----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:02:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R3 (146) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.585816424992886 1.492921809044595 4.624863503333329 b -2.585816424992881 1.492921809044595 4.624863503333329 c 0.000000000000002 -2.985843618089195 4.624863503333329 Atomic positions (fractional): *1 Li 0.27626872599049 0.27626872599049 0.27626872599049 6.941 *2 Li 0.78650642230863 0.78650642230864 0.78650642230863 6.941 *3 O 0.24047755458581 0.86370339262344 0.60750578412667 15.999 *4 O 0.38996294632566 0.71691860612866 0.12388361837017 15.999 5 O 0.71691860612866 0.12388361837017 0.38996294632566 15.999 6 O 0.12388361837017 0.38996294632567 0.71691860612866 15.999 7 O 0.60750578412667 0.24047755458581 0.86370339262344 15.999 8 O 0.86370339262344 0.60750578412667 0.24047755458581 15.999 *9 Zr 0.00048136051452 0.00048136051452 0.00048136051452 91.224 *10 Te 0.49629161902593 0.49629161902593 0.49629161902593 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.171632849985767 0.000000000000000 0.000000000000000 b -2.585816424992883 4.478765427133791 0.000000000000000 c 0.000000000000000 0.000000000000000 13.874590510000001 Atomic positions (fractional): *1 Li 0.33333333333333 0.66666666666667 0.94293539265716 6.941 > 1 *2 Li 0.00000000000000 0.00000000000000 0.78650642230863 6.941 > 2 3 Li 0.00000000000000 0.00000000000000 0.27626872599049 6.941 > 1 4 Li 0.66666666666667 0.33333333333333 0.11983975564197 6.941 > 2 5 Li 0.66666666666667 0.33333333333333 0.60960205932382 6.941 > 1 6 Li 0.33333333333333 0.66666666666667 0.45317308897530 6.941 > 2 *7 O 0.33658197747384 0.29638979298530 0.90389557711197 15.999 > 3 *8 O 0.64637455605083 0.61970477190466 0.74358839027483 15.999 > 4 9 O 0.97333021585383 0.35362544394917 0.74358839027483 15.999 > 5 10 O 0.38029522809534 0.02666978414617 0.74358839027483 15.999 > 6 11 O 0.70361020701470 0.04019218448854 0.90389557711197 15.999 > 7 12 O 0.95980781551146 0.66341802252616 0.90389557711197 15.999 > 8 13 O 0.00324864414050 0.62972312631864 0.23722891044531 15.999 > 3 14 O 0.31304122271750 0.95303810523800 0.07692172360816 15.999 > 4 15 O 0.63999688252050 0.68695877728250 0.07692172360816 15.999 > 5 16 O 0.04696189476200 0.36000311747950 0.07692172360816 15.999 > 6 17 O 0.37027687368136 0.37352551782187 0.23722891044531 15.999 > 7 18 O 0.62647448217813 0.99675135585950 0.23722891044531 15.999 > 8 19 O 0.66991531080717 0.96305645965197 0.57056224377864 15.999 > 3 20 O 0.97970788938417 0.28637143857133 0.41025505694150 15.999 > 4 21 O 0.30666354918716 0.02029211061583 0.41025505694150 15.999 > 5 22 O 0.71362856142867 0.69333645081284 0.41025505694150 15.999 > 6 23 O 0.03694354034803 0.70685885115520 0.57056224377864 15.999 > 7 24 O 0.29314114884480 0.33008468919283 0.57056224377864 15.999 > 8 *25 Zr 0.33333333333333 0.66666666666667 0.66714802718118 91.224 > 9 26 Zr 0.00000000000000 0.00000000000000 0.00048136051452 91.224 > 9 27 Zr 0.66666666666667 0.33333333333333 0.33381469384785 91.224 > 9 *28 Te 0.66666666666667 0.33333333333333 0.82962495235926 127.600 > 10 29 Te 0.33333333333333 0.66666666666667 0.16295828569259 127.600 > 10 30 Te 0.00000000000000 0.00000000000000 0.49629161902593 127.600 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.343265699971534 0.000000000000000 0.000000000000000 b -5.171632849985766 8.957530854267581 0.000000000000000 c 0.000000000000000 0.000000000000000 13.874590510000001 Atomic positions (fractional): *1 Li 0.16666666666667 0.33333333333333 0.94293539265716 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.94293539265716 6.941 > 1 3 Li 0.16666666666667 0.83333333333333 0.94293539265716 6.941 > 1 4 Li 0.66666666666667 0.83333333333333 0.94293539265716 6.941 > 1 *5 Li 0.00000000000000 0.00000000000000 0.78650642230863 6.941 > 2 6 Li 0.50000000000000 0.00000000000000 0.78650642230863 6.941 > 2 7 Li 0.00000000000000 0.50000000000000 0.78650642230863 6.941 > 2 8 Li 0.50000000000000 0.50000000000000 0.78650642230863 6.941 > 2 9 Li 0.00000000000000 0.00000000000000 0.27626872599049 6.941 > 1 10 Li 0.50000000000000 0.00000000000000 0.27626872599049 6.941 > 1 11 Li 0.00000000000000 0.50000000000000 0.27626872599049 6.941 > 1 12 Li 0.50000000000000 0.50000000000000 0.27626872599049 6.941 > 1 13 Li 0.33333333333333 0.16666666666667 0.11983975564197 6.941 > 2 14 Li 0.83333333333333 0.16666666666667 0.11983975564197 6.941 > 2 15 Li 0.33333333333333 0.66666666666667 0.11983975564197 6.941 > 2 16 Li 0.83333333333333 0.66666666666667 0.11983975564197 6.941 > 2 17 Li 0.33333333333333 0.16666666666667 0.60960205932382 6.941 > 1 18 Li 0.83333333333333 0.16666666666667 0.60960205932382 6.941 > 1 19 Li 0.33333333333333 0.66666666666667 0.60960205932382 6.941 > 1 20 Li 0.83333333333333 0.66666666666667 0.60960205932382 6.941 > 1 21 Li 0.16666666666667 0.33333333333333 0.45317308897530 6.941 > 2 22 Li 0.66666666666667 0.33333333333333 0.45317308897530 6.941 > 2 23 Li 0.16666666666667 0.83333333333333 0.45317308897530 6.941 > 2 24 Li 0.66666666666667 0.83333333333333 0.45317308897530 6.941 > 2 *25 O 0.16829098873692 0.14819489649265 0.90389557711197 15.999 > 3 26 O 0.66829098873692 0.14819489649265 0.90389557711197 15.999 > 3 27 O 0.16829098873692 0.64819489649265 0.90389557711197 15.999 > 3 28 O 0.66829098873692 0.64819489649265 0.90389557711197 15.999 > 3 *29 O 0.32318727802542 0.30985238595233 0.74358839027483 15.999 > 4 30 O 0.82318727802542 0.30985238595233 0.74358839027483 15.999 > 4 31 O 0.32318727802542 0.80985238595233 0.74358839027483 15.999 > 4 32 O 0.82318727802542 0.80985238595233 0.74358839027483 15.999 > 4 33 O 0.48666510792691 0.17681272197458 0.74358839027483 15.999 > 5 34 O 0.98666510792691 0.17681272197458 0.74358839027483 15.999 > 5 35 O 0.48666510792691 0.67681272197458 0.74358839027483 15.999 > 5 36 O 0.98666510792691 0.67681272197458 0.74358839027483 15.999 > 5 37 O 0.19014761404767 0.01333489207309 0.74358839027483 15.999 > 6 38 O 0.69014761404767 0.01333489207309 0.74358839027483 15.999 > 6 39 O 0.19014761404767 0.51333489207309 0.74358839027483 15.999 > 6 40 O 0.69014761404767 0.51333489207309 0.74358839027483 15.999 > 6 41 O 0.35180510350735 0.02009609224427 0.90389557711197 15.999 > 7 42 O 0.85180510350735 0.02009609224427 0.90389557711197 15.999 > 7 43 O 0.35180510350735 0.52009609224427 0.90389557711197 15.999 > 7 44 O 0.85180510350735 0.52009609224427 0.90389557711197 15.999 > 7 45 O 0.47990390775573 0.33170901126308 0.90389557711197 15.999 > 8 46 O 0.97990390775573 0.33170901126308 0.90389557711197 15.999 > 8 47 O 0.47990390775573 0.83170901126308 0.90389557711197 15.999 > 8 48 O 0.97990390775573 0.83170901126308 0.90389557711197 15.999 > 8 49 O 0.00162432207025 0.31486156315932 0.23722891044531 15.999 > 3 50 O 0.50162432207025 0.31486156315932 0.23722891044531 15.999 > 3 51 O 0.00162432207025 0.81486156315932 0.23722891044531 15.999 > 3 52 O 0.50162432207025 0.81486156315932 0.23722891044531 15.999 > 3 53 O 0.15652061135875 0.47651905261900 0.07692172360816 15.999 > 4 54 O 0.65652061135875 0.47651905261900 0.07692172360816 15.999 > 4 55 O 0.15652061135875 0.97651905261900 0.07692172360816 15.999 > 4 56 O 0.65652061135875 0.97651905261900 0.07692172360816 15.999 > 4 57 O 0.31999844126025 0.34347938864125 0.07692172360816 15.999 > 5 58 O 0.81999844126025 0.34347938864125 0.07692172360816 15.999 > 5 59 O 0.31999844126025 0.84347938864125 0.07692172360816 15.999 > 5 60 O 0.81999844126025 0.84347938864125 0.07692172360816 15.999 > 5 61 O 0.02348094738100 0.18000155873975 0.07692172360816 15.999 > 6 62 O 0.52348094738100 0.18000155873975 0.07692172360816 15.999 > 6 63 O 0.02348094738100 0.68000155873975 0.07692172360816 15.999 > 6 64 O 0.52348094738100 0.68000155873975 0.07692172360816 15.999 > 6 65 O 0.18513843684068 0.18676275891093 0.23722891044531 15.999 > 7 66 O 0.68513843684068 0.18676275891093 0.23722891044531 15.999 > 7 67 O 0.18513843684068 0.68676275891093 0.23722891044531 15.999 > 7 68 O 0.68513843684068 0.68676275891093 0.23722891044531 15.999 > 7 69 O 0.31323724108907 0.49837567792975 0.23722891044531 15.999 > 8 70 O 0.81323724108907 0.49837567792975 0.23722891044531 15.999 > 8 71 O 0.31323724108907 0.99837567792975 0.23722891044531 15.999 > 8 72 O 0.81323724108907 0.99837567792975 0.23722891044531 15.999 > 8 73 O 0.33495765540359 0.48152822982598 0.57056224377864 15.999 > 3 74 O 0.83495765540359 0.48152822982598 0.57056224377864 15.999 > 3 75 O 0.33495765540359 0.98152822982598 0.57056224377864 15.999 > 3 76 O 0.83495765540359 0.98152822982598 0.57056224377864 15.999 > 3 77 O 0.48985394469208 0.14318571928567 0.41025505694150 15.999 > 4 78 O 0.98985394469208 0.14318571928567 0.41025505694150 15.999 > 4 79 O 0.48985394469208 0.64318571928567 0.41025505694150 15.999 > 4 80 O 0.98985394469208 0.64318571928567 0.41025505694150 15.999 > 4 81 O 0.15333177459358 0.01014605530792 0.41025505694150 15.999 > 5 82 O 0.65333177459358 0.01014605530792 0.41025505694150 15.999 > 5 83 O 0.15333177459358 0.51014605530792 0.41025505694150 15.999 > 5 84 O 0.65333177459358 0.51014605530792 0.41025505694150 15.999 > 5 85 O 0.35681428071434 0.34666822540642 0.41025505694150 15.999 > 6 86 O 0.85681428071434 0.34666822540642 0.41025505694150 15.999 > 6 87 O 0.35681428071434 0.84666822540642 0.41025505694150 15.999 > 6 88 O 0.85681428071434 0.84666822540642 0.41025505694150 15.999 > 6 89 O 0.01847177017402 0.35342942557760 0.57056224377864 15.999 > 7 90 O 0.51847177017402 0.35342942557760 0.57056224377864 15.999 > 7 91 O 0.01847177017402 0.85342942557760 0.57056224377864 15.999 > 7 92 O 0.51847177017402 0.85342942557760 0.57056224377864 15.999 > 7 93 O 0.14657057442240 0.16504234459641 0.57056224377864 15.999 > 8 94 O 0.64657057442240 0.16504234459641 0.57056224377864 15.999 > 8 95 O 0.14657057442240 0.66504234459641 0.57056224377864 15.999 > 8 96 O 0.64657057442240 0.66504234459641 0.57056224377864 15.999 > 8 *97 Zr 0.16666666666667 0.33333333333333 0.66714802718118 91.224 > 9 98 Zr 0.66666666666667 0.33333333333333 0.66714802718118 91.224 > 9 99 Zr 0.16666666666667 0.83333333333333 0.66714802718118 91.224 > 9 100 Zr 0.66666666666667 0.83333333333333 0.66714802718118 91.224 > 9 101 Zr 0.00000000000000 0.00000000000000 0.00048136051452 91.224 > 9 102 Zr 0.50000000000000 0.00000000000000 0.00048136051452 91.224 > 9 103 Zr 0.00000000000000 0.50000000000000 0.00048136051452 91.224 > 9 104 Zr 0.50000000000000 0.50000000000000 0.00048136051452 91.224 > 9 105 Zr 0.33333333333333 0.16666666666667 0.33381469384785 91.224 > 9 106 Zr 0.83333333333333 0.16666666666667 0.33381469384785 91.224 > 9 107 Zr 0.33333333333333 0.66666666666667 0.33381469384785 91.224 > 9 108 Zr 0.83333333333333 0.66666666666667 0.33381469384785 91.224 > 9 *109 Te 0.33333333333333 0.16666666666667 0.82962495235926 127.600 > 10 110 Te 0.83333333333333 0.16666666666667 0.82962495235926 127.600 > 10 111 Te 0.33333333333333 0.66666666666667 0.82962495235926 127.600 > 10 112 Te 0.83333333333333 0.66666666666667 0.82962495235926 127.600 > 10 113 Te 0.16666666666667 0.33333333333333 0.16295828569259 127.600 > 10 114 Te 0.66666666666667 0.33333333333333 0.16295828569259 127.600 > 10 115 Te 0.16666666666667 0.83333333333333 0.16295828569259 127.600 > 10 116 Te 0.66666666666667 0.83333333333333 0.16295828569259 127.600 > 10 117 Te 0.00000000000000 0.00000000000000 0.49629161902593 127.600 > 10 118 Te 0.50000000000000 0.00000000000000 0.49629161902593 127.600 > 10 119 Te 0.00000000000000 0.50000000000000 0.49629161902593 127.600 > 10 120 Te 0.50000000000000 0.50000000000000 0.49629161902593 127.600 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2791257 0.0000023 0.0000000 -0.0000023 4.2791257 0.0000000 0.0000000 0.0000000 4.4805480 -------------------------- Born effective charges -------------------------- 1 Li 1.1215161 -0.0761875 -0.0000000 0.0761875 1.1215161 0.0000000 -0.0000000 0.0000000 1.0356950 2 Li 1.1112071 0.0863408 -0.0000000 -0.0863408 1.1112071 0.0000000 -0.0000000 0.0000000 1.0366535 3 O -2.4010113 -0.5352985 0.9693055 -0.5136755 -2.0176857 0.5269813 0.9235271 0.6004260 -2.4056443 4 O -2.7670318 0.5389679 -1.0411096 0.5200400 -1.8453761 0.4795735 -1.1613443 0.3669800 -2.3509774 5 O -2.5343539 -0.6543766 0.9358776 -0.6733046 -2.0780540 0.6618406 0.8984861 0.8222637 -2.3509774 6 O -1.6172262 0.1438006 0.1052319 0.1248726 -2.9951817 -1.1414141 0.2628582 -1.1892436 -2.3509774 7 O -2.5677361 0.4174169 -0.9410319 0.4390399 -1.8509609 0.5759526 -0.9817477 0.4995850 -2.4056443 8 O -1.6592980 0.0854471 -0.0282736 0.1070701 -2.7593990 -1.1029338 0.0582206 -1.1000110 -2.4056443 9 Zr 5.5392310 1.1267079 -0.0000000 -1.1267079 5.5392310 0.0000000 -0.0000000 0.0000000 5.8916700 10 Te 5.7747032 -1.1328186 -0.0000000 1.1328186 5.7747032 0.0000000 -0.0000000 0.0000000 6.3058467 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 7032/7032 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1820 Number of blocks in projector: 832 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 828 Use submatrix version of eigh solver. (1) Block: 500 / 828 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 828 / 828 (1) 317 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 768 / 768 (1) 260 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 224 Use standard eigh solver. Tree of FC basis block matrices: - (1820, 1791), data: False |-- (224, 218), data: True |-- (768, 760), data: False |-- (768, 8), data: (768, 16) @ (16, 8) |-- (268, 260), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (828, 813), data: False |-- (828, 11), data: (828, 26) @ (26, 11) |-- (328, 317), data: True |-- (500, 485), data: False |-- (500, 14), data: (500, 29) @ (29, 14) |-- (250, 235), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 400 - Time: 3.021 Solver_block: 200 / 400 - Time: 3.040 Solver_block: 300 / 400 - Time: 3.039 Solver_block: 400 / 400 - Time: 3.042 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.193 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 7032/7032 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1820 Number of blocks in projector: 832 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 828 Use submatrix version of eigh solver. (1) Block: 500 / 828 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 828 / 828 (1) 317 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 768 / 768 (1) 260 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 224 Use standard eigh solver. Tree of FC basis block matrices: - (1820, 1791), data: False |-- (224, 218), data: True |-- (768, 760), data: False |-- (768, 8), data: (768, 16) @ (16, 8) |-- (268, 260), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (828, 813), data: False |-- (828, 11), data: (828, 26) @ (26, 11) |-- (328, 317), data: True |-- (500, 485), data: False |-- (500, 14), data: (500, 29) @ (29, 14) |-- (250, 235), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:03:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:03:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R3 (146) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.585816424992886 1.492921809044595 4.624863503333329 b -2.585816424992881 1.492921809044595 4.624863503333329 c 0.000000000000002 -2.985843618089195 4.624863503333329 Atomic positions (fractional): 1 Li 0.27626872599049 0.27626872599049 0.27626872599049 6.941 2 Li 0.78650642230863 0.78650642230864 0.78650642230863 6.941 3 O 0.24047755458581 0.86370339262344 0.60750578412667 15.999 4 O 0.38996294632566 0.71691860612866 0.12388361837017 15.999 5 O 0.71691860612866 0.12388361837017 0.38996294632566 15.999 6 O 0.12388361837017 0.38996294632567 0.71691860612866 15.999 7 O 0.60750578412667 0.24047755458581 0.86370339262344 15.999 8 O 0.86370339262344 0.60750578412667 0.24047755458581 15.999 9 Zr 0.00048136051452 0.00048136051452 0.00048136051452 91.224 10 Te 0.49629161902593 0.49629161902593 0.49629161902593 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.343265699971534 0.000000000000000 0.000000000000000 b -5.171632849985766 8.957530854267581 0.000000000000000 c 0.000000000000000 0.000000000000000 13.874590510000001 Atomic positions (fractional): 1 Li 0.16666666666667 0.33333333333333 0.94293539265716 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.94293539265716 6.941 > 1 3 Li 0.16666666666667 0.83333333333333 0.94293539265716 6.941 > 1 4 Li 0.66666666666667 0.83333333333333 0.94293539265716 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.78650642230863 6.941 > 5 6 Li 0.50000000000000 0.00000000000000 0.78650642230863 6.941 > 5 7 Li 0.00000000000000 0.50000000000000 0.78650642230863 6.941 > 5 8 Li 0.50000000000000 0.50000000000000 0.78650642230863 6.941 > 5 9 Li 0.00000000000000 0.00000000000000 0.27626872599049 6.941 > 1 10 Li 0.50000000000000 0.00000000000000 0.27626872599049 6.941 > 1 11 Li 0.00000000000000 0.50000000000000 0.27626872599049 6.941 > 1 12 Li 0.50000000000000 0.50000000000000 0.27626872599049 6.941 > 1 13 Li 0.33333333333333 0.16666666666667 0.11983975564197 6.941 > 5 14 Li 0.83333333333333 0.16666666666667 0.11983975564197 6.941 > 5 15 Li 0.33333333333333 0.66666666666667 0.11983975564197 6.941 > 5 16 Li 0.83333333333333 0.66666666666667 0.11983975564197 6.941 > 5 17 Li 0.33333333333333 0.16666666666667 0.60960205932382 6.941 > 1 18 Li 0.83333333333333 0.16666666666667 0.60960205932382 6.941 > 1 19 Li 0.33333333333333 0.66666666666667 0.60960205932382 6.941 > 1 20 Li 0.83333333333333 0.66666666666667 0.60960205932382 6.941 > 1 21 Li 0.16666666666667 0.33333333333333 0.45317308897530 6.941 > 5 22 Li 0.66666666666667 0.33333333333333 0.45317308897530 6.941 > 5 23 Li 0.16666666666667 0.83333333333333 0.45317308897530 6.941 > 5 24 Li 0.66666666666667 0.83333333333333 0.45317308897530 6.941 > 5 25 O 0.16829098873692 0.14819489649265 0.90389557711197 15.999 > 25 26 O 0.66829098873692 0.14819489649265 0.90389557711197 15.999 > 25 27 O 0.16829098873692 0.64819489649265 0.90389557711197 15.999 > 25 28 O 0.66829098873692 0.64819489649265 0.90389557711197 15.999 > 25 29 O 0.32318727802542 0.30985238595233 0.74358839027483 15.999 > 29 30 O 0.82318727802542 0.30985238595233 0.74358839027483 15.999 > 29 31 O 0.32318727802542 0.80985238595233 0.74358839027483 15.999 > 29 32 O 0.82318727802542 0.80985238595233 0.74358839027483 15.999 > 29 33 O 0.48666510792691 0.17681272197458 0.74358839027483 15.999 > 33 34 O 0.98666510792691 0.17681272197458 0.74358839027483 15.999 > 33 35 O 0.48666510792691 0.67681272197458 0.74358839027483 15.999 > 33 36 O 0.98666510792691 0.67681272197458 0.74358839027483 15.999 > 33 37 O 0.19014761404767 0.01333489207309 0.74358839027483 15.999 > 37 38 O 0.69014761404767 0.01333489207309 0.74358839027483 15.999 > 37 39 O 0.19014761404767 0.51333489207309 0.74358839027483 15.999 > 37 40 O 0.69014761404767 0.51333489207309 0.74358839027483 15.999 > 37 41 O 0.35180510350735 0.02009609224427 0.90389557711197 15.999 > 41 42 O 0.85180510350735 0.02009609224427 0.90389557711197 15.999 > 41 43 O 0.35180510350735 0.52009609224427 0.90389557711197 15.999 > 41 44 O 0.85180510350735 0.52009609224427 0.90389557711197 15.999 > 41 45 O 0.47990390775573 0.33170901126308 0.90389557711197 15.999 > 45 46 O 0.97990390775573 0.33170901126308 0.90389557711197 15.999 > 45 47 O 0.47990390775573 0.83170901126308 0.90389557711197 15.999 > 45 48 O 0.97990390775573 0.83170901126308 0.90389557711197 15.999 > 45 49 O 0.00162432207025 0.31486156315932 0.23722891044531 15.999 > 25 50 O 0.50162432207025 0.31486156315932 0.23722891044531 15.999 > 25 51 O 0.00162432207025 0.81486156315932 0.23722891044531 15.999 > 25 52 O 0.50162432207025 0.81486156315932 0.23722891044531 15.999 > 25 53 O 0.15652061135875 0.47651905261900 0.07692172360816 15.999 > 29 54 O 0.65652061135875 0.47651905261900 0.07692172360816 15.999 > 29 55 O 0.15652061135875 0.97651905261900 0.07692172360816 15.999 > 29 56 O 0.65652061135875 0.97651905261900 0.07692172360816 15.999 > 29 57 O 0.31999844126025 0.34347938864125 0.07692172360816 15.999 > 33 58 O 0.81999844126025 0.34347938864125 0.07692172360816 15.999 > 33 59 O 0.31999844126025 0.84347938864125 0.07692172360816 15.999 > 33 60 O 0.81999844126025 0.84347938864125 0.07692172360816 15.999 > 33 61 O 0.02348094738100 0.18000155873975 0.07692172360816 15.999 > 37 62 O 0.52348094738100 0.18000155873975 0.07692172360816 15.999 > 37 63 O 0.02348094738100 0.68000155873975 0.07692172360816 15.999 > 37 64 O 0.52348094738100 0.68000155873975 0.07692172360816 15.999 > 37 65 O 0.18513843684068 0.18676275891093 0.23722891044531 15.999 > 41 66 O 0.68513843684068 0.18676275891093 0.23722891044531 15.999 > 41 67 O 0.18513843684068 0.68676275891093 0.23722891044531 15.999 > 41 68 O 0.68513843684068 0.68676275891093 0.23722891044531 15.999 > 41 69 O 0.31323724108907 0.49837567792975 0.23722891044531 15.999 > 45 70 O 0.81323724108907 0.49837567792975 0.23722891044531 15.999 > 45 71 O 0.31323724108907 0.99837567792975 0.23722891044531 15.999 > 45 72 O 0.81323724108907 0.99837567792975 0.23722891044531 15.999 > 45 73 O 0.33495765540359 0.48152822982598 0.57056224377864 15.999 > 25 74 O 0.83495765540359 0.48152822982598 0.57056224377864 15.999 > 25 75 O 0.33495765540359 0.98152822982598 0.57056224377864 15.999 > 25 76 O 0.83495765540359 0.98152822982598 0.57056224377864 15.999 > 25 77 O 0.48985394469208 0.14318571928567 0.41025505694150 15.999 > 29 78 O 0.98985394469208 0.14318571928567 0.41025505694150 15.999 > 29 79 O 0.48985394469208 0.64318571928567 0.41025505694150 15.999 > 29 80 O 0.98985394469208 0.64318571928567 0.41025505694150 15.999 > 29 81 O 0.15333177459358 0.01014605530792 0.41025505694150 15.999 > 33 82 O 0.65333177459358 0.01014605530792 0.41025505694150 15.999 > 33 83 O 0.15333177459358 0.51014605530792 0.41025505694150 15.999 > 33 84 O 0.65333177459358 0.51014605530792 0.41025505694150 15.999 > 33 85 O 0.35681428071434 0.34666822540642 0.41025505694150 15.999 > 37 86 O 0.85681428071434 0.34666822540642 0.41025505694150 15.999 > 37 87 O 0.35681428071434 0.84666822540642 0.41025505694150 15.999 > 37 88 O 0.85681428071434 0.84666822540642 0.41025505694150 15.999 > 37 89 O 0.01847177017402 0.35342942557760 0.57056224377864 15.999 > 41 90 O 0.51847177017402 0.35342942557760 0.57056224377864 15.999 > 41 91 O 0.01847177017402 0.85342942557760 0.57056224377864 15.999 > 41 92 O 0.51847177017402 0.85342942557760 0.57056224377864 15.999 > 41 93 O 0.14657057442240 0.16504234459641 0.57056224377864 15.999 > 45 94 O 0.64657057442240 0.16504234459641 0.57056224377864 15.999 > 45 95 O 0.14657057442240 0.66504234459641 0.57056224377864 15.999 > 45 96 O 0.64657057442240 0.66504234459641 0.57056224377864 15.999 > 45 97 Zr 0.16666666666667 0.33333333333333 0.66714802718118 91.224 > 97 98 Zr 0.66666666666667 0.33333333333333 0.66714802718118 91.224 > 97 99 Zr 0.16666666666667 0.83333333333333 0.66714802718118 91.224 > 97 100 Zr 0.66666666666667 0.83333333333333 0.66714802718118 91.224 > 97 101 Zr 0.00000000000000 0.00000000000000 0.00048136051452 91.224 > 97 102 Zr 0.50000000000000 0.00000000000000 0.00048136051452 91.224 > 97 103 Zr 0.00000000000000 0.50000000000000 0.00048136051452 91.224 > 97 104 Zr 0.50000000000000 0.50000000000000 0.00048136051452 91.224 > 97 105 Zr 0.33333333333333 0.16666666666667 0.33381469384785 91.224 > 97 106 Zr 0.83333333333333 0.16666666666667 0.33381469384785 91.224 > 97 107 Zr 0.33333333333333 0.66666666666667 0.33381469384785 91.224 > 97 108 Zr 0.83333333333333 0.66666666666667 0.33381469384785 91.224 > 97 109 Te 0.33333333333333 0.16666666666667 0.82962495235926 127.600 > 109 110 Te 0.83333333333333 0.16666666666667 0.82962495235926 127.600 > 109 111 Te 0.33333333333333 0.66666666666667 0.82962495235926 127.600 > 109 112 Te 0.83333333333333 0.66666666666667 0.82962495235926 127.600 > 109 113 Te 0.16666666666667 0.33333333333333 0.16295828569259 127.600 > 109 114 Te 0.66666666666667 0.33333333333333 0.16295828569259 127.600 > 109 115 Te 0.16666666666667 0.83333333333333 0.16295828569259 127.600 > 109 116 Te 0.66666666666667 0.83333333333333 0.16295828569259 127.600 > 109 117 Te 0.00000000000000 0.00000000000000 0.49629161902593 127.600 > 109 118 Te 0.50000000000000 0.00000000000000 0.49629161902593 