923 3.572) 9.821 13.896 ( -3.769 5.459 2.410) 7.058 14.066 ( -4.036 -10.870 -0.296) 11.599 14.581 ( 4.740 2.492 1.127) 5.473 14.590 ( 5.006 1.406 2.135) 5.621 14.982 ( -0.153 6.419 -1.883) 6.691 15.094 ( 1.291 -5.262 -4.933) 7.327======================= Grid point 281 (154/205) =======================q-point: ( 0.22 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.844 ( 4.248 4.459 -2.616) 6.691 3.862 ( 3.071 3.112 3.816) 5.803 4.141 ( 8.371 16.162 11.183) 21.362 4.396 ( 3.188 -7.963 6.210) 10.589 4.458 ( 5.360 5.793 -3.114) 8.484 4.567 ( 6.396 -5.138 2.858) 8.687 4.712 ( -4.470 1.061 -12.421) 13.243 4.799 ( 1.711 -5.927 -5.791) 8.461 5.264 ( -2.378 3.786 4.678) 6.471 5.302 ( -3.758 -0.209 1.959) 4.243 5.533 ( 7.647 12.584 18.128) 23.356 5.717 ( 7.197 -6.165 14.066) 16.961 7.852 ( -3.224 -0.965 -1.582) 3.718 7.890 ( -3.801 -4.475 -1.549) 6.072 7.945 ( -2.954 -1.327 -6.581) 7.334 7.980 ( -4.271 -4.695 -8.932) 10.957 9.489 ( -1.250 -0.083 -3.498) 3.715 9.517 ( -0.481 -2.898 -4.811) 5.637 9.897 ( -0.595 3.631 0.339) 3.695 9.991 ( 0.639 -6.053 -0.439) 6.103 10.772 ( -1.444 1.481 -1.203) 2.393 10.791 ( -1.833 -0.302 -0.937) 2.081 11.028 ( 4.392 3.010 1.733) 5.599 11.072 ( 3.745 -1.561 1.138) 4.214 11.470 ( -5.266 5.252 6.163) 9.659 11.561 ( -4.578 -3.985 6.745) 9.074 12.348 ( 0.101 7.750 -6.134) 9.884 12.423 ( 1.552 0.425 -7.261) 7.437 13.525 ( -1.881 6.375 6.009) 8.961 13.693 ( -2.129 -9.537 4.102) 10.598 13.854 ( -2.069 5.457 1.897) 6.136 14.002 ( -2.331 -9.265 -0.145) 9.555 14.694 ( 4.745 2.750 3.133) 6.316 14.714 ( 5.051 0.754 3.586) 6.240 14.966 ( 0.471 6.528 -2.767) 7.106 15.079 ( 1.238 -5.197 -5.164) 7.430======================= Grid point 282 (155/205) =======================q-point: ( 0.33 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.868 ( -2.987 2.913 0.647) 4.222 3.888 ( 3.414 1.045 -5.695) 6.721 4.280 ( -6.677 1.931 -16.508) 17.911 4.306 ( -9.554 0.067 -15.023) 17.803 4.434 ( 3.815 12.549 6.385) 14.588 4.625 ( 6.460 -2.500 10.725) 12.767 4.759 ( 5.206 3.652 8.396) 10.532 4.921 ( 5.897 -8.820 8.472) 13.578 5.304 ( 3.037 3.377 2.791) 5.331 5.324 ( 1.364 1.180 4.382) 4.738 5.842 ( 8.875 9.067 16.833) 21.080 5.967 ( 6.753 -3.661 13.870) 15.855 7.728 ( -5.562 -1.105 -5.633) 7.993 7.770 ( -5.315 -5.243 -5.742) 9.419 7.872 ( -1.294 -3.174 -2.968) 4.534 7.874 ( -0.366 -3.216 -5.223) 6.144 9.417 ( -2.213 0.472 -5.387) 5.843 9.456 ( -1.225 -3.410 -6.213) 7.192 9.861 ( -2.391 4.462 -2.192) 5.517 9.957 ( -2.285 -5.352 -3.998) 7.060 10.726 ( -1.677 1.208 -1.949) 2.841 10.742 ( -1.559 -0.298 -2.257) 2.759 11.147 ( 4.363 2.242 4.856) 6.903 11.174 ( 3.601 -0.411 5.072) 6.234 11.431 ( -2.641 5.532 4.883) 7.837 11.531 ( -2.958 -4.540 5.714) 7.875 12.293 ( -1.000 8.433 -5.593) 10.169 12.386 ( 0.557 -0.664 -7.379) 7.430 13.537 ( -1.322 5.297 5.280) 7.595 13.684 ( -2.063 -9.228 4.137) 10.322 13.846 ( -0.149 5.053 1.266) 5.212 13.973 ( -0.578 -8.063 -0.123) 8.085 14.786 ( 0.786 3.663 5.099) 6.327 14.825 ( 2.613 -0.263 5.053) 5.695 14.967 ( 2.620 6.000 -3.994) 7.669 15.069 ( 2.098 -4.534 -5.378) 7.340======================= Grid point 283 (156/205) =======================q-point: (-0.56 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.766 ( -8.396 8.445 0.379) 11.914 3.890 ( -1.904 -2.178 -6.471) 7.088 3.920 ( -11.251 1.366 -9.386) 14.716 3.976 ( -10.867 -4.646 -14.588) 18.774 4.629 ( 6.300 11.679 8.436) 15.724 4.803 ( 3.908 -6.135 6.215) 9.567 4.921 ( 3.360 9.514 11.325) 15.168 5.081 ( 2.830 -6.546 8.642) 11.205 5.362 ( -1.366 3.183 4.420) 5.616 5.381 ( 1.573 1.660 2.656) 3.505 6.100 ( 5.523 5.573 12.803) 15.017 6.168 ( 3.805 -1.394 11.223) 11.932 7.594 ( -3.133 -1.653 -5.912) 6.892 7.634 ( -3.042 -5.733 -6.628) 9.277 7.849 ( 1.712 -2.039 -3.517) 4.411 7.873 ( 3.950 -4.413 -4.596) 7.497 9.336 ( -1.792 1.069 -5.233) 5.634 9.381 ( -1.583 -3.543 -6.069) 7.203 9.780 ( -3.382 3.960 -3.343) 6.188 9.857 ( -3.605 -3.892 -5.615) 7.725 10.688 ( -0.763 1.317 -1.458) 2.108 10.711 ( 0.367 -0.991 -2.359) 2.585 11.219 ( -2.486 2.574 7.347) 8.173 11.250 ( -1.799 -0.575 7.914) 8.136 11.468 ( 3.549 5.410 2.779) 7.041 11.559 ( 2.601 -3.866 3.553) 5.860 12.231 ( -0.942 8.783 -5.203) 10.252 12.341 ( 0.951 -1.989 -7.604) 7.917 13.552 ( -1.127 4.759 4.717) 6.795 13.679 ( -1.403 -8.171 3.675) 9.069 13.864 ( 1.095 4.273 0.814) 4.486 13.977 ( 1.124 -7.107 -0.394) 7.206 14.796 ( -2.944 5.296 4.182) 7.362 14.873 ( -1.569 -2.742 4.824) 5.766 15.008 ( 3.719 4.964 -2.844) 6.824 15.082 ( 2.791 -2.802 -4.310) 5.849======================= Grid point 284 (157/205) =======================q-point: (-0.44 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.501 ( -15.265 10.343 -1.465) 18.497 3.670 ( -9.062 7.830 0.201) 11.978 3.683 ( -10.238 -5.582 -5.061) 12.711 3.872 ( -1.573 -10.320 -1.611) 10.563 4.784 ( 4.044 7.656 5.340) 10.172 4.875 ( 0.966 -1.884 1.291) 2.479 5.022 ( -2.484 8.843 11.021) 14.347 5.139 ( -3.001 -2.958 6.558) 7.795 5.324 ( -6.143 4.837 4.367) 8.956 5.389 ( -3.049 -1.320 2.969) 4.456 6.240 ( 0.463 3.618 8.874) 9.594 6.282 ( 0.532 -0.511 7.898) 7.933 7.535 ( 1.651 -2.101 -4.984) 5.655 7.570 ( 1.627 -5.637 -5.805) 8.254 7.889 ( 5.639 -0.002 -4.773) 7.388 7.954 ( 8.222 -6.604 -5.586) 11.934 9.269 ( -1.718 0.608 -3.560) 3.999 9.302 ( -2.269 -2.795 -4.667) 5.894 9.702 ( -1.930 3.233 -2.109) 4.316 9.761 ( -1.895 -2.669 -3.925) 5.111 10.679 ( 0.876 2.036 -1.100) 2.475 10.719 ( 2.150 -2.030 -2.125) 3.641 11.184 ( -5.828 2.847 6.629) 9.274 11.225 ( -6.153 -1.282 7.321) 9.649 11.573 ( 3.860 5.762 3.092) 7.594 11.660 ( 3.875 -3.147 3.475) 6.082 12.186 ( 0.822 9.306 -5.577) 10.881 12.315 ( 2.729 -3.490 -8.053) 9.191 13.563 ( -1.377 4.958 4.415) 6.780 13.687 ( -0.560 -7.767 3.377) 8.488 13.898 ( 2.048 4.373 0.234) 4.834 14.010 ( 2.832 -6.461 -0.953) 7.118 14.751 ( -4.569 5.817 3.578) 8.216 14.850 ( -4.053 -4.598 3.958) 7.296 15.045 ( 1.762 4.238 -1.905) 4.969 15.099 ( 1.833 -1.361 -3.526) 4.201======================= Grid point 285 (158/205) =======================q-point: (-0.33 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.246 ( -12.956 13.739 7.700) 20.394 3.499 ( -7.156 -10.694 3.762) 13.406 3.530 ( -8.275 14.010 6.232) 17.424 3.825 ( -2.763 -14.935 1.459) 15.258 4.847 ( -1.239 4.745 0.019) 4.904 4.872 ( -1.879 2.168 1.960) 3.475 4.994 ( -6.346 8.489 6.885) 12.638 5.077 ( -6.359 -0.423 2.828) 6.972 5.193 ( -10.164 6.505 3.914) 12.686 5.318 ( -6.360 -4.883 3.685) 8.825 6.263 ( -3.425 3.340 5.199) 7.065 6.309 ( -2.631 -1.051 4.195) 5.062 7.578 ( 5.768 -2.321 -3.613) 7.191 7.606 ( 5.720 -5.127 -4.338) 8.822 7.986 ( 8.214 2.088 -6.136) 10.463 8.090 ( 10.276 -8.675 -7.149) 15.230 9.219 ( -1.382 -0.164 -0.745) 1.578 9.237 ( -1.340 -2.003 -1.627) 2.908 9.680 ( 0.122 3.030 0.509) 3.075 9.735 ( 0.772 -2.433 -0.216) 2.561 10.703 ( 2.218 2.668 -0.837) 3.569 10.757 ( 3.217 -2.790 -2.022) 4.714 11.111 ( -5.859 2.344 4.624) 7.823 11.144 ( -6.785 -1.063 5.225) 8.630 11.643 ( 0.619 6.063 3.874) 7.221 11.730 ( -0.267 -2.811 4.811) 5.579 12.188 ( 4.204 9.311 -6.526) 12.123 12.323 ( 4.403 -4.140 -8.441) 10.381 13.563 ( -2.108 6.017 4.315) 7.698 13.705 ( -0.408 -8.476 3.360) 9.127 13.945 ( 2.764 5.483 -0.446) 6.156 14.069 ( 4.090 -6.194 -1.601) 7.593 14.677 ( -6.004 5.514 3.734) 8.967 14.779 ( -6.440 -5.427 3.992) 9.320 15.048 ( 0.248 4.164 -1.940) 4.601 15.100 ( 1.503 -1.247 -4.157) 4.593======================= Grid point 286 (159/205) =======================q-point: (-0.22 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.127 ( -8.427 19.186 15.752) 26.215 3.442 ( -4.733 7.538 10.185) 13.526 3.493 ( -2.375 -6.241 13.691) 15.232 3.803 ( -1.514 -17.416 4.601) 18.077 4.725 ( -10.189 7.628 -1.803) 12.855 4.787 ( -8.078 3.016 2.597) 9.006 4.940 ( -3.651 3.681 0.985) 5.277 4.981 ( -2.040 1.040 -2.844) 3.651 5.023 ( -9.646 9.688 5.266) 14.650 5.224 ( -5.984 -7.766 4.672) 10.860 6.190 ( -6.642 3.394 1.103) 7.540 6.241 ( -6.004 -1.542 -0.022) 6.199 7.685 ( 7.071 -2.237 -2.363) 7.783 7.709 ( 7.200 -4.659 -2.697) 8.990 8.096 ( 8.023 3.270 -7.534) 11.481 8.217 ( 8.522 -9.246 -8.907) 15.409 9.222 ( 1.261 0.096 2.731) 3.010 9.249 ( 2.506 -2.693 2.514) 4.455 9.703 ( 0.747 3.351 2.728) 4.385 9.771 ( 1.394 -3.411 2.925) 4.704 10.745 ( 2.423 2.870 -0.422) 3.780 10.805 ( 2.912 -3.236 -1.666) 4.661 11.037 ( -4.320 1.870 2.163) 5.181 11.058 ( -4.802 -0.410 2.807) 5.577 11.661 ( -1.878 5.146 4.545) 7.117 11.725 ( -4.037 -1.466 5.722) 7.155 12.242 ( 6.161 7.761 -6.569) 11.888 12.351 ( 4.940 -2.969 -8.388) 10.177 13.549 ( -2.663 7.465 4.546) 9.137 13.718 ( -0.884 -9.495 3.363) 10.111 13.990 ( 1.956 6.905 -0.620) 7.203 14.137 ( 4.139 -6.735 -2.082) 8.175 14.581 ( -6.378 4.492 3.412) 8.515 14.665 ( -8.086 -4.768 3.616) 10.059 15.033 ( -0.127 4.614 -1.920) 4.999 15.100 ( 2.038 -2.304 -4.859) 5.751======================= Grid point 287 (160/205) =======================q-point: (-0.11 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.166 ( -0.881 23.864 18.363) 30.124 3.481 ( -0.945 10.337 14.056) 17.474 3.633 ( 3.343 -13.147 19.183) 23.495 3.844 ( 0.975 -15.915 7.223) 17.504 4.485 ( -11.128 10.447 -2.435) 15.457 4.634 ( -8.254 -3.156 0.357) 8.844 4.845 ( -3.792 6.548 -3.476) 8.327 4.932 ( -2.262 11.423 3.435) 12.140 4.959 ( -0.731 0.304 -0.455) 0.913 5.180 ( -2.306 -8.919 6.230) 11.121 6.022 ( -9.972 3.468 -2.684) 10.894 6.076 ( -9.328 -1.762 -4.019) 10.309 7.798 ( 5.790 -1.795 -1.448) 6.232 7.826 ( 6.055 -4.571 -1.318) 7.700 8.164 ( 4.986 3.006 -8.528) 10.326 8.270 ( 4.070 -7.873 -9.598) 13.064 9.308 ( 4.305 1.197 4.566) 6.388 9.361 ( 5.722 -4.370 3.940) 8.208 9.749 ( 1.387 2.725 4.305) 5.281 9.821 ( 0.614 -4.314 4.449) 6.228 10.780 ( 1.058 2.374 0.402) 2.630 10.830 ( 0.235 -2.817 -0.346) 2.848 10.991 ( -0.688 1.807 -0.639) 2.036 11.008 ( -1.602 0.048 0.039) 1.604 11.648 ( -3.194 3.084 5.273) 6.893 11.673 ( -5.683 0.322 6.096) 8.340 12.313 ( 5.799 6.022 -6.056) 10.324 12.384 ( 4.841 -0.735 -7.949) 9.336 13.534 ( -2.742 8.582 5.248) 10.426 13.722 ( -1.389 -9.757 3.363) 10.413 13.999 ( -1.139 7.599 0.396) 7.694 14.182 ( 1.533 -9.355 -1.888) 9.666 14.503 ( -3.229 3.231 2.153) 5.051 14.544 ( -5.750 -1.812 2.430) 6.500 15.016 ( -0.158 5.319 -1.775) 5.610 15.103 ( 2.134 -3.718 -5.027) 6.606======================= Grid point 324 (161/205) =======================q-point: ( 0.00 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.564 ( 9.212 0.000 24.744) 26.404 2.754 ( -6.737 0.000 25.618) 26.490 3.056 ( -8.269 0.000 -18.091) 19.891 3.312 ( 6.016 0.000 -23.496) 24.254 4.583 ( 2.242 0.000 33.534) 33.609 4.699 ( -0.487 0.000 4.843) 4.867 4.765 ( -1.758 0.000 -0.017) 1.758 5.071 ( 0.452 0.000 -8.290) 8.302 5.134 ( 5.226 0.000 12.291) 13.356 5.280 ( 2.033 0.000 -1.013) 2.271 5.459 ( -1.444 0.000 -10.661) 10.758 5.520 ( -11.529 0.000 -12.372) 16.911 8.225 ( 0.589 0.000 0.115) 0.601 8.254 ( 0.817 0.000 -2.475) 2.606 8.463 ( 1.481 0.000 4.722) 4.948 8.591 ( -1.691 0.000 -7.707) 7.890 9.618 ( 0.840 0.000 2.345) 2.491 9.654 ( 1.327 0.000 -0.903) 1.605 10.154 ( -0.780 0.000 9.470) 9.502 10.345 ( 4.402 0.000 -8.720) 9.768 10.673 ( 2.677 0.000 1.062) 2.880 10.709 ( -2.524 0.000 -2.384) 3.472 10.887 ( -3.624 0.000 3.268) 4.879 10.961 ( 3.895 0.000 -4.015) 5.594 11.417 ( 7.287 0.000 0.925) 7.345 11.439 ( -8.063 0.000 -1.315) 8.170 11.863 ( -3.625 0.000 5.117) 6.272 11.943 ( 3.199 0.000 -2.340) 3.964 13.639 ( -3.482 0.000 6.733) 7.580 13.792 ( 4.701 0.000 -8.098) 9.364 13.894 ( -8.286 0.000 2.606) 8.686 13.942 ( 6.933 0.000 -1.832) 7.171 14.427 ( 1.351 0.000 6.635) 6.772 14.549 ( -1.878 0.000 -5.335) 5.655 14.987 ( -5.882 0.000 10.983) 12.459 15.210 ( 5.390 0.000 -10.746) 12.022======================= Grid point 325 (162/205) =======================q-point: ( 0.11 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.869 ( 8.419 0.000 -2.696) 8.841 2.966 ( 4.144 0.000 7.316) 8.408 3.060 ( 21.715 0.000 16.548) 27.302 3.332 ( 14.330 0.000 -18.749) 23.598 4.632 ( -9.053 0.000 2.798) 9.476 4.663 ( -7.770 0.000 5.159) 9.327 4.908 ( -0.964 0.000 -21.057) 21.079 4.932 ( 4.610 0.000 19.261) 19.805 5.181 ( -6.364 0.000 -10.651) 12.407 5.240 ( 0.118 0.000 1.970) 1.974 5.350 ( -0.587 0.000 5.637) 5.668 5.581 ( 9.865 0.000 11.182) 14.912 8.227 ( -0.185 0.000 -0.337) 0.384 8.233 ( -0.862 0.000 -2.911) 3.036 8.487 ( -3.340 0.000 -6.556) 7.358 8.504 ( -1.482 0.000 5.784) 5.970 9.637 ( 0.188 0.000 -0.168) 0.252 9.654 ( 0.412 0.000 -3.488) 3.513 10.128 ( -8.360 0.000 5.529) 10.023 10.273 ( -2.649 0.000 -11.880) 12.172 10.658 ( -1.005 0.000 -2.097) 2.326 10.748 ( 3.610 0.000 1.625) 3.959 10.863 ( -1.021 0.000 2.797) 2.978 11.023 ( 5.229 0.000 -3.592) 6.344 11.285 ( -6.779 0.000 0.378) 6.789 11.559 ( 5.867 0.000 1.228) 5.994 11.807 ( -5.956 0.000 4.186) 7.280 11.954 ( 0.342 0.000 -2.823) 2.844 13.621 ( -3.380 0.000 6.002) 6.888 13.807 ( -3.077 0.000 3.785) 4.878 13.818 ( 4.516 0.000 -8.750) 9.847 14.104 ( 10.480 0.000 -1.040) 10.532 14.475 ( -1.428 0.000 -5.067) 5.264 14.496 ( 0.234 0.000 6.439) 6.444 14.957 ( -5.525 0.000 11.256) 12.539 15.217 ( 3.440 0.000 -10.410) 10.964======================= Grid point 326 (163/205) =======================q-point: ( 0.22 0.00 -0.56)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.082 ( 22.207 0.000 -20.247) 30.052 3.220 ( 7.658 0.000 23.123) 24.359 3.392 ( 17.626 0.000 -18.230) 25.358 3.755 ( 24.234 0.000 15.066) 28.535 4.376 ( -17.150 0.000 -2.464) 17.326 4.476 ( -12.386 0.000 0.227) 12.388 4.771 ( 0.643 0.000 -14.166) 14.180 4.868 ( -5.369 0.000 -8.953) 10.440 5.234 ( 3.320 0.000 1.357) 3.587 5.279 ( 2.832 0.000 1.123) 3.047 5.476 ( 3.895 0.000 23.139) 23.464 5.854 ( 8.553 0.000 10.844) 13.811 8.177 ( -2.489 0.000 -2.810) 3.754 8.217 ( -0.057 0.000 -1.754) 1.755 8.370 ( -3.680 0.000 -5.462) 6.586 8.494 ( -4.283 0.000 6.780) 8.019 9.622 ( -0.179 0.000 -5.124) 5.127 9.624 ( -0.476 0.000 -2.477) 2.522 9.924 ( -13.823 0.000 0.013) 13.823 10.098 ( -5.303 0.000 -12.138) 13.246 10.637 ( 0.276 0.000 -1.588) 1.611 10.794 ( -0.395 0.000 0.991) 1.067 10.916 ( 4.530 0.000 2.356) 5.107 11.099 ( 5.256 0.000 -3.372) 6.245 11.203 ( -3.203 0.000 3.741) 4.925 11.637 ( -0.921 0.000 1.493) 1.755 11.715 ( -3.668 0.000 2.070) 4.211 11.925 ( -1.149 0.000 -2.119) 2.411 13.606 ( -2.646 0.000 5.705) 6.288 13.827 ( 1.389 0.000 4.944) 5.135 13.832 ( 4.079 0.000 -9.472) 10.313 14.305 ( 9.909 0.000 -1.317) 9.996 14.423 ( 0.229 0.000 -4.397) 4.403 14.523 ( -2.632 0.000 6.738) 7.234 14.954 ( -3.354 0.000 10.441) 10.966 15.183 ( 1.264 0.000 -9.919) 9.999======================= Grid point 327 (164/205) =======================q-point: ( 0.33 0.00 -0.56)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.348 ( 19.799 0.000 -20.431) 28.450 3.574 ( 10.497 0.000 21.606) 24.021 3.607 ( 17.515 0.000 -16.128) 23.810 3.988 ( -18.279 0.000 -3.946) 18.700 4.221 ( -15.692 0.000 4.720) 16.386 4.281 ( 16.290 0.000 15.588) 22.546 4.711 ( -5.297 0.000 -6.759) 8.588 4.723 ( 4.558 0.000 -10.421) 11.374 5.238 ( -1.297 0.000 -0.885) 1.570 5.345 ( 2.928 0.000 -0.382) 2.953 5.768 ( 6.909 0.000 20.361) 21.502 6.061 ( 5.695 0.000 6.986) 9.013 8.101 ( -3.134 0.000 -1.993) 3.714 8.184 ( -1.119 0.000 -5.622) 5.732 8.294 ( 0.254 0.000 -2.300) 2.314 8.446 ( -5.946 0.000 6.766) 9.008 9.576 ( -0.443 0.000 -5.328) 5.347 9.582 ( -1.449 0.000 -3.384) 3.681 9.655 ( -11.287 0.000 -2.108) 11.482 9.898 ( -5.853 0.000 -11.553) 12.951 10.644 ( 1.338 0.000 -0.584) 1.460 10.776 ( -1.476 0.000 -0.078) 1.478 11.035 ( 5.335 0.000 1.928) 5.673 11.169 ( 4.185 0.000 -2.866) 5.073 11.202 ( -1.324 0.000 6.266) 6.404 11.537 ( -6.137 0.000 -1.015) 6.220 11.729 ( 0.712 0.000 2.302) 2.410 11.882 ( -1.841 0.000 -1.354) 2.285 13.607 ( -1.915 0.000 6.071) 6.366 13.832 ( 3.525 0.000 -9.917) 10.525 13.922 ( 3.736 0.000 5.801) 6.900 14.349 ( -0.755 0.000 -4.573) 4.635 14.505 ( 7.948 0.000 -2.436) 8.313 14.506 ( -4.290 0.000 7.372) 8.529 14.976 ( -2.447 0.000 8.896) 9.227 15.128 ( 1.015 0.000 -8.857) 8.915======================= Grid point 328 (165/205) =======================q-point: ( 0.44 0.00 -0.56)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.529 ( 14.345 0.000 -16.553) 21.904 3.545 ( -19.555 0.000 5.150) 20.221 3.840 ( -10.884 0.000 15.608) 19.028 3.905 ( 17.084 0.000 -15.340) 22.960 4.027 ( 0.900 0.000 13.959) 13.988 4.531 ( -5.577 0.000 -8.318) 10.015 4.584 ( 1.197 0.000 11.978) 12.038 4.775 ( 6.772 0.000 -8.089) 10.550 5.216 ( -1.377 0.000 4.227) 4.445 5.358 ( -1.172 0.000 -1.955) 2.279 6.015 ( 5.301 0.000 12.020) 13.137 6.176 ( 2.599 0.000 1.770) 3.144 8.041 ( -1.800 0.000 -0.423) 1.849 8.110 ( -1.019 0.000 -5.690) 5.781 8.346 ( 6.747 0.000 -3.107) 7.428 8.371 ( -5.987 0.000 4.428) 7.447 9.490 ( -3.089 0.000 -0.141) 3.092 9.523 ( -2.223 0.000 -2.041) 3.018 9.549 ( -0.067 0.000 -2.795) 2.796 9.704 ( -5.172 0.000 -10.114) 11.360 10.677 ( 1.840 0.000 0.681) 1.962 10.740 ( -1.872 0.000 -0.736) 2.012 11.132 ( 2.363 0.000 2.208) 3.234 11.205 ( 1.007 0.000 -2.031) 2.267 11.241 ( 0.680 0.000 6.540) 6.576 11.429 ( -2.824 0.000 -3.757) 4.700 11.761 ( 0.997 0.000 2.229) 2.442 11.838 ( -1.542 0.000 -1.351) 2.050 13.621 ( -1.805 0.000 6.767) 7.003 13.817 ( 2.862 0.000 -10.045) 10.444 14.047 ( 4.045 0.000 6.382) 7.556 14.277 ( -3.116 0.000 -4.608) 5.562 14.482 ( -3.939 0.000 7.644) 8.599 14.602 ( 5.127 0.000 -5.323) 7.390 14.983 ( -3.362 0.000 7.589) 8.300 15.105 ( 2.891 0.000 -6.997) 7.570======================= Grid point 329 (166/205) =======================q-point: (-0.44 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.219 ( -20.713 0.000 13.242) 24.584 3.550 ( -24.222 0.000 16.757) 29.453 3.696 ( 13.458 0.000 -8.230) 15.775 4.083 ( 6.192 0.000 -6.003) 8.624 4.298 ( 8.847 0.000 13.407) 16.064 4.313 ( -6.096 0.000 -12.893) 14.262 4.610 ( -3.541 0.000 5.870) 6.855 4.792 ( -0.930 0.000 -7.586) 7.643 5.249 ( -1.459 0.000 8.800) 8.920 5.278 ( -4.570 0.000 -1.395) 4.778 6.146 ( 1.669 0.000 4.503) 4.803 6.187 ( -0.372 0.000 -4.554) 4.569 8.036 ( 0.962 0.000 1.438) 1.730 8.076 ( 1.334 0.000 -3.862) 4.086 8.299 ( -3.152 0.000 1.291) 3.406 8.493 ( 11.592 0.000 -6.936) 13.508 9.476 ( -1.805 0.000 0.825) 1.984 9.496 ( 1.362 0.000 1.336) 1.908 9.563 ( 2.648 0.000 2.973) 3.982 9.571 ( -1.433 0.000 -5.403) 5.590 10.692 ( -2.320 0.000 -0.934) 2.501 10.721 ( 1.844 0.000 1.272) 2.240 11.146 ( -2.929 0.000 3.880) 4.861 11.168 ( -3.102 0.000 -1.599) 3.490 11.341 ( 5.067 0.000 4.458) 6.749 11.369 ( -0.128 0.000 -5.385) 5.386 11.805 ( -0.625 0.000 -1.844) 1.947 11.806 ( 2.075 0.000 1.494) 2.557 13.637 ( -2.191 0.000 7.441) 7.756 13.791 ( 2.296 0.000 -9.790) 10.056 14.161 ( -4.967 0.000 -4.581) 6.757 14.162 ( 2.493 0.000 6.515) 6.975 14.469 ( -3.495 0.000 6.986) 7.811 14.639 ( 4.074 0.000 -7.177) 8.253 14.964 ( -4.096 0.000 7.232) 8.311 15.122 ( 3.730 0.000 -6.368) 7.380======================= Grid point 330 (167/205) =======================q-point: (-0.33 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.929 ( -23.077 0.000 19.841) 30.433 3.214 ( -24.732 0.000 20.997) 32.443 3.941 ( 14.851 0.000 0.309) 14.854 3.951 ( -9.611 0.000 -10.487) 14.225 4.171 ( -7.663 0.000 7.072) 10.428 4.493 ( -3.965 0.000 2.202) 4.535 4.598 ( -5.974 0.000 -2.548) 6.495 4.650 ( 7.219 0.000 -4.521) 8.518 5.213 ( -2.198 0.000 1.958) 2.944 5.263 ( -3.807 0.000 8.046) 8.901 6.094 ( -2.874 0.000 -11.341) 11.700 6.149 ( -2.346 0.000 -1.675) 2.883 8.094 ( 3.159 0.000 2.663) 4.131 8.099 ( 3.041 0.000 -1.893) 3.582 8.278 ( 0.533 0.000 -0.438) 0.690 8.644 ( 10.379 0.000 -12.307) 16.099 9.475 ( -0.455 0.000 4.154) 4.179 9.527 ( 0.982 0.000 1.819) 2.067 9.611 ( 8.098 0.000 1.675) 8.270 9.698 ( 5.792 0.000 7.814) 9.726 10.644 ( -1.774 0.000 -0.668) 1.895 10.765 ( 1.865 0.000 0.966) 2.101 11.076 ( -4.603 0.000 -2.087) 5.054 11.095 ( -5.220 0.000 4.315) 6.772 11.328 ( 0.041 0.000 -5.572) 5.572 11.498 ( 8.003 0.000 2.838) 8.491 11.777 ( -1.058 0.000 -2.111) 2.361 11.853 ( 1.459 0.000 1.210) 1.896 13.648 ( -2.648 0.000 7.825) 8.261 13.762 ( 2.342 0.000 -9.135) 9.430 14.028 ( -4.944 0.000 -4.274) 6.536 14.239 ( 0.495 0.000 6.277) 6.297 14.426 ( -6.391 0.000 4.810) 7.999 14.659 ( 3.487 