127.600 > 109 119 Te 0.00000000000000 0.50000000000000 0.49629161902593 127.600 > 109 120 Te 0.50000000000000 0.50000000000000 0.49629161902593 127.600 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2791257 0.0000023 0.0000000 -0.0000023 4.2791257 0.0000000 0.0000000 0.0000000 4.4805480 -------------------------- Born effective charges -------------------------- 1 Li 1.1215161 -0.0761875 -0.0000000 0.0761875 1.1215161 0.0000000 -0.0000000 0.0000000 1.0356950 2 Li 1.1112071 0.0863408 -0.0000000 -0.0863408 1.1112071 0.0000000 -0.0000000 0.0000000 1.0366535 3 O -2.4010113 -0.5352985 0.9693055 -0.5136755 -2.0176857 0.5269813 0.9235271 0.6004260 -2.4056443 4 O -2.7670318 0.5389679 -1.0411096 0.5200400 -1.8453761 0.4795735 -1.1613443 0.3669800 -2.3509774 5 O -2.5343539 -0.6543766 0.9358776 -0.6733046 -2.0780540 0.6618406 0.8984861 0.8222637 -2.3509774 6 O -1.6172262 0.1438006 0.1052319 0.1248726 -2.9951817 -1.1414141 0.2628582 -1.1892436 -2.3509774 7 O -2.5677361 0.4174169 -0.9410319 0.4390399 -1.8509609 0.5759526 -0.9817477 0.4995850 -2.4056443 8 O -1.6592980 0.0854471 -0.0282736 0.1070701 -2.7593990 -1.1029338 0.0582206 -1.1000110 -2.4056443 9 Zr 5.5392310 1.1267079 -0.0000000 -1.1267079 5.5392310 0.0000000 -0.0000000 0.0000000 5.8916700 10 Te 5.7747032 -1.1328186 -0.0000000 1.1328186 5.7747032 0.0000000 -0.0000000 0.0000000 6.3058467 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 109, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000013 (xyx) 0.00000013 (xyx) 0.00000013 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000015 (yx) 0.00000015 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:03:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:03:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R3 (146) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.585816424992886 1.492921809044595 4.624863503333329 b -2.585816424992881 1.492921809044595 4.624863503333329 c 0.000000000000002 -2.985843618089195 4.624863503333329 Atomic positions (fractional): 1 Li 0.27626872599049 0.27626872599049 0.27626872599049 6.941 2 Li 0.78650642230863 0.78650642230864 0.78650642230863 6.941 3 O 0.24047755458581 0.86370339262344 0.60750578412667 15.999 4 O 0.38996294632566 0.71691860612866 0.12388361837017 15.999 5 O 0.71691860612866 0.12388361837017 0.38996294632566 15.999 6 O 0.12388361837017 0.38996294632567 0.71691860612866 15.999 7 O 0.60750578412667 0.24047755458581 0.86370339262344 15.999 8 O 0.86370339262344 0.60750578412667 0.24047755458581 15.999 9 Zr 0.00048136051452 0.00048136051452 0.00048136051452 91.224 10 Te 0.49629161902593 0.49629161902593 0.49629161902593 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.343265699971534 0.000000000000000 0.000000000000000 b -5.171632849985766 8.957530854267581 0.000000000000000 c 0.000000000000000 0.000000000000000 13.874590510000001 Atomic positions (fractional): 1 Li 0.16666666666667 0.33333333333333 0.94293539265716 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.94293539265716 6.941 > 1 3 Li 0.16666666666667 0.83333333333333 0.94293539265716 6.941 > 1 4 Li 0.66666666666667 0.83333333333333 0.94293539265716 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.78650642230863 6.941 > 5 6 Li 0.50000000000000 0.00000000000000 0.78650642230863 6.941 > 5 7 Li 0.00000000000000 0.50000000000000 0.78650642230863 6.941 > 5 8 Li 0.50000000000000 0.50000000000000 0.78650642230863 6.941 > 5 9 Li 0.00000000000000 0.00000000000000 0.27626872599049 6.941 > 1 10 Li 0.50000000000000 0.00000000000000 0.27626872599049 6.941 > 1 11 Li 0.00000000000000 0.50000000000000 0.27626872599049 6.941 > 1 12 Li 0.50000000000000 0.50000000000000 0.27626872599049 6.941 > 1 13 Li 0.33333333333333 0.16666666666667 0.11983975564197 6.941 > 5 14 Li 0.83333333333333 0.16666666666667 0.11983975564197 6.941 > 5 15 Li 0.33333333333333 0.66666666666667 0.11983975564197 6.941 > 5 16 Li 0.83333333333333 0.66666666666667 0.11983975564197 6.941 > 5 17 Li 0.33333333333333 0.16666666666667 0.60960205932382 6.941 > 1 18 Li 0.83333333333333 0.16666666666667 0.60960205932382 6.941 > 1 19 Li 0.33333333333333 0.66666666666667 0.60960205932382 6.941 > 1 20 Li 0.83333333333333 0.66666666666667 0.60960205932382 6.941 > 1 21 Li 0.16666666666667 0.33333333333333 0.45317308897530 6.941 > 5 22 Li 0.66666666666667 0.33333333333333 0.45317308897530 6.941 > 5 23 Li 0.16666666666667 0.83333333333333 0.45317308897530 6.941 > 5 24 Li 0.66666666666667 0.83333333333333 0.45317308897530 6.941 > 5 25 O 0.16829098873692 0.14819489649265 0.90389557711197 15.999 > 25 26 O 0.66829098873692 0.14819489649265 0.90389557711197 15.999 > 25 27 O 0.16829098873692 0.64819489649265 0.90389557711197 15.999 > 25 28 O 0.66829098873692 0.64819489649265 0.90389557711197 15.999 > 25 29 O 0.32318727802542 0.30985238595233 0.74358839027483 15.999 > 29 30 O 0.82318727802542 0.30985238595233 0.74358839027483 15.999 > 29 31 O 0.32318727802542 0.80985238595233 0.74358839027483 15.999 > 29 32 O 0.82318727802542 0.80985238595233 0.74358839027483 15.999 > 29 33 O 0.48666510792691 0.17681272197458 0.74358839027483 15.999 > 33 34 O 0.98666510792691 0.17681272197458 0.74358839027483 15.999 > 33 35 O 0.48666510792691 0.67681272197458 0.74358839027483 15.999 > 33 36 O 0.98666510792691 0.67681272197458 0.74358839027483 15.999 > 33 37 O 0.19014761404767 0.01333489207309 0.74358839027483 15.999 > 37 38 O 0.69014761404767 0.01333489207309 0.74358839027483 15.999 > 37 39 O 0.19014761404767 0.51333489207309 0.74358839027483 15.999 > 37 40 O 0.69014761404767 0.51333489207309 0.74358839027483 15.999 > 37 41 O 0.35180510350735 0.02009609224427 0.90389557711197 15.999 > 41 42 O 0.85180510350735 0.02009609224427 0.90389557711197 15.999 > 41 43 O 0.35180510350735 0.52009609224427 0.90389557711197 15.999 > 41 44 O 0.85180510350735 0.52009609224427 0.90389557711197 15.999 > 41 45 O 0.47990390775573 0.33170901126308 0.90389557711197 15.999 > 45 46 O 0.97990390775573 0.33170901126308 0.90389557711197 15.999 > 45 47 O 0.47990390775573 0.83170901126308 0.90389557711197 15.999 > 45 48 O 0.97990390775573 0.83170901126308 0.90389557711197 15.999 > 45 49 O 0.00162432207025 0.31486156315932 0.23722891044531 15.999 > 25 50 O 0.50162432207025 0.31486156315932 0.23722891044531 15.999 > 25 51 O 0.00162432207025 0.81486156315932 0.23722891044531 15.999 > 25 52 O 0.50162432207025 0.81486156315932 0.23722891044531 15.999 > 25 53 O 0.15652061135875 0.47651905261900 0.07692172360816 15.999 > 29 54 O 0.65652061135875 0.47651905261900 0.07692172360816 15.999 > 29 55 O 0.15652061135875 0.97651905261900 0.07692172360816 15.999 > 29 56 O 0.65652061135875 0.97651905261900 0.07692172360816 15.999 > 29 57 O 0.31999844126025 0.34347938864125 0.07692172360816 15.999 > 33 58 O 0.81999844126025 0.34347938864125 0.07692172360816 15.999 > 33 59 O 0.31999844126025 0.84347938864125 0.07692172360816 15.999 > 33 60 O 0.81999844126025 0.84347938864125 0.07692172360816 15.999 > 33 61 O 0.02348094738100 0.18000155873975 0.07692172360816 15.999 > 37 62 O 0.52348094738100 0.18000155873975 0.07692172360816 15.999 > 37 63 O 0.02348094738100 0.68000155873975 0.07692172360816 15.999 > 37 64 O 0.52348094738100 0.68000155873975 0.07692172360816 15.999 > 37 65 O 0.18513843684068 0.18676275891093 0.23722891044531 15.999 > 41 66 O 0.68513843684068 0.18676275891093 0.23722891044531 15.999 > 41 67 O 0.18513843684068 0.68676275891093 0.23722891044531 15.999 > 41 68 O 0.68513843684068 0.68676275891093 0.23722891044531 15.999 > 41 69 O 0.31323724108907 0.49837567792975 0.23722891044531 15.999 > 45 70 O 0.81323724108907 0.49837567792975 0.23722891044531 15.999 > 45 71 O 0.31323724108907 0.99837567792975 0.23722891044531 15.999 > 45 72 O 0.81323724108907 0.99837567792975 0.23722891044531 15.999 > 45 73 O 0.33495765540359 0.48152822982598 0.57056224377864 15.999 > 25 74 O 0.83495765540359 0.48152822982598 0.57056224377864 15.999 > 25 75 O 0.33495765540359 0.98152822982598 0.57056224377864 15.999 > 25 76 O 0.83495765540359 0.98152822982598 0.57056224377864 15.999 > 25 77 O 0.48985394469208 0.14318571928567 0.41025505694150 15.999 > 29 78 O 0.98985394469208 0.14318571928567 0.41025505694150 15.999 > 29 79 O 0.48985394469208 0.64318571928567 0.41025505694150 15.999 > 29 80 O 0.98985394469208 0.64318571928567 0.41025505694150 15.999 > 29 81 O 0.15333177459358 0.01014605530792 0.41025505694150 15.999 > 33 82 O 0.65333177459358 0.01014605530792 0.41025505694150 15.999 > 33 83 O 0.15333177459358 0.51014605530792 0.41025505694150 15.999 > 33 84 O 0.65333177459358 0.51014605530792 0.41025505694150 15.999 > 33 85 O 0.35681428071434 0.34666822540642 0.41025505694150 15.999 > 37 86 O 0.85681428071434 0.34666822540642 0.41025505694150 15.999 > 37 87 O 0.35681428071434 0.84666822540642 0.41025505694150 15.999 > 37 88 O 0.85681428071434 0.84666822540642 0.41025505694150 15.999 > 37 89 O 0.01847177017402 0.35342942557760 0.57056224377864 15.999 > 41 90 O 0.51847177017402 0.35342942557760 0.57056224377864 15.999 > 41 91 O 0.01847177017402 0.85342942557760 0.57056224377864 15.999 > 41 92 O 0.51847177017402 0.85342942557760 0.57056224377864 15.999 > 41 93 O 0.14657057442240 0.16504234459641 0.57056224377864 15.999 > 45 94 O 0.64657057442240 0.16504234459641 0.57056224377864 15.999 > 45 95 O 0.14657057442240 0.66504234459641 0.57056224377864 15.999 > 45 96 O 0.64657057442240 0.66504234459641 0.57056224377864 15.999 > 45 97 Zr 0.16666666666667 0.33333333333333 0.66714802718118 91.224 > 97 98 Zr 0.66666666666667 0.33333333333333 0.66714802718118 91.224 > 97 99 Zr 0.16666666666667 0.83333333333333 0.66714802718118 91.224 > 97 100 Zr 0.66666666666667 0.83333333333333 0.66714802718118 91.224 > 97 101 Zr 0.00000000000000 0.00000000000000 0.00048136051452 91.224 > 97 102 Zr 0.50000000000000 0.00000000000000 0.00048136051452 91.224 > 97 103 Zr 0.00000000000000 0.50000000000000 0.00048136051452 91.224 > 97 104 Zr 0.50000000000000 0.50000000000000 0.00048136051452 91.224 > 97 105 Zr 0.33333333333333 0.16666666666667 0.33381469384785 91.224 > 97 106 Zr 0.83333333333333 0.16666666666667 0.33381469384785 91.224 > 97 107 Zr 0.33333333333333 0.66666666666667 0.33381469384785 91.224 > 97 108 Zr 0.83333333333333 0.66666666666667 0.33381469384785 91.224 > 97 109 Te 0.33333333333333 0.16666666666667 0.82962495235926 127.600 > 109 110 Te 0.83333333333333 0.16666666666667 0.82962495235926 127.600 > 109 111 Te 0.33333333333333 0.66666666666667 0.82962495235926 127.600 > 109 112 Te 0.83333333333333 0.66666666666667 0.82962495235926 127.600 > 109 113 Te 0.16666666666667 0.33333333333333 0.16295828569259 127.600 > 109 114 Te 0.66666666666667 0.33333333333333 0.16295828569259 127.600 > 109 115 Te 0.16666666666667 0.83333333333333 0.16295828569259 127.600 > 109 116 Te 0.66666666666667 0.83333333333333 0.16295828569259 127.600 > 109 117 Te 0.00000000000000 0.00000000000000 0.49629161902593 127.600 > 109 118 Te 0.50000000000000 0.00000000000000 0.49629161902593 127.600 > 109 119 Te 0.00000000000000 0.50000000000000 0.49629161902593 127.600 > 109 120 Te 0.50000000000000 0.50000000000000 0.49629161902593 127.600 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2791257 0.0000023 0.0000000 -0.0000023 4.2791257 0.0000000 0.0000000 0.0000000 4.4805480 -------------------------- Born effective charges -------------------------- 1 Li 1.1215161 -0.0761875 -0.0000000 0.0761875 1.1215161 0.0000000 -0.0000000 0.0000000 1.0356950 2 Li 1.1112071 0.0863408 -0.0000000 -0.0863408 1.1112071 0.0000000 -0.0000000 0.0000000 1.0366535 3 O -2.4010113 -0.5352985 0.9693055 -0.5136755 -2.0176857 0.5269813 0.9235271 0.6004260 -2.4056443 4 O -2.7670318 0.5389679 -1.0411096 0.5200400 -1.8453761 0.4795735 -1.1613443 0.3669800 -2.3509774 5 O -2.5343539 -0.6543766 0.9358776 -0.6733046 -2.0780540 0.6618406 0.8984861 0.8222637 -2.3509774 6 O -1.6172262 0.1438006 0.1052319 0.1248726 -2.9951817 -1.1414141 0.2628582 -1.1892436 -2.3509774 7 O -2.5677361 0.4174169 -0.9410319 0.4390399 -1.8509609 0.5759526 -0.9817477 0.4995850 -2.4056443 8 O -1.6592980 0.0854471 -0.0282736 0.1070701 -2.7593990 -1.1029338 0.0582206 -1.1000110 -2.4056443 9 Zr 5.5392310 1.1267079 -0.0000000 -1.1267079 5.5392310 0.0000000 -0.0000000 0.0000000 5.8916700 10 Te 5.7747032 -1.1328186 -0.0000000 1.1328186 5.7747032 0.0000000 -0.0000000 0.0000000 6.3058467 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000013 (xyx) 0.00000013 (xyx) 0.00000013 (xxy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 12 ] 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: 0.87, Number of G-points: 297, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/294) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 5.336 ( 0.000 0.000 -0.000) 0.000 5.677 ( 0.000 0.000 0.000) 0.000 5.756 ( 0.000 -0.000 0.000) 0.000 5.756 ( 0.000 0.000 0.000) 0.000 6.610 ( 0.000 0.000 -0.000) 0.000 6.610 ( -0.000 0.000 0.000) 0.000 7.080 ( 0.000 0.000 0.000) 0.000 7.080 ( 0.000 0.000 0.000) 0.000 8.502 ( 0.000 0.000 0.000) 0.000 9.693 ( 0.000 0.000 -0.000) 0.000 10.580 ( 0.000 0.000 0.000) 0.000 11.286 ( -0.000 -0.000 0.000) 0.000 11.286 ( -0.000 0.000 -0.000) 0.000 12.247 ( 0.000 0.000 -0.000) 0.000 12.448 ( 0.000 0.000 -0.000) 0.000 12.448 ( 0.000 0.000 0.000) 0.000 12.918 ( 0.000 0.000 0.000) 0.000 12.918 ( 0.000 -0.000 0.000) 0.000 13.315 ( 0.000 0.000 0.000) 0.000 13.652 ( 0.000 -0.000 -0.000) 0.000 13.652 ( 0.000 0.000 -0.000) 0.000 18.476 ( 0.000 0.000 0.000) 0.000 18.476 ( 0.000 -0.000 0.000) 0.000 18.856 ( 0.000 0.000 -0.000) 0.000 19.581 ( 0.000 0.000 -0.000) 0.000 19.581 ( 0.000 0.000 -0.000) 0.000 23.794 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/294) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 29.513 28.862 13.851) 43.542 0.907 ( 37.012 23.620 14.153) 46.132 1.332 ( 56.773 24.645 21.688) 65.581 5.285 ( -4.906 -3.009 -1.347) 5.910 5.607 ( -9.974 -5.498 -2.234) 11.606 5.703 ( 1.103 -3.060 -0.854) 3.363 6.135 ( -10.762 -6.002 26.081) 28.845 6.727 ( 3.823 8.627 -1.636) 9.578 6.823 ( -1.521 -4.197 7.192) 8.464 7.156 ( 5.674 -0.855 8.977) 10.654 8.172 ( 4.278 9.542 -25.764) 27.806 8.733 ( -8.146 -7.465 37.327) 38.928 9.713 ( -8.524 -6.304 20.955) 23.485 10.478 ( -8.286 -4.768 0.428) 9.569 11.302 ( -2.407 0.248 1.919) 3.088 11.450 ( 4.724 1.590 -1.829) 5.310 12.183 ( -5.325 -2.883 -0.571) 6.082 12.418 ( -0.844 -3.091 -1.178) 3.413 12.712 ( -1.300 2.874 3.574) 4.767 12.945 ( 3.969 0.527 -2.607) 4.778 13.283 ( -2.941 0.563 -3.895) 4.913 13.565 ( 5.216 -1.818 -0.269) 5.531 13.698 ( 3.017 4.664 1.683) 5.804 15.344 ( 14.536 7.260 -41.998) 45.031 18.368 ( -12.544 -10.194 7.484) 17.812 18.447 ( -9.039 3.056 -13.051) 16.167 19.176 ( 7.743 4.405 14.019) 16.610 19.624 ( 3.287 -1.517 6.572) 7.504 23.764 ( -1.058 -0.745 -3.218) 3.469 24.249 ( -0.790 -0.692 5.461) 5.561 ======================= Grid point 2 (3/294) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 28.077 27.894 14.628) 42.194 1.787 ( 35.748 22.928 10.682) 43.792 2.532 ( 49.781 20.813 17.875) 56.841 5.129 ( -9.346 -2.379 -2.424) 9.944 5.383 ( -7.802 -5.301 -3.336) 10.005 5.676 ( 3.122 -5.254 -5.893) 8.489 6.078 ( -9.329 -2.813 21.010) 23.159 6.624 ( -7.366 -7.195 -5.044) 11.466 6.943 ( 0.269 7.364 8.745) 11.436 7.287 ( 6.886 -4.700 5.208) 9.830 8.177 ( -1.851 7.112 -3.191) 8.012 8.846 ( 9.173 3.617 6.165) 11.629 9.613 ( -8.099 -6.897 11.864) 15.934 10.291 ( -8.597 -4.871 1.478) 9.991 11.217 ( -8.381 0.913 0.668) 8.457 11.558 ( 7.467 -1.068 -2.318) 7.891 12.055 ( -5.616 -3.552 1.211) 6.755 12.364 ( 0.759 -5.939 -2.775) 6.599 12.726 ( -4.578 2.929 7.013) 8.873 13.007 ( 3.704 3.581 -5.907) 7.838 13.184 ( -5.924 -0.029 -4.231) 7.280 13.601 ( 2.887 -2.960 -3.867) 5.662 13.872 ( 9.256 6.015 4.240) 11.825 15.414 ( 9.902 3.946 -18.147) 21.046 18.056 ( -17.576 -9.402 7.742) 21.383 18.264 ( -8.152 1.670 -12.236) 14.798 19.412 ( 9.381 6.479 0.203) 11.403 19.720 ( 4.424 -2.507 9.693) 10.946 23.704 ( -2.389 -2.103 -2.703) 4.176 24.264 ( -0.543 -0.127 3.909) 3.948 ======================= Grid point 3 (4/294) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 26.460 26.158 14.700) 40.006 2.602 ( 32.612 21.650 7.090) 39.782 3.492 ( 37.292 13.616 11.116) 41.227 4.942 ( -10.341 -0.220 -0.089) 10.343 5.223 ( -5.612 -3.903 -1.014) 6.910 5.649 ( 4.090 -5.294 -5.919) 8.933 5.969 ( -13.018 -5.388 10.123) 17.348 6.433 ( -4.480 -4.933 0.104) 6.665 6.983 ( -6.070 1.526 5.852) 8.569 7.346 ( 4.546 -4.324 -0.479) 6.292 8.225 ( 0.560 4.683 4.787) 6.721 9.138 ( 15.258 7.178 2.283) 17.016 9.484 ( -7.276 -5.401 7.386) 11.691 10.166 ( -4.628 -0.639 3.904) 6.088 11.093 ( -7.693 2.789 -2.192) 8.471 11.601 ( 4.013 -6.080 -2.698) 7.769 11.979 ( -2.236 -4.026 5.380) 7.082 12.293 ( 1.396 -8.392 -4.482) 9.615 12.700 ( -7.446 3.070 7.346) 10.901 13.010 ( -10.155 13.048 -8.714) 18.690 13.093 ( 4.525 -7.169 -2.919) 8.966 13.561 ( -0.248 -3.695 -5.555) 6.676 14.119 ( 11.067 5.010 4.129) 12.830 15.510 ( 7.955 2.901 -9.410) 12.659 17.754 ( -15.195 -6.820 6.008) 17.705 18.077 ( -7.509 0.615 -10.507) 12.929 19.592 ( 6.850 5.594 -2.854) 9.293 19.825 ( 4.155 -2.638 9.709) 10.885 23.621 ( -2.826 -3.077 -2.365) 4.801 24.273 ( -1.027 0.383 2.736) 2.947 ======================= Grid point 4 (5/294) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.119 ( 22.404 23.327 15.715) 35.959 3.307 ( 27.506 19.768 0.521) 33.876 4.083 ( 20.933 1.588 3.908) 21.354 4.814 ( -7.581 1.765 3.563) 8.560 5.097 ( -6.966 -2.851 1.402) 7.656 5.579 ( -4.907 -7.869 -4.193) 10.177 5.790 ( -0.973 -1.569 -1.252) 2.231 6.376 ( -3.275 -1.542 4.720) 5.949 6.868 ( -8.896 -3.855 2.257) 9.955 7.367 ( 3.154 -2.406 -1.705) 4.318 8.328 ( 3.107 3.884 4.971) 7.032 9.299 ( -3.335 -5.398 1.819) 6.601 9.508 ( 9.514 3.017 10.230) 14.292 10.201 ( 1.005 8.978 2.916) 9.493 11.022 ( -1.835 5.328 -5.829) 8.107 11.572 ( 2.981 -8.665 -0.497) 9.177 11.924 ( -3.115 -9.034 6.192) 11.387 12.208 ( 0.983 -8.014 -3.367) 8.748 12.629 ( -9.666 4.389 3.517) 11.183 12.896 ( -9.944 9.999 -5.179) 15.023 13.106 ( 4.047 -2.707 -4.132) 6.386 13.466 ( -1.921 -5.017 -5.791) 7.900 14.351 ( 9.340 3.687 3.249) 10.554 15.601 ( 5.553 2.107 -4.874) 7.683 17.523 ( -10.737 -4.154 4.207) 12.257 17.919 ( -5.454 0.101 -7.521) 9.291 19.704 ( 4.032 3.682 -2.900) 6.183 19.916 ( 3.165 -1.876 7.470) 8.327 23.534 ( -2.522 -3.149 -1.840) 4.434 24.271 ( -1.297 0.652 1.559) 2.130 ======================= Grid point 5 (6/294) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.694 ( 10.041 18.886 15.127) 26.198 3.856 ( 23.547 15.951 -7.390) 29.385 4.276 ( 10.001 -10.783 1.214) 14.757 4.716 ( -12.081 -1.006 3.623) 12.653 4.964 ( -5.441 -2.183 0.711) 5.905 5.416 ( -3.631 -2.264 -1.823) 4.651 5.874 ( 8.799 3.154 -1.593) 9.481 6.306 ( -6.139 -2.751 2.694) 7.247 6.686 ( -7.837 -4.933 -0.430) 9.270 7.385 ( 1.903 -1.173 -0.758) 2.360 8.442 ( 3.441 3.267 2.559) 5.391 9.172 ( -5.222 -4.792 0.548) 7.108 9.760 ( 9.825 -0.142 13.004) 16.299 10.315 ( -1.695 10.856 -2.209) 11.207 11.092 ( 7.511 8.184 -7.054) 13.159 11.540 ( 2.418 -7.587 0.572) 7.983 11.772 ( -7.175 -11.163 4.827) 14.121 12.141 ( -0.022 -6.514 0.686) 6.550 12.539 ( -7.196 5.906 -1.259) 9.394 12.829 ( -5.188 5.722 -1.605) 7.889 13.119 ( 1.912 -0.258 -2.890) 3.475 13.356 ( -1.707 -4.832 -3.762) 6.357 14.514 ( 5.331 1.982 1.829) 5.975 15.663 ( 2.769 1.144 -2.092) 3.654 17.384 ( -5.442 -1.843 2.194) 6.150 17.818 ( -2.793 -0.075 -3.852) 4.758 19.761 ( 1.798 1.702 -1.668) 2.985 19.977 ( 1.678 -0.870 3.975) 4.402 23.467 ( -1.507 -2.014 -1.038) 2.721 24.264 ( -0.912 0.493 0.646) 1.221 ======================= Grid point 6 (7/294) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.904 ( 0.000 0.000 0.000) 0.000 4.185 ( 0.000 0.000 0.000) 0.000 4.370 ( 0.000 0.000 -0.000) 0.000 4.463 ( 0.000 0.000 0.000) 0.000 4.919 ( 0.000 0.000 0.000) 0.000 5.382 ( 0.000 0.000 0.000) 0.000 6.019 ( 0.000 0.000 0.000) 0.000 6.198 ( 0.000 0.000 0.000) 0.000 6.584 ( 0.000 0.000 -0.000) 0.000 7.393 ( 0.000 0.000 0.000) 0.000 8.500 ( 0.000 0.000 0.000) 0.000 9.098 ( 0.000 0.000 -0.000) 0.000 9.904 ( 0.000 0.000 0.000) 0.000 10.323 ( 0.000 0.000 0.000) 0.000 11.223 ( 0.000 0.000 0.000) 0.000 11.526 ( 0.000 0.000 0.000) 0.000 11.631 ( 0.000 -0.000 0.000) 0.000 12.108 ( 0.000 0.000 0.000) 0.000 12.506 ( 0.000 0.000 0.000) 0.000 12.810 ( 0.000 0.000 0.000) 0.000 13.126 ( 0.000 0.000 0.000) 0.000 13.303 ( 0.000 0.000 0.000) 0.000 14.572 ( 0.000 0.000 -0.000) 0.000 15.685 ( 0.000 0.000 0.000) 0.000 17.338 ( 0.000 0.000 0.000) 0.000 17.783 ( 0.000 0.000 0.000) 0.000 19.778 ( 0.000 0.000 0.000) 0.000 19.999 ( 0.000 0.000 0.000) 0.000 23.442 ( 0.000 0.000 0.000) 0.000 24.261 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 14 (8/294) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 4.152 33.521 14.264) 36.665 0.853 ( 9.027 27.520 26.504) 39.260 1.666 ( -6.050 59.243 41.856) 72.789 5.285 ( -0.036 -6.148 -2.524) 6.646 5.629 ( -1.064 -7.133 -4.452) 8.475 5.678 ( -3.047 -4.595 -0.119) 5.515 6.429 ( -2.567 -11.051 30.817) 32.839 6.548 ( 8.794 -2.670 -4.600) 10.277 6.959 ( -2.629 -0.361 9.574) 9.935 7.142 ( -6.076 0.079 10.917) 12.494 8.021 ( 7.470 10.967 -16.630) 21.275 8.988 ( -0.839 -14.023 20.944) 25.219 9.859 ( -2.114 -31.862 37.754) 49.448 10.472 ( 0.004 -11.658 0.259) 11.661 11.260 ( 1.562 -3.265 -2.664) 4.494 11.519 ( -0.846 7.263 5.885) 9.386 12.176 ( 0.702 -6.370 -1.485) 6.578 12.437 ( -4.102 -1.532 1.054) 4.504 12.650 ( 4.897 -3.293 -2.548) 6.428 12.993 ( -1.180 7.369 2.205) 7.782 13.329 ( 0.444 2.280 0.292) 2.341 13.532 ( -4.678 2.889 -3.372) 6.450 13.691 ( 3.806 3.830 0.910) 5.476 14.998 ( -1.315 34.828 -54.742) 64.895 18.472 ( 2.601 -2.585 0.190) 3.672 18.518 ( 3.163 2.345 -5.754) 6.972 19.168 ( 2.112 -13.477 19.481) 23.782 19.565 ( -5.659 -2.360 1.034) 6.218 23.743 ( -0.226 -0.280 -4.041) 4.057 24.294 ( -0.265 -2.403 6.791) 7.208 ======================= Grid point 15 (9/294) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 25.057 32.291 3.430) 41.016 1.623 ( 30.945 18.415 27.114) 45.076 2.502 ( 13.685 50.574 35.215) 63.128 5.169 ( -3.903 -8.212 -0.677) 9.118 5.432 ( -6.340 -5.257 -8.402) 11.765 5.605 ( -2.653 -2.741 0.018) 3.815 6.352 ( -10.689 -0.694 17.017) 20.107 6.619 ( -1.758 -14.415 6.482) 15.903 6.976 ( 2.606 6.411 0.423) 6.934 7.194 ( 4.059 -4.172 8.170) 10.031 8.210 ( 8.380 10.260 -5.260) 14.253 8.899 ( -6.068 -0.866 8.781) 10.709 9.682 ( -5.967 -20.680 16.682) 27.232 10.307 ( -3.634 -13.272 -1.377) 13.829 11.274 ( 3.817 -5.571 0.495) 6.771 11.557 ( -6.044 9.220 2.348) 11.272 12.095 ( -1.592 -6.534 -0.453) 6.740 12.301 ( -6.550 -3.917 -2.220) 7.948 12.751 ( 9.638 -6.112 0.353) 11.418 12.997 ( -8.068 9.558 3.334) 12.944 13.334 ( -3.619 3.389 -0.031) 4.958 13.522 ( 1.651 3.853 -5.930) 7.262 13.826 ( 5.981 5.622 3.305) 8.849 15.115 ( 13.866 13.343 -29.809) 35.481 18.295 ( -17.147 -8.140 10.522) 21.702 18.459 ( -10.118 6.626 -8.313) 14.676 19.283 ( 10.306 0.788 0.562) 10.352 19.581 ( 9.339 -8.145 5.107) 13.403 23.694 ( -1.586 -2.099 -3.857) 4.669 24.299 ( -0.826 -1.464 5.053) 5.325 ======================= Grid point 16 (10/294) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 29.745 27.013 -0.064) 40.180 2.427 ( 29.795 16.036 22.922) 40.870 3.362 ( 17.835 36.266 24.624) 47.325 5.020 ( -4.539 -8.974 1.660) 10.193 5.280 ( -3.936 1.213 -7.717) 8.747 5.551 ( -1.137 -2.402 0.711) 2.751 6.205 ( -15.806 -10.233 10.106) 21.370 6.453 ( -4.002 -5.224 4.367) 7.898 7.060 ( 0.264 -0.909 2.454) 2.630 7.257 ( 3.764 -1.241 1.448) 4.219 8.343 ( -2.099 7.336 4.061) 8.644 8.994 ( 10.649 6.074 1.935) 12.412 9.504 ( -3.061 -16.223 5.560) 17.420 10.159 ( 0.897 -9.877 0.199) 9.919 11.233 ( -4.060 -3.944 1.335) 5.816 11.547 ( -4.232 5.778 -1.574) 7.333 12.022 ( -1.879 -5.456 3.894) 6.961 12.152 ( -2.178 -7.659 -4.545) 9.169 12.811 ( 4.445 -7.511 2.981) 9.223 12.980 ( -4.943 6.536 0.863) 8.240 13.274 ( -9.020 8.489 -2.739) 12.686 13.530 ( -1.218 2.207 -5.217) 5.794 14.034 ( 9.383 7.015 3.943) 12.362 15.286 ( 13.311 5.786 -16.601) 22.051 17.991 ( -17.912 -8.910 12.229) 23.447 18.274 ( -14.424 9.157 -8.400) 19.038 19.462 ( 10.582 4.872 -8.387) 14.355 19.708 ( 10.242 -9.954 9.994) 17.431 23.612 ( -2.324 -3.341 -3.726) 5.518 24.301 ( -0.467 -1.462 3.277) 3.619 ======================= Grid point 17 (11/294) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( 30.160 22.190 -2.342) 37.516 3.145 ( 26.641 13.475 17.606) 34.660 