0.000 -7.151) 7.956 14.955 ( -2.644 0.000 8.376) 8.783 15.142 ( 3.764 0.000 -7.597) 8.478======================= Grid point 331 (168/205) =======================q-point: (-0.22 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.617 ( -25.164 0.000 23.563) 34.473 2.933 ( -21.648 0.000 24.587) 32.759 3.674 ( -6.524 0.000 -18.586) 19.697 4.055 ( -22.833 0.000 -12.359) 25.963 4.143 ( -6.804 0.000 25.506) 26.398 4.272 ( 14.680 0.000 6.057) 15.880 4.696 ( 3.180 0.000 7.984) 8.594 4.757 ( 6.639 0.000 -6.070) 8.995 5.198 ( -2.029 0.000 3.457) 4.008 5.241 ( -2.906 0.000 5.037) 5.815 5.910 ( -4.615 0.000 -17.237) 17.844 6.035 ( -6.042 0.000 -6.774) 9.077 8.152 ( 3.055 0.000 -0.514) 3.098 8.181 ( 3.447 0.000 1.770) 3.874 8.309 ( 2.728 0.000 0.297) 2.744 8.694 ( 5.190 0.000 -12.909) 13.914 9.514 ( 0.733 0.000 5.054) 5.107 9.568 ( 1.463 0.000 2.776) 3.138 9.877 ( 5.601 0.000 9.249) 10.813 9.888 ( 16.347 0.000 3.556) 16.729 10.621 ( -0.257 0.000 -0.153) 0.300 10.802 ( 1.063 0.000 0.163) 1.075 10.975 ( -3.146 0.000 -3.153) 4.454 11.020 ( -5.665 0.000 4.277) 7.098 11.290 ( 0.423 0.000 -4.435) 4.455 11.663 ( 4.610 0.000 -0.385) 4.626 11.738 ( 0.921 0.000 -0.539) 1.067 11.877 ( -0.324 0.000 2.252) 2.275 13.653 ( -2.972 0.000 7.798) 8.345 13.749 ( 3.295 0.000 -8.378) 9.003 13.919 ( -2.821 0.000 -3.629) 4.596 14.262 ( -6.484 0.000 2.797) 7.061 14.313 ( -4.120 0.000 6.227) 7.466 14.658 ( 1.568 0.000 -6.294) 6.486 14.984 ( -1.992 0.000 9.566) 9.772 15.157 ( 4.632 0.000 -9.447) 10.521======================= Grid point 332 (169/205) =======================q-point: (-0.11 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.406 ( -13.252 0.000 26.124) 29.292 2.768 ( -15.379 0.000 26.869) 30.959 3.440 ( -0.986 0.000 -22.293) 22.315 3.493 ( -21.385 0.000 -16.332) 26.909 4.299 ( -0.921 0.000 33.520) 33.533 4.585 ( 9.636 0.000 6.116) 11.413 4.794 ( 1.003 0.000 -3.225) 3.378 4.841 ( 6.130 0.000 11.728) 13.233 5.171 ( -3.137 0.000 1.727) 3.581 5.245 ( 0.777 0.000 1.486) 1.677 5.668 ( -5.162 0.000 -19.854) 20.514 5.817 ( -9.341 0.000 -10.839) 14.309 8.200 ( 1.930 0.000 0.095) 1.933 8.239 ( 2.210 0.000 -1.117) 2.476 8.383 ( 3.198 0.000 3.161) 4.497 8.665 ( 1.135 0.000 -10.049) 10.113 9.572 ( 1.225 0.000 4.283) 4.455 9.619 ( 1.805 0.000 1.663) 2.454 10.044 ( 3.717 0.000 10.065) 10.730 10.207 ( 13.868 0.000 -1.990) 14.010 10.631 ( 1.186 0.000 0.394) 1.250 10.781 ( -2.701 0.000 -1.541) 3.109 10.935 ( 1.852 0.000 -4.095) 4.494 10.946 ( -5.098 0.000 3.891) 6.413 11.302 ( 3.773 0.000 -1.262) 3.978 11.593 ( -6.089 0.000 -1.959) 6.396 11.858 ( 6.675 0.000 -0.609) 6.702 11.879 ( -1.884 0.000 4.104) 4.515 13.651 ( -3.257 0.000 7.388) 8.074 13.763 ( 4.494 0.000 -7.994) 9.170 13.877 ( 1.432 0.000 -2.723) 3.077 14.073 ( -11.280 0.000 1.893) 11.438 14.355 ( 0.633 0.000 6.802) 6.832 14.619 ( -0.832 0.000 -5.616) 5.678 15.004 ( -4.003 0.000 10.283) 11.035 15.181 ( 5.733 0.000 -10.609) 12.060======================= Grid point 333 (170/205) =======================q-point: ( 0.00 0.11 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.645 ( 9.756 9.094 24.012) 27.468 2.944 ( -5.660 17.446 20.817) 27.744 3.120 ( -8.376 7.037 -15.658) 19.101 3.450 ( 5.153 13.269 -21.788) 26.026 4.581 ( 0.789 0.501 22.417) 22.437 4.712 ( 1.532 -3.042 1.304) 3.647 4.756 ( -1.407 3.277 12.641) 13.134 5.081 ( 3.027 -5.158 10.798) 12.344 5.109 ( 1.257 1.847 -4.048) 4.624 5.275 ( 2.542 0.106 -4.772) 5.408 5.469 ( -3.054 1.061 -9.012) 9.575 5.529 ( -10.120 1.365 -11.280) 15.216 8.180 ( 0.704 -4.457 0.313) 4.523 8.213 ( 0.717 -3.959 -2.757) 4.877 8.406 ( 1.579 -5.674 4.538) 7.435 8.533 ( -1.637 -5.842 -7.683) 9.790 9.595 ( 0.857 -2.208 2.955) 3.787 9.642 ( 1.434 -1.381 -1.620) 2.566 10.132 ( -0.646 -2.373 8.329) 8.684 10.290 ( 4.218 -5.474 -6.393) 9.414 10.692 ( 2.676 1.858 0.777) 3.349 10.723 ( -2.655 1.561 -1.963) 3.653 10.892 ( -3.295 0.569 2.209) 4.007 10.951 ( 3.425 -0.908 -3.514) 4.991 11.459 ( 6.715 4.179 1.125) 7.989 11.475 ( -7.835 3.410 -0.309) 8.551 11.916 ( -3.419 5.226 3.590) 7.204 11.979 ( 3.333 3.720 -2.191) 5.454 13.597 ( -2.147 -3.368 6.077) 7.272 13.721 ( 0.857 -4.220 -5.517) 6.999 13.998 ( -4.844 7.240 0.654) 8.735 14.022 ( 5.789 7.423 -1.536) 9.538 14.439 ( 2.207 0.929 6.232) 6.676 14.551 ( -2.735 0.003 -4.802) 5.527 14.965 ( -5.589 -1.979 10.103) 11.714 15.174 ( 5.247 -3.443 -10.292) 12.054======================= Grid point 334 (171/205) =======================q-point: ( 0.11 0.11 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.944 ( 9.482 6.717 -18.976) 22.252 3.107 ( 6.052 14.738 21.584) 26.828 3.157 ( 17.546 9.894 18.089) 27.073 3.455 ( 12.353 11.793 -19.771) 26.126 4.542 ( -9.540 -4.185 2.399) 10.690 4.749 ( -1.747 2.771 3.482) 4.781 4.925 ( -2.572 4.422 -4.899) 7.083 4.975 ( 0.302 1.852 1.748) 2.565 5.135 ( -3.577 -4.747 -7.226) 9.356 5.210 ( -0.162 -2.300 2.960) 3.753 5.352 ( -1.107 0.437 6.549) 6.656 5.614 ( 9.901 3.173 9.568) 14.130 8.177 ( -1.063 -4.848 -1.402) 5.157 8.193 ( -0.436 -4.082 -1.879) 4.515 8.422 ( -3.579 -6.269 -4.584) 8.551 8.451 ( -1.474 -5.488 3.512) 6.680 9.617 ( 0.108 -1.849 0.260) 1.870 9.639 ( 0.547 -1.714 -4.172) 4.544 10.086 ( -8.402 -3.962 2.747) 9.687 10.256 ( -1.300 -2.091 -8.885) 9.219 10.670 ( -1.134 1.307 -1.727) 2.445 10.765 ( 2.911 1.760 1.575) 3.748 10.852 ( -1.144 -0.828 1.947) 2.405 11.015 ( 4.860 -0.487 -2.421) 5.452 11.332 ( -6.513 4.412 0.906) 7.918 11.593 ( 5.380 3.264 1.581) 6.488 11.856 ( -5.423 4.889 2.981) 7.886 11.998 ( 0.718 4.355 -2.670) 5.158 13.599 ( -2.400 -1.895 5.982) 6.718 13.701 ( 1.039 -4.653 -3.171) 5.726 13.946 ( -0.462 6.871 -1.338) 7.016 14.167 ( 9.555 6.040 -0.971) 11.346 14.467 ( -2.073 -1.126 -4.619) 5.186 14.523 ( 1.220 2.528 6.026) 6.648 14.934 ( -5.239 -2.157 10.312) 11.765 15.182 ( 3.384 -3.274 -9.869) 10.935======================= Grid point 335 (172/205) =======================q-point: ( 0.22 0.11 -0.56)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.103 ( 20.822 3.170 -20.486) 29.381 3.366 ( 7.312 14.143 18.669) 24.536 3.515 ( 15.164 11.361 -14.407) 23.803 3.800 ( 22.479 4.331 13.923) 26.794 4.319 ( -13.690 -2.614 -1.453) 14.013 4.566 ( -16.379 5.261 -0.980) 17.231 4.792 ( 1.960 2.621 -15.505) 15.846 4.857 ( -2.713 -0.688 -7.014) 7.552 5.211 ( 3.084 -2.823 1.424) 4.417 5.281 ( 2.946 0.637 1.807) 3.514 5.501 ( 4.746 2.658 23.654) 24.272 5.878 ( 8.508 2.439 10.259) 13.550 8.119 ( -2.774 -5.739 -2.847) 6.981 8.174 ( -0.366 -4.295 -1.767) 4.659 8.300 ( -4.135 -6.831 -5.291) 9.579 8.436 ( -4.339 -5.901 6.246) 9.626 9.601 ( -1.015 -2.100 -2.245) 3.237 9.603 ( -0.256 -2.202 -5.743) 6.156 9.883 ( -11.551 -3.320 -1.955) 12.176 10.112 ( -5.545 0.603 -10.226) 11.648 10.649 ( 0.218 1.179 -1.666) 2.052 10.780 ( -1.693 -1.096 1.434) 2.475 10.922 ( 5.506 0.789 1.957) 5.896 11.094 ( 4.706 -0.153 -1.302) 4.885 11.251 ( -3.327 4.345 2.951) 6.217 11.666 ( -0.770 2.752 2.196) 3.604 11.769 ( -3.400 5.364 1.013) 6.431 11.977 ( -0.794 5.037 -2.186) 5.548 13.598 ( -2.204 -0.764 5.726) 6.182 13.723 ( 3.266 -4.596 -2.648) 6.229 13.945 ( 1.236 5.460 -1.261) 5.738 14.351 ( 8.350 4.451 -1.497) 9.580 14.409 ( 0.672 -1.595 -3.780) 4.157 14.563 ( -2.041 3.957 6.305) 7.718 14.931 ( -2.709 -2.201 9.265) 9.901 15.155 ( 1.427 -2.666 -9.093) 9.583======================= Grid point 336 (173/205) =======================q-point: ( 0.33 0.11 -0.56)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.363 ( 20.017 1.858 -19.414) 27.947 3.620 ( 13.000 5.606 -7.157) 15.864 3.732 ( 8.386 10.382 10.150) 16.766 3.985 ( -14.079 -0.007 -3.077) 14.411 4.158 ( -9.369 -2.502 5.399) 11.099 4.394 ( 7.132 7.564 12.670) 16.390 4.756 ( -1.368 4.774 -7.034) 8.610 4.772 ( 4.032 4.725 -8.890) 10.845 5.240 ( -0.647 0.021 0.386) 0.753 5.340 ( 2.810 -0.398 -0.148) 2.842 5.797 ( 7.035 3.016 19.706) 21.140 6.082 ( 5.548 2.085 6.969) 9.149 8.038 ( -3.324 -6.346 -2.100) 7.465 8.128 ( -1.970 -5.668 -6.024) 8.503 8.225 ( 0.454 -6.754 -1.825) 7.011 8.381 ( -6.103 -6.471 6.287) 10.893 9.524 ( -4.828 -4.743 -3.378) 7.564 9.552 ( -0.344 -2.442 -6.043) 6.527 9.675 ( -6.512 1.368 -2.409) 7.077 9.912 ( -6.275 1.137 -10.681) 12.440 10.651 ( 1.085 0.709 -1.033) 1.658 10.752 ( -1.824 -2.009 0.510) 2.761 11.050 ( 5.726 1.572 1.744) 6.189 11.176 ( 4.285 0.987 -0.411) 4.416 11.235 ( -1.742 3.068 4.669) 5.852 11.582 ( -5.896 4.202 -0.725) 7.276 11.773 ( 0.555 4.366 2.298) 4.965 11.938 ( -1.459 5.416 -1.898) 5.922 13.604 ( -1.814 -0.285 6.101) 6.372 13.770 ( 4.275 -3.902 -5.360) 7.888 13.978 ( 2.126 3.323 1.786) 4.330 14.338 ( -1.546 -1.734 -4.165) 4.769 14.533 ( 7.141 3.260 -1.601) 8.012 14.550 ( -3.333 4.276 6.134) 8.186 14.960 ( -1.218 -1.454 7.319) 7.561 15.112 ( 1.031 -1.559 -7.498) 7.728======================= Grid point 337 (174/205) =======================q-point: ( 0.44 0.11 -0.56)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.547 ( 13.441 1.744 -16.089) 21.037 3.559 ( -18.730 1.431 4.780) 19.384 3.838 ( -2.009 -0.336 2.723) 3.400 3.872 ( -1.645 -2.236 -2.679) 3.857 4.119 ( 10.261 8.735 11.002) 17.396 4.589 ( -3.239 5.431 -5.077) 8.110 4.659 ( -2.090 7.498 11.152) 13.600 4.849 ( 7.867 7.162 -8.507) 13.622 5.228 ( -1.416 1.303 4.554) 4.944 5.360 ( -0.700 0.143 -1.706) 1.850 6.040 ( 5.228 2.627 11.664) 13.050 6.194 ( 2.362 1.842 2.069) 3.640 7.973 ( -1.898 -6.717 -0.461) 6.995 8.044 ( -1.177 -6.690 -5.762) 8.907 8.277 ( 6.318 -6.824 -2.952) 9.757 8.302 ( -5.753 -6.821 3.978) 9.770 9.422 ( -2.515 -4.526 -0.571) 5.209 9.500 ( -0.597 -3.204 -5.345) 6.260 9.587 ( -2.442 2.851 -0.013) 3.754 9.725 ( -4.581 1.715 -9.091) 10.324 10.672 ( 0.977 -0.336 0.577) 1.184 10.720 ( -1.040 -1.726 -0.936) 2.222 11.149 ( 1.922 1.813 2.632) 3.729 11.221 ( 0.813 1.700 -1.684) 2.528 11.272 ( 1.254 3.031 6.868) 7.611 11.475 ( -2.709 4.344 -4.147) 6.588 11.801 ( 0.013 4.014 3.500) 5.326 11.898 ( -0.505 5.724 -2.829) 6.405 13.618 ( -1.979 -0.292 6.790) 7.078 13.793 ( 3.500 -2.035 -8.386) 9.312 14.056 ( 3.026 0.324 4.995) 5.849 14.260 ( -3.238 -1.951 -4.136) 5.603 14.521 ( -4.167 3.971 7.318) 9.310 14.632 ( 5.192 3.096 -5.235) 7.997 14.984 ( -1.898 0.093 6.202) 6.487 15.091 ( 2.181 -1.247 -5.807) 6.327======================= Grid point 338 (175/205) =======================q-point: (-0.44 0.11 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.246 ( -19.826 2.782 12.708) 23.713 3.538 ( -22.839 -0.550 15.881) 27.823 3.697 ( 12.508 0.095 -8.179) 14.946 4.069 ( 12.218 -1.721 -7.396) 14.385 4.380 ( -5.346 6.630 -8.065) 11.729 4.402 ( 5.758 9.394 6.709) 12.900 4.643 ( -8.802 4.881 10.539) 14.573 4.875 ( -0.451 7.268 -7.995) 10.814 5.257 ( -1.824 0.873 8.040) 8.290 5.295 ( -3.404 1.692 -1.219) 3.992 6.166 ( 1.177 2.011 4.256) 4.852 6.205 ( -0.323 1.875 -3.808) 4.257 7.968 ( 0.997 -6.797 1.393) 7.009 8.010 ( 1.563 -6.652 -3.884) 7.860 8.232 ( -2.865 -6.582 1.116) 7.265 8.417 ( 11.125 -7.520 -6.648) 14.983 9.415 ( -0.078 -4.175 2.581) 4.909 9.451 ( -0.457 -4.465 -3.359) 5.606 9.576 ( -0.265 2.355 3.283) 4.049 9.636 ( 1.352 3.357 -2.857) 4.611 10.669 ( -1.828 -1.580 0.747) 2.529 10.723 ( 2.145 -0.182 -1.077) 2.407 11.141 ( -4.529 0.511 3.587) 5.800 11.211 ( -1.382 3.331 -0.970) 3.735 11.338 ( 0.029 1.375 3.485) 3.747 11.447 ( 4.471 5.971 -4.282) 8.601 11.815 ( -1.515 2.757 3.012) 4.355 11.894 ( 2.683 6.650 -3.262) 7.878 13.627 ( -2.690 -0.907 7.166) 7.708 13.785 ( 2.708 -0.658 -9.140) 9.556 14.151 ( -1.850 -0.987 0.091) 2.098 14.157 ( -0.017 -1.082 1.917) 2.201 14.499 ( -3.886 3.183 6.863) 8.505 14.672 ( 4.069 3.396 -6.733) 8.568 14.975 ( -3.473 1.108 5.634) 6.710 15.102 ( 2.944 -1.995 -5.295) 6.379======================= Grid point 339 (176/205) =======================q-point: (-0.33 0.11 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.962 ( -22.948 3.620 18.963) 29.988 3.247 ( -20.865 3.544 20.837) 29.700 3.918 ( 12.503 -1.344 0.164) 12.576 4.079 ( -6.929 10.924 -10.637) 16.747 4.215 ( -2.033 3.236 1.275) 4.028 4.536 ( -0.499 0.943 8.174) 8.244 4.558 ( -9.862 3.924 -1.721) 10.753 4.738 ( -0.371 5.854 -3.889) 7.038 5.224 ( -3.581 0.700 3.247) 4.884 5.280 ( -2.166 2.053 5.002) 5.824 6.107 ( -3.285 1.355 -9.987) 10.600 6.171 ( -2.463 2.140 -2.124) 3.893 8.022 ( 3.100 -6.833 0.890) 7.556 8.046 ( 3.799 -5.683 -0.054) 6.836 8.215 ( 0.818 -6.135 -0.714) 6.230 8.566 ( 10.297 -7.738 -11.452) 17.236 9.437 ( -0.354 -3.475 4.566) 5.749 9.473 ( 3.737 -4.729 1.690) 6.260 9.617 ( 3.299 0.912 3.029) 4.571 9.739 ( 6.478 2.899 5.859) 9.203 10.639 ( -1.223 -0.294 0.046) 1.258 10.763 ( 2.380 -0.218 -0.516) 2.445 11.057 ( -5.889 -0.038 1.807) 6.160 11.149 ( -4.293 3.416 0.477) 5.507 11.332 ( 0.182 1.334 -3.052) 3.336 11.565 ( 7.808 6.019 0.448) 9.869 11.792 ( -2.310 2.115 1.097) 3.318 11.930 ( 2.409 6.813 -1.794) 7.445 13.622 ( -3.285 -2.201 6.751) 7.823 13.765 ( 2.369 -0.027 -8.535) 8.858 14.045 ( -3.674 1.672 -3.371) 5.259 14.233 ( 0.894 -1.162 6.058) 6.233 14.453 ( -6.207 2.896 4.913) 8.429 14.692 ( 3.054 3.412 -6.362) 7.839 14.957 ( -2.558 0.438 6.264) 6.780 15.114 ( 2.889 -2.841 -6.444) 7.612======================= Grid point 340 (177/205) =======================q-point: (-0.22 0.11 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.651 ( -24.004 4.698 22.769) 33.417 3.051 ( -17.373 10.514 23.996) 31.436 3.800 ( -6.395 12.138 -17.569) 22.291 4.072 ( -18.507 2.412 -6.980) 19.926 4.195 ( 2.386 2.317 9.358) 9.932 4.314 ( 0.953 6.644 15.706) 17.080 4.636 ( 5.773 -5.271 3.299) 8.485 4.794 ( 2.531 3.025 -0.204) 3.949 5.181 ( -3.701 -1.375 4.393) 5.907 5.270 ( -1.597 2.342 2.248) 3.618 5.924 ( -4.985 1.475 -16.194) 17.008 6.051 ( -6.356 1.684 -6.648) 9.350 8.089 ( 3.431 -6.108 -0.031) 7.005 8.137 ( 3.984 -4.565 1.653) 6.280 8.248 ( 2.981 -5.998 -0.312) 6.705 8.625 ( 5.403 -6.913 -12.236) 15.057 9.480 ( 0.630 -3.164 5.810) 6.645 9.558 ( 2.583 -1.606 2.057) 3.672 9.793 ( 9.967 -4.687 6.258) 12.668 9.940 ( 8.968 1.761 6.929) 11.469 10.629 ( 0.147 0.909 0.120) 0.929 10.803 ( 2.064 0.189 -0.788) 2.217 10.952 ( -5.187 -0.477 -0.172) 5.212 11.067 ( -4.458 2.494 0.521) 5.134 11.316 ( 0.954 3.119 -2.888) 4.357 11.703 ( 1.684 3.453 -1.152) 4.011 11.764 ( 2.650 3.277 1.779) 4.574 11.949 ( 0.281 6.629 -0.125) 6.636 13.606 ( -3.209 -3.548 6.050) 7.713 13.749 ( 2.444 -0.533 -7.796) 8.188 13.971 ( -1.543 4.802 -2.290) 5.539 14.288 ( -0.111 0.402 5.331) 5.347 14.325 ( -9.270 2.910 3.492) 10.324 14.686 ( 0.762 2.744 -5.377) 6.085 14.972 ( -1.916 -0.885 7.850) 8.129 15.122 ( 4.065 -3.524 -8.589) 10.134======================= Grid point 341 (178/205) =======================q-point: (-0.11 0.11 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.468 ( -11.365 7.545 25.289) 28.734 2.942 ( -12.698 15.827 24.819) 32.058 3.541 ( -17.054 7.379 -17.197) 25.318 3.584 ( -5.090 11.596 -19.250) 23.042 4.345 ( -0.076 4.587 28.016) 28.389 4.570 ( 7.998 -1.444 9.278) 12.334 4.791 ( -2.333 -0.454 3.410) 4.157 4.819 ( 8.863 -2.361 6.427) 11.200 5.153 ( -2.315 -1.809 2.541) 3.884 5.260 ( 0.184 1.491 -0.510) 1.586 5.681 ( -5.576 1.460 -19.045) 19.898 5.828 ( -9.863 1.184 -10.371) 14.361 8.148 ( 2.351 -5.144 0.274) 5.662 8.200 ( 2.325 -3.787 -1.286) 4.626 8.324 ( 3.511 -5.914 2.872) 7.453 8.603 ( 1.307 -6.166 -9.773) 11.630 9.542 ( 1.201 -2.742 5.147) 5.954 9.612 ( 1.959 -1.025 0.723) 2.326 10.011 ( 5.941 -3.540 8.154) 10.692 10.170 ( 9.931 -3.399 1.276) 10.574 10.647 ( 1.507 1.650 0.309) 2.256 10.798 ( -2.646 1.800 -1.547) 3.555 10.892 ( 0.529 -1.683 -0.794) 1.935 10.986 ( -3.740 1.337 -0.559) 4.011 11.347 ( 3.974 4.558 -0.494) 6.068 11.619 ( -6.286 2.521 -0.637) 6.802 11.893 ( 6.303 3.803 -0.377) 7.371 11.943 ( -1.501 5.963 2.009) 6.469 13.595 ( -2.504 -4.071 5.840) 7.546 13.739 ( 2.243 -2.242 -7.119) 7.793 13.957 ( 1.787 6.960 -1.544) 7.350 14.140 ( -9.713 6.031 1.587) 11.543 14.355 ( 1.303 -0.250 6.366) 6.502 14.636 ( -1.823 1.441 -4.907) 5.429 14.984 ( -3.807 -1.720 9.245) 10.145 15.145 ( 5.554 -3.576 -10.108) 12.075======================= Grid point 342 (179/205) =======================q-point: ( 0.00 0.22 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.906 ( 10.275 17.308 21.068) 29.137 3.303 ( -8.672 15.014 -16.547) 23.967 3.356 ( -3.050 20.000 19.769) 28.286 3.762 ( 3.385 17.588 -18.701) 25.895 4.610 ( 0.752 1.906 8.087) 8.343 4.638 ( -0.573 -3.351 2.993) 4.530 4.801 ( 2.773 -3.161 16.315) 16.848 4.980 ( 2.460 -1.203 18.178) 18.383 5.060 ( 0.336 -6.995 -6.504) 9.557 5.325 ( 1.439 4.650 -7.743) 9.146 5.507 ( -5.302 3.054 -5.350) 8.128 5.577 ( -7.754 3.422 -9.033) 12.387 8.070 ( 0.969 -6.492 0.921) 6.628 8.118 ( 0.524 -5.449 -3.630) 6.569 8.260 ( 1.808 -8.976 4.182) 10.066 8.384 ( -1.492 -9.101 -7.681) 12.002 9.544 ( 1.273 -2.767 3.375) 4.546 9.601 ( 1.217 -2.763 -2.219) 3.747 10.064 ( 0.170 -4.594 5.923) 7.498 10.157 ( 3.100 -7.652 -2.495) 8.625 10.737 ( 1.650 2.642 1.059) 3.290 10.768 ( -1.813 2.843 -1.712) 3.782 10.907 ( -4.193 0.871 0.560) 4.319 10.936 ( 4.172 -0.314 -2.208) 4.731 11.555 ( -4.130 4.910 1.791) 6.661 11.562 ( 1.956 5.703 1.332) 6.175 12.044 ( -2.740 7.394 0.730) 7.920 12.080 ( 3.686 6.517 -2.329) 7.841 13.543 ( -1.330 -1.728 6.006) 6.390 13.664 ( 0.248 -1.440 -5.458) 5.650 14.124 ( -4.807 4.875 3.026) 7.486 14.180 ( 4.986 7.840 -2.605) 9.650 14.447 ( 4.443 -0.077 4.764) 6.515 14.531 ( -5.147 -2.550 -3.337) 6.642 14.932 ( -4.627 -0.821 7.455) 8.813 15.098 ( 4.768 -3.805 -8.771) 10.684======================= Grid point 343 (180/205) =======================q-point: ( 0.11 0.22 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.135 ( 6.284 13.116 -19.462) 24.296 3.372 ( 20.320 14.069 18.362) 30.790 3.501 ( 2.010 21.631 18.973) 28.843 3.731 ( 8.367 15.523 -19.506) 26.296 4.490 ( -8.911 -1.143 1.011) 9.041 4.763 ( 4.487 -0.338 2.320) 5.063 4.925 ( -5.564 -7.682 -10.665) 14.272 5.001 ( 3.320 -9.049 5.003) 10.860 5.068 ( -6.258 8.685 -5.579) 12.071 5.216 ( 2.158 3.735 5.444) 6.947 5.381 ( -2.552 2.990 9.804) 10.563 5.687 ( 9.802 4.006 7.928) 13.228 8.061 ( -2.089 -6.632 -1.892) 7.206 8.090 ( -0.595 -6.130 -1.545) 6.349 8.268 ( -4.036 -9.203 -4.717) 11.101 8.305 ( -1.463 -9.128 2.899) 9.688 9.573 ( -0.043 -2.619 0.484) 2.664 9.589 ( 0.309 -3.342 -4.852) 5.900 9.996 ( -7.356 -4.865 -0.412) 8.829 10.184 ( 0.858 -5.289 -4.809) 7.200 10.707 ( -1.670 2.452 -1.047) 3.147 10.817 ( 1.096 3.515 1.362) 3.926 10.840 ( -0.195 -0.341 0.973) 1.050 11.010 ( 4.596 -0.052 -1.216) 4.754 11.435 ( -6.487 5.957 2.539) 9.165 11.667 ( 3.733 3.918 2.545) 5.981 11.981 ( -4.035 7.743 0.244) 8.735 12.109 ( 1.463 6.787 -2.774) 7.476 13.564 ( -1.375 -1.325 6.037) 6.332 13.642 ( 1.550 -1.246 -4.029) 4.493 14.060 ( -3.167 4.290 1.786) 5.623 14.303 ( 8.404 6.380 -1.921) 10.724 14.417 ( -3.668 -3.603 -3.059) 5.982 14.573 ( 4.195 2.118 4.870) 6.768 14.897 ( -4.581 -0.914 7.466) 8.807 15.110 ( 3.112 -3.714 -8.239) 9.559======================= Grid point 344 (181/205) =======================q-point: ( 0.22 0.22 -0.56)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.225 ( 16.708 9.480 -18.903) 26.951 3.689 ( 7.288 16.968 -0.207) 18.468 3.774 ( 8.071 14.675 -0.278) 16.750 3.900 ( 15.978 5.603 12.028) 20.769 4.319 ( -7.609 3.119 -1.010) 8.285 4.588 ( -15.050 -3.574 -7.666) 17.264 4.849 ( 2.396 1.210 -1.035) 2.877 4.910 ( 1.234 8.122 -13.107) 15.468 5.126 ( 4.736 -5.866 3.753) 8.422 5.302 ( 1.736 1.387 1.952) 2.958 5.584 ( 6.371 6.143 23.450) 25.065 5.938 ( 8.359 3.483 9.406) 13.057 7.979 ( -3.719 -8.055 -3.305) 9.468 8.065 ( -1.053 -6.575 -1.479) 6.821 8.131 ( -5.046 -10.052 -5.389) 12.472 8.283 ( -4.512 -9.525 5.335) 11.813 9.538 ( -2.354 -4.169 -4.095) 6.300 9.545 ( -0.900 -3.779 -4.791) 6.168 9.829 ( -7.116 -1.822 -3.391) 8.091 10.098 ( -4.335 -2.214 -7.871) 9.254 10.677 ( -0.416 1.662 -1.537) 2.302 10.770 ( -3.331 0.169 1.522) 3.666 10.952 ( 6.530 2.355 1.759) 7.161 11.098 ( 4.998 0.445 0.086) 5.019 11.353 ( -4.435 6.017 3.766) 8.370 11.722 ( -1.299 2.525 3.932) 4.850 11.906 ( -2.443 8.454 -1.440) 8.917 12.100 ( -0.116 7.203 -2.725) 7.702 13.580 ( -1.410 -0.892 5.480) 5.728 13.665 ( 3.366 -1.117 -2.970) 4.626 14.025 ( -1.837 2.506 1.700) 3.542 14.327 ( -2.215 -6.486 -3.390) 7.646 14.475 ( 9.137 7.119 -1.377) 11.665 14.660 ( 0.135 5.538 5.303) 7.669 14.886 ( -1.499 -1.903 6.320) 6.769 15.096 ( 1.730 -3.054 -7.122) 7.940======================= Grid point 345 (182/205) =======================q-point: ( 0.33 0.22 -0.56)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.434 ( 17.678 5.651 -17.366) 25.417 3.744 ( 8.184 6.130 -18.231) 20.902 3.888 ( -9.840 2.258 6.066) 11.778 4.077 ( 5.517 12.528 10.190) 17.065 4.125 ( -14.397 -1.715 -2.016) 14.639 4.553 ( 9.684 9.169 11.811) 17.814 4.850 ( -1.692 3.984 -1.026) 4.448 4.920 ( 8.408 10.220 -9.988) 16.581 5.231 ( 2.712 -1.204 2.774) 4.061 5.340 ( 1.302 0.679 1.062) 1.812 5.883 ( 7.244 5.834 17.847) 20.125 6.136 ( 5.276 3.262 7.041) 9.383 7.880 ( -3.923 -9.355 -2.575) 10.466 7.976 ( -3.963 -9.768 -6.592) 12.433 8.067 ( 0.690 -8.799 -1.077) 8.892 8.216 ( -6.225 -10.085 5.139) 12.918 9.427 ( -4.962 -4.955 -3.755) 7.955 9.486 ( -0.543 -4.235 -6.630) 7.886 9.703 ( -3.598 1.598 -2.668) 4.756 9.925 ( -6.085 -0.112 -9.089) 10.939 10.667 ( 0.714 0.769 -1.879) 2.152 10.720 ( -2.885 -0.871 1.429) 3.335 11.094 ( 6.457 2.965 1.444) 7.250 11.206 ( 5.462 1.873 1.063) 5.871 11.314 ( -3.146 5.119 5.014) 7.825 11.667 ( -5.606 3.730 1.336) 6.865 11.887 ( 0.282 7.237 0.670) 7.273 12.067 ( -0.818 7.333 -3.185) 8.036 13.596 ( -1.472 -0.482 5.950) 6.149 13.716 ( 4.332 -1.505 -4.209) 6.225 14.014 ( -0.971 0.205 2.824) 2.993 14.262 ( -2.048 -6.394 -3.349) 7.503 14.626 ( 7.581 5.986 -2.904) 10.086 14.661 ( -3.781 6.890 6.028) 9.904 14.931 ( 1.316 -1.276 4.409) 4.775 15.078 ( 1.249 -1.839 -4.978) 5.452======================= Grid point 346 (183/205) =======================q-point: ( 0.44 0.22 -0.56)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.591 ( 10.818 2.703 -14.920) 18.627 3.597 ( -16.562 2.487 3.143) 17.040 3.824 ( -7.011 -0.951 1.015) 7.148 3.846 ( 1.968 -0.511 -6.779) 7.077 4.335 ( 9.023 12.916 12.166) 19.906 4.720 ( -2.166 7.625 -2.853) 8.424 4.834 ( -0.459 9.533 10.385) 14.105 5.021 ( 7.042 9.920 -7.013) 14.042 5.267 ( -0.937 2.823 4.778) 5.628 5.363 ( 0.207 0.229 -0.670) 0.737 6.113 ( 4.897 4.844 10.650) 12.683 6.244 ( 1.914 3.184 2.815) 4.662 7.804 ( -2.132 -10.175 -0.803) 10.427 7.871 ( -1.592 -10.689 -5.693) 12.215 8.110 ( 5.208 -9.842 -2.775) 11.475 8.132 ( -5.116 -10.117 2.961) 11.717 9.338 ( -1.760 -3.974 -0.948) 4.449 9.424 ( -1.051 -4.443 -5.863) 7.431 9.636 ( -2.229 2.278 0.008) 3.187 9.755 ( -3.984 1.115 -7.782) 8.813 10.669 ( -0.848 -0.001 0.581) 1.028 10.689 ( 0.485 -1.244 -1.346) 1.896 11.201 ( 1.456 3.500 3.248) 4.992 11.270 ( 0.933 3.330 -1.323) 3.703 11.347 ( 1.803 4.509 7.733) 9.132 11.568 ( -2.614 4.549 -3.844) 6.504 11.903 ( -1.050 6.270 4.343) 7.699 12.030 ( 0.741 7.250 -5.208) 8.958 13.611 ( -2.121 -0.344 6.691) 7.027 13.756 ( 3.903 -1.582 -6.659) 7.879 14.037 ( 0.459 -2.534 4.669) 5.332 14.193 ( -2.346 -5.121 -3.479) 6.620 14.626 ( -4.393 6.651 6.310) 10.166 14.718 ( 5.282 5.550 -5.283) 9.307 14.987 ( 0.988 0.143 3.535) 3.673 15.066 ( 0.571 -1.146 -3.100) 3.354======================= Grid point 347 (184/205) =======================q-point: (-0.44 0.22 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.320 ( -17.131 4.774 11.022) 20.922 3.553 ( -18.669 2.402 13.160) 22.967 3.695 ( 9.483 -0.547 -6.553) 11.540 4.015 ( 13.157 -3.680 -9.098) 16.414 4.545 ( -2.664 9.851 -0.816) 10.238 4.599 ( 3.307 10.155 -0.143) 10.681 4.818 ( -11.031 12.289 12.515) 20.720 5.028 ( -2.372 7.886 -6.494) 10.487 5.280 ( -3.147 1.501 5.892) 6.846 5.341 ( -0.520 3.027 -0.685) 3.147 6.220 ( -0.282 3.513 3.567) 5.015 6.258 ( -0.011 3.557 -1.879) 4.022 7.796 ( 1.158 -10.400 1.090) 10.521 7.838 ( 2.029 -10.620 -3.720) 11.435 8.072 ( -1.888 -9.274 0.534) 9.479 8.229 ( 9.842 -11.258 -5.937) 16.089 9.335 ( 0.117 -3.994 2.475) 4.700 9.362 ( -0.996 -4.458 -3.327) 5.651 9.619 ( -0.982 2.015 2.902) 3.667 9.688 ( 1.989 1.979 -2.637) 3.850 10.648 ( -1.348 -0.483 1.173) 1.851 10.714 ( 2.868 -0.667 -2.325) 3.751 11.173 ( -5.714 2.760 4.477) 7.766 11.283 ( -0.955 3.849 -0.719) 4.030 11.394 ( -1.804 4.209 4.297) 6.280 11.568 ( 6.874 6.090 -5.451) 10.679 11.896 ( -3.459 5.314 5.184) 8.189 12.035 ( 4.002 7.288 -5.714) 10.089 13.610 ( -3.320 -0.598 6.673) 7.477 13.766 ( 2.982 -1.174 -7.799) 8.432 14.098 ( 1.434 -4.861 5.629) 7.574 14.124 ( -1.736 -2.261 -3.430) 4.460 14.590 ( -4.480 5.962 6.246) 9.728 14.763 ( 4.163 5.728 -6.147) 9.377 15.005 ( -1.766 1.891 2.500) 3.598 15.053 ( 0.443 -2.862 -2.470) 3.807======================= Grid point 348 (185/205) =======================q-point: (-0.33 0.22 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.074 ( -20.194 8.052 17.096) 27.657 3.347 ( -14.459 6.664 19.293) 25.014 3.878 ( 10.749 -3.049 2.602) 11.473 4.183 ( 9.095 -4.818 -5.189) 11.526 4.338 ( -7.167 12.700 -12.387) 19.134 4.653 ( -14.014 12.234 13.119) 22.763 4.708 ( -3.867 9.564 1.212) 10.388 4.852 ( -5.486 5.893 -2.867) 8.546 5.227 ( -5.571 -0.356 3.986) 6.860 5.337 ( -0.825 3.432 0.915) 3.647 6.148 ( -4.230 3.004 -7.181) 8.859 6.227 ( -2.851 3.476 -2.545) 5.166 7.854 ( 3.672 -10.028 0.781) 10.708 7.894 ( 4.955 -9.655 0.172) 10.853 8.069 ( 1.722 -8.163 -1.362) 8.453 8.370 ( 9.946 -11.884 -9.530) 18.192 9.358 ( 0.258 -4.392 3.836) 5.837 9.377 ( 3.037 -4.828 2.527) 6.239 9.640 ( 1.128 1.408 3.159) 3.638 9.783 ( 5.984 1.400 4.477) 7.604 10.641 ( -0.075 0.542 0.674) 0.868 10.758 ( 3.356 -0.384 -2.191) 4.026 11.080 ( -6.469 2.311 2.731) 7.393 11.204 ( -5.891 2.171 0.635) 6.311 11.398 ( 1.164 5.435 -1.625) 5.790 11.693 ( 8.019 6.515 -2.233) 10.571 11.859 ( -3.752 4.712 3.999) 7.230 12.074 ( 3.440 7.337 -4.202) 9.128 13.585 ( -4.039 -1.174 5.872) 7.223 13.757 ( 2.090 -0.672 -7.516) 7.830 14.079 ( -0.254 1.411 -2.968) 3.296 14.169 ( 1.265 -5.764 5.684) 8.193 14.536 ( -5.987 5.516 5.157) 9.637 14.783 ( 1.955 5.802 -4.930) 7.861 14.978 ( -1.643 1.719 1.255) 2.689 15.039 ( 0.146 -4.702 -2.857) 5.504======================= Grid point 349 (186/205) =======================q-point: (-0.22 0.22 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.819 ( -19.336 12.587 20.388) 30.789 3.278 ( -10.261 12.171 23.150) 28.095 4.057 ( -0.824 8.347 -9.091) 12.369 4.130 ( -6.826 5.550 -7.590) 11.619 4.216 ( 0.098 1.237 2.523) 2.812 4.531 ( 1.366 0.415 -1.346) 1.962 4.544 ( -10.033 11.945 19.401) 24.895 4.859 ( 0.107 3.419 1.319) 3.666 5.142 ( -5.157 -2.995 2.595) 6.504 5.318 ( -1.442 2.432 0.328) 2.846 5.968 ( -5.982 3.197 -13.370) 14.992 6.097 ( -6.956 2.957 -6.320) 9.853 7.939 ( 4.382 -8.860 0.562) 9.901 8.012 ( 5.568 -8.252 2.239) 10.203 8.108 ( 3.344 -7.571 -2.033) 8.523 8.448 ( 5.983 -10.880 -10.655) 16.362 9.408 ( 0.868 -4.001 6.160) 7.397 9.493 ( 5.183 -4.969 2.534) 7.614 9.730 ( 5.368 -1.533 5.526) 7.855 9.950 ( 6.173 -0.652 6.655) 9.101 10.656 ( 1.196 1.851 0.394) 2.238 10.809 ( 3.606 0.183 -2.173) 4.214 10.968 ( -6.199 2.012 0.428) 6.531 11.095 ( -5.420 0.708 0.152) 5.468 11.414 ( 2.049 6.730 -1.645) 7.225 11.768 ( -2.596 3.044 0.497) 4.031 11.871 ( 5.499 7.302 1.196) 9.219 12.093 ( 1.157 7.524 -2.620) 8.051 13.551 ( -3.663 -1.672 5.387) 6.726 13.735 ( 1.431 -0.522 -7.114) 7.275 14.070 ( 1.313 4.622 -2.282) 5.319 14.234 ( 1.002 -5.611 5.734) 8.085 14.428 ( -8.080 6.507 3.021) 10.805 14.752 ( -2.105 3.636 -3.231) 5.301 14.968 ( -1.993 0.673 4.181) 4.680 15.032 ( 3.456 -5.254 -6.851) 9.299======================= Grid point 350 (187/205) =======================q-point: (-0.11 0.22 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.707 ( -7.239 16.811 22.170) 28.750 3.284 ( -7.129 18.000 22.645) 29.793 3.714 ( -18.694 10.852 -14.527) 26.043 3.884 ( -1.692 17.130 -17.117) 24.275 4.417 ( 6.908 -0.037 11.264) 13.213 4.587 ( -1.952 4.255 18.843) 19.416 4.685 ( 5.794 -6.619 9.911) 13.252 4.840 ( -1.740 2.671 3.675) 4.865 5.088 ( -1.435 -5.404 -0.341) 5.601 5.303 ( 0.565 2.729 -0.625) 2.856 5.726 ( -6.712 3.275 -16.479) 18.093 5.866 ( -10.602 2.716 -9.254) 14.332 8.021 ( 3.256 -7.484 0.830) 8.204 8.107 ( 3.002 -5.541 -1.388) 6.453 8.175 ( 3.965 -8.975 1.815) 9.978 8.446 ( 1.812 -9.665 -9.181) 13.453 9.480 ( 1.584 -3.444 5.702) 6.847 9.575 ( 2.416 -2.851 0.157) 3.741 9.918 ( 7.920 -5.350 6.143) 11.362 10.095 ( 3.681 -4.275 4.567) 7.258 10.691 ( 2.032 2.717 0.332) 3.409 10.849 ( -3.224 3.336 -1.337) 4.828 10.871 ( 2.244 -0.839 -1.934) 3.079 10.998 ( -4.709 0.272 -0.091) 4.718 11.463 ( 3.911 7.087 -0.120) 8.095 11.680 ( -6.376 3.565 1.569) 7.471 11.995 ( 6.082 6.442 -0.943) 8.909 12.082 ( -0.989 7.721 -0.710) 7.816 13.533 ( -2.370 -1.873 5.520) 6.293 13.703 ( 0.666 -0.989 -6.512) 6.620 14.096 ( 3.027 6.507 -1.612) 7.355 14.246 ( -6.601 1.582 3.824) 7.791 14.348 ( 1.248 1.843 3.454) 4.109 14.657 ( -4.880 0.119 -3.177) 5.824 14.957 ( -3.478 -0.730 6.657) 7.546 15.064 ( 5.499 -4.011 -8.767) 11.099======================= Grid point 351 (188/205) =======================q-point: ( 0.00 0.33 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.277 ( 9.067 20.538 17.182) 28.271 3.584 ( -7.378 14.126 -10.212) 18.927 3.740 ( -0.971 18.409 14.241) 23.294 4.065 ( 2.021 12.557 -14.642) 19.395 4.567 ( 4.157 -8.108 14.233) 16.899 4.612 ( 5.789 -7.869 4.929) 10.942 4.640 ( -7.117 -0.875 -0.225) 7.174 4.863 ( -0.136 -11.007 -10.192) 15.001 5.104 ( 3.176 9.880 20.035) 22.563 5.407 ( 1.514 3.043 -3.104) 4.603 5.580 ( -5.532 4.203 -4.337) 8.190 5.646 ( -8.306 3.228 -7.337) 11.543 7.953 ( 1.266 -5.073 1.899) 5.563 8.025 ( 0.342 -3.687 -4.913) 6.152 8.084 ( 1.913 -8.808 3.845) 9.799 8.205 ( -1.181 -8.963 -7.689) 11.868 9.498 ( 1.777 -1.867 2.901) 3.880 9.545 ( 0.928 -2.893 -1.743) 3.503 9.969 ( 1.830 -4.685 4.116) 6.499 10.018 ( 0.688 -6.366 -0.214) 6.406 10.786 ( 0.668 2.282 1.512) 2.818 10.816 ( -0.847 1.802 -1.248) 2.350 10.924 ( -2.868 1.096 0.055) 3.071 10.944 ( 2.854 0.930 -1.760) 3.480 11.646 ( -5.913 4.379 3.405) 8.108 11.666 ( 2.224 4.543 1.730) 5.346 12.175 ( -0.361 6.035 -0.797) 6.098 12.211 ( 3.124 6.158 -3.966) 7.963 13.548 ( -1.607 2.655 6.468) 7.174 13.674 ( 0.442 2.498 -5.562) 6.113 14.130 ( -4.329 -4.744 6.854) 9.392 14.253 ( 3.828 -2.855 -5.102) 6.988 14.468 ( 4.071 2.809 1.432) 5.149 