3.972 ( 9.203 19.722 14.011) 25.883 4.889 ( -3.441 -8.224 4.494) 9.984 5.223 ( -4.282 7.264 -5.055) 9.832 5.511 ( -1.204 -7.266 2.332) 7.725 5.869 ( -12.470 -8.204 -0.961) 14.958 6.432 ( -2.069 -1.917 7.570) 8.079 6.972 ( -7.465 -7.173 2.926) 10.758 7.321 ( 2.713 3.408 -1.393) 4.573 8.374 ( -1.923 4.682 2.063) 5.465 9.216 ( 5.147 -6.153 -1.120) 8.099 9.425 ( 9.234 -4.333 7.239) 12.508 10.185 ( 7.649 0.044 0.334) 7.657 11.127 ( -5.687 0.530 -1.456) 5.895 11.497 ( -4.291 -0.478 -0.513) 4.348 11.942 ( -3.995 -7.445 3.132) 9.010 12.065 ( 3.120 -8.331 -1.458) 9.015 12.789 ( -2.879 -5.247 5.355) 8.031 12.975 ( 0.075 2.168 -2.498) 3.308 13.183 ( -10.777 11.755 -4.919) 16.689 13.458 ( -4.707 -0.433 -4.217) 6.335 14.281 ( 8.971 7.579 4.066) 12.427 15.445 ( 10.648 3.391 -9.720) 14.810 17.720 ( -15.027 -6.256 10.211) 19.215 18.090 ( -13.218 8.905 -5.440) 16.841 19.601 ( 8.260 3.813 -9.342) 13.040 19.829 ( 7.915 -8.619 9.579) 15.123 23.521 ( -1.961 -3.607 -3.413) 5.339 24.293 ( -0.499 -1.723 1.479) 2.325 ======================= Grid point 18 (12/294) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.524 ( 27.511 16.533 -5.248) 32.523 3.730 ( 20.969 10.888 10.174) 25.724 4.160 ( -3.938 0.804 6.755) 7.860 4.821 ( -2.221 -6.824 7.269) 10.215 5.132 ( -13.152 3.421 -1.664) 13.691 5.413 ( -0.303 -4.799 0.302) 4.818 5.777 ( 4.009 2.125 -0.405) 4.556 6.384 ( -5.338 -4.443 3.906) 7.968 6.775 ( -8.958 -7.108 2.084) 11.624 7.387 ( 0.766 5.825 -0.455) 5.892 8.408 ( 2.270 2.057 -2.526) 3.971 9.101 ( 0.825 -12.119 -7.283) 14.164 9.698 ( 11.220 0.021 16.990) 20.361 10.356 ( 7.427 7.491 -4.729) 11.560 11.077 ( -1.640 6.196 -3.533) 7.318 11.410 ( 0.398 -8.556 -0.764) 8.599 11.820 ( -5.689 -5.626 4.041) 8.964 12.045 ( 3.782 -9.777 3.184) 10.956 12.700 ( -7.157 -1.252 3.366) 8.008 12.967 ( -3.206 3.461 -5.683) 7.386 13.112 ( -4.775 8.493 -3.677) 10.414 13.347 ( -4.285 -2.303 -1.092) 4.986 14.491 ( 5.260 7.150 3.599) 9.578 15.568 ( 7.206 1.906 -5.959) 9.543 17.518 ( -10.944 -3.239 7.123) 13.453 17.959 ( -10.407 8.298 -0.796) 13.334 19.688 ( 5.737 1.662 -7.585) 9.654 19.913 ( 5.484 -6.929 6.270) 10.835 23.450 ( -0.681 -2.628 -2.780) 3.886 24.272 ( -0.362 -2.079 0.063) 2.112 ======================= Grid point 19 (13/294) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.866 ( 2.321 -3.240 -10.806) 11.518 4.119 ( 10.921 7.595 -0.416) 13.309 4.180 ( 12.794 1.991 6.835) 14.641 4.672 ( -14.440 -9.223 11.833) 20.822 4.968 ( -5.237 2.281 -3.534) 6.717 5.396 ( -1.520 0.065 1.194) 1.934 5.946 ( 9.359 3.844 1.494) 10.227 6.239 ( -6.433 -5.161 0.517) 8.263 6.620 ( -4.884 -3.450 2.801) 6.603 7.446 ( -1.398 7.680 0.376) 7.815 8.438 ( 3.337 -1.881 -5.347) 6.578 8.996 ( 4.482 -6.908 -8.985) 12.187 9.912 ( 3.771 -1.696 11.614) 12.328 10.390 ( -6.084 2.616 -5.368) 8.525 11.151 ( 5.521 3.813 -4.320) 7.980 11.411 ( 9.319 -4.290 0.129) 10.260 11.704 ( -6.571 -2.346 4.405) 8.252 12.057 ( 4.765 -8.360 7.873) 12.433 12.582 ( -8.331 1.539 -1.766) 8.654 12.870 ( -6.172 4.777 -8.759) 11.731 13.136 ( 0.167 0.930 3.865) 3.979 13.303 ( 0.196 1.515 1.154) 1.914 14.612 ( -0.269 5.753 2.372) 6.228 15.639 ( 3.956 0.392 -3.760) 5.472 17.394 ( -6.142 -1.235 4.195) 7.540 17.902 ( -7.444 8.425 3.897) 11.899 19.728 ( 3.735 -0.716 -5.649) 6.810 19.951 ( 3.267 -5.475 2.325) 6.786 23.423 ( 1.076 -0.708 -1.861) 2.264 24.247 ( 0.244 -2.362 -0.728) 2.483 ======================= Grid point 20 (14/294) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.607 ( -10.437 -15.731 -11.484) 22.098 4.092 ( -14.954 -9.658 1.354) 17.853 4.464 ( 8.943 -2.802 2.422) 9.680 4.514 ( -1.357 6.105 1.140) 6.357 4.954 ( 0.401 5.636 -1.297) 5.797 5.394 ( 1.257 0.134 3.369) 3.598 5.979 ( -5.913 -3.406 2.080) 7.134 6.223 ( 4.645 1.156 0.096) 4.788 6.621 ( 4.683 1.252 1.795) 5.169 7.485 ( -3.742 8.864 0.694) 9.646 8.399 ( 0.476 -4.767 -6.145) 7.792 9.029 ( 9.913 -0.170 -9.241) 13.553 9.873 ( -8.871 -2.063 -5.363) 10.569 10.237 ( -5.243 -8.059 1.107) 9.678 11.158 ( -3.234 -7.799 4.980) 9.803 11.585 ( 5.696 6.795 -0.648) 8.890 11.698 ( 6.762 4.913 -2.962) 8.868 12.153 ( 6.787 -2.975 10.688) 13.006 12.445 ( -5.162 -1.429 -5.562) 7.722 12.791 ( -2.575 2.037 -3.770) 4.999 13.160 ( -0.384 0.037 4.599) 4.615 13.388 ( 3.324 5.116 4.141) 7.374 14.612 ( -6.231 3.477 0.580) 7.159 15.660 ( 1.337 -0.903 -2.266) 2.782 17.350 ( -0.633 -0.439 2.243) 2.372 17.922 ( -4.834 9.488 7.831) 13.218 19.727 ( 2.278 -3.501 -4.676) 6.270 19.946 ( 1.165 -3.980 -1.035) 4.274 23.449 ( 2.682 1.263 -0.933) 3.107 24.231 ( 1.090 -2.290 -0.999) 2.726 ======================= Grid point 21 (15/294) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( -18.821 -19.463 -14.881) 30.895 3.626 ( -27.935 -16.481 5.561) 32.907 4.405 ( -14.100 3.320 -0.698) 14.502 4.615 ( 8.195 -4.082 -3.387) 9.762 5.043 ( 4.325 7.292 -2.758) 8.915 5.525 ( 8.998 3.287 5.913) 11.258 5.869 ( -5.930 -1.183 3.683) 7.080 6.295 ( 4.573 0.516 -2.530) 5.252 6.747 ( 7.437 0.417 -1.249) 7.553 7.499 ( -5.291 9.259 0.479) 10.675 8.313 ( -2.264 -2.753 -4.908) 6.066 9.163 ( 11.525 1.603 -8.861) 14.626 9.610 ( -12.366 -4.456 -8.531) 15.670 10.094 ( -1.939 -9.864 -0.961) 10.099 11.044 ( -4.552 -7.236 8.616) 12.137 11.678 ( 0.091 5.952 1.036) 6.042 11.881 ( 8.119 8.318 -9.304) 14.888 12.287 ( -0.772 4.201 0.883) 4.362 12.396 ( 10.514 -9.138 4.938) 14.779 12.779 ( 0.650 0.744 0.692) 1.206 13.188 ( -0.384 2.270 2.870) 3.679 13.522 ( 2.702 5.463 6.269) 8.744 14.486 ( -11.096 0.490 -1.320) 11.185 15.642 ( -0.869 -1.672 -0.940) 2.105 17.396 ( 5.585 -0.370 1.440) 5.780 18.015 ( -2.652 11.278 10.951) 15.942 19.678 ( 1.087 -6.669 -4.948) 8.375 19.904 ( -0.982 -2.447 -3.436) 4.331 23.515 ( 3.664 2.338 -0.271) 4.355 24.228 ( 1.620 -1.671 -1.074) 2.563 ======================= Grid point 22 (16/294) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( -25.988 -18.304 -13.231) 34.430 2.984 ( -35.118 -17.273 4.045) 39.344 3.992 ( -35.340 -1.935 -5.181) 35.770 4.738 ( 12.430 -1.952 -0.719) 12.602 5.186 ( 5.868 7.209 -0.831) 9.333 5.737 ( 7.912 1.137 4.279) 9.067 5.820 ( -1.222 0.637 0.195) 1.392 6.378 ( 6.441 3.792 -2.711) 7.950 6.822 ( 5.833 -4.220 -3.754) 8.119 7.493 ( -6.063 9.449 -1.867) 11.381 8.223 ( -4.007 -1.652 -0.626) 4.379 9.267 ( -2.177 -6.360 -5.359) 8.597 9.341 ( -1.171 -0.009 -7.264) 7.358 10.031 ( 4.620 -3.325 -3.225) 6.542 11.020 ( 2.017 -3.886 7.709) 8.866 11.727 ( -1.775 5.824 0.981) 6.167 11.951 ( 1.440 3.407 -8.455) 9.229 12.302 ( 4.748 -2.622 -3.174) 6.284 12.553 ( 7.694 -1.321 4.273) 8.899 12.841 ( 4.382 -0.739 5.991) 7.459 13.220 ( -1.124 4.831 1.073) 5.075 13.637 ( 0.637 4.785 6.236) 7.887 14.259 ( -13.762 -2.901 -2.973) 14.375 15.594 ( -2.604 -1.933 0.600) 3.298 17.542 ( 11.913 -0.589 1.461) 12.017 18.174 ( -1.045 13.365 13.219) 18.827 19.576 ( -0.384 -9.757 -5.812) 11.363 19.828 ( -2.991 -1.183 -5.325) 6.221 23.599 ( 3.970 2.170 0.076) 4.525 24.236 ( 1.391 -0.676 -1.210) 1.963 ======================= Grid point 23 (17/294) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -32.075 -10.780 -6.490) 34.454 2.241 ( -40.622 -15.350 3.953) 43.605 3.205 ( -52.136 -3.775 -9.460) 53.121 4.955 ( 13.979 1.479 0.954) 14.090 5.348 ( 5.988 5.587 2.515) 8.567 5.780 ( -2.494 0.675 -2.764) 3.784 5.863 ( 7.418 -3.084 -1.819) 8.237 6.557 ( 10.726 5.710 -2.677) 12.442 6.816 ( 1.640 -6.253 -0.351) 6.474 7.429 ( -8.786 7.105 -8.331) 14.039 8.167 ( -2.011 -3.337 8.380) 9.241 8.990 ( -13.817 -3.494 -3.088) 14.583 9.435 ( 9.482 0.772 -7.627) 12.193 10.135 ( 10.685 0.274 -1.551) 10.801 11.110 ( 6.065 -0.922 5.585) 8.296 11.702 ( -6.857 2.877 -2.042) 7.711 11.979 ( 5.657 0.529 -2.101) 6.057 12.333 ( 4.768 -3.065 -4.031) 6.956 12.657 ( 3.734 1.321 1.021) 4.090 12.937 ( 3.286 -2.908 6.721) 8.027 13.262 ( -0.888 7.405 0.383) 7.468 13.698 ( -1.963 3.413 4.094) 5.680 13.971 ( -13.524 -5.840 -3.630) 15.171 15.538 ( -3.067 -1.508 1.995) 3.958 17.780 ( 17.065 -1.091 1.948) 17.211 18.377 ( -0.277 14.093 13.629) 19.607 19.414 ( -2.988 -11.228 -6.038) 13.094 19.726 ( -4.172 -0.349 -6.743) 7.937 23.679 ( 3.781 1.166 0.133) 3.959 24.242 ( 0.497 0.094 -1.250) 1.349 ======================= Grid point 24 (18/294) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -36.991 7.757 8.474) 38.734 1.463 ( -44.514 -9.070 6.463) 45.886 2.191 ( -63.205 1.696 -8.166) 63.753 5.187 ( 10.527 2.126 -0.682) 10.761 5.502 ( 7.987 -0.069 1.706) 8.167 5.702 ( -0.667 0.348 -11.028) 11.054 5.964 ( 6.807 -4.076 8.274) 11.464 6.693 ( 5.320 -0.085 -7.391) 9.107 6.828 ( -0.448 1.761 10.934) 11.084 7.238 ( -10.981 1.085 -9.245) 14.395 8.217 ( 3.248 -2.516 12.598) 13.251 8.746 ( -12.664 1.817 -5.638) 13.980 9.550 ( 8.317 -0.090 -2.091) 8.577 10.324 ( 11.998 -0.020 0.158) 11.999 11.235 ( 5.499 -0.080 3.814) 6.693 11.566 ( -8.237 -0.041 -3.197) 8.836 12.094 ( 7.593 -0.610 0.408) 7.629 12.363 ( 4.479 -0.515 -3.739) 5.857 12.712 ( 0.489 -0.396 3.962) 4.011 12.960 ( -0.658 0.476 0.125) 0.821 13.324 ( -0.301 4.003 0.581) 4.056 13.634 ( -6.515 -3.818 -5.159) 9.145 13.758 ( -6.626 0.722 3.686) 7.617 15.496 ( -1.897 0.236 -2.044) 2.799 18.079 ( 19.432 -2.316 3.105) 19.814 18.542 ( 0.178 3.879 5.005) 6.335 19.226 ( -8.024 -2.328 0.111) 8.356 19.623 ( -3.273 0.495 -4.938) 5.945 23.740 ( 3.126 0.007 -0.487) 3.164 24.238 ( -0.369 0.088 -0.171) 0.416 ======================= Grid point 26 (19/294) ======================= q-point: ( 0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -21.161 23.201 18.867) 36.634 1.409 ( -28.912 22.492 11.899) 38.515 2.645 ( -18.375 51.398 34.957) 64.818 5.142 ( 5.733 -8.398 -4.780) 11.236 5.482 ( 8.063 -4.130 -0.816) 9.096 5.684 ( -2.024 -0.945 -5.488) 5.925 6.253 ( 10.833 -10.631 17.933) 23.494 6.631 ( -2.863 0.658 -3.705) 4.728 6.932 ( 3.646 -7.294 14.337) 16.494 7.444 ( -6.883 9.139 13.759) 17.894 7.960 ( -5.032 0.580 -9.375) 10.656 8.930 ( 4.478 1.520 4.980) 6.868 9.748 ( 5.348 -18.105 18.205) 26.226 10.309 ( 3.563 -13.469 -0.459) 13.940 11.151 ( 2.191 -9.253 -5.149) 10.813 11.657 ( 0.212 11.939 6.273) 13.488 12.088 ( 1.716 -5.764 0.294) 6.021 12.413 ( 2.697 -1.658 1.453) 3.483 12.638 ( -5.514 -5.499 -3.270) 8.446 12.978 ( 7.389 2.967 1.158) 8.046 13.315 ( 6.567 6.946 -0.540) 9.574 13.640 ( -0.257 4.874 -3.910) 6.254 13.760 ( -10.317 4.206 3.594) 11.707 15.157 ( -14.683 15.114 -29.536) 36.283 18.179 ( 16.331 -8.973 -0.855) 18.654 18.414 ( 13.097 0.651 3.230) 13.505 19.247 ( -10.942 0.355 -0.979) 10.991 19.706 ( -9.279 -3.865 5.735) 11.573 23.709 ( 0.990 -1.125 -3.196) 3.530 24.297 ( 1.232 -1.875 4.326) 4.873 ======================= Grid point 27 (20/294) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 3.287 29.379 12.641) 32.151 1.623 ( 8.446 23.628 21.600) 33.108 3.167 ( -4.830 51.000 34.869) 61.969 5.086 ( 1.748 -9.356 -5.500) 10.993 5.432 ( -5.667 -7.306 -3.490) 9.883 5.623 ( 0.065 -0.278 -1.042) 1.081 6.391 ( 7.308 -8.009 -4.040) 11.570 6.609 ( -2.413 -4.169 19.958) 20.531 7.021 ( 4.520 -7.415 12.299) 15.056 7.304 ( -18.116 4.891 6.128) 19.739 8.079 ( 13.190 8.676 -3.048) 16.079 8.974 ( -0.626 0.526 -2.794) 2.911 9.642 ( -4.137 -25.312 15.157) 29.792 10.165 ( -0.247 -17.931 -4.039) 18.382 11.111 ( 6.323 -7.698 -3.495) 10.557 11.762 ( -3.696 5.574 4.582) 8.107 12.024 ( -1.389 -4.920 -0.061) 5.113 12.416 ( -6.036 -3.210 1.089) 6.923 12.567 ( 5.862 -1.536 1.076) 6.154 13.176 ( 6.830 5.709 2.118) 9.150 13.379 ( -6.372 2.040 4.959) 8.328 13.583 ( -4.857 9.580 -7.318) 12.997 13.815 ( 5.007 6.370 3.858) 8.974 14.997 ( -2.261 17.264 -25.340) 30.746 18.384 ( 11.537 -3.924 -0.824) 12.214 18.539 ( -3.073 1.280 1.256) 3.558 19.145 ( 2.501 -3.742 3.428) 5.658 19.523 ( -7.218 -3.636 1.599) 8.239 23.673 ( -1.049 -2.223 -3.621) 4.376 24.305 ( 0.377 -3.644 2.959) 4.710 ======================= Grid point 28 (21/294) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 17.717 26.753 4.517) 32.404 2.240 ( 24.836 16.858 20.179) 36.169 3.773 ( 0.782 41.430 28.029) 50.027 4.977 ( -0.717 -10.223 -0.787) 10.278 5.275 ( -3.320 -2.474 -4.588) 6.180 5.617 ( -2.620 2.799 1.296) 4.047 6.270 ( -5.116 -12.846 -7.022) 15.508 6.612 ( -8.866 -6.111 22.391) 24.846 7.053 ( -0.125 -3.615 4.798) 6.009 7.219 ( 0.313 2.886 1.794) 3.412 8.367 ( 10.394 8.690 0.361) 13.552 8.950 ( 1.021 2.455 -3.702) 4.558 9.397 ( -4.489 -23.895 6.843) 25.258 9.991 ( 3.023 -15.068 -3.252) 15.709 11.134 ( 5.721 -7.681 -2.171) 9.821 11.710 ( -3.176 -1.689 -1.637) 3.953 11.969 ( -4.083 -0.012 0.368) 4.099 12.254 ( -10.226 -3.618 3.791) 11.490 12.662 ( 5.221 -1.971 0.721) 5.627 13.222 ( -10.888 7.815 3.758) 13.919 13.355 ( 1.553 -2.980 5.745) 6.656 13.598 ( -2.473 11.924 -7.759) 14.440 14.005 ( 6.640 9.000 3.949) 11.861 15.070 ( 8.787 11.535 -16.804) 22.195 18.291 ( -16.897 -7.468 12.773) 22.459 18.487 ( -5.706 8.329 -9.384) 13.784 19.259 ( 11.113 0.977 -6.201) 12.764 19.506 ( 7.623 -7.565 7.461) 13.077 23.594 ( -2.327 -3.537 -3.980) 5.811 24.287 ( 0.715 -4.683 1.608) 5.003 ======================= Grid point 29 (22/294) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( 24.408 22.063 -0.481) 32.905 2.902 ( 26.941 10.542 15.790) 32.958 4.226 ( -0.204 23.533 15.359) 28.102 4.885 ( -2.307 -7.520 6.019) 9.904 5.234 ( 1.654 2.295 -4.887) 5.647 5.590 ( -6.653 1.953 2.636) 7.418 5.958 ( -10.802 -12.182 -3.791) 16.717 6.545 ( -7.369 -1.947 13.144) 15.194 6.997 ( -3.087 -8.567 2.179) 9.364 7.311 ( 3.590 5.338 2.019) 6.742 8.481 ( -3.576 5.946 -2.787) 7.477 9.033 ( 6.093 -9.401 -5.758) 12.596 9.229 ( 9.206 -10.477 8.198) 16.178 9.995 ( 10.979 -5.596 -1.358) 12.398 11.093 ( 0.998 -7.552 -4.297) 8.746 11.671 ( -0.440 -0.990 0.527) 1.204 11.858 ( -7.087 -1.573 -3.887) 8.235 12.096 ( -7.940 -4.751 6.908) 11.547 12.709 ( 3.641 -3.655 0.878) 5.234 13.122 ( -10.145 5.375 1.738) 11.612 13.361 ( -3.591 0.215 4.711) 5.927 13.576 ( -7.751 9.174 -6.265) 13.546 14.248 ( 8.642 10.807 3.917) 14.382 15.248 ( 11.257 7.413 -9.992) 16.778 18.011 ( -18.507 -4.814 11.426) 22.277 18.371 ( -12.515 9.643 -4.456) 16.416 19.406 ( 11.185 3.299 -12.445) 17.055 19.642 ( 10.728 -10.079 10.618) 18.149 23.496 ( -2.161 -4.026 -4.020) 6.086 24.261 ( 1.188 -5.341 0.096) 5.473 ======================= Grid point 30 (23/294) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( 25.272 17.666 -5.023) 31.241 3.469 ( 24.414 3.589 11.951) 27.418 4.343 ( -6.778 2.569 1.842) 7.479 4.844 ( -2.373 -2.738 9.804) 10.452 5.263 ( -1.218 -2.977 -2.413) 4.021 5.450 ( -8.261 2.851 2.048) 8.976 5.789 ( -2.684 0.816 0.862) 2.935 6.465 ( -7.062 -4.294 5.180) 9.754 6.845 ( -6.463 -8.472 2.824) 11.023 7.437 ( 2.361 7.652 2.909) 8.520 8.417 ( -4.159 3.448 -6.991) 8.835 8.874 ( 2.807 -17.216 -8.978) 19.619 9.553 ( 18.635 -1.305 16.089) 24.654 10.175 ( 14.139 2.055 -6.421) 15.664 11.034 ( 4.501 -4.930 -4.945) 8.308 11.544 ( -16.467 1.023 0.320) 16.502 11.799 ( 5.780 -4.520 -0.222) 7.341 11.979 ( -5.502 -6.853 6.453) 10.903 12.726 ( 1.604 -4.189 2.423) 5.098 13.031 ( -6.781 4.147 -0.902) 8.000 13.306 ( -7.429 4.679 0.109) 8.780 13.459 ( -10.108 4.450 -2.393) 11.301 14.504 ( 6.833 10.665 4.256) 13.362 15.424 ( 9.045 4.689 -6.132) 11.891 17.759 ( -15.860 -2.374 8.699) 18.245 18.246 ( -12.689 10.737 0.821) 16.643 19.521 ( 9.091 1.057 -11.217) 14.477 19.763 ( 8.384 -8.992 7.510) 14.407 23.414 ( -0.695 -3.191 -3.635) 4.887 24.227 ( 1.366 -5.529 -1.157) 5.812 ======================= Grid point 31 (24/294) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.649 ( 15.027 5.495 -9.426) 18.570 3.902 ( 20.272 0.489 9.216) 22.274 4.182 ( -5.938 -3.765 -4.791) 8.508 4.832 ( -4.948 -5.846 11.347) 13.690 5.071 ( -9.635 -2.599 -1.715) 10.126 5.465 ( -3.405 5.824 1.682) 6.953 5.863 ( 6.769 4.345 3.555) 8.794 6.303 ( -7.626 -5.362 -0.436) 9.333 6.692 ( -6.532 -6.158 4.272) 9.942 7.558 ( -0.034 10.057 3.192) 10.552 8.350 ( -0.329 -0.458 -8.256) 8.275 8.761 ( 6.513 -9.953 -9.489) 15.216 9.856 ( 8.759 -4.830 11.998) 15.620 10.351 ( 9.991 1.619 -8.908) 13.483 11.129 ( 10.384 2.867 -4.038) 11.505 11.284 ( -11.114 -2.644 1.423) 11.513 11.823 ( -6.236 -1.919 4.625) 7.998 11.909 ( 6.678 -9.490 5.424) 12.810 12.701 ( -3.528 -2.626 3.845) 5.842 12.947 ( -6.088 4.171 -8.101) 10.958 13.235 ( -6.873 7.544 -2.025) 10.405 13.360 ( -4.162 0.445 4.797) 6.366 14.695 ( 1.760 9.290 3.848) 10.209 15.543 ( 5.673 2.149 -4.294) 7.433 17.563 ( -12.041 -0.842 5.756) 13.372 18.183 ( -10.636 11.984 5.954) 17.094 19.578 ( 6.733 -3.122 -9.160) 11.789 19.836 ( 5.758 -6.669 3.462) 9.466 23.378 ( 1.403 -1.355 -2.897) 3.492 24.192 ( 1.633 -5.082 -1.711) 5.606 ======================= Grid point 32 (25/294) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.590 ( -8.721 -10.527 -7.245) 15.472 4.108 ( 2.914 -4.140 -7.190) 8.793 4.254 ( 13.646 -0.277 5.058) 14.555 4.655 ( -10.437 -7.914 6.105) 14.451 5.017 ( -1.352 7.914 -1.359) 8.143 5.446 ( -3.746 2.130 4.044) 5.909 6.021 ( 1.356 0.947 3.474) 3.847 6.187 ( 0.174 -1.587 0.542) 1.686 6.589 ( -1.417 -3.830 1.764) 4.448 7.649 ( -3.054 11.163 1.523) 11.673 8.302 ( 1.703 -2.586 -4.972) 5.857 8.792 ( 10.209 -1.003 -9.755) 14.156 9.850 ( -1.474 -11.024 -5.555) 12.432 10.360 ( -7.569 -0.884 1.846) 7.840 11.127 ( -0.749 -2.099 0.605) 2.309 11.428 ( 16.643 4.573 -2.531) 17.445 11.714 ( -5.022 -3.135 5.029) 7.768 12.006 ( 9.016 -7.787 7.244) 13.943 12.591 ( -10.664 2.280 -1.320) 10.985 12.848 ( -3.715 4.864 -7.724) 9.855 13.203 ( -2.632 1.587 2.326) 3.854 13.408 ( 2.626 3.886 5.758) 7.426 14.765 ( -4.909 6.593 2.329) 8.544 15.600 ( 3.047 0.237 -3.320) 4.513 17.428 ( -7.296 -0.489 3.699) 8.195 18.199 ( -8.176 13.488 10.034) 18.694 19.569 ( 5.128 -7.777 -8.521) 12.624 19.871 ( 3.270 -4.071 0.627) 5.259 23.398 ( 3.302 0.480 -2.139) 3.963 24.170 ( 2.128 -3.888 -1.476) 4.671 ======================= Grid point 33 (26/294) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.217 ( -18.207 -10.898 -6.970) 22.335 3.918 ( -18.631 -11.763 4.429) 22.474 4.340 ( 7.542 -8.295 -0.664) 11.230 4.623 ( 0.011 6.178 -2.677) 6.733 5.065 ( -0.306 7.590 -3.131) 8.217 5.487 ( 2.593 2.033 7.456) 8.151 5.973 ( -5.644 -1.246 2.893) 6.464 6.227 ( 3.013 -1.467 1.479) 3.664 6.611 ( 6.472 -2.662 -2.543) 7.446 7.682 ( -5.096 10.584 -1.859) 11.893 8.306 ( 0.213 1.268 1.421) 1.917 8.920 ( 11.697 1.876 -10.203) 15.635 9.611 ( -5.125 -13.464 -11.275) 18.294 10.184 ( -13.154 -0.419 4.390) 13.874 11.087 ( -2.732 -7.102 5.947) 9.657 11.667 ( 6.521 1.459 -2.171) 7.026 11.737 ( 9.233 3.488 -1.476) 9.979 12.117 ( 9.569 -10.826 3.779) 14.935 12.450 ( -7.953 6.913 -1.899) 10.707 12.832 ( -1.423 5.671 -1.247) 5.978 13.207 ( 0.437 0.393 1.669) 1.769 13.546 ( 4.338 4.638 5.913) 8.677 14.684 ( -11.154 2.438 0.146) 11.418 15.614 ( 1.125 -0.262 -2.651) 2.891 17.369 ( -1.474 -0.971 2.956) 3.443 18.288 ( -5.676 14.688 12.724) 20.245 19.502 ( 4.097 -11.085 -9.048) 14.884 19.873 ( 0.728 -2.255 -0.947) 2.552 23.459 ( 4.439 1.337 -1.709) 4.941 24.173 ( 2.510 -2.116 -0.746) 3.366 ======================= Grid point 34 (27/294) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( -25.084 -4.997 -2.288) 25.679 3.418 ( -31.174 -12.090 6.088) 33.986 4.388 ( -7.486 -2.493 -1.578) 8.047 4.554 ( -0.260 1.996 -3.479) 4.020 5.164 ( 5.067 9.200 -2.560) 10.811 5.609 ( 6.215 -3.528 5.613) 9.087 5.894 ( -4.190 -1.061 2.534) 5.010 6.287 ( 5.065 1.703 -2.330) 5.830 6.667 ( 6.600 -4.946 -1.757) 8.433 7.666 ( -6.027 9.758 -5.782) 12.844 8.308 ( -4.956 1.277 5.819) 7.749 9.060 ( 11.005 -0.982 -7.992) 13.636 9.370 ( -4.298 -7.302 -7.513) 11.324 10.035 ( -7.821 1.989 2.791) 8.539 11.020 ( -1.382 -6.514 8.447) 10.756 11.738 ( 4.209 -1.693 2.534) 5.196 11.880 ( 4.651 3.017 -9.609) 11.093 12.132 ( 6.151 -5.646 -6.487) 10.573 12.483 ( 3.136 1.613 6.270) 7.194 12.887 ( 0.080 7.002 2.667) 7.493 13.239 ( 1.944 1.359 -0.447) 2.414 13.682 ( 2.994 3.947 4.643) 6.790 14.463 ( -15.308 -2.078 -1.622) 15.533 15.602 ( -0.755 0.233 -2.280) 2.413 17.404 ( 5.232 -1.613 3.243) 6.364 18.431 ( -3.079 13.596 12.950) 19.027 19.396 ( 2.823 -11.344 -8.494) 14.450 19.839 ( -1.847 -1.087 -2.170) 3.050 23.537 ( 4.811 1.031 -1.643) 5.187 24.199 ( 2.241 -0.437 0.023) 2.283 ======================= Grid point 35 (28/294) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( -30.088 6.871 7.015) 31.649 2.801 ( -37.635 -8.478 7.060) 39.219 3.909 ( -39.860 1.661 -7.334) 40.563 4.743 ( 14.823 1.794 1.508) 15.007 5.326 ( 4.694 7.354 0.374) 8.732 5.642 ( 4.903 -9.030 -4.461) 11.202 5.856 ( -1.263 -1.691 4.831) 5.272 6.392 ( 8.509 1.494 -5.930) 10.478 6.744 ( 6.372 -2.059 6.067) 9.036 7.578 ( -8.452 5.957 -11.201) 15.244 8.253 ( -5.280 -3.549 10.109) 11.945 9.102 ( -1.852 -1.807 -1.984) 3.260 9.297 ( 3.289 2.453 -4.403) 6.019 10.023 ( 1.863 2.883 1.825) 3.887 11.047 ( 4.313 -4.000 8.419) 10.270 11.784 ( -2.860 0.651 -4.348) 5.245 11.853 ( 5.610 -4.300 -2.690) 7.563 12.185 ( 6.931 1.104 -8.054) 10.683 12.592 ( 5.195 -1.819 6.829) 8.771 12.969 ( 0.105 5.055 2.592) 5.682 13.289 ( 2.529 2.720 -1.693) 4.082 13.751 ( -0.148 0.904 0.216) 0.941 14.161 ( -16.321 -3.732 -0.741) 16.759 15.569 ( -2.199 1.245 -2.623) 3.642 17.547 ( 11.786 -2.046 3.964) 12.603 18.553 ( -0.772 3.421 5.425) 6.460 19.315 ( 0.723 -2.852 -0.983) 3.102 19.768 ( -4.134 0.048 -3.390) 5.346 23.609 ( 4.717 0.118 -1.778) 5.042 24.230 ( 1.179 0.318 0.690) 1.403 ======================= Grid point 36 (29/294) ======================= q-point: (-0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( -32.141 20.312 16.945) 41.627 2.162 ( -41.073 -1.046 9.473) 42.164 3.151 ( -52.209 8.162 -4.350) 53.022 5.007 ( 13.226 1.813 -0.055) 13.350 5.381 ( 2.001 -6.497 -2.500) 7.243 5.622 ( 3.842 3.073 -10.214) 11.338 5.912 ( 4.880 -4.788 15.413) 16.862 6.504 ( 10.032 -1.368 -5.789) 11.663 6.897 ( 4.442 1.723 11.538) 12.483 7.375 ( -10.688 0.927 -10.456) 14.981 8.224 ( -0.904 -4.693 9.111) 10.288 8.980 ( -13.067 5.552 -1.327) 14.260 9.417 ( 8.799 1.189 3.267) 9.461 10.148 ( 8.912 0.499 1.943) 9.135 11.155 ( 6.312 -3.175 6.547) 9.633 11.646 ( -5.607 -0.843 -8.256) 10.015 11.956 ( 7.770 -2.114 2.283) 8.370 12.262 ( 5.800 3.656 -6.475) 9.430 12.691 ( 3.716 -3.537 8.813) 10.197 13.005 ( -0.889 5.393 -2.556) 6.034 13.317 ( 0.034 -3.484 -2.875) 4.517 13.653 ( -4.708 -4.398 -7.326) 9.756 13.950 ( -10.491 3.832 5.130) 12.291 15.522 ( -3.254 3.109 -6.160) 7.629 17.784 ( 16.675 -3.002 5.144) 17.707 18.474 ( -1.021 -13.723 -9.468) 16.703 19.391 ( -1.907 10.978 11.284) 15.858 19.680 ( -4.342 1.965 -2.624) 5.440 23.667 ( 4.243 -0.740 -2.109) 4.795 24.248 ( 0.029 0.061 1.818) 1.819 ======================= Grid point 38 (30/294) ======================= q-point: ( 0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( -29.201 17.911 15.009) 37.401 2.173 ( -34.980 15.149 7.321) 38.816 3.549 ( -17.004 39.897 24.908) 50.013 4.928 ( 5.992 -10.288 -2.017) 12.075 5.332 ( 7.680 -0.536 0.615) 7.724 5.659 ( -0.537 -0.133 -7.340) 7.360 6.107 ( 8.770 -11.234 12.348) 18.858 6.535 ( 8.080 -1.403 -1.341) 8.310 6.928 ( -1.456 -7.800 6.978) 10.567 7.568 ( 8.974 11.338 7.921) 16.487 8.112 ( -12.479 -0.710 2.765) 12.801 9.027 ( -9.736 8.194 0.821) 12.752 9.585 ( 6.550 -12.180 7.559) 15.761 10.149 ( 1.044 -12.149 1.056) 12.240 10.979 ( 1.479 -10.713 -8.275) 13.617 11.754 ( 3.451 7.539 3.004) 8.819 12.061 ( 0.826 1.019 7.068) 7.189 12.370 ( 1.900 -1.626 -0.403) 2.533 12.606 ( -1.507 -9.902 -3.405) 10.579 12.878 ( 5.673 -0.405 -0.853) 5.751 13.266 ( 7.579 7.514 0.406) 10.680 13.621 ( 4.008 4.189 -3.550) 6.798 14.033 ( -12.216 7.487 2.745) 14.589 15.345 ( -11.940 8.127 -16.047) 21.590 17.858 ( 12.556 -10.335 3.233) 16.581 18.201 ( 14.790 2.026 -0.393) 14.933 19.434 ( -11.475 2.654 -4.876) 12.747 19.833 ( -6.381 -3.845 6.332) 9.777 23.653 ( 2.526 -1.173 -2.602) 3.811 24.276 ( 0.742 -2.867 1.797) 3.464 ======================= Grid point 39 (31/294) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -13.457 21.028 13.749) 28.501 2.026 ( -15.641 21.907 15.486) 31.055 3.902 ( -7.501 41.597 26.791) 50.044 4.901 ( 4.710 -10.464 -4.760) 12.423 5.408 ( 0.526 -3.569 -1.520) 3.914 5.589 ( 1.363 -1.501 -2.571) 3.274 6.193 ( 6.529 -9.026 4.077) 11.863 6.645 ( 5.829 -1.093 4.164) 7.247 6.915 ( 3.697 -10.524 10.896) 15.593 7.757 ( -18.905 5.825 11.611) 22.938 7.961 ( 6.770 6.553 -0.778) 9.454 8.976 ( -3.244 3.324 -4.703) 6.610 9.533 ( -0.218 -19.209 6.687) 20.341 9.988 ( -2.081 -17.196 -3.330) 17.638 10.898 ( 6.116 -9.180 -5.984) 12.550 11.769 ( -1.310 -7.090 -4.655) 8.582 12.120 ( -3.501 4.208 10.620) 11.948 12.400 ( 1.902 -1.477 -1.094) 2.645 12.538 ( 2.431 -1.657 5.064) 5.856 13.049 ( 10.440 3.394 -0.720) 11.002 13.446 ( 6.235 6.146 1.361) 8.860 13.719 ( 1.028 8.036 -3.290) 8.744 13.918 ( -10.394 7.722 4.514) 13.713 15.135 ( -11.304 12.280 -17.199) 23.966 18.079 ( 18.491 -1.226 0.914) 18.554 18.464 ( 13.267 -1.407 5.774) 14.537 19.228 ( -11.755 1.281 -4.198) 12.548 19.658 ( -11.019 -5.923 2.984) 12.861 23.640 ( 0.024 -2.435 -3.198) 4.020 24.258 ( 0.983 -5.355 -0.207) 5.448 ======================= Grid point 40 (32/294) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 0.456 21.662 10.781) 24.201 2.242 ( 8.718 19.367 15.325) 26.190 4.318 ( -4.598 32.057 19.819) 37.968 4.847 ( 3.803 -8.335 -1.641) 9.307 5.303 ( -4.385 -3.365 -0.608) 5.560 5.653 ( 2.916 3.457 1.163) 4.670 6.151 ( -0.436 -10.464 -6.033) 12.087 6.745 ( 1.319 -3.216 13.715) 14.149 6.955 ( 6.075 -11.594 6.427) 14.582 7.475 ( -20.577 5.392 6.940) 22.375 8.247 ( 13.275 8.894 1.567) 16.055 8.905 ( -1.158 -3.301 -7.327) 8.120 9.328 ( -6.361 -18.277 4.753) 19.928 9.786 ( 0.988 -14.858 -4.629) 15.593 10.923 ( 8.888 -7.836 -2.848) 12.186 11.600 ( -1.134 -12.491 -9.244) 15.581 12.134 ( -5.755 2.637 7.299) 9.662 12.347 ( -3.621 -3.693 1.481) 5.380 12.650 ( 1.120 3.955 5.224) 6.647 13.226 ( 9.304 0.032 2.672) 9.680 13.552 ( -8.747 6.066 6.858) 12.662 13.693 ( -3.080 11.688 -7.982) 14.485 14.014 ( 5.381 8.474 5.760) 11.573 15.049 ( -2.440 13.758 -13.518) 19.441 18.353 ( 11.385 0.620 1.596) 11.513 18.581 ( -3.370 0.127 3.430) 4.810 19.112 ( 1.900 -0.928 -1.600) 2.652 19.477 ( -5.843 -3.497 2.027) 7.105 23.572 ( -1.975 -3.927 -3.836) 5.834 24.210 ( 1.513 -7.410 -1.619) 7.734 ======================= Grid point 41 (33/294) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( 13.549 18.173 4.947) 23.202 2.720 ( 18.913 13.515 12.457) 26.373 4.471 ( -4.123 3.949 1.425) 5.884 4.907 ( 1.298 2.693 8.529) 9.037 5.252 ( -2.132 2.250 3.818) 4.918 5.714 ( -2.878 6.137 -1.651) 6.976 5.952 ( -5.318 -9.758 -3.121) 11.542 6.740 ( -7.586 -4.089 10.907) 13.900 6.939 ( 1.406 -10.001 3.022) 10.541 7.380 ( -4.074 7.198 7.040) 10.861 8.506 ( 6.630 7.387 -3.156) 10.416 8.792 ( 2.896 -14.903 -6.009) 16.328 9.126 ( -2.282 -8.637 5.951) 10.734 9.750 ( 9.959 -6.175 -3.160) 12.137 10.949 ( 4.559 -8.357 -3.893) 10.285 11.451 ( 5.836 -13.018 -8.452) 16.582 12.077 ( -7.749 1.903 3.788) 8.832 12.238 ( -9.037 -1.744 4.078) 10.067 12.684 ( -1.137 0.897 1.926) 2.409 13.346 ( -2.383 2.429 2.021) 3.958 13.436 ( -8.668 3.451 7.084) 11.714 13.732 ( -3.842 8.855 -3.272) 10.192 14.243 ( 7.938 11.027 3.500) 14.030 15.139 ( 5.819 11.726 -8.136) 15.413 18.323 ( -15.323 -4.926 11.432) 19.742 18.558 ( -2.756 9.474 -6.014) 11.555 19.198 ( 8.942 0.739 -5.967) 10.776 19.468 ( 6.276 -5.587 6.008) 10.330 23.469 ( -2.443 -4.585 -4.056) 6.591 24.156 ( 2.620 -8.513 -2.450) 9.238 ======================= Grid point 42 (34/294) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( 20.589 16.113 -0.572) 26.151 3.202 ( 20.908 4.906 10.096) 23.731 4.373 ( -3.016 -8.927 -4.773) 10.563 4.926 ( -2.964 -2.244 2.814) 4.663 5.277 ( -2.596 -0.085 5.715) 6.277 5.635 ( -7.492 7.883 -2.044) 11.066 5.864 ( -4.019 0.676 4.428) 6.018 6.585 ( -9.338 -5.579 0.832) 10.909 6.869 ( -3.457 -6.844 5.842) 9.639 7.493 ( 2.389 7.175 8.016) 11.020 8.490 ( -5.246 1.374 -9.143) 10.630 8.644 ( 0.088 -12.389 -6.567) 14.022 9.298 ( 19.597 -3.609 13.960) 24.330 9.909 ( 14.368 -0.044 -6.403) 15.731 10.878 ( 2.480 -7.551 -6.910) 10.532 11.449 ( 11.220 -12.470 -3.266) 17.090 11.967 ( -12.649 6.363 1.091) 14.201 12.083 ( -9.734 -3.846 5.960) 12.044 12.683 ( 0.559 -1.586 1.482) 2.242 13.232 ( -11.529 5.433 -0.048) 12.745 13.428 ( -4.144 0.053 6.551) 7.752 13.671 ( -9.810 6.173 -2.696) 11.900 14.508 ( 8.727 11.489 3.360) 14.814 15.313 ( 7.703 8.188 -4.279) 12.028 18.069 ( -18.009 -1.970 8.197) 19.884 18.532 ( -8.840 10.053 0.858) 13.414 19.310 ( 9.172 0.660 -9.441) 13.180 19.582 ( 9.264 -7.077 5.819) 13.029 23.374 ( -1.204 -3.807 -3.657) 5.414 24.109 ( 3.425 -8.521 -2.918) 9.636 ======================= Grid point 43 (35/294) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.425 ( 16.350 11.581 -6.702) 21.127 3.612 ( 22.145 -1.701 11.028) 24.798 4.158 ( -5.276 -12.587 -8.433) 16.044 4.857 ( -1.688 -5.484 0.283) 5.745 5.211 ( -7.256 -0.650 4.613) 8.623 5.648 ( -7.073 11.150 3.428) 13.642 5.847 ( 1.026 0.514 3.968) 4.131 6.374 ( -8.373 -5.523 -3.947) 10.779 6.769 ( -6.517 -5.458 5.859) 10.324 7.652 ( 2.392 7.513 7.403) 10.815 8.353 ( -4.788 0.078 -8.333) 9.611 8.549 ( 3.368 -4.172 -5.431) 7.631 9.672 ( 16.772 -6.724 12.530) 21.989 10.071 ( 14.319 -1.015 -12.311) 18.912 10.901 ( 11.441 -1.231 -4.638) 12.407 11.457 ( -0.091 -8.902 0.753) 8.934 11.827 ( -8.732 3.287 1.761) 9.495 11.951 ( -6.725 -2.595 4.536) 8.517 12.691 ( 1.534 -3.110 2.338) 4.183 13.101 ( -10.651 4.773 -1.539) 11.773 13.387 ( -4.756 2.824 2.360) 6.013 13.524 ( -11.580 3.320 -0.148) 12.047 14.751 ( 5.722 9.753 3.615) 11.872 15.460 ( 5.510 4.314 -2.744) 7.517 17.822 ( -16.172 -0.389 5.566) 17.108 18.502 ( -9.619 11.852 5.947) 16.382 19.370 ( 6.959 -4.584 -8.767) 12.096 19.688 ( 7.891 -5.004 2.264) 9.614 23.325 ( 0.969 -1.950 -2.817) 3.560 24.076 ( 3.835 -7.289 -2.783) 8.694 ======================= Grid point 44 (36/294) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.576 ( 0.181 -2.128 -2.955) 3.646 3.934 ( 1.786 -10.727 -7.844) 13.409 4.034 ( 19.737 2.684 4.654) 20.456 4.741 ( -6.558 -7.794 1.083) 10.244 5.142 ( -5.469 5.521 1.701) 7.955 5.599 ( -8.279 5.388 3.315) 10.419 5.984 ( 8.050 1.089 6.104) 10.161 6.191 ( -5.274 -3.502 -5.098) 8.128 6.629 ( -7.205 -5.277 2.577) 9.295 7.771 ( 0.156 6.375 1.903) 6.655 8.282 ( -1.529 3.480 -0.458) 3.829 8.609 ( 7.453 2.993 -4.178) 9.053 9.701 ( -0.035 -14.527 -7.200) 16.213 10.294 ( 15.306 -0.960 0.501) 15.345 11.135 ( 15.327 4.435 -4.087) 16.471 11.287 ( -10.770 -2.810 2.804) 11.478 11.767 ( -1.479 -7.728 4.416) 9.022 11.897 ( -0.551 1.139 2.352) 2.671 12.695 ( -0.417 -2.545 3.000) 3.956 12.952 ( -9.921 5.454 -5.788) 12.715 13.329 ( -8.558 4.816 -2.046) 10.031 13.448 ( -0.290 1.465 6.252) 6.428 14.891 ( -0.649 6.258 2.518) 6.777 15.540 ( 3.219 1.476 -2.087) 4.111 17.613 ( -12.861 0.141 3.494) 13.328 18.519 ( -8.208 12.909 9.175) 17.838 19.346 ( 5.146 -9.572 -8.520) 13.809 19.770 ( 5.699 -2.687 0.160) 6.302 23.334 ( 3.002 -0.148 -1.966) 3.591 24.068 ( 4.115 -4.944 -1.944) 6.720 ======================= Grid point 45 (37/294) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.401 ( -14.324 -2.324 -0.584) 14.523 3.906 ( 7.877 -8.686 -3.092) 12.126 4.266 ( -0.818 -5.384 6.078) 8.161 4.604 ( 1.301 2.259 -3.144) 4.084 5.138 ( -2.693 6.253 -2.647) 7.304 5.573 ( -3.944 4.052 6.122) 8.334 6.043 ( -3.460 -3.498 -1.257) 5.078 6.157 ( 5.682 -2.337 3.924) 7.290 6.506 ( -1.223 -3.567 -3.400) 5.077 7.805 ( -1.971 6.702 -4.166) 8.134 8.362 ( 1.158 6.331 9.155) 11.191 8.751 ( 6.946 5.564 -4.879) 10.150 9.458 ( -2.548 -15.607 -11.359) 19.470 10.404 ( -4.561 0.714 4.445) 6.408 11.104 ( -5.184 -2.590 2.471) 6.300 11.449 ( 16.909 2.028 -4.219) 17.545 11.694 ( -1.275 -5.524 3.490) 6.657 11.943 ( 4.536 -3.724 1.847) 6.153 12.630 ( -7.846 2.700 -1.324) 8.403 12.884 ( -0.988 5.931 -3.150) 6.788 13.239 ( -4.237 0.429 0.434) 4.281 13.549 ( 4.089 3.908 4.517) 7.239 14.861 ( -8.069 0.763 0.201) 8.108 15.581 ( 1.930 1.148 -1.339) 2.615 17.459 ( -8.181 -0.043 2.343) 8.510 18.575 ( -5.755 10.157 9.299) 14.925 19.278 ( 4.087 -9.318 -7.251) 12.494 19.821 ( 3.098 -1.590 -0.575) 3.530 23.386 ( 4.203 0.656 -1.545) 4.525 24.095 ( 4.225 -2.158 -0.648) 4.788 ======================= Grid point 46 (38/294) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.141 ( -20.153 5.715 4.703) 21.469 3.793 ( -18.545 -7.857 6.204) 21.075 4.216 ( 8.672 -5.070 1.622) 10.176 4.679 ( -1.689 5.510 -6.336) 8.565 5.157 ( 2.157 7.021 -3.946) 8.338 5.583 ( -2.034 -2.864 6.284) 7.199 5.939 ( -3.076 -3.486 -1.821) 4.993 6.233 ( 2.944 0.187 1.823) 3.468 6.501 ( 6.620 -3.382 -2.444) 7.826 7.786 ( -4.412 6.741 -7.579) 11.061 8.461 ( -4.723 1.302 11.593) 12.585 8.856 ( 8.282 2.031 -6.829) 10.925 9.286 ( 0.498 -5.120 -4.613) 6.909 10.291 ( -13.230 5.173 5.272) 15.152 11.036 ( -2.436 -5.490 5.481) 8.131 11.636 ( 6.798 -6.521 5.544) 10.930 11.712 ( 9.037 0.880 -10.237) 13.683 11.975 ( 4.197 -2.801 -2.834) 5.788 12.549 ( -4.214 4.089 -0.115) 5.873 12.948 ( 1.570 6.398 -0.019) 6.588 13.209 ( 0.573 -1.070 -0.050) 1.215 13.674 ( 4.217 3.077 1.469) 5.423 14.663 ( -13.346 -4.088 -1.155) 14.006 15.607 ( 0.211 1.993 -1.114) 2.293 17.386 ( -2.043 -0.472 2.310) 3.119 18.599 ( -2.200 -1.346 2.602) 3.664 19.256 ( 2.350 0.571 -0.035) 2.419 19.832 ( 0.429 -0.955 -1.225) 1.611 23.455 ( 4.594 0.443 -1.652) 4.903 24.151 ( 3.749 -0.050 0.649) 3.805 ======================= Grid point 47 (39/294) ======================= q-point: (-0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( -23.844 16.193 12.021) 31.229 3.356 ( -31.551 -3.794 8.774) 32.967 4.299 ( -6.347 -2.068 -5.829) 8.863 4.602 ( 0.665 5.262 0.037) 5.304 5.311 ( 8.731 8.510 -2.721) 12.492 5.490 ( -2.937 -12.682 1.105) 13.065 5.871 ( -1.507 -1.142 -2.597) 3.213 6.285 ( 3.344 0.354 -0.722) 3.440 6.628 ( 10.223 -1.016 5.465) 11.637 7.671 ( -7.691 1.704 -11.831) 14.214 8.375 ( -7.403 -5.218 8.089) 12.144 9.025 ( 9.622 3.198 2.311) 10.400 9.282 ( 0.462 3.933 -1.466) 4.222 10.185 ( -11.113 7.364 5.627) 14.470 11.010 ( 0.965 -4.610 7.863) 9.166 11.699 ( 5.222 -5.621 -2.632) 8.111 11.742 ( 3.645 -3.438 -3.493) 6.108 12.045 ( 7.491 4.642 -8.173) 12.019 12.568 ( 1.519 0.596 4.949) 5.211 13.016 ( 0.327 3.905 -0.396) 3.939 13.236 ( 3.571 -0.096 -1.209) 3.772 13.723 ( 1.111 -1.824 -5.110) 5.539 14.385 ( -14.750 -3.641 1.183) 15.239 15.608 ( -1.731 2.779 -1.750) 3.713 17.419 ( 4.954 -0.916 3.006) 5.867 18.490 ( -0.148 -14.306 -7.292) 16.058 19.378 ( 1.303 11.883 9.744) 15.423 19.803 ( -2.065 -0.091 -2.176) 3.001 23.519 ( 4.599 -0.250 -2.030) 5.033 24.213 ( 2.444 0.623 1.647) 3.012 ======================= Grid point 48 (40/294) ======================= q-point: (-0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( -27.455 21.596 15.256) 38.117 2.859 ( -35.435 3.914 12.105) 37.650 3.894 ( -33.163 6.727 -6.771) 34.509 4.815 ( 12.677 1.363 3.583) 13.244 5.293 ( -2.991 -12.452 -2.931) 13.137 5.527 ( 8.684 7.153 -3.479) 11.776 5.852 ( 3.824 -3.694 1.915) 5.651 6.350 ( 4.790 -0.669 0.822) 4.906 6.844 ( 10.301 -0.157 8.985) 13.670 7.455 ( -8.336 -1.987 -11.286) 14.171 8.280 ( -4.763 -3.668 7.166) 9.354 9.182 ( -0.734 6.164 4.245) 7.520 9.344 ( 3.301 3.481 2.823) 5.566 10.140 ( -4.300 3.576 4.971) 7.482 11.072 ( 4.350 -3.229 6.674) 8.596 11.614 ( -0.312 -2.547 -11.238) 11.527 11.848 ( 7.480 -1.159 5.405) 9.301 12.166 ( 6.735 6.164 -7.495) 11.812 12.650 ( 4.015 -2.948 8.724) 10.046 13.032 ( 0.242 2.828 -3.236) 4.304 13.251 ( -0.380 -5.710 -3.778) 6.857 13.605 ( -1.872 -5.893 -10.516) 12.200 14.196 ( -10.915 3.813 5.191) 12.674 15.581 ( -3.428 3.853 -3.957) 6.501 17.560 ( 11.325 -2.397 4.203) 12.315 18.269 ( -0.650 -17.329 -11.901) 21.033 19.589 ( 0.028 12.152 11.902) 17.009 19.748 ( -3.038 2.102 -1.781) 4.102 23.574 ( 4.496 -0.840 -2.312) 5.125 24.255 ( 0.843 0.064 2.384) 2.530 ======================= Grid point 50 (41/294) ======================= q-point: ( 0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( -30.834 11.044 13.417) 35.394 2.875 ( -32.525 12.752 1.722) 34.978 4.192 ( -8.686 26.813 14.818) 31.843 4.763 ( 2.178 -10.228 1.734) 10.600 5.219 ( 7.898 0.440 1.804) 8.114 5.605 ( 0.966 -4.328 -6.403) 7.788 5.894 ( 10.957 -4.726 4.459) 12.739 6.424 ( 3.908 -3.612 2.979) 6.098 6.871 ( 2.220 -7.726 -0.001) 8.038 7.556 ( 9.476 10.972 6.066) 15.715 8.284 ( -5.935 0.887 4.117) 7.278 9.331 ( -7.173 2.026 1.761) 7.659 9.459 ( -5.257 -1.469 6.363) 8.384 10.067 ( -3.107 -10.329 1.138) 10.846 10.844 ( -3.388 -7.247 -10.515) 13.212 11.745 ( 4.423 2.469 2.417) 5.613 12.112 ( 5.260 4.210 8.378) 10.751 12.301 ( 3.582 -0.579 -4.314) 5.637 12.477 ( 0.539 -12.912 -1.189) 12.978 12.803 ( 2.568 0.095 0.022) 2.569 13.215 ( 6.231 4.959 0.179) 7.965 13.553 ( 6.282 3.183 -2.302) 7.409 14.297 ( -9.334 8.633 1.160) 12.768 15.497 ( -8.451 5.123 -8.868) 13.279 17.628 ( 9.788 -7.567 7.743) 14.595 17.996 ( 11.267 3.070 -4.241) 12.424 19.590 ( -8.516 2.294 -4.612) 9.953 19.916 ( -4.404 -4.315 5.089) 7.995 23.578 ( 3.497 -1.012 -2.259) 4.285 24.246 ( -0.502 -3.753 -0.276) 3.797 ======================= Grid point 51 (42/294) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( -22.554 15.252 5.939) 27.867 2.629 ( -24.368 15.784 15.525) 32.923 4.441 ( -3.164 24.680 15.554) 29.343 4.723 ( 3.007 -8.321 0.142) 8.848 5.346 ( 4.644 1.148 -1.639) 5.057 5.525 ( 1.131 -5.072 -1.265) 5.348 6.035 ( 7.896 -6.178 4.078) 10.823 6.495 ( 8.619 -4.608 1.550) 9.895 6.843 ( 1.915 -7.158 3.704) 8.284 7.868 ( 10.562 11.462 5.515) 16.533 8.162 ( -13.649 -0.262 4.566) 14.395 9.150 ( -15.334 0.462 2.302) 15.513 9.403 ( -0.126 -8.497 0.425) 8.508 9.881 ( -4.948 -14.679 -2.858) 15.752 10.710 ( 2.009 -5.814 -7.428) 9.644 11.690 ( -3.447 -11.187 -4.513) 12.546 12.233 ( 0.752 -1.340 7.650) 7.803 12.330 ( 4.664 -2.181 -1.693) 5.420 12.503 ( 5.047 2.881 8.062) 9.938 12.936 ( 8.094 6.654 -1.051) 10.530 13.367 ( 8.579 3.933 -0.784) 9.470 13.698 ( 6.615 4.383 1.550) 8.085 14.221 ( -11.830 10.720 1.020) 15.997 15.332 ( -11.082 7.809 -10.695) 17.268 17.839 ( 14.220 1.331 7.799) 16.273 18.233 ( 15.929 0.475 1.069) 15.972 19.415 ( -11.919 1.985 -5.263) 13.180 19.773 ( -8.485 -7.586 3.192) 11.821 23.587 ( 1.343 -2.513 -3.038) 4.165 24.185 ( -0.199 -6.239 -2.727) 6.812 ======================= Grid point 52 (43/294) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -6.521 18.099 8.811) 21.160 2.547 ( -13.882 14.803 14.182) 24.758 4.555 ( 0.279 -7.589 -1.998) 7.853 4.829 ( 2.286 14.733 10.820) 18.421 5.328 ( -1.855 -0.826 -0.860) 2.205 5.611 ( 6.930 2.673 3.129) 8.060 6.051 ( 0.395 -5.805 -1.742) 6.074 6.629 ( 11.854 -6.524 1.848) 13.657 6.848 ( 1.958 -5.622 7.211) 9.351 7.900 ( -19.304 0.092 4.965) 19.933 8.165 ( 8.553 9.998 5.239) 14.163 8.912 ( -10.482 -7.828 0.008) 13.083 9.294 ( -3.364 -7.732 -0.696) 8.461 9.646 ( -3.207 -12.335 -5.988) 14.081 10.706 ( 6.738 -4.990 -3.281) 9.004 11.459 ( -4.020 -14.713 -8.543) 17.482 12.231 ( -2.534 -4.488 5.788) 7.750 12.352 ( 1.336 -0.848 0.831) 1.788 12.692 ( 4.309 4.360 6.913) 9.239 13.111 ( 7.516 4.284 1.817) 8.840 13.587 ( 10.882 7.604 0.806) 13.300 13.811 ( 0.316 4.426 -1.582) 4.711 14.159 ( -8.928 11.191 5.131) 15.208 15.196 ( -8.264 11.197 -9.465) 16.830 18.166 ( 15.236 7.857 3.067) 17.414 18.494 ( 13.925 -4.067 7.731) 16.438 19.198 ( -11.964 1.319 -4.795) 12.956 19.579 ( -8.811 -5.415 1.856) 10.507 23.536 ( -1.082 -4.304 -3.799) 5.842 24.097 ( 0.628 -8.330 -4.430) 9.456 ======================= Grid point 53 (44/294) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( -0.018 12.007 7.902) 14.374 2.719 ( 5.885 15.254 9.706) 19.014 4.425 ( -0.072 -13.219 -5.758) 14.419 4.993 ( -0.584 4.796 3.919) 6.221 5.325 ( -0.584 0.750 2.977) 3.125 5.749 ( 3.210 1.471 1.024) 3.676 5.984 ( -3.537 4.546 0.838) 5.820 6.705 ( 5.631 -9.992 -3.533) 12.001 6.894 ( 1.518 -2.443 10.971) 11.342 7.666 ( -15.375 4.321 9.566) 18.616 8.406 ( 9.960 6.898 -0.395) 12.122 8.667 ( -7.035 -14.081 0.091) 15.741 9.158 ( -5.466 -5.706 0.965) 7.960 9.544 ( 5.747 -3.751 -6.079) 9.167 10.756 ( 6.925 -6.936 -2.380) 10.086 11.222 ( -0.327 -14.318 -9.403) 17.133 12.164 ( -3.536 -4.536 4.052) 7.036 12.354 ( -2.625 0.931 1.480) 3.154 12.753 ( -2.592 1.462 2.269) 3.742 13.302 ( 8.036 2.102 5.508) 9.966 13.719 ( -9.513 4.181 5.065) 11.560 13.818 ( 0.748 9.985 -5.270) 11.315 14.246 ( 3.919 8.533 5.257) 10.761 15.180 ( -1.476 12.440 -6.122) 13.943 18.441 ( 5.765 5.654 1.826) 8.279 18.632 ( -0.110 -0.694 6.713) 6.750 19.075 ( 1.279 -0.051 -2.909) 3.179 19.443 ( -3.907 -2.539 1.700) 4.960 23.438 ( -2.216 -5.135 -4.030) 6.894 24.007 ( 2.165 -9.417 -4.817) 10.797 ======================= Grid point 54 (45/294) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( 12.899 9.742 4.571) 16.798 3.037 ( 12.682 8.740 5.684) 16.417 4.250 ( -0.660 -15.042 -7.100) 16.647 4.966 ( -4.850 -1.320 -0.690) 5.073 5.314 ( 0.103 -2.943 -0.239) 2.954 5.757 ( -1.108 0.410 2.783) 3.023 6.039 ( -6.455 12.427 5.143) 14.918 6.593 ( -2.784 -9.418 -6.787) 11.938 6.933 ( -2.744 -2.384 9.979) 10.620 7.629 ( -4.451 7.220 11.341) 14.162 8.444 ( -3.881 -12.108 -0.541) 12.726 8.587 ( 4.373 6.301 -7.640) 10.826 9.098 ( 5.901 -6.135 8.453) 11.997 9.658 ( 11.868 1.252 -6.685) 13.678 10.728 ( 2.267 -8.522 -5.909) 10.615 11.131 ( 9.617 -11.635 -4.375) 15.717 12.092 ( -3.821 -2.331 2.754) 5.255 12.292 ( -8.319 2.038 1.742) 8.740 12.712 ( -3.693 0.189 1.252) 3.904 13.393 ( -2.088 0.920 0.865) 2.440 13.609 ( -11.303 5.355 6.288) 13.999 13.833 ( -5.476 4.131 -0.302) 6.866 14.468 ( 9.779 9.023 1.721) 13.416 15.285 ( 3.725 9.883 -2.569) 10.869 18.372 ( -15.007 -1.583 6.440) 16.407 18.695 ( -0.252 8.267 0.567) 8.291 19.147 ( 6.966 -0.262 -3.509) 7.805 19.437 ( 4.317 -3.039 2.279) 5.751 23.338 ( -1.522 -4.349 -3.329) 5.685 23.940 ( 3.872 -9.151 -4.334) 10.841 ======================= Grid point 55 (46/294) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.232 ( 19.479 11.113 -1.358) 22.467 3.329 ( 15.116 -1.504 6.100) 16.370 4.039 ( -2.577 -14.111 -8.096) 16.472 4.854 ( -4.468 -2.888 -1.176) 5.449 5.293 ( -1.033 -0.269 0.173) 1.081 5.783 ( 1.420 -0.920 4.499) 4.807 6.004 ( -12.663 9.283 3.361) 16.057 6.402 ( -5.985 -6.371 -6.555) 10.926 6.880 ( -6.884 -2.632 6.540) 9.854 7.732 ( 0.238 5.427 8.864) 10.396 8.335 ( 0.116 -4.682 2.544) 5.330 8.568 ( -5.032 8.412 -9.089) 13.367 9.357 ( 21.351 -7.306 10.947) 25.082 9.780 ( 9.802 -2.530 -11.870) 15.600 10.705 ( 7.803 -1.171 -5.296) 9.503 11.205 ( 12.727 -11.636 -0.145) 17.246 12.030 ( -4.726 0.564 1.255) 4.922 12.140 ( -14.599 3.338 2.157) 15.130 12.672 ( -1.249 -1.543 1.559) 2.524 13.309 ( -8.965 3.649 -1.496) 9.794 13.518 ( -8.407 0.615 6.630) 10.725 13.732 ( -10.087 2.748 -1.015) 10.504 14.721 ( 9.962 7.483 1.431) 12.541 15.416 ( 4.212 5.216 -0.938) 6.770 18.126 ( -17.506 -0.299 4.642) 18.114 18.748 ( -4.153 8.498 4.272) 10.379 19.198 ( 3.907 -3.061 -5.410) 7.342 19.525 ( 8.255 -2.562 0.126) 8.644 23.280 ( 0.347 -2.334 -1.937) 3.053 23.912 ( 5.113 -7.354 -3.265) 9.533 ======================= Grid point 56 (47/294) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.487 ( 8.649 1.523 -2.644) 9.172 3.703 ( 23.385 -0.241 5.817) 24.099 3.829 ( -3.112 -7.786 -7.266) 11.095 4.768 ( -3.447 -2.249 -0.181) 4.120 5.266 ( -3.649 2.630 -0.378) 4.514 5.795 ( -2.778 -2.103 2.763) 4.447 5.928 ( -4.037 3.078 4.524) 6.800 6.223 ( -5.917 -1.822 -6.311) 8.841 6.743 ( -9.711 -3.452 2.124) 10.523 7.802 ( 0.553 1.758 1.787) 2.567 8.383 ( -0.602 6.303 7.667) 9.944 8.577 ( 1.461 9.800 -2.012) 10.111 9.497 ( 3.108 -15.019 -6.817) 16.784 9.953 ( 22.661 -1.644 -0.731) 22.733 10.899 ( 14.870 5.716 -3.716) 16.359 11.273 ( 7.461 -11.911 1.407) 14.125 11.891 ( -15.115 2.419 0.254) 15.309 12.002 ( -6.312 3.096 2.046) 7.322 12.664 ( 1.239 -2.423 1.998) 3.376 13.162 ( -12.181 3.470 -1.284) 12.730 13.460 ( -3.334 -0.538 4.716) 5.800 13.571 ( -10.656 3.576 -2.175) 11.448 14.911 ( 5.344 3.387 1.029) 6.410 15.498 ( 2.922 1.568 -0.390) 3.339 17.874 ( -16.374 0.638 2.762) 16.618 18.771 ( -5.228 5.753 4.176) 8.824 19.167 ( 2.093 -4.796 -4.343) 6.800 19.639 ( 7.881 -0.982 -1.119) 8.020 23.282 ( 2.156 -0.288 -0.525) 2.238 23.930 ( 5.759 -4.375 -1.809) 7.455 ======================= Grid point 57 (48/294) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.594 ( -0.450 3.151 3.989) 5.103 3.658 ( 1.840 -6.721 -5.246) 8.722 4.114 ( 19.039 -0.142 3.352) 19.332 4.669 ( -7.303 0.876 -1.506) 7.508 5.228 ( -3.769 3.753 -1.637) 5.565 5.730 ( -6.464 1.181 4.086) 7.738 5.928 ( 4.221 -8.835 -1.362) 9.886 6.147 ( -1.013 3.853 -1.070) 4.125 6.548 ( -9.226 -3.195 -2.779) 10.152 7.834 ( 0.840 3.540 -1.922) 4.115 8.489 ( -1.026 8.495 9.326) 12.657 8.733 ( 3.444 7.971 1.742) 8.857 9.292 ( -1.284 -12.433 -8.855) 15.318 10.302 ( 17.823 -0.963 2.864) 18.077 11.172 ( 13.289 -0.608 -3.565) 13.772 11.220 ( -2.206 -2.366 1.427) 3.535 11.703 ( -7.751 -1.208 -0.345) 7.852 11.954 ( -4.274 1.854 1.721) 4.966 12.679 ( 0.881 -1.417 0.455) 1.730 13.003 ( -9.258 4.500 -1.507) 10.403 13.353 ( -8.744 -2.027 1.206) 9.057 13.547 ( 1.855 4.740 -0.399) 5.106 14.939 ( -2.580 -2.994 -0.373) 3.970 15.554 ( 2.729 1.276 0.344) 3.032 17.651 ( -13.460 1.147 0.908) 13.539 18.698 ( -3.772 -7.428 -2.662) 8.746 19.187 ( 1.591 5.475 2.655) 6.290 19.736 ( 5.551 -0.690 -0.832) 5.655 23.328 ( 3.096 0.814 0.226) 3.209 23.993 ( 5.875 -1.264 -0.245) 6.014 ======================= Grid point 58 (49/294) ======================= q-point: (-0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.528 ( -11.847 9.712 6.422) 16.611 3.767 ( 10.568 -3.364 2.363) 11.339 4.251 ( -5.446 -4.144 7.025) 9.808 4.623 ( 3.942 5.652 -8.261) 10.758 5.197 ( -2.695 4.178 -3.339) 5.989 5.630 ( -4.193 -8.288 1.526) 9.413 5.916 ( 0.891 -0.368 -1.370) 1.675 6.202 ( 2.571 1.009 1.787) 3.289 6.407 ( -1.061 -1.198 -3.760) 4.087 7.849 ( -2.352 3.793 -4.837) 6.581 8.585 ( -2.875 -2.270 9.045) 9.758 8.758 ( 2.184 2.388 -5.827) 6.666 9.261 ( 1.854 4.924 5.201) 7.398 10.486 ( 1.314 2.818 3.355) 4.574 11.079 ( -4.523 -4.877 3.890) 7.706 11.412 ( 12.246 -0.745 -2.724) 12.568 11.615 ( -0.275 -0.760 -3.673) 3.761 11.921 ( -1.125 -0.690 0.432) 1.389 12.642 ( -3.766 1.080 -2.337) 4.562 12.975 ( 0.007 5.506 -0.458) 5.525 13.226 ( -4.395 -3.254 1.454) 5.659 13.626 ( 3.762 2.606 -3.810) 5.955 14.787 ( -8.851 -7.289 -0.429) 11.474 15.611 ( 1.738 2.012 0.527) 2.711 17.484 ( -8.592 1.201 -0.151) 8.677 18.507 ( -1.327 -16.570 -7.392) 18.193 19.336 ( 1.338 13.046 7.953) 15.338 19.792 ( 2.796 -0.698 -0.664) 2.957 23.390 ( 3.244 0.832 0.023) 3.349 24.086 ( 5.307 0.791 1.150) 5.487 ======================= Grid point 59 (50/294) ======================= q-point: (-0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.499 ( -15.160 17.854 12.346) 26.477 3.792 ( -14.204 -1.603 8.959) 16.870 4.183 ( 3.635 -0.392 0.736) 3.729 4.672 ( 1.094 3.063 -8.290) 8.905 5.198 ( 3.247 0.020 -3.896) 5.072 5.483 ( -3.693 -8.230 -0.563) 9.038 5.897 ( -4.169 3.154 -2.828) 5.944 6.240 ( 2.902 -1.007 0.392) 3.097 6.485 ( 9.479 0.214 3.626) 10.151 7.727 ( -7.975 -2.689 -9.602) 12.768 8.469 ( -5.447 -5.294 3.121) 8.212 8.921 ( 9.442 5.505 3.928) 11.615 9.373 ( -2.185 8.499 7.843) 11.770 10.477 ( -9.359 6.245 4.604) 12.156 11.029 ( -1.662 -1.780 6.234) 6.693 11.520 ( 7.962 -5.357 -3.705) 10.286 11.631 ( 3.498 -0.705 -2.269) 4.229 11.938 ( 4.865 2.700 -4.261) 7.008 12.598 ( -1.507 0.974 0.523) 1.869 13.029 ( 0.585 2.584 -1.700) 3.148 13.183 ( 1.515 -2.139 1.382) 2.963 13.628 ( 1.200 -3.418 -10.745) 11.340 14.564 ( -10.713 -5.122 2.571) 12.149 15.645 ( -0.234 2.286 -0.145) 2.302 17.404 ( -2.052 0.649 -0.039) 2.152 18.278 ( -0.239 -18.765 -8.969) 20.799 19.547 ( 1.702 14.354 10.180) 17.679 19.806 ( 0.208 -0.214 -1.169) 1.206 23.444 ( 3.218 0.176 -0.796) 3.320 24.181 ( 3.854 1.263 2.089) 4.562 ======================= Grid point 60 (51/294) ======================= q-point: (-0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.456 ( -24.724 9.835 11.595) 29.025 3.518 ( -24.520 14.657 14.504) 32.037 4.191 ( -5.031 2.227 -10.238) 11.623 4.716 ( 5.305 2.900 3.871) 7.179 5.163 ( 1.390 -14.442 -2.317) 14.692 5.446 ( 4.786 3.698 -2.931) 6.721 5.823 ( -4.029 2.242 -4.463) 6.417 6.305 ( 3.939 -1.001 4.211) 5.853 6.695 ( 12.081 -0.741 5.558) 13.319 7.488 ( -7.735 -4.650 -9.581) 13.162 8.382 ( -5.376 -0.872 4.821) 7.274 9.142 ( 9.463 2.239 4.125) 10.564 9.453 ( -3.319 8.399 8.996) 12.747 10.363 ( -12.566 2.467 3.924) 13.394 11.060 ( -0.205 1.313 5.371) 5.533 11.517 ( 1.833 0.315 -10.844) 11.002 11.726 ( 9.655 -2.747 6.287) 11.844 12.065 ( 7.906 5.740 -4.935) 10.946 12.616 ( 2.035 -2.414 4.799) 5.745 13.014 ( -0.086 -2.718 -1.912) 3.324 13.195 ( -0.554 -3.169 -3.366) 4.656 13.487 ( -0.046 -6.154 -13.384) 14.731 14.415 ( -8.683 1.826 4.857) 10.115 15.643 ( -2.203 2.791 -1.733) 3.955 17.428 ( 4.780 -1.507 1.181) 5.149 18.057 ( -0.196 -15.310 -8.881) 17.700 19.743 ( -0.397 6.607 6.407) 9.212 19.799 ( -0.111 5.061 1.565) 5.298 23.489 ( 3.514 -0.463 -1.519) 3.856 24.249 ( 1.808 0.358 2.299) 2.947 ======================= Grid point 62 (52/294) ======================= q-point: ( 0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.364 ( -25.557 -0.270 3.336) 25.776 3.515 ( -28.297 15.687 3.515) 32.545 4.498 ( 1.924 12.422 8.329) 15.079 4.676 ( 1.025 -8.518 2.837) 9.036 5.090 ( 9.153 -0.019 0.892) 9.197 5.453 ( 5.469 -6.299 -0.620) 8.365 5.838 ( -1.796 3.960 0.042) 4.348 6.344 ( 3.064 -5.959 2.933) 7.315 6.722 ( 5.902 -6.987 -3.889) 9.939 7.547 ( 8.596 10.526 5.510) 14.665 8.387 ( -4.644 0.176 1.922) 5.029 9.222 ( 4.997 -6.630 -2.548) 8.684 9.803 ( -10.100 6.831 12.946) 17.784 10.078 ( -10.457 -7.476 -2.244) 13.049 10.858 ( -10.888 -0.146 -10.381) 15.045 11.696 ( 5.533 0.456 2.615) 6.137 11.995 ( 11.695 -4.325 1.958) 12.622 12.145 ( 4.499 -8.871 -9.266) 13.594 12.460 ( -1.800 1.328 7.869) 8.180 12.801 ( 0.448 3.493 1.699) 3.910 13.161 ( 4.021 1.468 0.004) 4.281 13.460 ( 7.211 2.302 0.107) 7.571 14.493 ( -5.126 7.503 -0.660) 9.111 15.604 ( -5.261 2.814 -4.619) 7.546 17.488 ( 8.393 -3.539 10.776) 14.110 17.859 ( 5.959 4.529 -5.956) 9.565 19.696 ( -5.374 1.558 -3.359) 6.526 19.955 ( -3.058 -5.364 2.638) 6.714 23.501 ( 3.139 -0.868 -1.897) 3.769 24.225 ( -1.816 -3.597 -1.466) 4.287 ======================= Grid point 63 (53/294) ======================= q-point: ( 0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( -22.381 7.765 1.524) 23.739 3.260 ( -26.415 13.134 11.546) 31.679 4.527 ( 0.201 -12.251 2.694) 12.545 4.776 ( 1.852 12.333 7.124) 14.363 5.242 ( 8.572 3.506 -4.172) 10.157 5.451 ( 2.188 -6.308 3.261) 7.431 5.903 ( 5.628 0.281 2.060) 6.000 6.347 ( 3.875 -6.837 1.462) 7.994 6.738 ( 5.489 -5.517 -0.371) 7.791 7.841 ( 9.529 10.953 4.051) 15.073 8.316 ( -5.286 -0.869 2.820) 6.054 9.175 ( 1.223 -10.758 -3.199) 11.290 9.666 ( -21.870 4.017 10.559) 24.615 9.828 ( -7.152 -9.875 -6.485) 13.810 10.671 ( -5.441 1.622 -7.210) 9.177 11.621 ( -5.005 -13.489 -3.364) 14.776 12.104 ( 12.052 -4.693 -1.493) 13.020 12.201 ( 7.317 -5.427 2.130) 9.355 12.548 ( 1.605 4.967 7.761) 9.354 12.922 ( 4.163 11.726 1.695) 12.558 13.252 ( 7.093 0.892 -1.717) 7.352 13.620 ( 8.086 1.229 4.559) 9.364 14.478 ( -6.941 11.186 -1.203) 13.220 15.494 ( -8.077 4.381 -6.170) 11.069 17.727 ( 11.911 1.718 16.659) 20.551 18.012 ( 11.427 5.454 -6.409) 14.191 19.571 ( -8.990 1.422 -4.607) 10.201 19.826 ( -5.660 -8.987 1.996) 10.807 23.516 ( 2.112 -2.469 -3.088) 4.482 24.129 ( -2.492 -5.761 -3.651) 7.261 ======================= Grid point 64 (54/294) ======================= q-point: ( 0.25 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( -13.174 13.642 4.812) 19.565 3.043 ( -22.429 10.137 12.287) 27.509 4.401 ( 0.688 -16.049 -2.125) 16.204 4.929 ( 2.993 4.180 3.224) 6.069 5.336 ( 1.410 3.815 -3.693) 5.494 5.533 ( 7.552 1.528 4.986) 9.177 5.996 ( 3.794 -0.704 2.703) 4.711 6.388 ( 8.789 -6.593 -0.156) 10.989 6.799 ( 5.070 -2.502 4.621) 7.301 8.004 ( 1.263 0.720 -5.454) 5.645 8.297 ( -3.275 7.118 11.763) 14.134 9.016 ( -7.136 -12.434 1.017) 14.372 9.379 ( -15.992 -3.796 3.007) 16.710 9.587 ( -6.894 -5.257 -9.460) 12.831 10.621 ( -0.680 2.524 -2.429) 3.568 11.357 ( -6.311 -15.473 -5.848) 17.704 12.206 ( 3.090 -6.042 2.465) 7.220 12.276 ( 7.345 -2.612 2.725) 8.258 12.669 ( 4.963 1.872 3.346) 6.271 13.110 ( 2.980 9.698 3.065) 10.598 13.436 ( 14.025 6.156 -2.182) 15.471 13.770 ( 6.395 -0.764 4.038) 7.602 14.458 ( -9.654 12.526 1.572) 15.892 15.372 ( -8.241 6.966 -6.129) 12.410 18.078 ( 12.504 10.088 12.489) 20.349 18.239 ( 15.957 -0.269 0.013) 15.959 19.380 ( -11.916 0.473 -4.611) 12.786 19.654 ( -6.602 -7.830 1.589) 10.364 23.479 ( 0.024 -4.416 -4.132) 6.048 24.003 ( -2.068 -7.117 -5.066) 8.977 ======================= Grid point 65 (55/294) ======================= q-point: ( 0.33 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( -9.302 12.513 2.425) 15.779 2.922 ( -8.816 8.206 12.612) 17.439 4.235 ( 0.891 -16.912 -5.154) 17.702 5.004 ( 3.623 -0.773 0.652) 3.762 5.326 ( -1.641 -0.786 -4.924) 5.249 5.686 ( 5.553 0.092 2.723) 6.186 6.096 ( 2.340 8.785 6.056) 10.924 6.472 ( 8.970 -7.252 -2.692) 11.845 6.901 ( 3.874 0.180 7.480) 8.426 7.918 ( -6.071 -0.597 0.548) 6.125 8.406 ( -1.147 7.591 5.924) 9.697 8.740 ( -13.556 -11.400 3.838) 18.123 9.172 ( -4.138 -8.311 0.382) 9.291 9.445 ( -0.729 2.223 -9.246) 9.537 10.629 ( 1.077 -1.287 -0.871) 1.890 11.084 ( -4.869 -13.859 -6.902) 16.231 12.177 ( -1.010 -5.450 3.229) 6.415 12.361 ( 2.741 -0.461 0.949) 2.937 12.765 ( 3.540 -0.301 0.877) 3.660 13.255 ( 4.732 4.918 4.873) 8.386 13.731 ( 12.811 6.678 -0.036) 14.447 13.850 ( 1.972 2.032 -1.404) 3.161 14.418 ( -9.620 8.896 5.286) 14.129 15.307 ( -4.762 9.206 -4.494) 11.297 18.397 ( 8.979 14.120 -5.244) 17.536 18.521 ( 15.171 -5.855 16.736) 23.335 19.164 ( -11.320 0.544 -3.808) 11.955 19.504 ( -5.386 -4.640 1.154) 7.202 23.394 ( -1.437 -5.276 -4.322) 6.970 23.880 ( -0.672 -7.454 -5.131) 9.074 ======================= Grid point 66 (56/294) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( -0.093 5.567 3.927) 6.813 3.026 ( 2.672 7.969 5.066) 9.814 4.063 ( 0.553 -14.974 -6.113) 16.184 5.032 ( -1.863 0.659 -0.308) 2.000 5.240 ( 0.514 -4.434 -4.805) 6.558 5.750 ( 2.064 -1.884 3.107) 4.179 6.262 ( -0.822 11.829 5.047) 12.887 6.475 ( 2.408 -6.834 -4.834) 8.710 6.989 ( 0.803 -0.174 6.837) 6.886 7.860 ( -6.400 4.729 8.062) 11.327 8.460 ( -8.965 -8.595 5.009) 13.392 8.497 ( 4.715 3.496 -4.771) 7.564 9.063 ( -1.915 -6.100 1.765) 6.632 9.494 ( 6.520 4.653 -5.722) 9.844 10.592 ( 0.678 -7.216 -3.011) 7.848 10.914 ( 2.093 -8.221 -4.171) 9.454 12.129 ( -1.893 -2.835 2.240) 4.079 12.374 ( -1.054 0.095 0.293) 1.098 12.779 ( -1.884 0.220 0.595) 1.988 13.389 ( 3.580 1.128 3.055) 4.840 13.834 ( -4.737 2.290 3.708) 6.437 13.918 ( 0.554 5.744 -3.007) 6.507 14.430 ( 1.735 5.220 3.041) 6.286 15.332 ( -0.257 8.043 -1.869) 8.262 18.543 ( -1.129 3.604 -0.885) 3.879 18.739 ( 3.918 1.817 8.460) 9.498 19.043 ( 0.552 -0.011 -2.165) 2.234 19.421 ( -2.003 -1.410 0.641) 2.532 23.300 ( -1.293 -4.292 -3.137) 5.471 23.792 ( 1.476 -6.602 -4.060) 7.890 ======================= Grid point 67 (57/294) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.009 ( 13.912 2.186 3.362) 14.478 3.181 ( 7.748 3.439 -0.566) 8.496 3.912 ( -0.794 -9.089 -4.814) 10.315 4.939 ( -7.606 0.912 -1.518) 7.809 5.247 ( 4.457 -2.309 -0.361) 5.032 5.762 ( 0.308 -3.194 2.151) 3.863 6.290 ( -8.726 8.512 -1.130) 12.242 6.390 ( -3.193 -5.262 -1.233) 6.278 6.989 ( -4.121 -1.020 3.835) 5.721 7.868 ( -5.092 4.198 6.656) 9.373 8.341 ( -0.920 -2.479 7.892) 8.323 8.616 ( 4.844 8.283 -10.341) 14.107 9.071 ( 9.252 -6.571 6.553) 13.104 9.582 ( 5.072 -1.299 -7.007) 8.747 10.558 ( 5.604 -1.281 -3.907) 6.950 10.927 ( 8.635 -7.527 -0.235) 11.458 12.094 ( -2.183 0.135 1.161) 2.477 12.333 ( -5.331 1.326 0.168) 5.496 12.730 ( -4.730 0.411 1.047) 4.862 13.402 ( -2.593 0.117 -1.024) 2.791 13.753 ( -11.667 2.767 4.434) 12.784 13.876 ( -6.348 0.081 0.899) 6.412 14.598 ( 11.106 4.035 -0.929) 11.853 15.403 ( 2.320 3.563 -0.075) 4.252 18.414 ( -14.622 -0.039 3.018) 14.930 18.828 ( 1.277 2.244 1.499) 2.986 19.104 ( 5.173 -0.473 -1.419) 5.385 19.417 ( 2.438 0.407 -1.026) 2.677 23.248 ( 0.059 -1.896 -0.870) 2.087 23.762 ( 3.748 -4.504 -2.338) 6.309 ======================= Grid point 68 (58/294) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.298 ( 12.696 -7.850 3.492) 15.330 3.355 ( 19.237 5.351 -5.782) 20.787 3.824 ( -2.564 0.675 -0.912) 2.804 4.835 ( -5.660 1.757 -0.167) 5.929 5.292 ( 1.769 0.218 0.013) 1.782 5.734 ( 0.619 -5.692 1.341) 5.880 6.162 ( -12.765 2.065 0.540) 12.942 6.273 ( -5.047 0.277 -3.878) 6.371 6.884 ( -8.979 -1.432 0.128) 9.093 7.843 ( -2.916 0.982 2.172) 3.766 8.467 ( 4.628 5.234 12.657) 14.457 8.676 ( -0.982 12.210 -6.206) 13.732 9.234 ( 10.730 -9.931 -3.207) 14.968 9.612 ( 12.709 -4.386 -1.457) 13.524 10.720 ( 12.321 6.511 -3.269) 14.314 11.011 ( 10.247 -9.009 1.208) 13.697 12.065 ( -4.119 2.627 -0.093) 4.886 12.216 ( -11.751 3.342 -0.173) 12.219 12.669 ( -2.923 -0.762 1.730) 3.481 13.330 ( -5.581 0.936 -2.245) 6.088 13.583 ( -11.737 -3.120 6.596) 13.820 13.754 ( -9.280 2.424 -2.693) 9.962 14.796 ( 10.437 0.075 -1.362) 10.525 15.460 ( 2.851 -0.494 0.846) 3.015 18.170 ( -17.179 0.733 2.243) 17.340 18.802 ( -1.920 -6.962 -4.784) 8.662 19.163 ( 1.165 4.153 3.126) 5.327 19.500 ( 7.353 1.640 -2.394) 7.904 23.257 ( 1.384 0.646 1.432) 2.093 23.800 ( 5.402 -1.670 -0.507) 5.677 ======================= Grid point 70 (59/294) ======================= q-point: (-0.33 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.380 ( 9.470 -8.056 -3.565) 12.935 3.693 ( 17.198 -1.620 -0.522) 17.283 3.873 ( 3.293 11.308 3.215) 12.208 4.784 ( -4.640 4.220 -0.518) 6.294 5.295 ( -2.172 1.252 -0.382) 2.536 5.696 ( 1.631 -10.435 1.356) 10.649 5.963 ( -9.901 -0.503 -0.651) 9.935 6.208 ( -3.140 4.618 -3.621) 6.656 6.688 ( -11.966 -1.014 -2.913) 12.357 7.851 ( 0.211 2.892 1.917) 3.476 8.634 ( 0.057 4.083 10.048) 10.846 8.752 ( 0.898 6.094 -5.985) 8.589 9.191 ( 1.566 -1.374 -0.636) 2.178 9.934 ( 25.350 -2.555 2.187) 25.572 10.937 ( 11.463 -3.451 -3.486) 12.468 11.120 ( 9.350 0.702 0.877) 9.418 11.943 ( -15.233 4.025 -1.146) 15.798 12.082 ( -7.339 3.702 0.005) 8.220 12.652 ( 0.397 -1.094 1.277) 1.728 13.198 ( -10.523 1.561 -0.404) 10.646 13.429 ( -5.490 -9.309 4.808) 11.828 13.626 ( -7.059 7.251 -6.002) 11.766 14.880 ( 3.907 -6.328 -1.205) 7.534 15.511 ( 3.789 -0.855 1.623) 4.209 17.914 ( -16.718 2.097 -0.489) 16.856 18.593 ( -4.008 -15.958 -8.755) 18.638 19.286 ( 2.042 10.021 6.522) 12.130 19.625 ( 7.182 1.310 -1.603) 7.474 23.311 ( 1.764 2.136 2.682) 3.855 23.893 ( 6.132 0.906 1.028) 6.283 ======================= Grid point 71 (60/294) ======================= q-point: (-0.25 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.460 ( 11.886 -6.250 -1.416) 13.504 3.873 ( 1.355 9.878 7.016) 12.192 4.119 ( 13.120 1.956 -0.085) 13.265 4.724 ( -8.774 7.428 -3.650) 12.062 5.253 ( -3.127 -0.101 -0.612) 3.188 5.556 ( -2.512 -13.844 -2.672) 14.322 5.909 ( 1.168 1.819 0.697) 2.271 6.209 ( -0.165 4.092 -1.866) 4.501 6.483 ( -10.241 1.444 -2.753) 10.702 7.888 ( -1.455 1.925 0.066) 2.414 8.577 ( -2.518 -10.646 -5.590) 12.285 8.791 ( -0.471 9.333 3.243) 9.891 9.356 ( 3.941 11.818 11.724) 17.107 10.308 ( 20.731 -1.113 -0.349) 20.764 10.978 ( 7.198 -12.527 0.000) 14.448 11.319 ( 6.774 9.536 -0.894) 11.731 11.721 ( -14.031 4.294 -1.755) 14.778 11.999 ( -6.693 1.504 0.666) 6.893 12.653 ( 0.096 -0.618 -1.669) 1.783 13.074 ( -6.453 3.309 0.734) 7.289 13.266 ( -5.200 -10.000 2.171) 11.478 13.590 ( -1.070 5.103 -8.529) 9.996 14.800 ( -2.751 -10.160 0.412) 10.534 15.584 ( 3.893 0.227 1.748) 4.274 17.674 ( -13.879 2.886 -3.886) 14.698 18.317 ( -2.721 -19.506 -7.582) 21.104 19.477 ( 3.035 12.330 7.289) 14.642 19.725 ( 4.739 0.819 -0.640) 4.852 23.373 ( 1.314 2.137 2.407) 3.476 24.017 ( 5.919 2.407 2.129) 6.735 ======================= Grid point 72 (61/294) ======================= q-point: (-0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.640 ( 13.065 -2.034 5.003) 14.137 4.021 ( -5.108 16.652 7.308) 18.889 4.260 ( 2.856 -3.554 5.377) 7.050 4.601 ( -6.560 5.067 -11.099) 13.853 5.170 ( -3.016 -4.719 -4.220) 7.012 5.421 ( 0.235 -6.060 -2.213) 6.455 5.972 ( 2.068 2.405 0.328) 3.188 6.210 ( -2.350 1.549 -2.508) 3.770 6.417 ( 1.084 2.801 2.829) 4.126 7.769 ( -8.431 -6.218 -6.198) 12.172 8.471 ( 0.823 -3.007 -1.580) 3.495 8.910 ( 2.204 6.941 5.834) 9.331 9.565 ( -1.304 10.984 11.985) 16.310 10.523 ( 8.013 -2.205 -3.782) 9.131 11.020 ( 7.938 -4.912 4.991) 10.585 11.443 ( -2.523 6.319 2.608) 7.286 11.608 ( -1.979 4.650 -4.221) 6.585 11.919 ( -2.981 0.435 0.020) 3.012 12.621 ( -1.280 -0.169 -2.629) 2.929 13.048 ( -2.144 1.071 -0.752) 2.512 13.143 ( 0.247 -6.896 1.628) 7.090 13.529 ( -1.857 -1.146 -12.744) 12.929 14.654 ( -5.269 -7.432 3.259) 9.675 15.648 ( 2.125 0.603 1.205) 2.516 17.487 ( -8.314 2.013 -5.468) 10.152 18.072 ( -1.155 -17.818 -4.918) 18.521 19.682 ( 3.298 10.054 7.015) 12.696 19.787 ( 1.908 2.265 -0.305) 2.977 23.417 ( 0.918 1.117 1.113) 1.825 24.142 ( 4.677 2.504 2.583) 5.900 ======================= Grid point 73 (62/294) ======================= q-point: (-0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.830 ( 0.246 -1.030 13.306) 13.348 4.044 ( -14.158 14.729 6.803) 21.533 4.216 ( -9.281 8.142 -5.538) 13.532 4.586 ( 11.662 -4.375 -3.965) 13.072 5.036 ( -2.054 -8.051 -4.295) 9.353 5.399 ( 1.260 -0.778 -1.485) 2.097 5.958 ( -7.706 6.124 -2.482) 10.151 6.222 ( 5.626 -2.000 1.086) 6.069 6.547 ( 8.203 0.500 4.362) 9.304 7.512 ( -8.069 -6.774 -7.003) 12.651 8.469 ( -1.793 1.140 1.917) 2.862 9.052 ( 5.750 2.500 3.934) 7.402 9.675 ( -4.622 9.601 11.865) 15.947 10.491 ( -2.637 -6.301 -3.841) 7.836 11.156 ( 0.740 5.459 4.458) 7.087 11.459 ( 0.175 5.949 -4.698) 7.583 11.613 ( 2.450 -2.532 4.440) 5.668 11.978 ( 6.440 5.258 0.194) 8.316 12.594 ( 0.107 -2.048 -0.500) 2.111 12.966 ( -1.581 -9.043 -1.138) 9.250 13.153 ( 1.630 -0.075 -3.677) 4.023 13.376 ( -2.435 -3.405 -10.972) 11.743 14.555 ( -4.744 -1.251 3.986) 6.321 15.675 ( -0.085 1.034 0.009) 1.038 17.386 ( -1.478 -0.646 -3.650) 3.991 17.897 ( -0.334 -11.449 -3.305) 11.921 19.780 ( 0.434 -0.100 0.563) 0.717 19.884 ( 1.530 8.774 4.591) 10.020 23.442 ( 1.350 0.112 -0.188) 1.368 24.234 ( 2.504 1.231 2.099) 3.491 ======================= Grid point 76 (63/294) ======================= q-point: ( 0.08 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.691 ( -17.482 -1.554 -3.961) 17.992 4.068 ( -20.286 11.126 1.135) 23.165 4.448 ( 6.522 -11.021 -0.387) 12.813 4.547 ( 13.415 -1.178 5.286) 14.467 4.998 ( 4.261 4.478 3.101) 6.916 5.379 ( 0.198 -1.577 1.669) 2.305 5.962 ( -7.065 3.161 0.344) 7.748 6.243 ( 5.421 -4.786 2.041) 7.513 6.549 ( 2.349 -5.192 -5.215) 7.725 7.534 ( 8.326 8.831 5.546) 13.344 8.464 ( -3.795 -0.791 0.315) 3.889 9.083 ( 2.139 -4.872 -3.925) 6.612 9.867 ( 1.196 -7.311 -5.281) 9.098 10.307 ( -10.236 6.974 9.101) 15.370 11.042 ( -14.976 2.136 -7.267) 16.783 11.596 ( 7.447 -1.990 0.689) 7.739 11.728 ( 10.902 -9.465 -0.891) 14.465 11.987 ( -1.060 -6.755 -5.981) 9.084 12.552 ( -0.428 3.010 5.845) 6.589 12.874 ( 0.380 9.686 3.221) 10.215 13.126 ( 0.335 -1.297 1.470) 1.989 13.381 ( 6.091 1.853 4.337) 7.704 14.585 ( -0.157 4.704 -2.509) 5.334 15.663 ( -2.450 0.809 -1.887) 3.196 17.412 ( 6.135 -0.669 8.894) 10.825 17.824 ( 1.895 7.395 -2.871) 8.156 19.756 ( -2.736 0.894 -1.791) 3.390 19.945 ( -2.093 -6.927 -0.814) 7.282 23.448 ( 1.258 -0.605 -1.101) 1.778 24.222 ( -2.559 -2.519 -1.919) 4.071 ======================= Grid point 77 (64/294) ======================= q-point: ( 0.17 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.378 ( -18.076 2.796 -1.499) 18.352 3.830 ( -23.236 10.394 4.669) 25.879 4.378 ( 2.641 -16.899 -1.332) 17.156 4.785 ( 9.780 -1.854 6.686) 11.991 5.147 ( 5.986 10.122 -2.867) 12.104 5.393 ( 1.972 -2.323 4.796) 5.682 5.903 ( -2.639 2.367 0.171) 3.549 6.264 ( 1.341 -5.318 2.593) 6.067 6.557 ( 8.449 -5.820 -2.435) 10.545 7.809 ( 8.939 8.928 3.961) 13.240 8.398 ( -3.644 0.507 2.814) 4.632 9.025 ( 2.026 -8.555 -5.651) 10.451 9.724 ( -3.022 -12.070 -8.533) 15.088 10.185 ( -21.027 6.433 9.475) 23.944 10.815 ( -11.137 6.956 -6.069) 14.465 11.556 ( -4.439 -13.655 -2.507) 14.576 11.810 ( 15.369 -6.401 -0.634) 16.661 12.033 ( 8.758 -1.878 -0.253) 8.961 12.602 ( 0.284 1.488 4.778) 5.012 13.020 ( 1.734 13.480 3.176) 13.957 13.144 ( 4.227 -1.217 -1.806) 4.755 13.536 ( 6.514 -0.838 8.441) 10.695 14.628 ( -0.891 9.802 -2.788) 10.230 15.599 ( -4.942 1.621 -3.084) 6.047 17.624 ( 12.708 -2.236 14.605) 19.488 17.949 ( 3.633 14.230 -3.817) 15.175 19.674 ( -6.146 -0.078 -4.134) 7.407 19.814 ( -3.259 -9.809 -0.060) 10.337 23.447 ( 1.277 -2.033 -2.611) 3.547 24.117 ( -4.278 -4.215 -3.276) 6.841 ======================= Grid point 78 (65/294) ======================= q-point: ( 0.25 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( -13.098 8.391 2.829) 15.810 3.568 ( -23.985 7.724 6.425) 26.004 4.220 ( 0.359 -18.133 -3.260) 18.427 4.877 ( 4.115 -5.541 2.301) 7.275 5.301 ( 4.369 4.861 -4.651) 8.022 5.492 ( 4.710 6.560 4.382) 9.188 5.936 ( 4.575 0.622 1.841) 4.971 6.254 ( 2.547 -4.917 2.559) 6.100 6.671 ( 10.214 -3.003 2.512) 10.938 7.941 ( 2.142 -0.498 -4.070) 4.626 8.457 ( 0.453 9.153 9.923) 13.508 8.927 ( 0.804 -10.882 -3.877) 11.580 9.456 ( -7.296 -14.388 -8.616) 18.289 9.877 ( -25.685 4.768 1.773) 26.184 10.742 ( -7.066 10.041 -0.521) 12.289 11.309 ( -7.736 -13.774 -2.255) 15.958 12.016 ( 14.754 -4.922 0.876) 15.578 12.139 ( 7.214 -4.047 1.984) 8.506 12.642 ( 1.179 0.757 1.126) 1.798 13.185 ( 2.657 6.400 2.417) 7.339 13.263 ( 10.668 7.863 -3.102) 13.611 13.664 ( 6.978 -4.608 7.137) 10.994 14.689 ( -3.956 11.993 -0.165) 12.630 15.506 ( -6.222 2.914 -3.504) 7.713 17.925 ( 17.635 -4.470 10.637) 21.074 18.167 ( 5.321 18.758 2.149) 19.616 19.507 ( -8.131 -3.607 -5.506) 10.461 19.675 ( -4.739 -7.096 1.156) 8.611 23.412 ( 0.115 -3.668 -4.020) 5.444 23.978 ( -4.818 -4.712 -3.719) 7.697 ======================= Grid point 79 (66/294) ======================= q-point: ( 0.33 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( -9.631 11.521 2.093) 15.161 3.289 ( -21.178 2.964 8.343) 22.955 4.038 ( 0.678 -16.089 -4.696) 16.774 4.901 ( 4.953 -4.678 0.217) 6.817 5.319 ( -0.989 0.267 -4.604) 4.717 5.639 ( 3.532 4.658 1.356) 6.001 6.097 ( 9.529 4.670 3.798) 11.271 6.293 ( 5.474 -4.435 2.103) 7.353 6.839 ( 8.831 0.106 4.455) 9.892 7.905 ( 0.975 -2.497 -4.078) 4.880 8.576 ( -4.661 7.376 3.249) 9.311 8.809 ( -2.627 -11.434 3.682) 12.296 9.181 ( -6.946 -9.261 -2.330) 11.809 9.554 ( -15.976 5.527 -5.194) 17.685 10.710 ( -7.730 5.295 1.676) 9.519 11.042 ( -8.091 -10.444 -3.383) 13.638 12.126 ( 3.704 -5.161 2.006) 6.662 12.260 ( 9.377 -2.413 1.452) 9.791 12.683 ( 4.111 -0.203 -1.030) 4.243 13.279 ( 2.072 3.531 3.088) 5.128 13.539 ( 15.310 8.058 -4.318) 17.832 13.772 ( 7.110 -3.622 3.955) 8.906 14.689 ( -9.381 8.311 2.781) 12.837 15.430 ( -4.820 4.763 -3.006) 7.413 18.207 ( 16.995 -1.513 -0.206) 17.063 18.477 ( 7.389 14.168 11.219) 19.524 19.305 ( -8.643 -3.124 -4.829) 10.382 19.541 ( -5.295 -5.612 1.661) 7.893 23.341 ( -1.024 -4.140 -4.291) 6.049 23.841 ( -4.215 -4.045 -3.198) 6.660 ======================= Grid point 80 (67/294) ======================= q-point: ( 0.42 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( -13.195 5.298 -1.132) 14.264 3.144 ( -6.114 2.531 7.230) 9.801 3.906 ( 0.898 -9.397 -3.210) 9.971 4.967 ( 7.081 -2.939 0.700) 7.698 5.239 ( -5.061 0.382 -4.330) 6.671 5.720 ( 2.363 1.257 1.324) 2.986 6.313 ( 6.737 2.978 4.923) 8.860 6.353 ( 5.346 -1.183 -1.937) 5.808 6.980 ( 4.694 0.655 3.010) 5.615 7.921 ( 3.706 0.425 -0.069) 3.731 8.481 ( -4.808 -1.222 -8.656) 9.977 8.635 ( -12.420 -7.471 10.543) 17.923 9.048 ( -3.428 -1.612 -0.998) 3.917 9.470 ( -0.078 6.074 -1.941) 6.377 10.585 ( -7.744 -4.521 0.754) 8.999 10.865 ( -4.349 -1.318 -2.663) 5.267 12.124 ( 0.556 -2.987 1.134) 3.243 12.353 ( 3.518 -1.031 0.320) 3.680 12.751 ( 4.544 -0.736 -0.626) 4.646 13.366 ( 3.097 1.771 2.975) 4.645 13.806 ( 12.341 1.684 -1.812) 12.587 13.866 ( 4.870 2.042 -1.521) 5.495 14.584 ( -11.051 2.649 3.685) 11.947 15.403 ( -2.348 4.184 -1.508) 5.029 18.443 ( 13.342 0.933 -3.069) 13.722 18.739 ( 4.470 6.173 8.661) 11.537 19.123 ( -8.519 -1.074 -2.122) 8.845 19.439 ( -2.551 -3.470 1.247) 4.484 23.267 ( -1.049 -2.742 -2.801) 4.058 23.739 ( -2.525 -2.372 -1.871) 3.937 ======================= Grid point 81 (68/294) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.912 ( 0.000 0.000 0.000) 0.000 3.131 ( 0.000 0.000 0.000) 0.000 3.859 ( -0.000 0.000 0.000) 0.000 5.040 ( -0.000 0.000 0.000) 0.000 5.160 ( 0.000 0.000 0.000) 0.000 5.750 ( 0.000 0.000 0.000) 0.000 6.363 ( 0.000 -0.000 0.000) 0.000 6.425 ( -0.000 0.000 -0.000) 0.000 7.030 ( -0.000 0.000 0.000) 0.000 7.976 ( -0.000 0.000 0.000) 0.000 8.391 ( 0.000 0.000 -0.000) 0.000 8.508 ( -0.000 -0.000 0.000) 0.000 9.010 ( -0.000 0.000 0.000) 0.000 9.516 ( -0.000 0.000 0.000) 0.000 10.484 ( 0.000 0.000 0.000) 0.000 10.820 ( 0.000 0.000 0.000) 0.000 12.116 ( 0.000 0.000 0.000) 0.000 12.375 ( -0.000 0.000 0.000) 0.000 12.785 ( 0.000 0.000 0.000) 0.000 13.416 ( -0.000 0.000 0.000) 0.000 13.880 ( -0.000 0.000 0.000) 0.000 13.954 ( -0.000 0.000 -0.000) 0.000 14.498 ( 0.000 0.000 0.000) 0.000 15.401 ( 0.000 0.000 0.000) 0.000 18.566 ( 0.000 0.000 0.000) 0.000 18.824 ( 0.000 0.000 0.000) 0.000 19.028 ( -0.000 0.000 0.000) 0.000 19.410 ( -0.000 0.000 0.000) 0.000 23.235 ( 0.000 0.000 0.000) 0.000 23.701 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 162 (69/294) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 0.000 0.000 46.728) 46.728 0.865 ( 0.000 0.000 46.630) 46.630 1.242 ( 0.000 0.000 67.828) 67.828 5.350 ( -0.000 -0.000 -2.501) 2.501 5.679 ( -0.000 -0.000 -6.959) 6.959 5.731 ( -0.000 -0.000 -4.049) 4.049 6.374 ( -0.000 -0.000 -10.532) 10.532 6.715 ( -0.000 -0.000 -2.429) 2.429 7.132 ( 0.000 0.000 16.258) 16.258 7.362 ( 0.000 0.000 18.398) 18.398 7.748 ( -0.000 -0.000 -1.188) 1.188 9.204 ( -0.000 -0.000 -9.629) 9.629 10.546 ( -0.000 -0.000 -3.937) 3.937 11.232 ( -0.000 -0.000 -3.592) 3.592 11.314 ( 0.000 0.000 1.065) 1.065 11.719 ( 0.000 0.000 1.616) 1.616 12.445 ( -0.000 -0.000 -0.088) 0.088 12.465 ( 0.000 0.000 1.535) 1.535 12.508 ( 0.000 0.000 1.860) 1.860 12.908 ( -0.000 -0.000 -0.988) 0.988 12.913 ( -0.000 -0.000 -0.604) 0.604 13.629 ( -0.000 -0.000 -1.607) 1.607 13.655 ( 0.000 0.000 4.188) 4.188 13.655 ( -0.000 -0.000 -0.459) 0.459 18.296 ( -0.000 -0.000 -12.338) 12.338 18.509 ( -0.000 -0.000 -3.446) 3.446 19.548 ( 0.000 0.000 2.143) 2.143 19.715 ( 0.000 0.000 8.649) 8.649 23.703 ( -0.000 -0.000 -3.104) 3.104 24.375 ( 0.000 0.000 2.144) 2.144 ======================= Grid point 163 (70/294) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 17.150 8.404 30.463) 35.954 1.488 ( 16.346 23.578 39.251) 48.618 2.105 ( 36.394 12.499 51.932) 64.635 5.258 ( -7.137 -1.778 -2.287) 7.703 5.505 ( -6.232 -7.712 -8.455) 13.031 5.679 ( -2.533 -3.216 -1.727) 4.444 6.356 ( 0.921 1.222 -4.273) 4.539 6.732 ( -3.105 5.994 2.209) 7.102 7.081 ( -7.632 -10.518 17.316) 21.650 7.415 ( 2.533 -7.558 17.074) 18.843 7.924 ( 8.312 14.317 -3.335) 16.887 9.016 ( -9.700 -5.366 -2.535) 11.372 10.250 ( -27.018 -16.903 10.647) 33.602 10.591 ( -23.296 -14.797 18.895) 33.447 11.330 ( -5.334 5.008 1.245) 7.422 11.467 ( 3.371 -4.709 4.500) 7.334 12.185 ( -6.053 -1.631 1.939) 6.562 12.389 ( -0.188 -7.858 -2.160) 8.152 12.742 ( -2.411 13.023 -0.529) 13.255 12.918 ( 5.615 -6.290 -0.405) 8.441 13.200 ( -0.153 2.047 -5.189) 5.581 13.550 ( 2.741 -3.645 -0.663) 4.609 13.727 ( 5.031 6.889 1.037) 8.594 14.513 ( 43.326 23.768 -32.129) 58.943 18.182 ( -6.678 1.133 -14.635) 16.127 18.533 ( -0.746 -1.846 2.228) 2.988 19.321 ( -12.653 -4.408 5.751) 14.581 19.783 ( 4.590 -1.688 9.710) 10.873 23.689 ( 0.052 -0.414 -4.424) 4.443 24.358 ( -2.219 -1.213 4.679) 5.318 ======================= Grid point 164 (71/294) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 29.222 18.312 11.636) 36.396 2.223 ( 19.290 25.233 31.183) 44.510 3.082 ( 35.454 11.013 37.345) 52.659 5.091 ( -9.902 0.035 -2.226) 10.149 5.315 ( -2.489 -8.092 -5.025) 9.845 5.610 ( -0.571 -3.211 -0.876) 3.377 6.326 ( -6.094 -0.073 -0.919) 6.163 6.630 ( -13.503 -4.989 10.710) 17.942 7.019 ( 0.382 -1.604 0.052) 1.650 7.458 ( 2.106 -10.794 12.044) 16.310 8.180 ( 4.601 13.133 3.415) 14.329 8.927 ( 4.193 2.066 2.046) 5.102 9.829 ( -15.859 -12.279 7.289) 21.340 10.343 ( -9.065 -6.409 6.118) 12.676 11.198 ( -14.808 7.113 -2.434) 16.607 11.568 ( 9.423 -7.940 3.684) 12.861 12.113 ( -3.705 -1.171 5.511) 6.743 12.298 ( 1.833 -10.251 -4.622) 11.393 12.790 ( -6.343 12.725 -0.990) 14.253 12.946 ( 0.972 -0.494 -0.148) 1.100 13.118 ( -2.597 -4.260 -3.304) 5.984 13.546 ( 0.942 -2.946 -1.755) 3.557 13.930 ( 10.151 6.607 2.080) 12.289 15.009 ( 23.099 11.135 -21.604) 33.530 17.973 ( -9.810 2.259 -13.090) 16.513 18.374 ( -16.408 -9.978 16.489) 25.311 19.304 ( 7.905 5.024 -9.284) 13.188 19.897 ( 3.891 -1.571 9.160) 10.075 23.640 ( -1.266 -2.149 -4.124) 4.820 24.340 ( -2.444 -0.414 3.551) 4.330 ======================= Grid point 165 (72/294) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 31.245 20.135 1.795) 37.214 2.924 ( 18.159 23.525 24.089) 38.255 3.845 ( 25.460 5.380 24.678) 35.863 4.945 ( -8.285 2.416 0.029) 8.630 5.201 ( -1.275 -6.061 -2.854) 6.820 5.595 ( 0.935 -1.627 1.127) 2.189 6.058 ( -16.940 -9.943 -1.770) 19.722 6.513 ( -4.882 -1.848 9.401) 10.753 6.983 ( -4.767 1.501 -4.615) 6.803 7.441 ( 1.236 -10.613 9.148) 14.065 8.308 ( 0.528 4.477 2.349) 5.083 9.203 ( 15.786 7.562 5.479) 