14.485 ( -5.014 0.182 -0.181) 5.020 14.944 ( -2.769 1.802 3.917) 5.124 15.046 ( 3.297 -1.698 -6.120) 7.156======================= Grid point 352 (189/205) =======================q-point: ( 0.11 0.33 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.427 ( 2.684 16.458 -15.099) 22.496 3.654 ( 15.472 14.253 14.488) 25.543 3.877 ( 2.417 16.465 14.643) 22.166 4.009 ( 4.676 12.867 -17.508) 22.225 4.494 ( -6.039 0.981 0.682) 6.156 4.722 ( -2.817 -10.967 -14.225) 18.181 4.737 ( 2.506 -5.609 4.460) 7.591 4.796 ( 7.687 -9.886 6.148) 13.951 5.229 ( -5.813 7.611 -9.147) 13.243 5.314 ( 0.459 5.289 5.638) 7.744 5.478 ( -0.217 7.082 13.977) 15.671 5.748 ( 9.203 1.775 8.578) 12.705 7.946 ( -2.923 -4.653 -2.309) 5.961 7.979 ( -1.212 -4.890 -1.338) 5.212 8.091 ( -4.165 -8.589 -5.813) 11.176 8.123 ( -1.659 -9.313 3.119) 9.961 9.521 ( -0.715 -2.658 -0.528) 2.803 9.524 ( -0.495 -3.067 -4.293) 5.299 9.919 ( -4.431 -2.707 -1.544) 5.417 10.068 ( 1.891 -6.321 -2.109) 6.927 10.757 ( -2.069 2.549 -0.565) 3.331 10.834 ( -1.790 -0.274 0.382) 1.850 10.894 ( 2.772 4.025 1.024) 4.993 11.010 ( 4.293 -0.113 -0.600) 4.336 11.551 ( -6.192 5.995 4.253) 9.611 11.724 ( 0.850 1.663 3.917) 4.340 12.134 ( -1.918 7.707 -2.471) 8.318 12.235 ( 2.045 5.650 -4.001) 7.219 13.565 ( -1.701 1.826 5.947) 6.450 13.660 ( 1.910 2.999 -3.774) 5.185 14.080 ( -5.336 -2.729 6.106) 8.556 14.232 ( -2.296 -9.903 -3.651) 10.802 14.482 ( 5.193 6.684 -1.023) 8.526 14.600 ( 6.983 1.060 2.329) 7.437 14.914 ( -3.275 2.429 3.894) 5.638 15.053 ( 2.128 -2.203 -5.625) 6.405======================= Grid point 353 (190/205) =======================q-point: ( 0.22 0.33 -0.56)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.450 ( 10.806 13.400 -15.138) 22.924 3.915 ( 4.226 4.552 -11.443) 13.021 3.977 ( 1.009 6.271 -1.667) 6.567 4.096 ( 8.942 15.401 13.573) 22.392 4.413 ( -8.421 -0.405 -13.769) 16.145 4.499 ( 2.189 1.780 2.497) 3.767 4.839 ( 2.088 -3.272 4.530) 5.965 4.998 ( 8.137 -6.872 4.975) 11.755 5.095 ( 1.305 10.058 -8.583) 13.287 5.333 ( 0.547 1.637 2.662) 3.173 5.731 ( 7.539 8.738 20.168) 23.236 5.995 ( 8.184 1.867 9.754) 12.869 7.837 ( -4.850 -6.096 -4.397) 8.946 7.941 ( -5.628 -8.842 -6.911) 12.554 7.945 ( -2.247 -5.631 0.478) 6.082 8.093 ( -4.653 -9.655 4.476) 11.615 9.457 ( -3.401 -3.805 -4.347) 6.704 9.468 ( -1.429 -3.845 -5.254) 6.666 9.821 ( -3.310 0.944 -3.491) 4.902 10.031 ( -2.528 -4.473 -5.578) 7.583 10.713 ( -1.712 2.000 -1.097) 2.852 10.777 ( -3.404 0.263 0.429) 3.441 11.008 ( 6.710 3.283 1.720) 7.666 11.106 ( 5.707 0.230 0.628) 5.746 11.477 ( -5.239 6.710 5.279) 10.017 11.745 ( -2.766 -0.435 5.771) 6.415 12.076 ( -1.224 8.805 -3.915) 9.713 12.228 ( 0.506 5.435 -4.229) 6.905 13.577 ( -1.138 1.059 4.857) 5.100 13.683 ( 2.516 2.720 -2.264) 4.342 14.025 ( -4.957 -2.972 5.733) 8.141 14.158 ( -2.214 -10.088 -2.877) 10.721 14.612 ( 8.219 6.599 -1.744) 10.684 14.748 ( 5.148 2.836 3.569) 6.877 14.882 ( -2.400 1.886 3.046) 4.313 15.046 ( 1.352 -2.214 -4.637) 5.313======================= Grid point 354 (191/205) =======================q-point: ( 0.33 0.33 -0.56)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.573 ( 12.242 8.480 -14.283) 20.634 3.837 ( 2.743 3.410 -19.154) 19.648 3.897 ( -9.826 -0.000 1.823) 9.994 4.066 ( -11.876 -4.378 -8.962) 15.509 4.364 ( 7.071 15.016 11.558) 20.225 4.742 ( 10.769 10.065 10.974) 18.377 4.884 ( 0.371 -0.890 1.289) 1.610 5.114 ( 5.794 6.710 -3.347) 9.477 5.200 ( 7.802 0.392 1.970) 8.056 5.370 ( 0.567 2.135 2.733) 3.515 6.013 ( 7.114 7.350 14.982) 18.141 6.194 ( 5.235 2.368 7.644) 9.562 7.709 ( -4.790 -7.617 -3.606) 9.693 7.782 ( -5.092 -9.536 -6.329) 12.526 7.912 ( -0.559 -6.749 -0.757) 6.814 8.019 ( -5.802 -9.773 3.756) 11.970 9.347 ( -3.734 -3.147 -4.051) 6.345 9.401 ( -0.837 -4.253 -6.313) 7.658 9.740 ( -2.529 2.347 -3.138) 4.664 9.904 ( -4.868 -2.024 -7.234) 8.951 10.681 ( -0.421 0.826 -1.423) 1.698 10.716 ( -3.151 0.085 0.629) 3.214 11.158 ( 7.090 3.483 1.285) 8.003 11.238 ( 6.718 1.266 1.540) 7.007 11.428 ( -4.275 6.518 6.131) 9.917 11.703 ( -5.498 -0.221 4.680) 7.224 12.039 ( -0.002 8.162 -2.567) 8.556 12.194 ( -0.344 5.180 -4.847) 7.102 13.595 ( -1.084 0.757 5.306) 5.468 13.715 ( 2.819 1.175 -3.344) 4.528 13.980 ( -4.019 -3.839 5.707) 7.966 14.106 ( -0.977 -8.798 -2.867) 9.305 14.745 ( 6.765 5.944 -2.985) 9.487 14.798 ( -2.801 6.983 4.365) 8.699 14.915 ( 3.430 -0.589 2.217) 4.127 15.043 ( 1.365 -1.908 -2.892) 3.724======================= Grid point 355 (192/205) =======================q-point: ( 0.44 0.33 -0.56)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.643 ( -2.615 2.577 -7.212) 8.093 3.650 ( -4.997 2.791 -6.887) 8.955 3.812 ( -3.725 -0.211 -0.552) 3.772 3.840 ( -0.350 -0.280 -5.509) 5.527 4.581 ( 6.623 11.987 9.521) 16.679 4.847 ( -2.007 4.503 -2.560) 5.555 4.999 ( 4.191 7.639 10.634) 13.748 5.188 ( 2.723 5.940 -2.326) 6.936 5.332 ( 3.729 3.659 1.818) 5.532 5.382 ( -1.161 2.350 1.961) 3.274 6.217 ( 4.123 5.626 9.086) 11.455 6.306 ( 1.785 3.001 3.874) 5.215 7.614 ( -2.457 -8.747 -1.720) 9.247 7.664 ( -2.129 -10.035 -5.239) 11.519 7.927 ( 3.455 -8.508 -2.439) 9.501 7.942 ( -3.795 -9.007 1.659) 9.914 9.276 ( -1.156 -2.291 -1.519) 2.982 9.340 ( -1.040 -4.016 -5.135) 6.602 9.678 ( -2.080 2.074 -0.792) 3.042 9.763 ( -3.382 -0.208 -6.311) 7.163 10.670 ( -2.104 0.081 0.874) 2.280 10.677 ( 1.261 -0.126 -1.870) 2.259 11.276 ( 1.558 4.087 3.620) 5.678 11.336 ( 1.663 3.052 -0.112) 3.477 11.439 ( 1.246 5.046 7.341) 8.995 11.627 ( -2.453 1.305 -1.269) 3.054 12.030 ( -1.075 6.664 1.902) 7.014 12.151 ( 0.931 4.776 -6.644) 8.235 13.612 ( -1.779 0.730 6.055) 6.353 13.736 ( 2.737 -0.647 -5.311) 6.009 13.964 ( -2.073 -4.627 5.781) 7.690 14.074 ( 0.027 -6.764 -3.210) 7.487 14.758 ( -4.082 6.565 4.787) 9.092 14.828 ( 4.896 5.391 -5.453) 9.098 14.988 ( 1.552 0.002 2.986) 3.365 15.049 ( 0.715 -0.789 -1.594) 1.917======================= Grid point 356 (193/205) =======================q-point: (-0.44 0.33 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.422 ( -12.671 5.578 8.236) 16.109 3.626 ( -11.686 4.533 7.897) 14.814 3.673 ( 3.648 -1.464 -2.517) 4.668 3.936 ( 8.240 -4.446 -6.035) 11.139 4.729 ( -2.025 8.544 -0.261) 8.784 4.773 ( 2.455 7.436 -0.053) 7.831 5.053 ( -6.747 10.753 9.161) 15.655 5.157 ( -4.045 5.197 -3.136) 7.294 5.318 ( -5.415 2.710 3.283) 6.888 5.403 ( 0.990 2.994 0.075) 3.155 6.296 ( -1.542 4.128 3.116) 5.396 6.331 ( -0.031 3.633 -0.088) 3.634 7.600 ( 1.481 -9.170 0.380) 9.297 7.632 ( 2.284 -9.966 -3.060) 10.673 7.906 ( 0.017 -7.354 -0.585) 7.377 8.014 ( 7.977 -10.426 -5.001) 14.048 9.269 ( -0.100 -2.736 1.601) 3.172 9.286 ( -1.044 -3.289 -2.514) 4.269 9.654 ( -0.936 1.740 2.059) 2.853 9.711 ( 1.872 0.482 -2.038) 2.809 10.650 ( -0.542 0.596 0.738) 1.092 10.700 ( 2.684 -0.726 -2.093) 3.480 11.240 ( -6.550 3.936 5.043) 9.155 11.343 ( -3.760 2.002 1.820) 4.632 11.493 ( 0.651 5.880 2.257) 6.332 11.660 ( 7.782 2.951 -4.813) 9.614 12.008 ( -3.543 6.103 4.094) 8.159 12.148 ( 3.917 3.977 -6.502) 8.570 13.612 ( -2.987 0.969 5.800) 6.596 13.745 ( 2.831 -0.918 -5.977) 6.677 13.984 ( -0.431 -6.133 5.463) 8.224 14.062 ( 1.638 -4.229 -3.714) 5.862 14.712 ( -4.579 6.412 5.147) 9.412 14.870 ( 4.225 4.580 -5.790) 8.506 15.002 ( -2.623 -1.730 2.203) 3.837 15.041 ( -0.277 1.308 -1.110) 1.738======================= Grid point 357 (194/205) =======================q-point: (-0.33 0.33 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.261 ( -14.154 10.975 15.399) 23.620 3.494 ( -9.145 8.413 14.673) 19.228 3.797 ( 6.768 -5.414 6.881) 11.067 4.041 ( 5.888 -8.938 -2.703) 11.039 4.578 ( -6.020 11.725 -9.012) 15.966 4.864 ( 2.302 4.888 1.873) 5.718 4.898 ( -13.058 10.071 1.253) 16.538 4.998 ( -9.988 10.943 2.881) 15.094 5.212 ( -7.663 -0.933 2.070) 7.992 5.392 ( -2.030 1.756 0.514) 2.733 6.220 ( -5.034 4.270 -4.367) 7.915 6.293 ( -3.500 3.055 -2.538) 5.294 7.667 ( 4.600 -8.632 0.850) 9.818 7.703 ( 5.730 -9.383 0.420) 11.002 7.931 ( 3.514 -5.567 -2.459) 7.028 8.139 ( 9.171 -11.547 -7.578) 16.579 9.282 ( 0.801 -3.251 2.579) 4.226 9.296 ( 1.441 -3.530 3.133) 4.935 9.673 ( 0.762 2.018 3.129) 3.801 9.790 ( 4.776 -0.605 3.492) 5.947 10.660 ( 1.091 1.433 0.507) 1.871 10.746 ( 3.595 -0.885 -2.147) 4.280 11.136 ( -7.009 3.306 3.034) 8.322 11.233 ( -7.764 0.759 2.024) 8.059 11.526 ( 2.494 7.465 -2.140) 8.157 11.780 ( 6.149 1.909 -2.592) 6.940 11.975 ( -1.887 7.233 3.249) 8.151 12.183 ( 3.568 3.470 -4.451) 6.677 13.587 ( -3.636 1.480 4.911) 6.287 13.752 ( 2.409 0.430 -5.829) 6.322 14.025 ( 0.401 -7.887 5.080) 9.390 14.082 ( 3.394 -1.905 -4.058) 5.623 14.651 ( -5.990 6.119 5.003) 9.918 14.899 ( 0.588 5.782 -3.779) 6.933 14.939 ( -2.108 -4.893 -0.773) 5.384 15.019 ( -1.263 1.649 -0.530) 2.144======================= Grid point 358 (195/205) =======================q-point: (-0.22 0.33 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.114 ( -12.820 17.477 17.602) 27.922 3.501 ( -4.717 10.973 20.383) 23.625 4.012 ( 6.730 -6.386 9.682) 13.409 4.116 ( 2.041 -10.895 2.497) 11.362 4.372 ( -7.564 13.131 -10.648) 18.521 4.616 ( -10.779 9.495 -5.200) 15.277 4.850 ( -6.664 13.250 8.816) 17.254 4.916 ( -1.554 4.049 2.428) 4.970 5.062 ( -7.772 -5.053 -0.547) 9.286 5.350 ( -2.329 0.428 0.927) 2.543 6.046 ( -7.098 4.700 -9.906) 13.062 6.154 ( -7.432 2.523 -5.987) 9.871 7.777 ( 5.499 -7.366 1.296) 9.283 7.839 ( 6.599 -8.845 2.521) 11.320 7.989 ( 4.522 -4.240 -3.714) 7.226 8.232 ( 6.592 -11.040 -8.889) 15.632 9.338 ( 1.559 -2.989 5.656) 6.584 9.392 ( 5.215 -4.907 3.546) 7.991 9.730 ( 2.276 1.406 4.664) 5.376 9.916 ( 4.000 -2.825 5.394) 7.285 10.697 ( 2.163 2.284 0.388) 3.170 10.803 ( 3.782 -0.858 -2.034) 4.379 11.019 ( -6.383 3.023 0.685) 7.096 11.104 ( -6.315 0.255 0.956) 6.392 11.558 ( 2.494 7.795 -1.842) 8.389 11.810 ( -2.257 0.936 0.856) 2.589 12.022 ( 4.905 7.919 0.266) 9.319 12.209 ( 1.945 3.899 -3.154) 5.379 13.554 ( -3.333 2.156 4.822) 6.245 13.745 ( 1.382 1.699 -6.000) 6.388 14.074 ( 0.724 -7.785 4.814) 9.181 14.131 ( 4.746 -1.241 -3.923) 6.281 14.553 ( -7.278 6.196 3.596) 10.213 14.789 ( -7.575 -1.055 -0.330) 7.655 14.957 ( 1.869 -0.312 -1.536) 2.439 14.999 ( 0.942 1.434 -2.544) 3.068======================= Grid point 359 (196/205) =======================q-point: (-0.11 0.33 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.083 ( -3.381 21.539 18.274) 28.448 3.591 ( -2.681 13.476 20.252) 24.473 3.930 ( -12.175 9.560 -10.084) 18.475 4.149 ( -0.844 8.603 -9.093) 12.546 4.341 ( 5.405 -9.785 16.464) 19.900 4.510 ( 1.583 0.387 -0.151) 1.637 4.787 ( -6.946 4.961 2.405) 8.868 4.909 ( -3.078 1.002 8.431) 9.031 4.963 ( 0.177 -0.984 0.579) 1.155 5.343 ( 1.176 0.799 1.850) 2.333 5.806 ( -8.088 4.888 -13.033) 16.099 5.921 ( -10.676 2.557 -8.309) 13.768 7.885 ( 4.150 -6.048 1.745) 7.540 7.978 ( 5.070 -8.190 3.138) 10.130 8.035 ( 3.095 -3.999 -4.253) 6.608 8.254 ( 2.587 -9.795 -8.486) 13.215 9.422 ( 2.439 -2.293 5.307) 6.275 9.505 ( 3.626 -4.144 1.213) 5.638 9.841 ( 5.030 -2.142 5.390) 7.678 10.005 ( 0.948 -5.106 4.192) 6.674 10.744 ( 2.185 2.655 0.552) 3.483 10.850 ( 1.384 -1.247 -1.325) 2.287 10.919 ( -2.387 3.615 -1.168) 4.486 11.005 ( -4.444 0.409 0.127) 4.465 11.601 ( 2.896 6.877 -0.210) 7.465 11.742 ( -5.460 2.518 2.492) 6.509 12.123 ( 5.231 6.446 -1.209) 8.389 12.211 ( 0.591 5.106 -2.543) 5.735 13.538 ( -2.294 2.670 5.522) 6.548 13.714 ( 0.304 2.227 -6.010) 6.416 14.123 ( -0.041 -6.628 5.381) 8.537 14.199 ( 4.986 -1.576 -3.776) 6.450 14.453 ( -3.975 6.244 1.778) 7.612 14.628 ( -8.333 -2.485 -0.378) 8.704 14.961 ( -1.767 1.160 3.143) 3.787 15.020 ( 4.004 -0.574 -6.134) 7.348======================= Grid point 360 (197/205) =======================q-point: ( 0.00 0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.651 ( 5.726 16.477 11.128) 20.690 3.784 ( -2.328 4.107 0.181) 4.725 4.043 ( -0.437 12.249 9.431) 15.465 4.245 ( 1.126 8.079 -7.617) 11.160 4.281 ( 4.558 -13.902 16.191) 21.822 4.491 ( -2.060 -13.158 -2.656) 13.581 4.635 ( -0.537 3.665 -3.337) 4.985 4.714 ( -0.994 -4.415 -10.076) 11.046 5.298 ( 4.024 9.019 13.845) 17.006 5.415 ( 3.393 -2.755 5.654) 7.147 5.654 ( -7.304 3.103 -6.222) 10.084 5.683 ( -8.864 0.314 -6.798) 11.175 7.896 ( 1.561 -0.459 2.999) 3.412 7.943 ( 1.885 -5.174 3.723) 6.648 7.995 ( -0.115 0.729 -6.508) 6.549 8.059 ( -0.645 -5.778 -7.423) 9.429 9.479 ( 1.785 -0.008 1.607) 2.402 9.498 ( 1.252 -1.852 -0.226) 2.247 9.907 ( 1.569 -1.325 2.690) 3.385 9.925 ( 0.139 -3.100 1.102) 3.293 10.820 ( 0.195 1.217 1.189) 1.713 10.832 ( -0.261 -0.003 0.138) 0.296 10.949 ( -0.748 1.118 -0.714) 1.523 10.958 ( 0.707 0.214 -1.467) 1.642 11.712 ( -4.125 2.270 3.657) 5.962 11.723 ( -0.908 1.250 2.742) 3.147 12.267 ( 1.636 3.193 -2.586) 4.422 12.286 ( 2.976 1.421 -4.368) 5.473 13.646 ( -1.682 6.846 5.473) 8.925 13.730 ( -0.001 0.785 -2.159) 2.298 14.019 ( -2.355 -2.888 4.235) 5.641 14.105 ( -0.633 -9.258 -3.578) 9.945 14.523 ( 0.942 1.993 0.544) 2.271 14.525 ( 0.514 1.830 0.332) 1.929 14.985 ( -0.775 2.170 0.421) 2.342 15.020 ( 1.217 -1.390 -2.966) 3.495======================= Grid point 361 (198/205) =======================q-point: ( 0.11 0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.722 ( 0.480 12.679 -7.459) 14.718 3.838 ( 5.225 2.229 4.004) 6.950 4.152 ( 4.294 13.709 9.955) 17.478 4.232 ( 3.643 11.290 -12.055) 16.913 4.405 ( 0.102 -11.773 -4.958) 12.774 4.487 ( 4.020 -14.531 2.460) 15.276 4.632 ( 1.075 2.463 -1.279) 2.976 4.707 ( 5.393 -3.829 3.087) 7.299 5.348 ( -5.110 4.355 -6.683) 9.473 5.381 ( -3.702 1.048 -0.240) 3.855 5.630 ( 5.153 7.660 14.298) 17.019 5.738 ( 7.893 -3.115 11.184) 14.039 7.901 ( -3.434 0.272 -3.303) 4.772 7.922 ( -2.008 -0.558 -0.313) 2.107 7.957 ( -3.913 -5.062 -7.239) 9.662 7.972 ( -1.790 -5.701 3.809) 7.086 9.480 ( -1.296 -1.150 -3.124) 3.572 9.482 ( -1.450 -1.260 -2.104) 2.849 9.903 ( -0.908 1.110 -1.273) 1.917 9.959 ( 1.366 -4.593 -1.081) 4.912 10.799 ( -1.968 1.757 -0.300) 2.655 10.824 ( -1.700 -0.837 -0.031) 1.895 10.962 ( 3.065 2.832 0.553) 4.210 10.999 ( 3.715 -1.133 -0.016) 3.884 11.657 ( -4.928 4.722 5.191) 8.575 11.722 ( -2.440 -1.897 5.037) 5.910 12.258 ( 0.510 4.738 -4.496) 6.552 12.300 ( 1.983 0.667 -5.172) 5.579 13.645 ( -2.379 6.218 4.921) 8.279 13.723 ( 0.613 1.117 -1.028) 1.637 13.985 ( -4.824 -3.762 5.636) 8.318 14.047 ( -2.697 -8.175 -1.369) 8.716 14.584 ( 5.966 3.506 -0.914) 6.980 14.615 ( 6.785 0.009 0.057) 6.785 14.969 ( -1.377 2.833 0.757) 3.240 15.016 ( 0.501 -2.021 -2.458) 3.221======================= Grid point 362 (199/205) =======================q-point: ( 0.22 0.44 -0.56)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.709 ( 4.526 12.535 -9.103) 16.139 3.892 ( 0.604 -5.760 -2.079) 6.153 4.104 ( -1.748 6.516 -18.524) 19.714 4.239 ( -4.619 -6.769 -17.888) 19.676 4.415 ( 7.781 12.182 8.862) 16.955 4.609 ( 7.142 -2.100 8.127) 11.021 4.755 ( 5.061 0.959 7.596) 9.178 4.872 ( 7.947 -6.765 5.389) 11.746 5.264 ( 1.204 6.871 -3.313) 7.723 5.343 ( 0.604 -1.346 0.727) 1.645 5.894 ( 8.027 7.391 15.635) 19.066 5.992 ( 8.106 -2.549 11.897) 14.620 7.766 ( -5.663 -1.025 -5.843) 8.201 7.803 ( -5.975 -4.838 -6.582) 10.121 7.884 ( -3.399 -0.430 1.611) 3.785 7.937 ( -4.384 -5.893 3.397) 8.093 9.406 ( -3.092 -1.279 -4.646) 5.725 9.412 ( -2.158 -1.794 -5.105) 5.826 9.862 ( -1.514 3.251 -3.464) 4.986 9.940 ( -1.391 -4.663 -4.022) 6.313 10.749 ( -2.514 1.673 -0.863) 3.141 10.773 ( -2.956 -0.742 -0.457) 3.082 11.067 ( 6.503 2.542 1.452) 7.132 11.100 ( 6.212 -0.940 1.053) 6.370 11.603 ( -5.194 6.164 6.440) 10.317 11.702 ( -4.302 -3.936 6.711) 8.890 12.223 ( -0.014 5.934 -5.584) 8.148 12.284 ( 0.686 -0.050 -5.721) 5.762 13.638 ( -1.729 5.371 4.053) 6.947 13.729 ( 0.058 -0.691 0.116) 0.703 13.933 ( -4.231 -2.797 4.897) 7.050 13.994 ( -2.125 -6.604 -0.063) 6.938 14.716 ( 7.884 4.010 -1.298) 8.940 14.763 ( 7.699 -0.945 0.545) 7.775 14.943 ( -1.923 3.630 0.942) 4.214 15.003 ( -0.049 -2.532 -1.689) 3.044======================= Grid point 363 (200/205) =======================q-point: ( 0.33 0.44 -0.56)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.741 ( 5.200 8.352 -9.293) 13.534 3.855 ( -1.372 -2.418 -6.026) 6.636 3.910 ( -5.123 1.744 -11.752) 12.938 3.969 ( -7.263 -4.846 -15.877) 18.120 4.622 ( 5.890 11.631 8.775) 15.715 4.801 ( 4.233 -6.629 5.968) 9.873 4.932 ( 8.050 8.374 7.938) 14.069 5.071 ( 7.462 -5.947 5.572) 11.050 5.322 ( 5.331 6.504 -1.085) 8.479 5.392 ( 2.513 -0.747 1.629) 3.086 6.143 ( 6.464 5.561 11.833) 14.585 6.209 ( 5.672 -1.151 9.243) 10.905 7.612 ( -5.487 -2.051 -4.945) 7.666 7.639 ( -5.586 -4.776 -5.907) 9.429 7.829 ( -2.559 -1.424 0.426) 2.960 7.868 ( -4.533 -5.368 2.181) 7.357 9.313 ( -2.413 -0.314 -4.569) 5.176 9.334 ( -1.426 -2.489 -5.424) 6.136 9.792 ( -2.561 3.055 -4.012) 5.656 9.853 ( -3.458 -3.085 -5.402) 7.117 10.699 ( -1.719 0.965 -0.860) 2.150 10.714 ( -2.599 -0.455 -0.348) 2.661 11.218 ( 7.467 2.475 1.338) 7.980 11.247 ( 7.409 -0.493 1.514) 7.578 11.554 ( -4.945 6.370 6.901) 10.613 11.659 ( -5.332 -4.157 6.634) 9.472 12.180 ( -0.147 5.897 -5.065) 7.775 12.243 ( -0.166 -0.370 -5.869) 5.883 13.641 ( -1.275 4.168 4.058) 5.955 13.724 ( -0.553 -2.245 -0.040) 2.313 13.903 ( -2.329 -1.202 4.002) 4.784 13.963 ( -0.871 -5.810 -0.503) 5.897 14.842 ( 5.617 3.977 -1.961) 7.156 14.894 ( 3.104 -1.245 -0.696) 3.416 14.919 ( 0.524 4.803 2.793) 5.580 14.997 ( 0.666 -3.063 -0.471) 3.170======================= Grid point 364 (201/205) =======================q-point: ( 0.44 0.44 -0.56)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.684 ( -5.381 1.458 -7.930) 9.693 3.690 ( -4.914 0.983 -9.581) 10.812 3.816 ( -0.577 0.568 -1.053) 1.328 3.830 ( -1.197 -0.768 -2.541) 2.912 4.774 ( 3.991 7.719 5.613) 10.345 4.869 ( 0.756 -2.100 1.211) 2.540 5.130 ( 4.604 5.878 7.795) 10.794 5.213 ( 2.790 -2.377 3.636) 5.163 5.410 ( 3.292 3.487 0.061) 4.796 5.431 ( -0.465 1.404 1.803) 2.332 6.311 ( 3.087 3.604 7.212) 8.633 6.343 ( 2.221 0.349 5.362) 5.814 7.497 ( -2.724 -2.882 -3.076) 5.018 7.516 ( -2.605 -4.754 -4.374) 6.966 7.808 ( 1.083 -3.297 -1.465) 3.767 7.813 ( -1.578 -3.816 0.087) 4.131 9.254 ( -0.855 0.031 -2.497) 2.640 9.278 ( -0.867 -2.359 -3.820) 4.573 9.716 ( -2.255 1.906 -2.364) 3.783 9.748 ( -2.735 -1.317 -4.387) 5.335 10.673 ( -0.987 0.224 -0.132) 1.021 10.676 ( -0.196 -0.071 -0.973) 0.995 11.345 ( 2.066 2.698 3.457) 4.847 11.370 ( 2.286 0.233 2.237) 3.207 11.538 ( -0.225 4.926 4.912) 6.960 11.614 ( -1.633 -2.605 2.105) 3.726 12.144 ( -0.546 4.783 -2.495) 5.422 12.196 ( 0.222 -0.261 -5.862) 5.872 13.648 ( -1.312 3.082 4.275) 5.431 13.712 ( -0.087 -2.576 -0.806) 2.700 13.901 ( -0.824 -0.474 2.971) 3.119 13.954 ( 0.828 -5.181 -1.745) 5.529 14.863 ( -2.673 4.071 2.375) 5.419 14.898 ( 1.598 1.038 -3.103) 3.642 14.995 ( 1.864 1.161 2.261) 3.152 15.028 ( 2.436 -1.607 -1.072) 3.109======================= Grid point 365 (202/205) =======================q-point: (-0.44 0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.526 ( -6.995 5.129 4.487) 9.765 3.612 ( -0.964 -3.671 0.253) 3.804 3.739 ( -5.971 5.702 3.988) 9.169 3.844 ( 1.308 -5.161 -1.199) 5.457 4.851 ( -0.670 3.787 -0.462) 3.873 4.867 ( 1.158 2.111 -0.035) 2.408 5.194 ( -3.775 3.882 4.345) 6.943 5.219 ( -3.372 1.067 0.890) 3.647 5.388 ( -5.414 4.000 2.010) 7.025 5.434 ( -1.393 -0.243 1.255) 1.890 6.364 ( -1.586 2.571 2.521) 3.934 6.380 ( -0.761 1.058 1.332) 1.864 7.474 ( 1.867 -3.313 -0.692) 3.865 7.486 ( 2.194 -4.556 -1.951) 5.420 7.815 ( 2.724 -1.567 -2.175) 3.822 7.855 ( 5.580 -5.564 -3.775) 8.737 9.234 ( -0.458 -0.770 0.258) 0.932 9.240 ( -0.810 -1.411 -1.224) 2.036 9.686 ( -0.132 1.468 0.704) 1.634 9.708 ( 1.022 -0.747 -0.840) 1.519 10.666 ( 0.546 0.991 -0.110) 1.136 10.685 ( 1.749 -0.900 -1.159) 2.283 11.312 ( -6.969 3.231 5.099) 9.219 11.353 ( -6.295 -0.908 4.203) 7.624 11.604 ( 4.039 5.158 -0.363) 6.561 11.672 ( 6.571 -1.640 -2.597) 7.253 12.117 ( -1.117 4.820 -0.173) 4.951 12.177 ( 1.968 -1.018 -4.497) 5.013 13.651 ( -1.639 3.091 3.817) 5.177 13.716 ( 1.252 -2.819 -0.977) 3.236 13.912 ( 0.206 -0.067 1.481) 1.497 13.970 ( 2.660 -4.846 -2.873) 6.230 14.823 ( -3.864 4.865 3.595) 7.178 14.893 ( -0.849 -2.153 -0.039) 2.315 15.013 ( -0.402 