18.342 9.565 ( -7.180 -6.852 1.241) 10.002 10.227 ( -4.605 -1.634 3.489) 6.003 11.007 ( -13.322 8.256 -6.158) 16.839 11.633 ( 5.869 -10.516 5.480) 13.231 12.088 ( -2.408 -4.511 5.115) 7.232 12.215 ( 3.541 -9.504 -2.726) 10.502 12.751 ( -11.674 11.943 -3.359) 17.035 12.903 ( -7.644 5.933 -2.473) 9.987 13.067 ( 5.481 -9.058 0.369) 10.594 13.500 ( -1.491 -4.034 -0.957) 4.405 14.174 ( 10.568 6.225 1.921) 12.414 15.286 ( 15.139 6.373 -13.274) 21.118 17.772 ( -9.366 1.429 -7.027) 11.796 18.109 ( -16.217 -8.365 15.317) 23.824 19.451 ( 10.569 5.380 -11.592) 16.584 19.982 ( 2.107 -1.377 7.445) 7.859 23.565 ( -1.724 -3.284 -3.754) 5.277 24.312 ( -2.782 0.513 1.243) 3.090 ======================= Grid point 166 (73/294) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( 28.755 19.376 -5.636) 35.129 3.506 ( 13.125 19.631 16.912) 29.046 4.273 ( 12.747 -4.838 14.145) 19.646 4.872 ( -6.424 4.373 2.714) 8.231 5.109 ( -3.562 -3.595 -1.204) 5.202 5.559 ( -7.012 -5.625 3.778) 9.751 5.782 ( -1.243 -3.875 -0.739) 4.136 6.468 ( -5.895 -1.353 5.451) 8.142 6.833 ( -9.471 -1.086 -4.919) 10.728 7.432 ( 2.102 -7.760 7.379) 10.913 8.359 ( 2.951 1.593 -2.359) 4.100 9.249 ( -3.969 -7.913 -6.956) 11.259 9.749 ( 14.714 6.909 16.168) 22.927 10.198 ( -1.731 5.729 -2.895) 6.648 10.886 ( -5.805 9.722 -7.329) 13.488 11.631 ( 3.094 -12.408 5.211) 13.809 11.979 ( -3.591 -9.142 0.032) 9.822 12.210 ( 1.280 -4.731 3.115) 5.808 12.611 ( -12.883 9.648 -4.707) 16.770 12.833 ( -4.536 3.410 -2.124) 6.060 13.099 ( 4.586 -4.583 3.183) 7.222 13.420 ( -2.445 -5.423 0.739) 5.994 14.390 ( 7.808 5.483 1.065) 9.600 15.471 ( 10.200 3.870 -8.342) 13.733 17.616 ( -7.739 -2.438 2.400) 8.462 17.906 ( -11.382 -2.237 8.657) 14.474 19.584 ( 8.568 3.688 -9.915) 13.613 20.027 ( 0.248 -1.157 4.733) 4.879 23.487 ( -1.304 -3.190 -3.405) 4.845 24.278 ( -2.409 1.148 -0.917) 2.821 ======================= Grid point 167 (74/294) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.633 ( 15.100 15.290 -11.899) 24.564 3.924 ( 12.328 12.703 7.493) 19.222 4.380 ( 5.655 -12.753 6.594) 15.430 4.785 ( -13.758 3.220 4.425) 14.807 5.003 ( -4.515 -4.456 3.672) 7.330 5.430 ( -3.350 -2.871 3.457) 5.605 5.880 ( 8.721 3.839 1.875) 9.712 6.348 ( -7.837 -4.638 1.791) 9.282 6.645 ( -8.797 -0.086 -2.826) 9.240 7.445 ( 1.595 -5.242 6.421) 8.441 8.411 ( 4.968 0.662 -5.753) 7.630 9.066 ( -2.296 -6.545 -11.024) 13.025 9.990 ( -3.259 0.417 7.877) 8.535 10.276 ( 5.258 7.729 1.406) 9.453 10.948 ( 7.279 11.141 -7.839) 15.445 11.577 ( 1.635 -10.354 2.605) 10.801 11.820 ( -7.741 -7.824 1.218) 11.074 12.146 ( -8.010 4.349 -2.134) 9.361 12.538 ( -0.659 -0.440 2.938) 3.043 12.792 ( -0.819 0.226 -2.293) 2.445 13.165 ( 1.879 0.698 6.998) 7.280 13.347 ( -0.638 -5.963 2.871) 6.649 14.526 ( 3.036 4.096 -0.423) 5.116 15.589 ( 6.268 1.936 -5.360) 8.471 17.504 ( -5.833 -5.823 9.543) 12.609 17.812 ( -5.602 3.322 4.011) 7.649 19.676 ( 6.147 1.874 -7.585) 9.941 20.024 ( -1.633 -0.821 1.202) 2.188 23.432 ( -0.029 -1.757 -2.782) 3.291 24.249 ( -1.271 1.212 -2.408) 2.981 ======================= Grid point 168 (75/294) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.722 ( -1.446 -2.652 -14.205) 14.523 4.140 ( -0.480 -0.076 -4.735) 4.760 4.397 ( 0.745 1.591 -4.957) 5.259 4.599 ( -8.839 -0.158 15.925) 18.214 4.962 ( 0.737 -4.767 5.153) 7.059 5.414 ( -0.303 -0.004 3.691) 3.703 6.032 ( 0.412 0.160 0.022) 0.443 6.217 ( -1.873 -1.143 3.181) 3.864 6.562 ( -1.162 4.644 -1.645) 5.062 7.459 ( 0.482 -3.715 6.549) 7.544 8.429 ( 1.950 -2.506 -7.330) 7.988 8.967 ( 4.568 -0.885 -13.045) 13.850 9.838 ( -13.600 1.437 -6.005) 14.936 10.390 ( 2.926 -5.987 4.270) 7.915 11.158 ( 8.078 8.001 -7.158) 13.435 11.555 ( 0.719 -1.193 0.582) 1.510 11.614 ( -8.480 -1.278 0.765) 8.610 12.098 ( -3.955 9.005 0.521) 9.849 12.556 ( 2.450 -6.009 4.618) 7.965 12.796 ( 4.593 -3.601 -0.469) 5.855 13.223 ( -2.207 0.710 7.889) 8.222 13.364 ( 4.162 -2.045 8.009) 9.254 14.552 ( -2.520 2.173 -2.207) 3.993 15.647 ( 3.067 0.263 -3.757) 4.857 17.441 ( -3.119 -4.797 10.801) 12.223 17.829 ( -0.477 4.491 5.143) 6.844 19.727 ( 3.975 -0.033 -5.658) 6.914 19.974 ( -3.479 -0.038 -2.787) 4.458 23.425 ( 1.718 0.322 -1.765) 2.484 24.232 ( 0.095 0.831 -3.195) 3.303 ======================= Grid point 169 (76/294) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.397 ( -12.857 -19.205 -16.196) 28.221 3.824 ( -25.705 -6.000 -9.871) 28.181 4.374 ( -4.893 4.967 6.274) 9.379 4.690 ( 3.554 -3.307 3.710) 6.110 4.983 ( 4.518 -2.761 3.055) 6.113 5.487 ( 4.107 4.016 5.813) 8.172 5.929 ( -7.098 -2.663 3.268) 8.256 6.262 ( 2.156 1.729 -1.061) 2.961 6.660 ( 5.346 7.442 -2.409) 9.474 7.470 ( -0.296 -3.470 7.536) 8.302 8.342 ( -2.079 -4.346 -7.209) 8.671 9.034 ( 10.221 4.207 -13.500) 17.447 9.586 ( -12.474 0.888 -6.786) 14.228 10.298 ( -2.454 -12.895 -4.582) 13.903 11.130 ( -7.497 0.669 -3.879) 8.468 11.615 ( -1.409 3.159 8.101) 8.808 11.634 ( 8.321 9.571 -8.680) 15.369 12.178 ( 0.729 8.271 4.677) 9.529 12.555 ( 1.483 -4.099 1.301) 4.549 12.866 ( 8.856 -6.301 2.871) 11.242 13.226 ( -1.913 -1.602 7.262) 7.679 13.496 ( 3.780 1.257 11.862) 12.513 14.462 ( -7.516 0.030 -3.856) 8.447 15.651 ( 0.583 -0.982 -3.304) 3.496 17.453 ( 0.429 -0.842 9.788) 9.833 17.934 ( 3.744 3.072 8.787) 10.033 19.732 ( 1.798 -2.247 -4.955) 5.730 19.881 ( -5.059 1.310 -6.570) 8.395 23.471 ( 3.277 2.007 -0.604) 3.890 24.227 ( 1.027 0.377 -3.390) 3.562 ======================= Grid point 170 (77/294) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( -20.499 -25.044 -15.029) 35.683 3.193 ( -34.507 -8.112 -13.088) 37.787 4.193 ( -25.042 -13.527 14.465) 31.927 4.747 ( 8.964 2.413 -3.868) 10.057 5.101 ( 8.721 -0.597 2.145) 9.001 5.658 ( 3.731 8.466 5.011) 10.522 5.845 ( -3.884 -0.942 3.539) 5.339 6.311 ( 4.001 2.230 -1.208) 4.737 6.785 ( 4.922 5.543 -5.101) 8.998 7.465 ( -1.349 -5.007 6.926) 8.652 8.234 ( -2.723 -1.986 -3.807) 5.084 9.165 ( 8.483 5.965 -12.236) 16.040 9.383 ( -8.371 -2.670 -4.534) 9.888 10.094 ( -1.852 -8.264 -8.603) 12.072 11.041 ( -2.089 3.207 -3.482) 5.175 11.677 ( -0.547 2.080 9.292) 9.538 11.794 ( 6.187 7.579 -7.121) 12.101 12.288 ( 1.314 4.723 4.223) 6.470 12.554 ( 1.503 -0.338 -2.480) 2.919 12.992 ( 9.755 -4.665 4.975) 11.903 13.222 ( -1.810 -2.992 8.111) 8.833 13.622 ( 1.443 1.072 11.020) 11.165 14.274 ( -10.869 -2.001 -5.148) 12.192 15.612 ( -1.035 -1.675 -3.914) 4.382 17.564 ( 4.482 4.135 9.540) 11.323 18.104 ( 6.835 1.031 12.070) 13.909 19.672 ( -2.268 -2.989 -6.951) 7.899 19.766 ( -4.553 1.113 -8.530) 9.733 23.553 ( 4.130 2.643 0.241) 4.909 24.229 ( 1.181 0.144 -2.896) 3.131 ======================= Grid point 171 (78/294) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -25.316 -26.125 -11.067) 38.026 2.427 ( -39.624 -9.522 -14.464) 43.243 3.540 ( -41.607 -26.193 14.946) 51.387 4.945 ( 12.212 3.320 -0.440) 12.663 5.261 ( 8.144 2.580 2.769) 8.980 5.769 ( -0.492 0.527 -1.686) 1.834 5.826 ( -1.061 6.832 6.089) 9.213 6.458 ( 9.384 4.345 2.187) 10.570 6.850 ( 2.377 2.599 -5.979) 6.939 7.398 ( -3.542 -7.898 2.977) 9.153 8.185 ( -2.408 2.398 0.429) 3.425 9.105 ( -11.791 -6.509 -1.289) 13.530 9.330 ( 8.677 3.152 -8.702) 12.687 10.069 ( 7.587 2.681 -7.035) 10.688 11.074 ( 3.432 5.088 -3.560) 7.095 11.715 ( -2.736 -1.901 8.030) 8.694 11.906 ( 5.333 5.234 -2.446) 7.862 12.357 ( 1.580 1.575 1.969) 2.975 12.569 ( 1.958 2.504 -5.193) 6.088 13.131 ( 4.007 2.795 3.301) 5.896 13.205 ( 0.593 -9.173 10.147) 13.691 13.686 ( -1.658 0.577 7.718) 7.915 14.028 ( -11.751 -3.663 -5.894) 13.647 15.544 ( -1.441 -1.892 -6.544) 6.963 17.792 ( 8.339 8.932 11.665) 16.893 18.305 ( 7.970 -0.571 13.174) 15.408 19.512 ( -8.356 -0.663 -11.598) 14.310 19.661 ( -1.493 -2.741 -7.989) 8.577 23.646 ( 4.083 2.269 0.247) 4.678 24.233 ( 0.765 0.128 -1.235) 1.458 ======================= Grid point 172 (79/294) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -28.988 -22.515 -0.934) 36.717 1.583 ( -42.640 -10.739 -11.904) 45.555 2.616 ( -50.242 -33.730 23.179) 64.801 5.157 ( 9.830 2.931 -1.231) 10.331 5.446 ( 8.738 4.733 2.275) 10.194 5.697 ( 0.093 -3.869 -6.873) 7.888 6.014 ( 2.984 10.705 22.919) 25.471 6.621 ( 5.878 -0.640 -7.397) 9.470 6.868 ( -0.167 4.046 4.214) 5.844 7.247 ( -4.758 -10.859 0.325) 11.860 8.178 ( -4.011 6.714 -5.371) 9.488 8.874 ( -7.684 -8.163 10.561) 15.401 9.487 ( 10.134 4.480 -0.976) 11.124 10.247 ( 11.379 6.588 -3.803) 13.687 11.176 ( 4.808 5.516 -3.397) 8.068 11.642 ( -6.491 -5.730 6.662) 10.925 12.045 ( 6.627 4.768 -0.809) 8.204 12.400 ( 2.374 -0.856 1.256) 2.819 12.602 ( 2.170 4.152 -5.206) 7.004 13.112 ( -7.386 -0.960 4.978) 8.959 13.275 ( 6.545 -4.392 5.819) 9.797 13.659 ( -5.484 -1.572 0.921) 5.778 13.793 ( -8.066 -2.885 -3.021) 9.084 15.435 ( -2.294 -2.848 -17.089) 17.476 18.138 ( 11.174 12.624 16.756) 23.770 18.485 ( 5.520 -0.390 9.328) 10.846 19.260 ( -11.064 -2.357 -13.187) 17.374 19.577 ( 0.781 -3.841 -6.206) 7.340 23.720 ( 3.059 1.382 -1.167) 3.554 24.246 ( 0.503 0.129 2.278) 2.336 ======================= Grid point 175 (80/294) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -8.361 7.206 39.909) 41.407 1.516 ( 14.762 7.725 41.516) 44.734 2.524 ( -3.863 42.234 50.454) 65.911 5.221 ( 2.171 -8.712 -4.365) 9.983 5.495 ( -4.147 -4.092 -8.931) 10.664 5.666 ( -0.619 -2.570 -1.869) 3.237 6.324 ( 1.378 3.896 -8.808) 9.729 6.744 ( 4.106 3.715 2.567) 6.104 7.261 ( -0.282 -8.579 18.993) 20.842 7.439 ( -12.218 -9.506 17.529) 23.387 7.886 ( 8.750 10.230 -0.631) 13.476 9.002 ( 0.352 -5.099 -8.233) 9.691 10.262 ( -0.841 -23.315 -2.317) 23.445 10.667 ( -1.343 -41.098 19.385) 45.460 11.217 ( 3.579 -5.532 -1.496) 6.757 11.656 ( -2.119 6.626 8.321) 10.846 12.155 ( -0.133 -9.287 0.270) 9.292 12.460 ( -6.546 -1.228 1.632) 6.857 12.626 ( 8.769 -3.011 -0.254) 9.275 13.012 ( -2.162 10.515 -0.379) 10.742 13.259 ( 0.524 13.186 -6.889) 14.886 13.500 ( -3.699 -3.522 -0.283) 5.115 13.719 ( 3.247 5.896 2.010) 7.025 14.302 ( -1.094 39.872 -21.785) 45.448 18.203 ( 5.762 7.468 -16.391) 18.911 18.494 ( -3.722 4.494 -6.237) 8.541 19.443 ( 4.966 -14.689 10.594) 18.779 19.693 ( -5.472 -10.217 11.074) 16.030 23.665 ( -0.415 0.231 -4.602) 4.626 24.383 ( 0.217 -2.343 3.397) 4.133 ======================= Grid point 176 (81/294) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 11.413 16.564 25.401) 32.402 2.183 ( 26.125 8.889 32.873) 42.921 3.227 ( 7.751 36.829 42.135) 56.496 5.140 ( 0.983 -8.749 -3.282) 9.396 5.282 ( -8.857 -2.492 -7.390) 11.801 5.619 ( -2.052 -1.320 0.915) 2.606 6.326 ( 0.699 -0.344 -8.050) 8.088 6.879 ( 1.248 4.827 3.383) 6.025 7.039 ( -18.238 -10.930 14.792) 25.901 7.398 ( 2.903 -10.501 11.544) 15.874 8.176 ( 11.310 11.230 0.873) 15.962 8.919 ( -0.170 -0.500 -2.601) 2.654 9.905 ( -11.084 -24.189 0.892) 26.623 10.363 ( -4.936 -24.030 9.915) 26.460 11.272 ( 6.929 -7.794 0.149) 10.430 11.630 ( -11.854 9.478 4.762) 15.906 12.066 ( 2.262 -10.726 -2.794) 11.312 12.316 ( -10.590 0.052 4.277) 11.421 12.743 ( 9.623 -6.554 -0.748) 11.667 13.047 ( -8.119 13.618 1.758) 15.952 13.269 ( -6.836 10.648 -7.326) 14.621 13.486 ( 3.302 -3.329 2.023) 5.106 13.868 ( 6.219 8.023 1.155) 10.216 14.662 ( 19.148 20.647 -18.769) 33.841 18.139 ( -11.568 11.469 -14.782) 21.996 18.506 ( 1.692 -2.283 0.267) 2.854 19.271 ( -8.069 -5.547 2.790) 10.182 19.766 ( 11.211 -10.961 11.501) 19.445 23.617 ( -1.427 -1.622 -4.609) 5.090 24.373 ( -0.676 -2.843 2.912) 4.125 ======================= Grid point 177 (82/294) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 21.848 19.003 11.233) 31.059 2.866 ( 25.721 9.207 25.107) 37.104 3.882 ( 8.901 24.854 30.023) 39.979 5.049 ( -2.830 -6.476 1.073) 7.148 5.133 ( -2.226 1.073 -8.202) 8.566 5.603 ( -0.895 -0.098 3.750) 3.857 6.163 ( -10.216 -10.304 -7.135) 16.170 6.707 ( -14.040 -5.820 16.133) 22.165 7.001 ( 0.554 3.837 -5.357) 6.613 7.400 ( 0.951 -8.764 10.207) 13.487 8.355 ( 0.616 5.596 -3.527) 6.643 9.056 ( 13.341 4.113 5.778) 15.109 9.548 ( -6.216 -18.107 -2.150) 19.264 10.204 ( 1.076 -14.254 5.654) 15.372 11.212 ( -5.048 -5.433 -2.350) 7.779 11.592 ( -6.007 6.056 5.301) 10.043 11.991 ( 4.903 -12.728 -5.139) 14.576 12.200 ( -7.350 -1.101 7.677) 10.685 12.805 ( 6.732 -6.297 -2.253) 9.489 13.014 ( -8.575 6.642 0.950) 10.888 13.188 ( -11.560 13.903 -6.278) 19.140 13.505 ( -0.774 -1.215 2.299) 2.713 14.088 ( 9.815 8.675 2.005) 13.252 15.009 ( 17.526 10.783 -13.033) 24.358 17.950 ( -13.367 9.171 -10.124) 19.112 18.398 ( -13.440 -7.075 14.230) 20.813 19.253 ( 8.304 3.745 -11.575) 14.729 19.897 ( 8.336 -8.976 9.278) 15.367 23.538 ( -1.918 -3.193 -4.428) 5.786 24.344 ( -1.134 -2.933 1.272) 3.392 ======================= Grid point 178 (83/294) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( 25.176 18.020 1.261) 30.986 3.462 ( 21.606 8.131 17.541) 28.994 4.271 ( 1.444 8.023 15.639) 17.636 4.962 ( -2.627 -3.450 3.076) 5.317 5.119 ( 0.673 5.776 -5.255) 7.838 5.603 ( -1.930 -5.691 5.257) 7.984 5.834 ( -11.226 -6.970 0.028) 13.214 6.584 ( -7.420 -4.092 7.660) 11.423 6.928 ( -6.533 -0.676 -5.242) 8.403 7.417 ( 0.627 -2.698 9.469) 9.866 8.330 ( -1.481 1.486 -6.639) 6.962 9.133 ( -0.820 -14.845 -7.762) 16.772 9.617 ( 19.077 4.685 12.555) 23.313 10.173 ( 3.294 -5.144 -0.669) 6.145 11.066 ( -6.643 1.534 -3.281) 7.566 11.539 ( -5.594 -3.981 2.270) 7.231 11.944 ( 3.264 -8.813 1.204) 9.475 12.146 ( -1.130 -5.773 7.086) 9.210 12.808 ( -0.290 -2.124 -2.959) 3.653 12.920 ( -8.091 5.197 -5.427) 11.042 13.108 ( -7.374 9.276 -0.824) 11.879 13.465 ( -4.598 -1.347 3.845) 6.143 14.341 ( 8.562 9.259 2.544) 12.865 15.273 ( 13.197 6.673 -8.690) 17.152 17.772 ( -11.590 4.522 -3.121) 12.826 18.196 ( -15.549 -2.297 15.148) 21.829 19.386 ( 11.235 4.373 -13.586) 18.164 19.974 ( 5.043 -7.617 6.205) 11.043 23.452 ( -1.336 -3.484 -4.234) 5.644 24.299 ( -1.274 -2.640 -0.870) 3.057 ======================= Grid point 179 (84/294) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.392 ( 22.126 14.302 -6.473) 27.129 3.900 ( 13.222 7.135 8.467) 17.246 4.277 ( -3.427 -7.834 3.052) 9.080 4.944 ( -0.543 -1.772 4.304) 4.686 5.123 ( -8.740 2.746 2.627) 9.531 5.469 ( -3.963 -6.680 5.170) 9.331 5.813 ( 4.630 3.368 4.814) 7.480 6.425 ( -8.303 -7.185 -0.224) 10.982 6.774 ( -8.256 -1.128 -0.470) 8.346 7.470 ( -0.714 1.996 8.328) 8.593 8.296 ( 2.684 -0.026 -8.911) 9.307 8.921 ( -0.132 -12.928 -11.815) 17.514 10.013 ( 8.392 -2.702 15.523) 17.852 10.210 ( 9.309 6.035 -10.149) 15.036 11.006 ( -4.932 8.360 -2.873) 10.123 11.418 ( 1.783 -11.503 0.622) 11.657 11.899 ( -5.384 -3.864 4.945) 8.269 12.150 ( 4.890 -8.750 7.063) 12.262 12.694 ( -13.060 6.937 -5.896) 15.919 12.816 ( -2.631 0.530 -5.547) 6.162 13.145 ( 3.038 2.106 5.042) 6.252 13.395 ( -5.440 -1.022 5.190) 7.588 14.543 ( 3.754 8.977 2.149) 9.965 15.455 ( 8.801 3.887 -5.976) 11.326 17.624 ( -9.058 -1.109 4.313) 10.093 18.063 ( -12.310 5.002 11.985) 17.894 19.510 ( 9.380 2.491 -11.677) 15.183 19.994 ( 2.371 -6.647 2.669) 7.545 23.390 ( 0.237 -2.274 -3.859) 4.486 24.248 ( -0.780 -2.160 -2.704) 3.548 ======================= Grid point 180 (85/294) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.641 ( 1.923 0.473 -11.785) 11.950 4.072 ( 4.549 2.452 -4.107) 6.601 4.277 ( 8.809 -2.331 1.928) 9.314 4.883 ( -12.558 -6.046 0.371) 13.942 4.969 ( -4.238 -2.225 13.153) 13.996 5.448 ( -1.019 -0.198 4.623) 4.738 5.991 ( 6.098 3.713 2.406) 7.534 6.251 ( -3.321 -4.801 1.353) 5.992 6.645 ( -6.294 -0.587 0.844) 6.378 7.521 ( -2.495 4.304 6.915) 8.519 8.298 ( 4.300 -1.542 -9.037) 10.126 8.781 ( 3.956 -5.588 -13.370) 15.021 9.966 ( -6.204 -5.030 -6.284) 10.162 10.372 ( 0.183 0.310 2.363) 2.390 11.042 ( 5.565 7.862 -7.085) 11.957 11.453 ( 8.964 -5.830 3.985) 11.412 11.764 ( -9.124 -1.478 2.361) 9.540 12.212 ( 3.199 -2.089 7.624) 8.527 12.509 ( -7.879 -0.647 -4.426) 9.060 12.774 ( -1.288 1.134 -1.033) 2.003 13.254 ( 3.768 -4.237 7.948) 9.763 13.369 ( -1.067 4.069 5.927) 7.269 14.641 ( -2.577 7.586 0.880) 8.060 15.559 ( 5.049 1.470 -4.575) 6.971 17.518 ( -5.528 -4.597 9.015) 11.531 18.036 ( -8.481 10.155 10.762) 17.054 19.588 ( 6.929 -0.589 -9.689) 11.926 19.963 ( 0.187 -5.116 -0.968) 5.210 23.377 ( 2.254 -0.229 -3.196) 3.918 24.206 ( 0.257 -1.528 -3.783) 4.088 ======================= Grid point 181 (86/294) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.381 ( -13.794 -12.066 -12.098) 21.960 4.053 ( -11.471 -2.762 -5.624) 13.071 4.371 ( 5.978 2.966 -8.775) 11.024 4.688 ( -2.994 -8.667 11.469) 14.684 4.987 ( -1.928 0.568 6.041) 6.367 5.489 ( 2.608 1.622 6.558) 7.241 6.001 ( -3.361 -1.072 -0.322) 3.543 6.271 ( 0.368 -0.550 5.547) 5.587 6.618 ( 3.426 1.416 -1.099) 3.867 7.545 ( -3.766 4.025 4.518) 7.127 8.284 ( 0.916 -0.715 -5.173) 5.302 8.798 ( 10.125 2.025 -14.865) 18.100 9.726 ( -9.909 -5.395 -9.843) 14.973 10.252 ( -8.434 -6.478 -1.213) 10.703 11.161 ( 3.001 1.656 -5.669) 6.624 11.542 ( 5.170 4.036 -5.652) 8.658 11.709 ( -1.205 2.751 6.084) 6.785 12.276 ( -2.779 5.818 0.513) 6.468 12.432 ( 6.818 -11.832 6.787) 15.249 12.783 ( 0.524 1.157 2.932) 3.196 13.264 ( -0.482 -4.369 6.520) 7.864 13.507 ( 4.950 3.988 8.493) 10.608 14.609 ( -8.733 5.116 -0.776) 10.151 15.594 ( 2.102 -0.142 -4.487) 4.957 17.479 ( -0.659 -5.653 11.355) 12.701 18.102 ( -5.251 12.782 11.953) 18.271 19.601 ( 4.750 -4.908 -8.932) 11.244 19.899 ( -1.846 -2.298 -4.301) 5.214 23.417 ( 3.978 1.473 -2.418) 4.883 24.186 ( 1.321 -0.641 -3.949) 4.213 ======================= Grid point 182 (87/294) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( -21.454 -13.799 -9.203) 27.118 3.589 ( -30.449 -5.996 -9.589) 32.482 4.470 ( -0.678 -1.279 3.592) 3.873 4.602 ( -3.159 -8.806 5.234) 10.720 5.027 ( 4.048 3.861 1.384) 5.763 5.645 ( 7.067 2.717 7.253) 10.485 5.930 ( -4.272 -0.783 1.145) 4.491 6.282 ( 0.532 -0.565 2.851) 2.955 6.710 ( 6.109 0.356 -1.807) 6.381 7.524 ( -4.531 2.196 0.562) 5.066 8.272 ( -2.428 3.538 1.770) 4.642 8.937 ( 13.516 4.936 -14.957) 20.754 9.467 ( -8.705 -6.197 -8.122) 13.422 10.040 ( -7.201 -4.491 -4.895) 9.797 11.106 ( -4.022 0.681 -2.298) 4.682 11.687 ( 8.945 8.388 -10.396) 16.076 11.758 ( -0.609 1.868 6.308) 6.607 12.248 ( 1.869 -5.834 -1.915) 6.419 12.533 ( 4.997 -2.126 6.783) 8.689 12.864 ( 4.963 -0.321 8.854) 10.156 13.258 ( -0.337 -2.865 4.885) 5.673 13.660 ( 3.540 2.291 8.206) 9.226 14.452 ( -13.337 1.884 -2.243) 13.655 15.574 ( -0.218 -0.554 -5.880) 5.910 17.536 ( 5.309 -5.716 13.173) 15.310 18.242 ( -2.749 14.074 13.787) 19.893 19.542 ( 3.053 -9.076 -9.497) 13.487 19.810 ( -4.167 0.891 -7.243) 8.403 23.495 ( 4.952 1.980 -1.864) 5.649 24.189 ( 1.836 0.445 -3.118) 3.646 ======================= Grid point 183 (88/294) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( -27.564 -8.600 -1.410) 28.909 2.920 ( -37.931 -4.645 -10.479) 39.625 4.066 ( -34.884 -15.854 12.449) 40.289 4.741 ( 13.429 0.011 0.934) 13.462 5.189 ( 7.699 6.470 0.848) 10.092 5.741 ( -0.694 -3.662 -0.618) 3.778 5.918 ( 2.811 1.506 7.018) 7.709 6.350 ( 6.355 0.490 1.255) 6.497 6.795 ( 5.048 0.311 1.257) 5.211 7.440 ( -6.358 0.759 -4.312) 7.720 8.296 ( -3.290 4.664 8.061) 9.877 9.120 ( 11.899 3.744 -10.128) 16.068 9.217 ( -9.297 -5.211 -6.665) 12.570 9.949 ( 2.203 2.629 -5.687) 6.641 11.084 ( 0.226 3.602 -0.729) 3.682 11.763 ( -0.421 1.492 -2.507) 2.948 11.845 ( 5.462 2.375 1.489) 6.139 12.230 ( 6.159 -7.904 -3.656) 10.667 12.603 ( 0.811 2.584 2.108) 3.432 13.017 ( 6.868 -3.571 12.063) 14.333 13.255 ( -0.864 -0.522 2.663) 2.848 13.749 ( 0.375 0.723 5.201) 5.264 14.202 ( -15.531 -1.280 -2.754) 15.825 15.508 ( -2.177 0.185 -9.162) 9.419 17.705 ( 11.852 -6.124 15.414) 20.385 18.427 ( -1.188 13.562 13.674) 19.295 19.426 ( 1.145 -10.222 -9.519) 14.014 19.692 ( -6.362 3.231 -9.986) 12.274 23.582 ( 5.109 1.348 -1.855) 5.600 24.213 ( 1.637 1.249 -1.160) 2.363 ======================= Grid point 184 (89/294) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -31.499 3.093 11.561) 33.696 2.181 ( -42.962 -0.363 -8.080) 43.716 3.315 ( -47.875 -19.005 19.759) 55.169 4.972 ( 13.176 1.191 0.965) 13.265 5.358 ( 6.354 4.512 -3.025) 8.360 5.636 ( -1.681 -5.653 -4.280) 7.287 6.106 ( 9.164 -1.112 20.541) 22.520 6.466 ( 7.714 0.212 -4.979) 9.183 6.914 ( 3.934 3.398 8.377) 9.859 7.283 ( -8.561 -0.491 -6.903) 11.008 8.320 ( -4.971 3.335 5.857) 8.375 8.967 ( -8.932 -5.556 1.109) 10.577 9.337 ( 12.369 6.535 -2.202) 14.162 10.077 ( 11.210 5.618 -4.754) 13.410 11.160 ( 3.508 5.583 0.030) 6.594 11.700 ( -4.084 -6.059 1.457) 7.451 11.968 ( 6.449 2.600 0.187) 6.956 12.253 ( 7.275 -6.355 -3.513) 10.279 12.658 ( 0.317 6.995 -0.184) 7.005 13.095 ( 1.558 -11.098 9.373) 14.610 13.284 ( 0.963 5.117 2.149) 5.633 13.715 ( -5.209 -4.103 -3.568) 7.530 13.943 ( -12.407 -0.286 1.657) 12.520 15.387 ( -5.368 1.867 -16.159) 17.129 17.982 ( 17.838 -7.945 17.684) 26.344 18.567 ( -0.894 3.643 4.129) 5.578 19.307 ( -3.547 0.061 -2.972) 4.628 19.563 ( -5.168 4.389 -10.233) 12.275 23.655 ( 4.427 0.331 -2.583) 5.136 24.249 ( 1.250 1.100 1.922) 2.543 ======================= Grid point 187 (90/294) ======================= q-point: ( 0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -6.802 15.009 27.404) 31.977 1.982 ( -24.194 3.364 37.978) 45.155 3.327 ( -11.750 39.113 39.210) 56.616 5.050 ( 3.692 -9.611 -5.165) 11.519 5.417 ( 4.517 0.188 -6.773) 8.143 5.631 ( 1.051 -2.510 0.133) 2.725 6.275 ( 0.106 -1.684 -7.945) 8.122 6.739 ( 4.354 -2.107 9.505) 10.665 7.127 ( 9.962 -7.802 5.672) 13.866 7.731 ( 2.628 7.036 15.408) 17.142 7.916 ( -14.787 -1.555 3.887) 15.368 8.910 ( -0.161 -0.014 -3.878) 3.881 9.958 ( 9.271 -20.225 0.380) 22.251 10.394 ( 4.541 -24.419 10.987) 27.159 11.062 ( 4.072 -12.565 -4.311) 13.894 11.762 ( 1.798 8.328 4.657) 9.710 12.136 ( -1.944 -2.538 5.420) 6.293 12.410 ( 4.988 -0.001 -1.246) 5.142 12.616 ( -2.693 -3.261 0.865) 4.316 12.979 ( 7.970 2.044 -1.192) 8.314 13.291 ( 6.170 10.495 -2.611) 12.451 13.568 ( -2.471 3.969 -3.359) 5.757 13.828 ( -8.005 5.580 3.652) 10.419 14.696 ( -20.004 22.691 -19.587) 36.038 17.978 ( 11.892 2.429 -13.542) 18.186 18.582 ( 2.608 0.521 4.481) 5.211 19.225 ( 4.497 -6.225 2.307) 8.019 19.838 ( -10.308 -7.397 7.981) 14.989 23.639 ( 0.539 -0.123 -4.456) 4.490 24.354 ( 1.487 -4.109 1.922) 4.774 ======================= Grid point 188 (91/294) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -6.461 11.657 32.310) 34.951 2.120 ( 13.150 9.128 31.592) 35.416 3.806 ( -3.491 37.853 34.678) 51.454 4.982 ( 3.173 -8.728 -5.698) 10.896 5.345 ( -5.016 -2.900 -5.336) 7.877 5.637 ( 0.251 0.160 1.227) 1.262 6.226 ( 2.009 -3.078 -9.585) 10.266 6.866 ( 4.461 1.413 7.619) 8.942 7.195 ( 4.841 -12.271 2.987) 13.526 7.527 ( -23.295 -3.909 17.948) 29.666 8.079 ( 12.186 8.995 1.817) 15.255 8.879 ( 0.537 0.094 -4.536) 4.569 9.775 ( -3.224 -24.244 -3.395) 24.692 10.205 ( -0.987 -29.428 9.615) 30.975 11.066 ( 8.910 -8.347 -1.000) 12.249 11.756 ( -1.508 -7.246 -3.806) 8.323 12.081 ( -7.919 3.529 4.575) 9.803 12.459 ( -1.758 -4.298 3.978) 6.115 12.615 ( 1.948 1.968 3.670) 4.597 13.186 ( 10.166 6.510 -1.148) 12.127 13.390 ( -5.298 10.372 -5.566) 12.908 13.500 ( -5.020 5.230 0.569) 7.272 13.890 ( 2.912 8.045 4.027) 9.456 14.625 ( -1.817 22.618 -15.583) 27.526 18.175 ( 12.601 9.887 -14.490) 21.599 18.520 ( -9.907 6.453 -6.563) 13.522 19.309 ( 5.351 -14.118 12.102) 19.350 19.634 ( -5.326 -9.052 9.109) 13.903 23.598 ( -1.325 -1.573 -4.622) 5.059 24.336 ( 1.375 -6.016 0.695) 6.210 ======================= Grid point 189 (92/294) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 7.317 14.323 21.128) 26.554 2.677 ( 23.008 5.860 26.628) 35.676 4.247 ( -1.823 24.624 22.590) 33.466 4.953 ( 3.955 -3.988 -1.043) 5.712 5.211 ( -6.465 0.926 -2.852) 7.126 5.644 ( -1.361 1.960 -0.374) 2.415 6.122 ( -2.164 -9.791 -5.982) 11.676 6.928 ( -5.214 -7.068 8.238) 12.042 7.046 ( -7.257 -1.346 -1.055) 7.456 7.393 ( -2.777 -3.560 14.822) 15.495 8.323 ( 7.119 7.808 -6.216) 12.259 8.922 ( 7.372 -1.517 2.631) 7.973 9.443 ( -6.217 -20.732 -2.976) 21.848 10.027 ( 3.681 -21.921 7.695) 23.523 11.103 ( 4.420 -9.682 -0.952) 10.686 11.647 ( 4.889 -11.353 -3.993) 12.990 11.989 ( -12.236 6.669 1.230) 13.990 12.358 ( -7.636 -4.867 6.726) 11.280 12.680 ( 2.491 -0.170 1.082) 2.721 13.240 ( -10.951 7.447 -1.890) 13.377 13.385 ( -0.269 7.893 -4.684) 9.182 13.542 ( -1.220 6.850 4.012) 8.032 14.062 ( 5.937 10.434 2.200) 12.204 14.821 ( 11.135 16.242 -10.608) 22.368 18.223 ( -12.867 14.014 -11.648) 22.307 18.471 ( 4.160 -0.463 -0.769) 4.256 19.204 ( -5.811 -4.949 2.794) 8.128 19.693 ( 11.005 -10.933 10.471) 18.716 23.516 ( -2.343 -3.203 -4.569) 6.052 24.298 ( 1.423 -7.158 -0.312) 7.305 ======================= Grid point 190 (93/294) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( 16.293 14.691 9.649) 23.967 3.244 ( 23.847 2.522 20.853) 31.779 4.426 ( -2.451 3.104 5.549) 6.814 4.983 ( -1.447 -2.356 2.808) 3.941 5.169 ( -1.495 11.279 -0.710) 11.400 5.599 ( -2.655 -3.473 -3.145) 5.385 5.950 ( -7.014 -6.527 5.673) 11.135 6.721 ( -10.639 -7.496 2.809) 13.314 6.976 ( -4.144 -1.630 -0.712) 4.509 7.461 ( 1.143 1.447 12.392) 12.528 8.345 ( -2.897 4.092 -10.975) 12.066 8.937 ( 0.204 -18.168 -4.850) 18.805 9.407 ( 16.409 0.404 9.445) 18.937 10.005 ( 7.846 -12.494 3.368) 15.133 11.014 ( 0.420 -10.340 -3.938) 11.072 11.671 ( 8.784 -11.016 -0.293) 14.092 11.835 ( -13.113 6.855 1.393) 14.862 12.226 ( -7.403 -5.902 6.845) 11.683 12.717 ( 3.156 -1.836 -0.032) 3.651 13.108 ( -10.769 6.582 -3.449) 13.084 13.350 ( -9.412 9.585 -5.200) 14.405 13.575 ( -4.781 3.124 5.562) 7.972 14.311 ( 9.342 11.707 2.832) 15.243 15.097 ( 12.401 11.292 -6.621) 18.032 18.032 ( -15.568 8.463 -5.208) 18.469 18.469 ( -7.880 -0.752 10.494) 13.145 19.187 ( 6.758 3.462 -9.955) 12.521 19.812 ( 8.919 -10.821 7.504) 15.905 23.419 ( -1.990 -3.672 -4.372) 6.047 24.247 ( 1.310 -7.238 -1.653) 7.539 ======================= Grid point 191 (94/294) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.163 ( 18.997 13.065 0.425) 23.060 3.720 ( 20.062 -0.171 15.089) 25.104 4.310 ( -7.315 -8.310 -5.717) 12.460 4.920 ( -0.716 -3.849 -1.963) 4.380 5.276 ( -2.485 6.107 4.018) 7.721 5.507 ( -3.042 -0.941 3.557) 4.774 5.876 ( -3.840 0.059 9.108) 9.885 6.484 ( -9.224 -8.393 -3.803) 13.039 6.874 ( -6.219 -2.462 1.682) 6.897 7.578 ( -0.068 5.432 11.124) 12.379 8.248 ( -2.999 2.149 -10.407) 11.042 8.723 ( 0.075 -15.124 -7.300) 16.794 9.838 ( 22.191 1.307 11.926) 25.226 10.025 ( 5.759 -5.914 -7.829) 11.377 10.966 ( 7.526 -6.975 -1.537) 10.375 11.526 ( -15.609 1.326 -2.233) 15.823 11.869 ( 8.227 -5.653 7.240) 12.331 12.091 ( -5.866 -7.786 5.629) 11.257 12.750 ( 3.135 -2.143 0.038) 3.798 12.961 ( -12.797 7.537 -6.749) 16.313 13.252 ( -7.983 8.044 -2.555) 11.617 13.528 ( -6.738 0.415 6.564) 9.415 14.576 ( 6.781 11.372 3.483) 13.691 15.327 ( 9.155 7.389 -4.383) 12.554 17.834 ( -13.674 2.777 1.020) 13.990 18.388 ( -11.649 4.706 12.914) 18.017 19.301 ( 10.015 3.379 -12.419) 16.308 19.866 ( 5.852 -10.016 3.636) 12.157 23.344 ( -0.373 -2.505 -4.016) 4.748 24.190 ( 1.293 -6.283 -2.998) 7.081 ======================= Grid point 192 (95/294) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.508 ( 11.230 6.236 -5.551) 13.993 4.013 ( 1.146 -3.534 -3.067) 4.818 4.114 ( 8.722 -5.315 3.483) 10.792 4.850 ( -0.968 -6.120 -6.210) 8.773 5.200 ( -9.965 -4.497 11.997) 16.231 5.517 ( -3.498 4.384 3.563) 6.645 5.961 ( 5.310 3.890 6.794) 9.460 6.259 ( -5.437 -6.311 -3.802) 9.157 6.744 ( -7.521 -4.196 2.048) 8.853 7.670 ( -2.943 6.437 7.148) 10.059 8.199 ( 1.309 2.531 -7.088) 7.639 8.604 ( 3.021 -5.833 -6.623) 9.329 9.893 ( -1.621 -11.088 -9.080) 14.423 10.265 ( 17.157 3.626 -0.288) 17.539 11.074 ( 4.533 1.333 -1.157) 4.865 11.313 ( -4.750 -1.205 1.466) 5.115 11.898 ( -6.907 -2.092 3.613) 8.071 12.051 ( 9.781 -12.750 9.532) 18.684 12.725 ( -12.053 3.636 -8.262) 15.059 12.794 ( -2.910 3.657 0.047) 4.673 13.239 ( -0.930 3.125 1.777) 3.714 13.478 ( -4.010 0.709 7.289) 8.350 14.757 ( 0.581 9.691 2.860) 10.121 15.473 ( 5.407 3.844 -3.226) 7.377 17.662 ( -10.528 -1.682 5.518) 12.005 18.359 ( -9.855 10.222 12.634) 19.006 19.391 ( 8.062 -1.112 -11.065) 13.736 19.868 ( 3.669 -7.641 0.034) 8.476 23.319 ( 1.813 -0.370 -3.479) 3.941 24.142 ( 1.695 -4.430 -3.861) 6.116 ======================= Grid point 193 (96/294) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.453 ( -11.324 -4.784 -7.295) 14.295 3.997 ( 8.850 -3.275 -5.604) 10.975 4.297 ( 3.721 2.580 -0.876) 4.612 4.682 ( -3.687 -9.580 -1.649) 10.397 5.106 ( -6.414 -1.662 10.278) 12.228 5.528 ( -0.983 3.311 4.228) 5.459 6.041 ( -2.573 0.785 -1.049) 2.887 6.244 ( 6.736 -1.823 5.281) 8.751 6.596 ( -4.452 -5.728 0.277) 7.260 7.679 ( -4.601 4.683 0.217) 6.569 8.260 ( 3.316 6.685 0.353) 7.471 8.625 ( 4.909 3.259 -6.705) 8.926 9.659 ( -3.696 -13.394 -13.427) 19.322 10.389 ( -5.366 1.606 -1.130) 5.714 11.080 ( 1.704 5.051 -5.722) 7.821 11.414 ( 10.577 -2.440 0.707) 10.878 11.795 ( -4.798 -0.788 4.216) 6.435 12.155 ( 9.881 -14.264 7.779) 19.016 12.504 ( -12.197 7.390 -6.065) 15.497 12.823 ( 0.348 1.868 4.256) 4.661 13.253 ( -0.105 -2.248 3.101) 3.831 13.528 ( 2.406 2.908 7.078) 8.022 14.796 ( -6.656 6.380 1.160) 9.293 15.542 ( 2.417 1.659 -2.826) 4.072 17.540 ( -5.829 -4.575 8.391) 11.194 18.410 ( -7.122 13.318 12.873) 19.845 19.399 ( 5.601 -7.116 -9.952) 13.456 19.851 ( 1.676 -3.489 -2.758) 4.753 23.350 ( 3.665 1.378 -2.940) 4.896 24.121 ( 2.424 -1.921 -3.918) 4.991 ======================= Grid point 194 (97/294) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( -19.202 -2.763 -3.394) 19.694 3.908 ( -18.052 -4.226 -6.561) 19.667 4.305 ( 8.870 -0.868 -2.649) 9.298 4.659 ( 0.805 -5.276 5.826) 7.901 5.058 ( -2.873 1.297 2.897) 4.281 5.613 ( 3.533 2.600 5.763) 7.243 5.980 ( -3.307 -1.594 -1.884) 4.127 6.303 ( -0.992 -3.950 6.596) 7.752 6.569 ( 7.204 -4.139 -0.870) 8.354 7.630 ( -5.258 4.725 -3.994) 8.120 8.405 ( -0.508 10.227 8.551) 13.340 8.713 ( 7.955 5.726 -11.355) 15.000 9.407 ( -2.854 -11.594 -11.163) 16.345 10.214 ( -14.439 3.595 -1.228) 14.930 11.114 ( 0.883 -0.120 -3.757) 3.862 11.556 ( 9.116 5.086 -6.624) 12.363 11.790 ( 0.947 -1.606 4.435) 4.811 12.122 ( 1.129 -13.101 -2.068) 13.311 12.483 ( 2.389 2.794 4.756) 6.011 12.894 ( 1.512 2.472 7.875) 8.392 13.244 ( 0.460 -3.184 2.397) 4.012 13.654 ( 4.499 1.899 5.492) 7.349 14.678 ( -12.581 1.877 -0.512) 12.731 15.554 ( -0.257 1.582 -3.612) 3.951 17.499 ( 0.294 -6.551 10.789) 12.626 18.519 ( -4.324 12.652 12.199) 18.099 19.335 ( 3.842 -9.405 -8.670) 13.356 19.819 ( -1.012 -0.058 -4.964) 5.066 23.418 ( 4.697 1.792 -2.692) 5.702 24.138 ( 2.965 0.647 -3.021) 4.282 ======================= Grid point 195 (98/294) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( -23.956 5.481 4.771) 25.034 3.409 ( -31.956 -1.254 -7.232) 32.788 4.419 ( -9.537 -8.055 3.175) 12.881 4.565 ( 4.270 -1.901 6.349) 7.884 5.146 ( 6.334 7.271 0.593) 9.661 5.692 ( 1.657 -6.420 3.125) 7.330 5.893 ( -0.440 -2.091 -3.237) 3.879 6.304 ( 1.333 -2.242 5.654) 6.226 6.688 ( 9.436 -1.541 3.683) 10.246 7.541 ( -7.132 4.085 -7.185) 10.917 8.471 ( -6.122 3.212 10.710) 12.747 8.895 ( 14.157 7.939 -9.577) 18.846 9.230 ( -3.524 -3.292 -7.745) 9.124 10.049 ( -10.517 7.599 -1.032) 13.016 11.093 ( 0.234 -0.009 -1.001) 1.028 11.700 ( 6.403 3.795 -7.248) 10.389 11.823 ( 1.807 -1.345 3.888) 4.494 12.022 ( 4.644 -10.626 -4.250) 12.351 12.585 ( 3.938 0.452 4.396) 5.919 13.001 ( 2.839 -0.207 9.523) 9.939 13.245 ( 1.468 -1.510 1.149) 2.399 13.744 ( 2.572 -1.083 1.666) 3.250 14.440 ( -15.881 -1.518 -0.547) 15.963 15.521 ( -2.971 3.012 -6.025) 7.363 17.563 ( 7.184 -8.083 13.200) 17.064 18.609 ( -1.801 2.471 4.944) 5.813 19.289 ( 2.365 -1.085 -1.614) 3.062 19.752 ( -4.079 2.254 -7.352) 8.705 23.495 ( 5.028 1.077 -2.853) 5.881 24.187 ( 2.806 2.231 -1.226) 3.788 ======================= Grid point 196 (99/294) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( -27.119 15.290 13.105) 33.778 2.820 ( -37.521 4.459 -3.642) 37.960 3.954 ( -34.439 -10.942 11.709) 37.985 4.792 ( 12.962 2.189 4.030) 13.749 5.310 ( 3.368 6.192 -2.791) 7.581 5.574 ( -1.411 -10.602 -1.697) 10.829 5.965 ( 11.843 -4.631 4.491) 13.486 6.364 ( 3.519 -0.818 4.328) 5.638 6.884 ( 9.548 1.854 8.351) 12.820 7.388 ( -8.786 1.645 -8.711) 12.481 8.430 ( -4.290 -4.799 7.773) 10.092 9.082 ( -3.800 3.850 0.186) 5.413 9.206 ( 9.471 10.394 -5.037) 14.937 10.025 ( -0.789 8.840 -1.329) 8.975 11.136 ( 4.050 1.521 0.758) 4.392 11.681 ( -1.696 -7.252 -3.010) 8.033 11.897 ( 5.482 0.690 2.572) 6.094 12.052 ( 8.519 -2.515 -4.710) 10.054 12.679 ( 3.456 3.511 2.792) 5.663 13.049 ( 0.464 -6.055 5.559) 8.233 13.289 ( 2.731 0.642 2.013) 3.453 13.699 ( -2.694 -7.567 -5.748) 9.877 14.182 ( -14.490 0.599 2.911) 14.791 15.439 ( -6.071 5.349 -10.301) 13.099 17.737 ( 13.783 -9.423 15.259) 22.618 18.518 ( -1.521 -13.684 -7.902) 15.875 19.410 ( 1.466 12.933 9.918) 16.364 19.646 ( -6.090 4.658 -9.544) 12.242 23.562 ( 4.859 0.110 -3.265) 5.855 24.247 ( 2.054 2.036 1.143) 3.110 ======================= Grid point 199 (100/294) ======================= q-point: ( 0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( -20.803 15.935 12.773) 29.152 2.644 ( -27.398 2.411 31.418) 41.756 4.028 ( -9.294 29.672 27.254) 41.347 4.888 ( 2.259 -8.952 -2.481) 9.560 5.304 ( 5.987 1.761 -5.214) 8.133 5.605 ( 0.123 -2.405 2.780) 3.678 6.151 ( 6.751 -6.162 -6.254) 11.075 6.633 ( 9.247 -6.994 11.024) 15.999 6.962 ( 4.384 -4.388 -2.497) 6.687 7.721 ( 10.288 8.069 7.226) 14.939 8.200 ( -11.219 -0.952 4.473) 12.116 9.062 ( -15.095 6.868 4.506) 17.185 9.647 ( 8.707 -13.369 -1.260) 16.004 10.213 ( 0.916 -17.572 6.470) 18.747 10.835 ( 3.380 -12.961 -7.151) 15.184 11.805 ( 0.227 0.200 2.937) 2.953 12.208 ( 2.108 6.962 6.515) 9.765 12.324 ( 4.579 -0.682 -2.143) 5.102 12.587 ( 1.771 -5.478 1.392) 5.923 12.861 ( 4.959 -1.353 -1.509) 5.357 13.255 ( 6.603 7.996 -2.044) 10.570 13.591 ( 3.732 5.842 0.278) 6.938 14.066 ( -11.095 6.952 0.988) 13.130 15.061 ( -16.933 13.247 -13.920) 25.612 17.767 ( 7.765 1.828 -8.501) 11.658 18.413 ( 18.234 -8.852 17.333) 26.669 19.272 ( -10.167 5.685 -11.299) 16.228 19.952 ( -6.512 -6.434 6.317) 11.122 23.590 ( 2.087 -0.308 -4.251) 4.746 24.290 ( 0.967 -5.783 -0.266) 5.870 ======================= Grid point 200 (101/294) ======================= q-point: ( 0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -2.488 12.263 22.133) 25.425 2.499 ( -18.656 5.764 32.233) 37.686 4.364 ( -3.977 27.707 22.935) 36.187 4.829 ( 2.933 -7.209 -2.726) 8.246 5.325 ( 0.565 -0.848 -5.851) 5.939 5.630 ( 2.211 -0.802 4.857) 5.396 6.114 ( 0.916 -4.128 -9.067) 10.005 6.798 ( 10.682 -7.053 9.636) 16.022 6.983 ( 5.438 -6.866 -1.979) 8.980 7.918 ( -7.384 1.085 -1.870) 7.694 8.045 ( -3.026 6.025 14.151) 15.675 8.927 ( -8.548 2.917 0.559) 9.049 9.561 ( 1.245 -18.709 -3.559) 19.085 10.018 ( -2.448 -25.902 6.698) 26.866 10.819 ( 9.572 -8.613 -2.329) 13.085 11.675 ( -4.687 -12.611 -4.855) 14.303 12.253 ( -3.801 3.711 2.398) 5.828 12.421 ( 2.543 -2.594 4.564) 5.834 12.655 ( 3.291 3.372 7.048) 8.478 13.021 ( 12.075 4.852 -2.308) 13.217 13.412 ( 7.037 8.217 -4.604) 11.757 13.688 ( -3.622 9.485 -0.384) 10.161 13.999 ( -5.330 8.101 4.143) 10.545 14.869 ( -13.058 16.950 -11.937) 24.501 17.951 ( 13.993 9.617 -9.644) 19.527 18.650 ( 3.753 -0.586 6.493) 7.522 19.148 ( 0.771 -3.218 -0.553) 3.355 19.762 ( -11.117 -9.592 7.035) 16.281 23.568 ( -0.276 -1.872 -4.650) 5.020 24.238 ( 1.617 -8.409 -1.701) 8.731 ======================= Grid point 201 (102/294) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( -4.838 6.894 25.465) 26.822 2.609 ( 9.852 7.883 24.741) 27.772 4.529 ( -3.875 2.633 2.423) 5.275 4.909 ( 3.954 6.836 8.308) 11.463 5.292 ( -1.907 2.901 -0.144) 3.474 5.680 ( -0.839 3.489 -0.704) 3.656 6.017 ( 0.238 -6.827 -4.965) 8.445 6.890 ( 4.135 -10.477 -2.044) 11.447 7.001 ( 4.380 -4.052 4.844) 7.686 7.681 ( -17.483 0.645 11.608) 20.996 8.238 ( 7.215 8.261 -2.477) 11.244 8.855 ( -1.496 -3.843 2.214) 4.681 9.343 ( -4.081 -14.658 -2.569) 15.431 9.808 ( 1.795 -23.580 7.029) 24.671 10.901 ( 9.319 -8.917 0.545) 12.910 11.445 ( -1.298 -14.967 -7.036) 16.589 12.211 ( -6.783 2.881 1.436) 7.508 12.405 ( -1.766 -5.459 4.520) 7.304 12.728 ( -2.534 2.926 3.074) 4.943 13.262 ( 11.061 4.010 0.158) 11.766 13.516 ( -5.557 12.069 -6.852) 14.950 13.681 ( -3.295 8.479 3.922) 9.906 14.100 ( 2.675 9.364 3.413) 10.320 14.851 ( -1.527 18.130 -8.416) 20.046 18.234 ( 14.333 11.848 -9.517) 20.890 18.576 ( -13.376 7.779 -5.999) 16.596 19.208 ( 5.277 -11.510 10.534) 16.471 19.578 ( -3.762 -7.815 7.724) 11.614 23.494 ( -2.033 -3.567 -4.642) 6.197 24.172 ( 2.623 -10.158 -2.313) 10.743 ======================= Grid point 202 (103/294) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( 5.352 8.310 17.050) 19.708 3.038 ( 18.630 1.945 21.135) 28.241 4.435 ( -2.007 -8.341 -4.767) 9.814 4.991 ( -1.535 -1.491 -0.110) 2.143 5.332 ( -1.482 6.239 3.522) 7.316 5.638 ( -5.965 7.121 -4.290) 10.232 5.989 ( 0.511 -3.280 6.464) 7.266 6.744 ( -4.213 -10.782 -7.398) 13.738 7.037 ( -2.133 -2.778 6.311) 7.218 7.593 ( -5.568 4.164 13.720) 15.381 8.343 ( 1.358 7.232 -12.133) 14.190 8.767 ( -1.227 -16.115 1.314) 16.215 9.258 ( 5.896 -2.867 7.204) 9.741 9.755 ( 9.106 -15.230 4.460) 18.296 10.884 ( 0.621 -11.040 -3.574) 11.621 11.355 ( 10.944 -13.824 -1.293) 17.679 12.111 ( -9.618 3.215 0.339) 10.147 12.323 ( -6.244 -4.525 4.756) 9.060 12.708 ( -2.234 0.852 0.709) 2.494 13.315 ( -7.500 5.806 -5.713) 11.072 13.500 ( -4.369 7.953 0.275) 9.078 13.738 ( -4.509 7.046 4.042) 9.290 14.288 ( 8.006 10.974 1.068) 13.626 15.028 ( 7.022 15.316 -4.135) 17.350 18.334 ( -14.354 8.057 -6.859) 17.833 18.517 ( 6.296 8.366 -1.463) 10.572 19.160 ( -3.627 -3.811 3.257) 6.188 19.608 ( 8.291 -9.944 7.681) 15.054 23.393 ( -2.297 -4.045 -4.177) 6.252 24.109 ( 3.395 -10.576 -2.611) 11.410 ======================= Grid point 203 (104/294) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( 12.784 9.454 7.275) 17.485 3.468 ( 20.508 -3.324 17.649) 27.260 4.249 ( -3.657 -13.227 -9.425) 16.648 4.892 ( -3.292 -3.514 -5.186) 7.077 5.347 ( -1.033 -2.305 2.567) 3.601 5.652 ( -4.567 14.393 2.828) 15.363 5.980 ( -3.859 -3.173 7.369) 8.903 6.508 ( -7.591 -8.826 -6.976) 13.572 6.969 ( -6.277 -2.575 3.934) 7.842 7.687 ( 0.465 5.082 11.112) 12.227 8.296 ( -4.602 6.009 -10.069) 12.597 8.585 ( -2.325 -12.540 -0.269) 12.757 9.536 ( 21.174 -0.881 8.997) 23.023 9.805 ( 8.202 -10.145 -2.674) 13.317 10.773 ( 3.799 -8.794 -4.088) 10.415 11.455 ( 13.228 -13.048 3.605) 18.927 11.972 ( -12.060 5.410 -0.306) 13.222 12.184 ( -8.637 -4.976 4.853) 11.087 12.699 ( 0.734 -0.759 0.253) 1.086 13.190 ( -10.563 7.084 -4.624) 13.533 13.448 ( -8.987 7.177 -3.447) 12.006 13.700 ( -8.406 2.241 5.289) 10.181 14.559 ( 10.473 10.865 1.938) 15.215 15.257 ( 7.448 10.693 -1.971) 13.179 18.110 ( -16.035 4.125 -1.781) 16.652 18.633 ( -3.261 6.525 7.364) 10.365 19.147 ( 3.929 2.581 -6.525) 8.043 19.678 ( 7.570 -10.709 3.901) 13.682 23.309 ( -1.064 -2.725 -3.431) 4.508 24.056 ( 3.698 -9.376 -2.880) 10.483 ======================= Grid point 204 (105/294) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.358 ( 13.024 7.885 -0.059) 15.225 3.841 ( 18.554 -5.096 13.429) 23.464 3.983 ( -4.770 -12.831 -10.314) 17.140 4.790 ( -2.100 -2.506 -6.616) 7.380 5.305 ( -3.026 -4.357 5.659) 7.757 5.710 ( -8.265 10.731 1.941) 13.684 5.952 ( 2.523 -2.374 6.803) 7.634 6.274 ( -7.547 -6.238 -5.295) 11.131 6.839 ( -8.032 -4.431 1.716) 9.333 7.772 ( -0.734 2.265 3.015) 3.842 8.250 ( -3.937 9.014 -1.528) 9.954 8.514 ( 2.022 -2.362 2.693) 4.114 9.724 ( 1.184 -13.601 -10.919) 17.482 9.952 ( 23.147 1.355 2.709) 23.345 10.854 ( 13.798 -3.264 0.341) 14.183 11.486 ( -2.902 -6.122 1.559) 6.952 11.871 ( -1.612 -1.642 3.524) 4.209 12.030 ( -7.937 -4.063 3.834) 9.706 12.713 ( 1.939 -1.741 -0.134) 2.609 13.041 ( -13.477 7.675 -4.397) 16.120 13.356 ( -6.932 7.049 -3.194) 10.390 13.603 ( -7.241 -1.302 6.225) 9.637 14.807 ( 6.391 8.620 2.331) 10.981 15.423 ( 4.703 5.966 -1.271) 7.703 17.884 ( -14.519 0.502 1.848) 14.645 18.662 ( -7.248 8.486 10.369) 15.233 19.203 ( 5.851 -0.761 -8.558) 10.395 19.711 ( 6.502 -7.918 -0.114) 10.246 23.275 ( 0.919 -0.314 -2.605) 2.781 24.023 ( 3.833 -6.643 -3.017) 8.241 ======================= Grid point 205 (106/294) ======================= q-point: (-0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.536 ( -1.095 3.372 -1.290) 3.773 3.771 ( 4.182 -8.118 -8.486) 12.466 4.172 ( 16.236 -2.133 8.814) 18.597 4.664 ( -5.779 -2.596 -8.486) 10.590 5.241 ( -5.467 -4.043 8.455) 10.850 5.650 ( -6.510 6.670 1.186) 9.396 6.065 ( 1.146 -2.104 -3.136) 3.947 6.123 ( 3.394 -3.292 4.217) 6.336 6.650 ( -8.882 -7.354 0.297) 11.535 7.756 ( -2.279 2.075 -3.063) 4.345 8.319 ( 0.166 11.485 1.175) 11.546 8.625 ( 2.967 6.977 8.292) 11.235 9.489 ( -2.532 -14.964 -13.976) 20.632 10.299 ( 15.798 2.267 -2.247) 16.118 11.076 ( 11.360 1.588 -1.866) 11.621 11.321 ( -8.850 -1.271 1.000) 8.997 11.861 ( -0.792 -10.750 5.051) 11.904 11.952 ( 2.143 -2.767 3.684) 5.081 12.687 ( -5.107 1.392 -4.891) 7.207 12.898 ( -7.236 5.092 1.842) 9.037 13.307 ( -4.942 3.822 -0.776) 6.295 13.558 ( -0.445 -1.362 5.644) 5.823 14.925 ( -1.323 4.538 1.243) 4.888 15.513 ( 2.519 3.002 -0.857) 4.011 17.683 ( -11.119 -2.485 4.231) 12.153 18.694 ( -6.091 8.196 9.062) 13.653 19.201 ( 4.019 -5.556 -6.509) 9.455 19.749 ( 5.224 -2.887 -2.424) 6.442 23.298 ( 2.596 1.653 -1.955) 3.646 24.024 ( 4.127 -2.917 -2.843) 5.799 ======================= Grid point 206 (107/294) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.401 ( -14.221 5.287 0.755) 15.191 3.853 ( 11.455 -4.994 -3.458) 12.966 4.333 ( -6.990 2.085 0.012) 7.294 4.544 ( 7.032 -3.695 -1.944) 8.178 5.157 ( -6.128 -1.382 4.527) 7.743 5.664 ( -1.817 5.071 3.355) 6.346 5.963 ( -0.886 -5.645 -5.576) 7.984 6.262 ( 6.602 -3.458 5.663) 9.361 6.467 ( -2.814 -6.670 0.471) 7.254 7.724 ( -3.591 5.128 -4.206) 7.542 8.480 ( 5.647 12.777 -0.592) 13.982 8.734 ( -3.965 3.190 5.049) 7.169 9.276 ( -0.356 -7.069 -6.898) 9.883 10.419 ( -3.057 4.632 -3.231) 6.422 11.108 ( -3.399 3.905 -2.901) 5.934 11.368 ( 12.439 -1.793 -2.391) 12.792 11.773 ( -0.841 -8.230 3.919) 9.154 11.975 ( 2.483 -7.661 1.045) 8.121 12.573 ( -6.175 4.896 -2.937) 8.410 12.923 ( 1.447 1.357 6.119) 6.433 13.254 ( -3.329 -0.189 1.077) 3.505 13.614 ( 4.221 -0.808 2.495) 4.969 14.860 ( -8.898 -0.624 -0.071) 8.920 15.560 ( 0.684 2.833 -0.996) 3.080 17.542 ( -5.744 -4.865 6.436) 9.903 18.691 ( -3.325 -2.373 2.552) 4.817 19.203 ( 2.625 1.780 -0.101) 3.173 19.782 ( 2.320 0.025 -3.490) 4.191 23.355 ( 3.411 2.158 -1.816) 4.426 24.068 ( 4.439 0.705 -2.163) 4.988 ======================= Grid point 207 (108/294) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.254 ( -17.748 13.629 7.507) 23.603 3.791 ( -16.627 1.457 -6.570) 17.937 4.286 ( 7.174 -3.454 4.102) 8.957 4.622 ( 0.639 -3.010 1.912) 3.623 5.127 ( 1.855 3.678 0.356) 4.134 5.655 ( -2.835 -5.867 1.141) 6.615 5.862 ( -1.991 -3.050 -5.134) 6.295 6.295 ( 1.500 -3.900 5.097) 6.591 6.529 ( 10.357 -1.772 4.743) 11.528 7.654 ( -7.231 3.914 -6.365) 10.398 8.614 ( -6.432 -7.054 1.471) 9.659 8.731 ( 11.364 12.860 -5.008) 17.878 9.265 ( -2.540 6.753 3.609) 8.067 10.331 ( -11.837 9.543 -0.822) 15.227 11.084 ( -0.939 0.714 -1.207) 1.687 11.533 ( 11.317 -1.833 -6.313) 13.088 11.752 ( 4.463 -6.954 4.865) 9.589 11.902 ( -1.529 -3.980 -4.260) 6.027 12.575 ( 1.285 2.363 2.836) 3.908 13.001 ( 2.338 -0.375 5.076) 5.601 13.225 ( -0.197 -1.153 1.965) 2.287 13.665 ( 3.753 -4.227 -2.500) 6.181 14.656 ( -13.181 -3.181 0.666) 13.576 15.571 ( -1.972 3.921 -2.649) 5.126 17.495 ( 0.983 -6.726 8.962) 11.248 18.561 ( -1.440 -14.617 -5.251) 15.599 19.337 ( 2.402 12.524 7.350) 14.719 19.775 ( -1.165 1.562 -4.868) 5.243 23.418 ( 3.678 1.502 -2.280) 4.580 24.147 ( 4.181 2.794 -0.938) 5.116 ======================= Grid point 208 (109/294) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.162 ( -21.686 19.891 11.661) 31.653 3.407 ( -29.440 8.398 -2.619) 30.726 4.276 ( -9.572 -10.875 3.469) 14.897 4.671 ( 7.460 3.471 7.330) 11.020 5.289 ( 9.530 6.437 -0.269) 11.504 5.468 ( -5.405 -14.145 -2.977) 15.433 5.811 ( 1.748 -2.367 -2.799) 4.061 6.349 ( 3.187 -1.172 6.384) 7.231 6.749 ( 12.836 -0.407 7.009) 14.631 7.487 ( -9.142 -0.596 -7.612) 11.911 8.469 ( -4.049 -6.611 1.476) 7.892 9.013 ( 12.637 10.018 -4.957) 16.871 9.324 ( -5.035 12.020 7.912) 15.245 10.234 ( -11.527 11.088 -0.187) 15.995 11.093 ( 1.782 0.982 0.222) 2.047 11.560 ( 3.977 -11.105 -4.295) 12.553 11.821 ( 5.051 -2.701 3.315) 6.618 11.914 ( 6.622 5.337 -3.874) 9.346 12.662 ( 4.141 1.521 4.698) 6.445 13.023 ( -0.065 -2.980 1.003) 3.145 13.253 ( 2.371 -1.597 2.924) 4.089 13.591 ( -0.244 -10.899 -8.849) 14.041 14.431 ( -13.140 -0.327 3.598) 13.627 15.535 ( -4.884 5.510 -5.723) 9.326 17.559 ( 8.013 -8.192 11.255) 16.062 18.333 ( -1.798 -18.572 -8.470) 20.492 19.571 ( 3.157 15.061 9.787) 18.237 19.717 ( -4.167 3.312 -6.514) 8.412 23.473 ( 3.908 0.583 -2.956) 4.935 24.232 ( 3.096 2.578 0.493) 4.059 ======================= Grid point 211 (110/294) ======================= q-point: ( 0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( -25.508 13.396 1.866) 28.872 3.254 ( -24.336 2.000 23.834) 34.122 4.480 ( -2.611 18.711 16.271) 24.934 4.787 ( -0.420 -8.868 0.648) 8.901 5.186 ( 6.408 0.762 -5.368) 8.393 5.605 ( 0.336 -5.467 6.459) 8.469 5.909 ( 11.134 -1.714 -3.141) 11.695 6.506 ( 4.271 -7.996 5.441) 10.572 6.831 ( 5.362 -5.030 -2.619) 7.805 7.678 ( 9.190 8.740 5.608) 13.867 8.314 ( -3.402 1.385 -1.194) 3.862 9.294 ( 3.283 -4.487 -6.252) 8.367 9.623 ( -19.280 5.157 11.678) 23.123 10.090 ( -0.595 -15.121 2.074) 15.275 10.678 ( -2.464 -7.708 -7.063) 10.741 11.805 ( -0.215 -4.562 4.167) 6.183 12.136 ( 10.303 1.709 -6.973) 12.558 12.258 ( 6.304 -2.830 1.961) 7.183 12.536 ( 1.568 1.107 6.462) 6.741 12.798 ( 1.157 0.139 -0.637) 1.328 13.211 ( 4.300 3.476 -0.792) 5.586 13.570 ( 6.921 5.953 3.959) 9.951 14.298 ( -9.026 7.060 -1.166) 11.518 15.325 ( -11.925 8.734 -9.108) 17.362 17.670 ( 3.859 4.378 -2.194) 6.235 18.125 ( 18.229 -9.699 16.566) 26.473 19.433 ( -10.206 6.745 -11.852) 17.033 20.004 ( -3.513 -6.528 4.179) 8.510 23.519 ( 2.947 -0.355 -4.183) 5.129 24.223 ( -0.634 -6.025 -2.284) 6.474 ======================= Grid point 212 (111/294) ======================= q-point: ( 0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( -13.433 11.941 11.538) 21.358 3.056 ( -21.937 2.932 27.208) 35.073 4.617 ( -1.783 -4.261 0.619) 4.661 4.796 ( 2.126 9.987 10.527) 14.666 5.250 ( 4.681 1.388 -6.454) 8.092 5.615 ( 2.182 -3.781 8.189) 9.280 6.000 ( 4.351 -0.985 -6.418) 7.816 6.552 ( 9.670 -10.706 2.842) 14.704 6.879 ( 4.835 -2.971 2.456) 6.184 7.888 ( 5.378 6.346 -4.428) 9.424 8.273 ( -5.083 3.111 6.975) 9.174 9.176 ( -10.524 -2.580 -2.060) 11.030 9.429 ( -9.166 -5.948 4.586) 11.850 9.877 ( -4.162 -22.792 2.544) 23.308 10.623 ( 4.588 -3.660 -1.547) 6.069 11.618 ( -7.026 -15.165 -2.991) 16.979 12.248 ( 6.123 -0.105 -2.729) 6.705 12.384 ( 4.340 -3.180 4.850) 7.244 12.655 ( 4.820 2.841 6.869) 8.859 12.913 ( 7.387 9.896 -1.053) 12.394 13.317 ( 7.937 4.517 -3.870) 9.918 13.756 ( 4.223 6.079 4.111) 8.467 14.230 ( -8.690 11.075 -0.101) 14.078 15.158 ( -13.050 11.340 -8.190) 19.130 17.827 ( 8.369 12.066 -4.577) 15.381 18.454 ( 19.251 -9.356 18.032) 27.988 19.246 ( -11.272 6.421 -11.666) 17.446 19.859 ( -7.530 -10.030 5.044) 13.518 23.514 ( 1.069 -2.190 -4.997) 5.560 24.128 ( -0.285 -8.663 -3.211) 9.243 ======================= Grid point 213 (112/294) ======================= q-point: ( 0.33 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( -1.778 7.584 16.123) 17.906 2.942 ( -15.039 3.023 27.059) 31.105 4.484 ( -1.056 -12.164 -5.751) 13.496 4.980 ( 2.360 5.059 5.308) 7.703 5.300 ( 2.839 1.782 -2.800) 4.367 5.709 ( 4.354 1.722 6.618) 8.107 5.975 ( -1.936 2.435 -4.494) 5.465 6.627 ( 10.284 -11.106 -2.370) 15.321 6.956 ( 4.122 -1.368 5.838) 7.276 7.893 ( -3.329 1.956 -5.739) 6.917 8.303 ( -4.315 6.548 7.959) 11.173 8.940 ( -11.968 -5.949 1.222) 13.421 9.288 ( -2.946 -5.587 1.342) 6.457 9.627 ( -1.632 -22.567 4.139) 23.002 10.692 ( 7.447 -5.034 2.052) 9.220 11.331 ( -6.535 -16.078 -5.107) 18.091 12.276 ( -0.751 -1.901 -0.267) 2.061 12.400 ( 0.442 -3.814 3.852) 5.439 12.772 ( 2.650 0.579 1.929) 3.328 13.139 ( 9.366 8.763 0.272) 12.829 13.525 ( 10.623 10.285 -5.563) 15.798 13.829 ( -2.501 3.832 2.000) 4.994 14.239 ( -5.364 12.178 3.725) 13.819 15.053 ( -8.425 14.497 -6.202) 17.878 18.087 ( 11.885 14.450 -6.755) 19.892 18.715 ( 5.853 -2.300 9.183) 11.130 19.094 ( -2.789 -0.214 -2.994) 4.098 19.666 ( -8.529 -9.064 6.207) 13.908 23.454 ( -0.870 -4.039 -5.149) 6.601 24.024 ( 0.997 -10.306 -3.168) 10.828 ======================= Grid point 214 (113/294) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( 1.012 0.504 17.714) 17.750 3.001 ( 1.684 3.527 20.969) 21.330 4.305 ( -0.619 -14.419 -8.222) 16.610 5.013 ( -2.217 0.134 -1.534) 2.700 5.310 ( 2.681 -4.435 -2.717) 5.851 5.803 ( -0.798 3.264 4.375) 5.516 6.014 ( -0.038 10.481 1.412) 10.575 6.609 ( 2.696 -9.951 -5.300) 11.593 7.042 ( 2.774 -1.371 5.187) 6.040 