2.446 -0.599) 2.551 15.048 ( 0.714 -0.742 -1.959) 2.213======================= Grid point 366 (203/205) =======================q-point: (-0.33 0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.475 ( -6.407 10.803 14.074) 18.863 3.643 ( -1.963 -0.606 9.226) 9.452 3.689 ( -1.571 1.747 10.112) 10.381 3.858 ( 0.253 -9.821 1.579) 9.951 4.772 ( -3.790 8.163 -5.797) 10.705 4.878 ( -0.829 -2.649 -1.810) 3.313 5.049 ( -9.615 5.874 -2.665) 11.578 5.124 ( -7.697 -1.274 0.900) 7.853 5.268 ( -8.461 7.943 3.605) 12.152 5.384 ( -4.711 -3.157 2.241) 6.098 6.297 ( -5.044 3.259 -2.695) 6.582 6.328 ( -4.341 0.237 -2.380) 4.956 7.550 ( 5.465 -2.981 0.948) 6.297 7.564 ( 5.885 -4.419 0.778) 7.400 7.878 ( 5.812 0.427 -4.098) 7.124 7.953 ( 7.825 -7.218 -5.852) 12.148 9.241 ( 0.732 -0.966 2.376) 2.667 9.246 ( 0.829 -1.509 2.762) 3.254 9.717 ( 1.552 2.500 2.995) 4.199 9.763 ( 3.114 -2.085 3.000) 4.801 10.692 ( 2.097 1.725 -0.142) 2.719 10.723 ( 2.993 -1.468 -1.150) 3.527 11.196 ( -7.718 2.644 3.110) 8.731 11.231 ( -8.220 -0.954 2.866) 8.758 11.667 ( 3.371 6.668 -2.524) 7.886 11.765 ( 4.210 -3.227 -2.333) 5.795 12.112 ( 0.882 6.332 0.373) 6.405 12.197 ( 2.599 -2.077 -2.441) 4.126 13.644 ( -1.775 4.435 3.141) 5.717 13.738 ( 1.292 -3.745 -0.566) 4.002 13.934 ( 1.568 0.693 -0.104) 1.717 14.011 ( 4.079 -5.063 -3.890) 7.576 14.760 ( -5.996 5.118 4.441) 9.048 14.850 ( -5.320 -4.437 2.984) 7.543 14.992 ( 0.570 3.614 -3.497) 5.061 15.032 ( -0.172 -0.556 -2.619) 2.683======================= Grid point 367 (204/205) =======================q-point: (-0.22 0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.463 ( -6.161 18.224 15.337) 24.603 3.687 ( -1.344 6.071 14.142) 15.449 3.829 ( 1.984 -11.667 17.832) 21.402 3.898 ( 2.079 -9.253 5.645) 11.037 4.611 ( -7.668 11.363 -8.354) 16.053 4.751 ( -8.811 0.474 -5.061) 10.172 4.890 ( -2.746 0.216 -5.384) 6.047 4.951 ( -9.036 -4.253 -1.881) 10.163 5.156 ( -6.179 11.480 6.814) 14.711 5.313 ( -3.982 -4.776 3.402) 7.088 6.134 ( -7.715 3.909 -7.297) 11.316 6.177 ( -7.725 -0.408 -6.126) 9.868 7.681 ( 6.362 -2.136 2.078) 7.026 7.704 ( 6.755 -4.532 2.485) 8.506 7.960 ( 5.982 1.466 -5.463) 8.233 8.048 ( 6.719 -7.503 -7.216) 12.390 9.302 ( 2.557 -0.567 4.848) 5.510 9.320 ( 3.833 -2.428 4.159) 6.155 9.777 ( 1.559 3.305 4.298) 5.641 9.849 ( 2.324 -3.903 4.457) 6.364 10.740 ( 2.718 2.146 0.034) 3.463 10.777 ( 3.187 -1.700 -0.872) 3.716 11.072 ( -6.354 2.245 0.937) 6.804 11.101 ( -6.434 -0.713 1.123) 6.570 11.698 ( 1.740 6.448 -1.743) 6.902 11.791 ( -0.179 -2.989 -0.550) 3.045 12.158 ( 3.553 5.878 -0.412) 6.881 12.232 ( 2.534 -1.488 -1.805) 3.449 13.634 ( -1.641 5.986 3.331) 7.044 13.751 ( 0.503 -3.837 -0.655) 3.925 13.970 ( 2.347 0.843 -0.603) 2.566 14.064 ( 4.675 -5.791 -4.833) 8.875 14.657 ( -7.582 4.570 3.778) 9.625 14.733 ( -8.499 -3.598 2.871) 9.666 14.990 ( 1.319 2.231 -2.592) 3.665 15.015 ( 0.650 -0.152 -2.754) 2.834======================= Grid point 368 (205/205) =======================q-point: (-0.11 0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.502 ( -0.707 21.040 13.854) 25.202 3.770 ( -1.359 0.843 11.806) 11.914 3.964 ( 1.905 -3.021 9.539) 10.186 4.066 ( 3.548 -10.846 19.016) 22.177 4.373 ( -8.098 12.731 -8.417) 17.277 4.575 ( -4.856 -2.697 -4.718) 7.288 4.755 ( -6.421 -1.931 -5.851) 8.899 4.810 ( -2.253 -3.580 -6.804) 8.012 5.158 ( -0.292 10.914 10.833) 15.380 5.310 ( 0.656 -4.651 5.667) 7.360 5.898 ( -9.301 4.103 -10.105) 14.334 5.945 ( -10.183 -0.475 -8.470) 13.254 7.811 ( 4.786 -1.241 2.751) 5.658 7.846 ( 5.144 -4.787 3.344) 7.782 8.010 ( 3.537 1.448 -6.239) 7.317 8.091 ( 3.333 -6.722 -7.581) 10.667 9.400 ( 3.443 0.223 4.337) 5.542 9.432 ( 4.107 -3.001 2.959) 5.884 9.841 ( 1.749 2.018 4.269) 5.035 9.908 ( 0.405 -4.613 3.724) 5.942 10.789 ( 1.978 2.049 0.502) 2.892 10.823 ( 1.653 -1.558 -0.152) 2.276 10.978 ( -3.015 2.337 -0.760) 3.889 11.006 ( -3.688 -0.555 -0.324) 3.744 11.713 ( 0.472 4.454 0.345) 4.492 11.763 ( -2.890 -0.640 1.699) 3.413 12.226 ( 3.868 3.907 -1.654) 5.741 12.263 ( 2.325 0.272 -2.528) 3.445 13.635 ( -1.269 6.924 4.282) 8.239 13.747 ( -0.124 -1.841 -1.388) 2.309 14.009 ( 1.158 -0.694 1.069) 1.722 14.109 ( 3.499 -7.481 -5.077) 9.694 14.549 ( -5.050 3.566 2.210) 6.565 14.593 ( -7.074 -1.391 2.016) 7.486 14.993 ( 0.032 1.727 -0.440) 1.782 15.015 ( 1.582 -0.525 -3.255) 3.657=================== 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 3/26244 10.0 14249.054 13309.245 15281.862 0.000 3183.974 0.000 3/26244 20.0 6913.075 6603.933 7524.317 0.000 -97.101 0.000 3/26244 30.0 2824.876 3013.096 3106.457 0.000 -181.829 0.000 3/26244 40.0 1542.940 1754.707 1723.525 0.000 -121.844 0.000 3/26244 50.0 1013.784 1184.251 1145.777 0.000 -83.745 0.000 3/26244 60.0 717.263 846.957 817.005 0.000 -54.954 0.000 3/26244 70.0 527.904 626.916 604.473 0.000 -34.888 0.000 3/26244 80.0 401.291 478.388 461.246 0.000 -21.968 0.000 3/26244 90.0 314.323 375.752 362.371 0.000 -13.898 0.000 3/26244 100.0 253.070 303.128 292.484 0.000 -8.857 0.000 3/26244 110.0 208.824 250.479 241.857 0.000 -5.665 0.000 3/26244 120.0 176.058 211.384 204.275 0.000 -3.607 0.000 3/26244 130.0 151.214 181.685 175.720 0.000 -2.253 0.000 3/26244 140.0 131.961 158.638 153.550 0.000 -1.347 0.000 3/26244 150.0 116.740 140.402 135.994 0.000 -0.730 0.000 3/26244 160.0 104.488 125.715 121.841 0.000 -0.305 0.000 3/26244 170.0 94.465 113.695 110.247 0.000 -0.008 0.000 3/26244 180.0 86.144 103.715 100.612 0.000 0.200 0.000 3/26244 190.0 79.146 95.320 92.500 0.000 0.348 0.000 3/26244 200.0 73.191 88.176 85.590 0.000 0.451 0.000 3/26244 210.0 68.071 82.032 79.643 0.000 0.524 0.000 3/26244 220.0 63.625 76.698 74.477 0.000 0.575 0.000 3/26244 230.0 59.733 72.028 69.950 0.000 0.609 0.000 3/26244 240.0 56.300 67.906 65.953 0.000 0.631 0.000 3/26244 250.0 53.248 64.244 62.399 0.000 0.645 0.000 3/26244 260.0 50.520 60.968 59.220 0.000 0.652 0.000 3/26244 270.0 48.067 58.021 56.359 0.000 0.654 0.000 3/26244 280.0 45.848 55.357 53.772 0.000 0.653 0.000 3/26244 290.0 43.833 52.936 51.420 0.000 0.649 0.000 3/26244 300.0 41.994 50.726 49.273 0.000 0.643 0.000 3/26244 310.0 40.309 48.701 47.305 0.000 0.636 0.000 3/26244 320.0 38.759 46.838 45.494 0.000 0.627 0.000 3/26244 330.0 37.329 45.118 43.822 0.000 0.618 0.000 3/26244 340.0 36.005 43.525 42.274 0.000 0.609 0.000 3/26244 350.0 34.775 42.046 40.836 0.000 0.599 0.000 3/26244 360.0 33.630 40.668 39.497 0.000 0.588 0.000 3/26244 370.0 32.561 39.381 38.246 0.000 0.578 0.000 3/26244 380.0 31.561 38.177 37.075 0.000 0.568 0.000 3/26244 390.0 30.623 37.047 35.977 0.000 0.558 0.000 3/26244 400.0 29.741 35.985 34.944 0.000 0.548 0.000 3/26244 410.0 28.910 34.985 33.971 0.000 0.538 0.000 3/26244 420.0 28.127 34.040 33.054 0.000 0.528 0.000 3/26244 430.0 27.386 33.148 32.186 0.000 0.519 0.000 3/26244 440.0 26.685 32.302 31.364 0.000 0.510 0.000 3/26244 450.0 26.020 31.501 30.585 0.000 0.501 0.000 3/26244 460.0 25.389 30.739 29.845 0.000 0.492 0.000 3/26244 470.0 24.789 30.015 29.141 0.000 0.483 0.000 3/26244 480.0 24.217 29.326 28.471 0.000 0.475 0.000 3/26244 490.0 23.672 28.668 27.832 0.000 0.467 0.000 3/26244 500.0 23.152 28.040 27.221 0.000 0.459 0.000 3/26244 510.0 22.655 27.440 26.638 0.000 0.451 0.000 3/26244 520.0 22.179 26.866 26.081 0.000 0.444 0.000 3/26244 530.0 21.724 26.317 25.546 0.000 0.437 0.000 3/26244 540.0 21.288 25.790 25.034 0.000 0.430 0.000 3/26244 550.0 20.869 25.284 24.543 0.000 0.423 0.000 3/26244 560.0 20.467 24.798 24.071 0.000 0.416 0.000 3/26244 570.0 20.081 24.332 23.617 0.000 0.410 0.000 3/26244 580.0 19.709 23.883 23.181 0.000 0.403 0.000 3/26244 590.0 19.351 23.450 22.761 0.000 0.397 0.000 3/26244 600.0 19.006 23.034 22.356 0.000 0.391 0.000 3/26244 610.0 18.674 22.632 21.966 0.000 0.385 0.000 3/26244 620.0 18.354 22.244 21.590 0.000 0.380 0.000 3/26244 630.0 18.044 21.870 21.226 0.000 0.374 0.000 3/26244 640.0 17.745 21.509 20.875 0.000 0.369 0.000 3/26244 650.0 17.456 21.159 20.536 0.000 0.364 0.000 3/26244 660.0 17.177 20.821 20.207 0.000 0.359 0.000 3/26244 670.0 16.906 20.494 19.890 0.000 0.354 0.000 3/26244 680.0 16.644 20.177 19.582 0.000 0.349 0.000 3/26244 690.0 16.390 19.870 19.284 0.000 0.344 0.000 3/26244 700.0 16.144 19.573 18.995 0.000 0.340 0.000 3/26244 710.0 15.906 19.284 18.715 0.000 0.335 0.000 3/26244 720.0 15.674 19.004 18.443 0.000 0.331 0.000 3/26244 730.0 15.450 18.732 18.179 0.000 0.327 0.000 3/26244 740.0 15.232 18.468 17.922 0.000 0.322 0.000 3/26244 750.0 15.020 18.212 17.673 0.000 0.318 0.000 3/26244 760.0 14.814 17.962 17.431 0.000 0.314 0.000 3/26244 770.0 14.613 17.720 17.195 0.000 0.311 0.000 3/26244 780.0 14.418 17.484 16.966 0.000 0.307 0.000 3/26244 790.0 14.229 17.254 16.743 0.000 0.303 0.000 3/26244 800.0 14.044 17.031 16.526 0.000 0.300 0.000 3/26244 810.0 13.864 16.813 16.315 0.000 0.296 0.000 3/26244 820.0 13.689 16.601 16.109 0.000 0.293 0.000 3/26244 830.0 13.518 16.394 15.908 0.000 0.289 0.000 3/26244 840.0 13.351 16.192 15.712 0.000 0.286 0.000 3/26244 850.0 13.189 15.996 15.521 0.000 0.283 0.000 3/26244 860.0 13.030 15.804 15.335 0.000 0.280 0.000 3/26244 870.0 12.876 15.617 15.153 0.000 0.277 0.000 3/26244 880.0 12.725 15.434 14.976 0.000 0.274 0.000 3/26244 890.0 12.578 15.255 14.802 0.000 0.271 0.000 3/26244 900.0 12.434 15.081 14.633 0.000 0.268 0.000 3/26244 910.0 12.293 14.910 14.468 0.000 0.265 0.000 3/26244 920.0 12.155 14.744 14.306 0.000 0.262 0.000 3/26244 930.0 12.021 14.581 14.148 0.000 0.259 0.000 3/26244 940.0 11.890 14.422 13.994 0.000 0.257 0.000 3/26244 950.0 11.761 14.266 13.842 0.000 0.254 0.000 3/26244 960.0 11.635 14.114 13.694 0.000 0.252 0.000 3/26244 970.0 11.512 13.965 13.550 0.000 0.249 0.000 3/26244 980.0 11.392 13.819 13.408 0.000 0.247 0.000 3/26244 990.0 11.274 13.676 13.269 0.000 0.244 0.000 3/26244 1000.0 11.158 13.536 13.134 0.000 0.242 0.000 3/26244Thermal conductivity related properties were written into "kappa-m999.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:40:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|