7.826 ( -7.128 3.874 5.898) 10.030 8.323 ( -0.496 6.692 -6.890) 9.618 8.709 ( -6.897 -12.623 2.583) 14.614 9.253 ( -1.677 -2.478 8.544) 9.053 9.507 ( 6.836 -14.365 3.125) 16.212 10.740 ( 3.423 -9.360 0.228) 9.969 11.104 ( 1.809 -13.773 -2.659) 14.144 12.210 ( -3.770 -3.315 1.016) 5.122 12.384 ( -1.875 -1.481 1.751) 2.962 12.775 ( -2.857 0.660 0.381) 2.957 13.331 ( 5.118 4.938 -3.611) 7.976 13.671 ( -2.630 10.456 -3.899) 11.465 13.859 ( 0.300 5.181 4.217) 6.687 14.304 ( -0.008 9.088 1.126) 9.158 15.100 ( -0.052 15.221 -2.665) 15.453 18.357 ( 9.809 11.134 -7.602) 16.672 18.678 ( -10.986 9.188 -2.744) 14.582 19.126 ( 5.337 -8.861 6.879) 12.422 19.530 ( -3.038 -6.778 6.936) 10.163 23.362 ( -1.628 -4.486 -4.210) 6.364 23.937 ( 2.650 -10.690 -2.500) 11.294 ======================= Grid point 215 (114/294) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( 6.554 2.040 12.904) 14.616 3.250 ( 13.460 -3.529 16.362) 21.479 4.096 ( -1.544 -14.382 -10.156) 17.674 4.917 ( -5.746 -0.485 -4.222) 7.147 5.311 ( 2.829 -4.243 1.448) 5.301 5.834 ( -1.156 2.313 4.675) 5.343 6.070 ( -5.177 8.176 -2.923) 10.109 6.495 ( -3.773 -6.477 -2.452) 7.886 7.045 ( -3.032 -2.556 2.155) 4.514 7.819 ( -4.500 4.934 7.236) 9.847 8.340 ( 0.741 7.254 -8.745) 11.386 8.543 ( -2.669 -8.900 2.955) 9.751 9.310 ( 8.518 -7.787 12.242) 16.824 9.573 ( 8.655 -5.206 -1.137) 10.164 10.636 ( 0.164 -9.028 -3.905) 9.838 11.131 ( 12.909 -12.361 4.121) 18.342 12.121 ( -4.894 -1.409 0.394) 5.108 12.320 ( -6.610 -0.292 1.330) 6.749 12.726 ( -3.567 0.614 0.292) 3.632 13.335 ( -4.295 4.543 -6.702) 9.165 13.644 ( -8.288 7.725 -2.387) 11.579 13.886 ( -7.042 2.531 5.899) 9.529 14.470 ( 10.677 8.562 -1.807) 13.805 15.262 ( 4.235 11.414 -0.107) 12.174 18.364 ( -11.351 4.342 -5.728) 13.435 18.715 ( 2.884 11.189 0.769) 11.580 19.123 ( 0.236 -3.529 0.993) 3.674 19.512 ( 3.374 -8.160 5.135) 10.215 23.283 ( -1.001 -2.926 -2.612) 4.048 23.884 ( 4.054 -9.418 -1.624) 10.381 ======================= Grid point 216 (115/294) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.234 ( 11.126 4.160 4.077) 12.559 3.544 ( 18.883 -9.447 14.771) 25.768 3.883 ( -3.386 -9.446 -9.068) 13.525 4.804 ( -4.917 0.524 -4.120) 6.437 5.319 ( 0.207 -2.802 3.211) 4.267 5.864 ( 1.330 -3.678 3.344) 5.146 5.994 ( -8.203 8.583 -4.303) 12.628 6.335 ( -8.600 -4.843 -0.361) 9.876 6.934 ( -7.437 -3.545 -0.546) 8.256 7.815 ( -2.811 1.820 -0.486) 3.384 8.406 ( -1.257 10.606 0.733) 10.706 8.509 ( 1.829 0.192 7.010) 7.247 9.452 ( 9.911 -13.831 -4.829) 17.688 9.667 ( 12.397 -1.661 3.901) 13.102 10.643 ( 9.300 -1.200 -0.990) 9.430 11.262 ( 13.469 -14.024 5.646) 20.248 12.026 ( -7.334 1.976 -1.453) 7.733 12.179 ( -11.181 0.089 1.751) 11.318 12.691 ( -0.938 -0.611 0.552) 1.248 13.249 ( -7.328 5.319 -4.950) 10.320 13.534 ( -9.941 6.728 -4.349) 12.768 13.771 ( -10.807 -1.410 5.076) 12.023 14.730 ( 12.088 6.118 -0.733) 13.568 15.413 ( 3.682 6.160 0.559) 7.198 18.143 ( -15.589 2.147 -2.331) 15.908 18.830 ( -0.480 4.185 3.387) 5.405 19.119 ( 0.983 1.010 -2.196) 2.609 19.532 ( 6.148 -6.547 0.603) 9.001 23.252 ( 0.407 -0.105 -1.082) 1.160 23.875 ( 4.837 -6.463 -0.810) 8.113 ======================= Grid point 217 (116/294) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.444 ( 11.022 -0.307 -1.031) 11.074 3.718 ( -4.950 -0.859 -4.264) 6.590 3.867 ( 21.101 -7.715 10.092) 24.629 4.712 ( -5.263 2.273 -5.367) 7.853 5.308 ( -1.937 -2.263 5.294) 6.075 5.812 ( -3.659 1.231 -2.565) 4.635 5.969 ( -1.713 -2.064 -0.207) 2.690 6.160 ( -5.685 -1.964 0.445) 6.031 6.740 ( -10.185 -5.475 -1.788) 11.701 7.785 ( -1.525 2.880 -2.388) 4.040 8.463 ( -2.841 11.661 -0.181) 12.003 8.698 ( 5.559 6.277 13.796) 16.145 9.306 ( -0.608 -12.981 -11.105) 17.094 9.986 ( 21.686 -0.475 2.122) 21.795 10.854 ( 14.086 2.730 -0.300) 14.352 11.333 ( 6.467 -13.135 4.103) 15.204 11.879 ( -11.333 0.967 -1.013) 11.419 12.038 ( -7.030 1.073 1.230) 7.217 12.684 ( 0.455 -1.391 0.134) 1.470 13.125 ( -11.384 5.506 -2.490) 12.889 13.442 ( -5.957 7.264 -4.854) 10.575 13.609 ( -7.552 -5.559 4.715) 10.497 14.919 ( 6.194 1.534 -0.266) 6.386 15.502 ( 2.311 2.729 0.704) 3.645 17.892 ( -14.841 -0.347 -0.893) 14.872 18.803 ( -2.780 -6.781 -0.526) 7.347 19.150 ( 0.349 5.338 2.082) 5.740 19.609 ( 7.689 -1.210 -1.792) 7.988 23.277 ( 1.557 2.305 -0.065) 2.782 23.910 ( 5.174 -2.505 -0.304) 5.757 ======================= Grid point 218 (117/294) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.561 ( 8.904 -6.033 -3.955) 11.459 3.686 ( -3.880 11.122 4.635) 12.658 4.188 ( 20.120 -5.076 3.741) 21.085 4.586 ( -10.215 4.164 -6.183) 12.646 5.265 ( -5.113 -2.109 5.189) 7.584 5.783 ( -6.441 1.480 -0.302) 6.615 5.841 ( 2.678 -6.882 -5.423) 9.162 6.176 ( 3.956 -0.140 3.174) 5.074 6.513 ( -9.256 -5.621 -0.293) 10.833 7.796 ( -1.591 5.870 -1.699) 6.314 8.544 ( -0.111 12.082 -3.363) 12.542 8.784 ( -2.286 -8.049 0.277) 8.372 9.251 ( 3.221 5.782 6.889) 9.554 10.308 ( 16.183 1.615 -2.563) 16.464 11.084 ( 12.000 1.266 -3.035) 12.442 11.278 ( -3.668 -4.206 2.491) 6.112 11.718 ( -4.908 -6.358 1.822) 8.236 11.972 ( -3.810 1.250 -0.143) 4.013 12.657 ( -2.520 -0.091 -2.294) 3.409 13.008 ( -6.637 4.031 1.814) 7.974 13.363 ( -8.114 2.559 -0.291) 8.513 13.535 ( 2.645 -4.858 -0.690) 5.574 14.935 ( -2.513 -3.821 0.004) 4.573 15.563 ( 1.974 2.463 0.501) 3.196 17.664 ( -10.943 -2.735 0.203) 11.281 18.630 ( -2.954 -16.060 -3.144) 16.629 19.269 ( 1.697 11.826 4.460) 12.753 19.707 ( 5.317 0.876 -1.790) 5.678 23.332 ( 1.801 3.085 0.119) 3.574 23.989 ( 5.346 1.221 -0.054) 5.484 ======================= Grid point 219 (118/294) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.627 ( -1.262 9.101 3.618) 9.875 3.800 ( 3.188 5.436 2.046) 6.626 4.392 ( -13.933 3.109 0.556) 14.287 4.449 ( 15.386 -3.672 -2.427) 16.004 5.176 ( -5.298 -0.339 0.136) 5.311 5.617 ( -1.965 -12.475 -2.966) 12.973 5.879 ( -1.200 5.402 -1.368) 5.700 6.238 ( 2.673 -3.946 1.780) 5.088 6.423 ( 3.220 -1.208 5.117) 6.165 7.768 ( -6.713 2.747 -3.725) 8.154 8.546 ( 0.614 -6.634 -9.571) 11.662 8.737 ( 1.206 9.987 0.312) 10.065 9.450 ( -0.364 11.338 14.001) 18.019 10.476 ( 3.493 5.229 -4.328) 7.634 11.147 ( -1.385 -3.063 3.659) 4.968 11.298 ( 6.072 3.898 -6.516) 9.722 11.644 ( 2.797 -7.431 3.844) 8.822 11.911 ( -3.822 -0.205 -1.690) 4.184 12.608 ( -1.549 1.108 -0.505) 1.970 13.004 ( -0.249 1.577 2.515) 2.979 13.266 ( -4.489 -1.879 2.975) 5.704 13.525 ( 3.471 -6.096 -6.876) 9.822 14.798 ( -8.227 -5.713 1.639) 10.150 15.609 ( 0.296 3.100 -0.795) 3.214 17.507 ( -4.690 -4.845 2.344) 7.139 18.398 ( -2.619 -18.949 -3.681) 19.480 19.464 ( 3.357 14.451 4.944) 15.638 19.763 ( 1.596 1.473 -1.912) 2.894 23.385 ( 1.567 2.439 -0.637) 2.968 24.097 ( 5.065 3.316 0.191) 6.057 ======================= Grid point 220 (119/294) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.710 ( -13.280 20.297 10.327) 26.362 3.817 ( -9.123 8.307 -5.432) 13.481 4.223 ( -4.106 -6.874 1.326) 8.116 4.629 ( 9.607 -1.280 5.935) 11.365 5.138 ( 4.322 -3.126 -3.559) 6.413 5.462 ( -3.782 -7.857 -1.147) 8.794 5.844 ( -6.298 3.783 -1.503) 7.499 6.280 ( 6.057 -3.034 2.590) 7.253 6.586 ( 10.635 -0.791 6.738) 12.615 7.583 ( -10.141 -3.906 -5.502) 12.181 8.462 ( -0.844 -2.399 -3.619) 4.423 8.906 ( 7.781 11.268 -5.488) 14.752 9.590 ( -4.697 10.343 15.187) 18.965 10.482 ( -6.288 6.374 -4.041) 9.823 11.134 ( -2.864 2.009 4.410) 5.629 11.341 ( 5.669 -3.003 -9.002) 11.054 11.723 ( 6.761 -4.789 6.505) 10.533 11.878 ( 1.838 5.204 -1.685) 5.770 12.634 ( 2.887 -0.580 3.251) 4.386 13.014 ( -0.586 -0.318 -0.728) 0.988 13.229 ( 0.054 -4.051 3.225) 5.179 13.421 ( 0.181 -10.193 -10.748) 14.814 14.624 ( -9.514 -2.978 3.831) 10.680 15.614 ( -2.416 3.957 -3.124) 5.590 17.458 ( 2.390 -6.579 5.224) 8.734 18.160 ( -2.723 -17.709 -3.235) 18.207 19.680 ( 3.638 11.784 1.336) 12.405 19.772 ( -1.196 3.936 0.386) 4.132 23.421 ( 1.754 1.378 -1.842) 2.893 24.204 ( 3.876 3.043 0.358) 4.941 ======================= Grid point 223 (120/294) ======================= q-point: ( 0.17 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.277 ( -22.317 6.814 -4.582) 23.780 3.737 ( -18.494 4.294 12.388) 22.670 4.632 ( 4.654 -0.822 2.935) 5.563 4.740 ( 2.852 0.461 6.280) 6.913 5.063 ( 3.287 -2.024 -2.193) 4.440 5.525 ( 6.006 -6.255 7.414) 11.409 5.843 ( -2.108 3.935 -0.123) 4.465 6.399 ( 3.159 -7.072 2.502) 8.140 6.659 ( 7.982 -6.114 -1.051) 10.109 7.656 ( 7.958 9.026 5.309) 13.152 8.363 ( -2.679 3.186 -4.192) 5.907 9.094 ( 6.414 -4.471 -10.598) 13.169 9.942 ( -0.083 -13.955 -3.137) 14.303 10.131 ( -19.594 7.195 12.066) 24.110 10.705 ( -9.878 -0.046 -5.763) 11.437 11.763 ( 4.178 -5.116 4.163) 7.808 11.915 ( 7.580 -7.151 -7.506) 12.843 12.059 ( 10.141 -3.942 -1.940) 11.052 12.610 ( -0.194 2.972 7.175) 7.769 12.818 ( 0.476 6.842 1.053) 6.939 13.177 ( 0.891 -1.629 1.446) 2.353 13.542 ( 7.497 5.875 8.720) 12.914 14.460 ( -5.066 5.570 -3.120) 8.150 15.504 ( -7.513 5.688 -5.716) 11.022 17.687 ( 3.462 8.059 5.735) 10.480 17.868 ( 12.385 -9.148 11.604) 19.280 19.570 ( -7.677 5.519 -9.969) 13.740 19.993 ( -1.170 -7.439 1.205) 7.626 23.448 ( 2.146 -0.202 -3.824) 4.390 24.178 ( -2.216 -4.564 -3.587) 6.213 ======================= Grid point 224 (121/294) ======================= q-point: ( 0.25 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.031 ( -16.462 9.115 3.751) 19.187 3.553 ( -19.271 2.311 17.444) 26.096 4.523 ( -1.128 -15.347 -2.904) 15.660 4.934 ( -0.074 6.763 10.073) 12.133 5.110 ( 8.997 3.268 -9.629) 13.578 5.573 ( 2.990 -6.674 8.647) 11.325 5.899 ( 5.049 2.978 -2.474) 6.362 6.383 ( 2.841 -7.480 2.503) 8.383 6.760 ( 8.596 -4.010 3.419) 10.083 7.846 ( 3.930 6.456 -3.920) 8.514 8.372 ( 0.253 5.496 3.151) 6.341 9.066 ( 4.292 -7.835 -7.905) 11.929 9.723 ( -5.257 -16.092 -5.274) 17.731 9.854 ( -24.982 -1.177 8.157) 26.307 10.615 ( -3.022 3.741 2.420) 5.384 11.578 ( -7.254 -15.644 -1.250) 17.290 12.065 ( 12.838 -1.384 -2.036) 13.072 12.235 ( 11.845 -3.442 1.076) 12.382 12.650 ( 0.586 -0.090 2.561) 2.629 12.954 ( 2.962 13.642 2.077) 14.114 13.212 ( 5.390 0.305 -2.078) 5.785 13.745 ( 5.649 1.853 8.230) 10.153 14.444 ( -4.831 12.268 -2.347) 13.392 15.389 ( -9.743 7.015 -5.117) 13.051 17.837 ( 3.505 13.087 -2.514) 13.780 18.163 ( 19.451 -7.927 20.446) 29.313 19.413 ( -10.146 5.813 -11.478) 16.385 19.876 ( -3.754 -10.574 2.381) 11.470 23.440 ( 1.315 -2.213 -5.124) 5.735 24.061 ( -2.867 -6.500 -3.602) 7.965 ======================= Grid point 225 (122/294) ======================= q-point: ( 0.33 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( -9.590 8.649 8.664) 15.551 3.375 ( -17.945 -0.756 21.916) 28.335 4.322 ( -0.891 -16.927 -6.801) 18.264 4.979 ( 1.950 -2.311 1.912) 3.577 5.230 ( 3.590 4.345 -6.995) 8.983 5.653 ( 6.127 -2.484 8.076) 10.437 5.998 ( 4.180 5.813 -2.606) 7.620 6.406 ( 5.812 -6.203 2.550) 8.875 6.885 ( 7.162 -1.979 4.554) 8.715 7.866 ( 0.913 2.246 -8.933) 9.256 8.469 ( -2.049 6.878 5.491) 9.036 8.991 ( -1.233 -7.413 -3.427) 8.259 9.433 ( -10.793 -10.996 -0.274) 15.410 9.514 ( -12.526 -9.563 4.281) 16.330 10.647 ( -1.006 2.409 5.905) 6.457 11.288 ( -9.084 -15.764 -1.629) 18.267 12.204 ( 6.485 -2.144 -1.862) 7.079 12.343 ( 5.380 -5.236 3.868) 8.445 12.689 ( 5.065 -1.029 -1.108) 5.286 13.144 ( 3.353 11.763 -0.221) 12.234 13.368 ( 13.151 6.162 -4.168) 15.110 13.847 ( 2.820 -1.175 3.574) 4.702 14.488 ( -6.232 14.328 1.971) 15.748 15.278 ( -8.980 9.170 -4.058) 13.461 18.030 ( 8.035 13.492 -5.821) 16.747 18.531 ( 17.250 -5.244 19.646) 26.665 19.225 ( -10.812 5.338 -10.631) 16.075 19.721 ( -5.397 -10.218 4.045) 12.243 23.387 ( 0.013 -4.006 -5.747) 7.006 23.933 ( -2.378 -7.471 -2.413) 8.203 ======================= Grid point 226 (123/294) ======================= q-point: ( 0.42 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( -4.361 2.511 10.283) 11.448 3.246 ( -11.946 -2.429 22.145) 25.278 4.114 ( -0.041 -15.619 -8.622) 17.841 5.013 ( 3.166 -1.193 0.018) 3.383 5.214 ( -0.454 -1.629 -5.418) 5.675 5.769 ( 5.058 -3.472 5.901) 8.513 6.126 ( 2.937 12.031 -3.536) 12.879 6.457 ( 4.849 -5.444 1.909) 7.536 6.996 ( 4.886 -0.585 2.343) 5.450 7.879 ( 3.378 2.980 -3.993) 6.020 8.429 ( -8.064 2.288 -3.693) 9.160 8.789 ( -12.859 -6.919 -0.212) 14.604 9.289 ( 0.658 -18.241 10.518) 21.066 9.362 ( -1.096 4.114 2.623) 5.001 10.666 ( -1.570 -3.268 5.062) 6.226 11.005 ( -6.045 -13.208 -1.431) 14.596 12.208 ( -0.156 -4.611 0.150) 4.616 12.379 ( 1.563 -1.855 1.100) 2.664 12.763 ( 4.550 -0.966 -0.949) 4.747 13.282 ( 4.252 7.363 -2.950) 9.000 13.640 ( 12.825 8.756 -5.741) 16.556 13.883 ( 1.554 0.317 1.277) 2.036 14.493 ( -9.100 9.228 3.162) 13.340 15.248 ( -3.940 11.145 -1.926) 11.977 18.261 ( 10.199 11.938 -7.724) 17.499 18.796 ( 6.253 -1.695 10.507) 12.344 19.066 ( -5.886 2.239 -4.987) 8.033 19.579 ( -4.876 -8.005 5.906) 11.079 23.310 ( -0.511 -4.196 -4.587) 6.238 23.825 ( -0.970 -7.445 -0.743) 7.545 ======================= Grid point 227 (124/294) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( 2.403 -4.117 12.191) 13.090 3.221 ( -1.883 -3.960 15.908) 16.501 3.938 ( -0.468 -10.259 -7.622) 12.789 5.003 ( -5.088 2.350 -2.471) 6.125 5.206 ( 5.397 -4.042 1.353) 6.877 5.815 ( 2.229 -5.026 3.705) 6.630 6.207 ( -2.666 10.234 -8.427) 13.522 6.485 ( 0.869 -2.236 3.547) 4.282 7.042 ( 1.154 -1.480 -1.182) 2.218 7.953 ( -0.152 3.245 1.867) 3.746 8.305 ( -0.245 3.396 -11.994) 12.468 8.560 ( -7.310 -5.422 2.996) 9.581 9.216 ( 1.993 -14.610 11.785) 18.877 9.479 ( 3.279 4.206 5.822) 7.895 10.565 ( -3.758 -7.980 -0.069) 8.821 10.909 ( 4.824 -8.070 3.764) 10.127 12.151 ( -1.816 -3.295 0.210) 3.768 12.377 ( -0.966 -0.400 -0.013) 1.046 12.783 ( -1.098 0.219 -0.250) 1.147 13.355 ( 0.771 4.487 -6.787) 8.172 13.774 ( -1.328 6.121 -5.306) 8.209 13.978 ( 4.975 2.018 4.443) 6.969 14.441 ( -3.553 5.399 -1.595) 6.657 15.319 ( 0.805 8.838 0.388) 8.883 18.437 ( 3.403 8.344 -9.153) 12.845 18.832 ( -3.999 5.645 2.255) 7.277 19.031 ( 2.891 -4.837 -0.994) 5.722 19.496 ( -2.584 -5.950 7.159) 9.660 23.252 ( -0.099 -2.394 -2.017) 3.132 23.762 ( 1.139 -6.080 0.934) 6.256 ======================= Grid point 228 (125/294) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( 9.366 -3.984 8.657) 13.362 3.293 ( 8.596 -10.108 11.424) 17.509 3.828 ( -1.621 -1.469 -4.217) 4.751 4.904 ( -7.375 2.882 -2.179) 8.213 5.282 ( 4.291 -2.139 4.117) 6.320 5.800 ( 0.744 -6.474 1.642) 6.720 6.161 ( -6.126 8.676 -8.330) 13.498 6.439 ( -6.815 -2.966 2.104) 7.725 6.987 ( -3.720 -2.336 -3.833) 5.830 7.902 ( -5.873 1.614 -2.300) 6.510 8.408 ( 10.013 8.059 -7.837) 15.054 8.517 ( 2.234 -0.216 6.431) 6.811 9.203 ( 3.829 -12.575 6.104) 14.493 9.570 ( 2.434 -1.416 7.451) 7.966 10.522 ( 4.654 0.245 0.207) 4.665 10.983 ( 9.662 -9.780 5.867) 14.947 12.096 ( -2.592 -0.574 -0.985) 2.831 12.332 ( -5.226 0.892 -0.347) 5.313 12.741 ( -3.993 0.738 0.135) 4.063 13.323 ( -2.653 2.938 -7.126) 8.152 13.712 ( -7.622 5.512 -6.704) 11.550 13.973 ( -10.314 -1.982 7.614) 12.972 14.547 ( 12.584 3.744 -4.941) 14.028 15.416 ( 2.630 3.867 1.440) 4.893 18.371 ( -11.310 4.711 -7.358) 14.291 18.845 ( -0.569 -2.941 0.278) 3.009 19.066 ( 6.324 2.273 -2.982) 7.352 19.458 ( -0.700 -4.000 5.510) 6.845 23.244 ( 0.704 0.676 0.434) 1.068 23.763 ( 3.174 -3.445 2.422) 5.273 ======================= Grid point 229 (126/294) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.253 ( 8.409 -5.370 -0.079) 9.977 3.470 ( 19.626 -13.279 9.284) 25.450 3.819 ( -1.895 8.299 0.629) 8.536 4.813 ( -6.260 4.178 -1.791) 7.737 5.338 ( 0.442 -0.326 4.855) 4.886 5.756 ( 1.137 -6.427 0.359) 6.536 6.075 ( -7.503 3.884 -7.696) 11.429 6.265 ( -9.413 -2.698 0.720) 9.818 6.839 ( -8.267 -2.730 -4.409) 9.759 7.844 ( -2.653 4.211 -1.056) 5.088 8.549 ( 4.185 7.943 -7.113) 11.454 8.696 ( 7.521 1.650 9.313) 12.084 9.151 ( 2.351 -6.415 -2.939) 7.437 9.705 ( 12.442 -4.363 10.241) 16.695 10.695 ( 10.769 5.278 0.978) 12.033 11.083 ( 10.000 -10.930 5.848) 15.927 12.035 ( -5.288 2.473 -3.079) 6.600 12.210 ( -10.681 2.159 -0.812) 10.927 12.691 ( -2.406 -0.255 0.681) 2.513 13.264 ( -3.357 2.254 -4.768) 6.251 13.573 ( -9.073 4.405 -7.398) 12.508 13.774 ( -13.804 -4.199 5.003) 15.272 14.757 ( 12.584 -0.842 -3.025) 12.970 15.487 ( 2.652 0.399 1.983) 3.335 18.129 ( -16.047 1.931 -7.160) 17.678 18.732 ( -2.784 -13.010 -1.959) 13.448 19.198 ( 4.658 6.940 -0.685) 8.386 19.498 ( 4.713 0.605 3.238) 5.750 23.288 ( 1.187 3.424 1.779) 4.037 23.825 ( 4.364 -0.260 3.260) 5.453 ======================= Grid point 230 (127/294) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.313 ( 9.794 -8.118 -2.431) 12.951 3.741 ( 20.284 -8.885 3.819) 22.471 3.926 ( 1.149 13.092 2.768) 13.431 4.750 ( -7.012 6.353 -2.011) 9.673 5.341 ( -2.770 -1.153 4.760) 5.627 5.702 ( -0.840 -11.397 -2.138) 11.626 5.899 ( -6.416 1.783 -5.077) 8.374 6.178 ( -2.164 1.707 0.305) 2.773 6.641 ( -10.427 -1.585 -2.004) 10.735 7.875 ( -1.168 6.865 1.261) 7.077 8.562 ( -0.318 -4.109 -12.562) 13.221 8.775 ( -0.849 2.744 5.000) 5.766 9.284 ( 9.230 9.829 7.301) 15.333 9.984 ( 19.909 -4.393 4.577) 20.895 10.899 ( 10.010 -1.430 0.211) 10.114 11.186 ( 8.037 -3.359 5.237) 10.164 11.900 ( -13.236 4.445 -3.108) 14.305 12.073 ( -7.066 2.480 -1.637) 7.666 12.662 ( -1.075 -1.379 -0.017) 1.749 13.179 ( -7.706 2.751 -1.656) 8.348 13.446 ( -2.316 -3.721 -6.697) 8.004 13.552 ( -11.875 -0.638 1.950) 12.051 14.861 ( 5.535 -6.245 -0.962) 8.400 15.545 ( 2.942 0.351 1.931) 3.536 17.832 ( -14.602 -0.928 -8.417) 16.879 18.518 ( -4.674 -17.902 0.835) 18.521 19.344 ( 4.616 10.636 -1.403) 11.679 19.626 ( 5.969 2.178 2.898) 6.984 23.354 ( 0.742 4.413 1.894) 4.859 23.931 ( 4.819 2.553 3.125) 6.286 ======================= Grid point 231 (128/294) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.438 ( 14.755 -4.113 -1.199) 15.364 3.975 ( 9.002 2.549 4.798) 10.515 4.113 ( 10.391 4.770 -1.655) 11.553 4.653 ( -11.650 7.159 -2.477) 13.897 5.274 ( -7.370 -2.105 1.362) 7.785 5.491 ( -1.969 -13.698 -4.303) 14.492 5.911 ( 2.501 2.530 0.924) 3.675 6.191 ( 1.119 0.870 -0.542) 1.518 6.492 ( -7.127 2.029 2.897) 7.956 7.876 ( -6.334 1.094 -1.061) 6.515 8.409 ( 1.041 -6.094 -9.976) 11.736 8.849 ( -1.571 11.016 1.323) 11.206 9.582 ( 6.872 10.500 10.289) 16.228 10.264 ( 17.753 -4.536 -2.493) 18.492 10.993 ( 8.104 -7.924 2.037) 11.516 11.353 ( 5.183 8.901 4.069) 11.074 11.702 ( -13.200 3.393 -0.611) 13.642 11.988 ( -5.475 2.170 -2.099) 6.253 12.620 ( -1.267 -1.955 -1.329) 2.682 13.080 ( -5.663 2.171 -0.952) 6.139 13.298 ( -2.565 -12.690 -0.226) 12.949 13.443 ( -4.377 3.477 -5.029) 7.519 14.821 ( -1.256 -8.567 1.581) 8.801 15.608 ( 2.420 1.489 0.651) 2.915 17.570 ( -9.020 -3.380 -6.907) 11.853 18.280 ( -5.066 -18.048 3.227) 19.021 19.527 ( 5.792 12.184 -2.567) 13.732 19.741 ( 3.299 2.355 3.117) 5.113 23.405 ( -0.316 3.594 0.962) 3.734 24.057 ( 4.753 4.056 2.212) 6.628 ======================= Grid point 232 (129/294) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.680 ( 16.795 0.617 -1.680) 16.890 4.120 ( -5.114 12.932 5.846) 15.085 4.287 ( 8.527 -1.562 -7.814) 11.671 4.512 ( -6.765 1.069 6.364) 9.349 5.092 ( -5.991 -5.764 -4.941) 9.671 5.403 ( 1.534 -5.704 0.545) 5.932 5.969 ( -0.248 2.857 1.070) 3.061 6.192 ( 0.340 -0.845 -0.402) 0.996 6.513 ( 2.620 2.323 6.149) 7.076 7.670 ( -10.599 -7.601 -3.944) 13.626 8.404 ( 3.888 2.033 -5.398) 6.956 8.926 ( -0.562 11.005 -4.049) 11.740 9.791 ( 1.125 7.393 10.810) 13.144 10.410 ( 9.970 -6.797 -6.771) 13.836 11.090 ( 7.747 -1.550 2.910) 8.420 11.463 ( -12.169 13.464 -0.503) 18.155 11.621 ( 4.796 -0.606 4.416) 6.548 11.927 ( -2.647 3.650 1.568) 4.773 12.592 ( 1.551 -3.181 -0.307) 3.553 13.005 ( -1.627 -3.796 -6.210) 7.458 13.172 ( -0.468 -8.827 1.358) 8.943 13.364 ( -4.512 0.462 -3.048) 5.465 14.714 ( -4.218 -6.614 3.186) 8.467 15.646 ( 0.238 2.285 -1.465) 2.725 17.414 ( -2.033 -4.732 -2.054) 5.545 18.067 ( -4.683 -15.196 4.030) 16.404 19.693 ( 4.206 7.730 -4.715) 9.984 19.829 ( 1.752 5.501 3.820) 6.923 23.423 ( -0.777 2.173 -0.542) 2.371 24.175 ( 3.841 3.614 0.883) 5.348 ======================= Grid point 236 (130/294) ======================= q-point: ( 0.17 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.562 ( -12.380 1.921 -7.403) 14.552 4.053 ( -9.620 4.167 -4.766) 11.516 4.408 ( 10.832 -13.825 -4.163) 18.050 4.697 ( 5.528 -0.124 8.678) 10.290 5.082 ( -0.371 4.234 7.070) 8.250 5.447 ( 2.854 -3.145 5.792) 7.182 5.963 ( -6.975 1.779 -1.066) 7.277 6.299 ( 5.447 -3.982 3.891) 7.789 6.490 ( 2.988 -6.078 0.345) 6.782 7.651 ( 7.226 8.751 6.500) 13.078 8.408 ( -1.824 3.765 -5.892) 7.226 8.915 ( 2.712 -0.942 -12.668) 12.990 9.747 ( 3.101 -14.388 -7.340) 16.448 10.475 ( -5.771 5.724 6.593) 10.466 10.898 ( -15.306 3.770 -8.432) 17.877 11.562 ( 9.539 -9.687 -5.910) 14.824 11.731 ( 6.698 -2.732 4.429) 8.481 11.957 ( -2.470 -4.260 1.978) 5.307 12.642 ( 1.546 -0.220 3.521) 3.851 12.903 ( 1.535 11.164 1.626) 11.386 13.179 ( -3.105 -4.978 3.491) 6.827 13.561 ( 5.236 5.844 14.580) 16.557 14.520 ( -0.095 3.293 -4.644) 5.694 15.607 ( -3.745 3.261 -3.775) 6.238 17.636 ( 11.036 -5.656 13.807) 18.559 17.835 ( -1.553 8.759 5.464) 10.440 19.661 ( -5.105 3.584 -8.346) 10.420 19.920 ( 0.499 -8.489 -2.213) 8.787 23.412 ( -0.177 0.426 -2.740) 2.779 24.165 ( -2.965 -2.307 -4.249) 5.672 ======================= Grid point 237 (131/294) ======================= q-point: ( 0.25 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.354 ( -13.529 5.501 0.074) 14.605 3.893 ( -11.370 1.876 0.162) 11.525 4.340 ( 1.670 -18.196 -1.809) 18.362 4.858 ( 10.024 -3.518 -2.622) 10.942 5.134 ( -3.217 10.779 5.022) 12.319 5.512 ( 4.036 -4.562 7.960) 10.023 5.888 ( -2.086 2.097 -2.178) 3.673 6.318 ( 1.272 -5.070 3.183) 6.120 6.577 ( 10.352 -5.330 4.733) 12.569 7.837 ( 2.483 6.162 -1.370) 6.783 8.429 ( 1.603 7.710 0.720) 7.907 8.882 ( 4.295 -4.701 -8.263) 10.432 9.565 ( -1.693 -16.734 -8.515) 18.852 10.290 ( -22.155 0.996 -0.627) 22.186 10.774 ( -5.537 8.652 2.418) 10.553 11.527 ( -1.453 -11.791 -1.098) 11.931 11.830 ( 10.398 -4.837 3.619) 12.026 12.017 ( 10.207 -1.029 -1.478) 10.364 12.663 ( -0.541 -0.316 1.500) 1.626 13.050 ( 1.749 11.567 0.963) 11.738 13.131 ( 2.185 -3.238 0.732) 3.974 13.729 ( 3.019 -1.977 11.338) 11.898 14.576 ( 0.809 11.990 -2.679) 12.313 15.540 ( -5.969 3.595 -3.128) 7.638 17.793 ( 9.617 -4.671 2.195) 10.914 18.061 ( 7.097 12.357 17.419) 22.506 19.527 ( -7.271 1.626 -10.676) 13.019 19.822 ( -1.031 -9.380 -0.395) 9.445 23.385 ( -0.338 -1.243 -4.054) 4.254 24.053 ( -4.341 -3.388 -3.675) 6.620 ======================= Grid point 238 (132/294) ======================= q-point: ( 0.33 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.239 ( -11.016 8.090 4.177) 14.291 3.729 ( -13.139 -1.097 9.419) 16.204 4.133 ( -2.110 -18.420 -5.182) 19.251 4.881 ( 3.937 -6.488 -4.064) 8.609 5.245 ( 0.008 9.064 0.530) 9.079 5.593 ( 4.204 -1.082 6.927) 8.175 5.926 ( 5.736 2.771 -2.790) 6.954 6.326 ( 2.705 -4.679 4.710) 7.168 6.736 ( 10.696 -3.420 3.944) 11.902 7.836 ( -1.299 1.690 -7.025) 7.341 8.559 ( 1.069 6.412 -0.199) 6.503 8.884 ( 4.651 -3.762 0.614) 6.014 9.316 ( -2.863 -15.989 -5.636) 17.193 9.891 ( -25.523 0.798 -1.152) 25.561 10.804 ( -5.480 7.727 7.025) 11.794 11.313 ( -10.102 -12.850 2.469) 16.531 12.009 ( 13.274 -2.762 -1.281) 13.619 12.168 ( 10.957 -4.717 1.112) 11.981 12.640 ( -0.921 -0.676 -1.382) 1.793 13.184 ( 7.568 6.335 -4.079) 10.679 13.219 ( 4.342 6.158 0.399) 7.545 13.785 ( 3.592 -5.717 5.198) 8.521 14.698 ( -1.843 13.797 1.406) 13.991 15.452 ( -6.951 4.348 -2.368) 8.534 17.934 ( 10.536 1.344 -3.181) 11.088 18.423 ( 10.710 8.151 19.046) 23.322 19.345 ( -7.665 -0.083 -10.540) 13.033 19.712 ( -2.959 -7.865 1.261) 8.497 23.329 ( -0.981 -2.396 -4.800) 5.454 23.929 ( -4.702 -3.714 -1.694) 6.227 ======================= Grid point 239 (133/294) ======================= q-point: ( 0.42 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( -10.735 5.357 3.967) 12.636 3.554 ( -15.044 -5.912 18.505) 24.571 3.929 ( 0.672 -12.333 -7.124) 14.259 4.884 ( 6.253 -4.256 -2.802) 8.066 5.264 ( -4.511 4.144 -0.625) 6.157 5.694 ( 4.565 -1.378 4.492) 6.551 6.075 ( 9.333 6.022 -4.437) 11.961 6.371 ( 4.134 -3.981 4.804) 7.484 6.886 ( 8.503 -1.477 0.204) 8.633 7.812 ( 2.303 1.629 -5.728) 6.385 8.496 ( -5.414 -3.794 -8.504) 10.772 8.900 ( -2.884 -5.174 2.537) 6.444 9.184 ( -1.188 -5.779 2.220) 6.304 9.556 ( -14.777 2.451 6.109) 16.177 10.792 ( -8.117 2.227 6.862) 10.860 11.033 ( -11.011 -10.546 2.746) 15.492 12.125 ( 5.298 -3.605 -1.860) 6.673 12.292 ( 8.053 -4.327 2.033) 9.365 12.648 ( 4.820 -0.077 -2.928) 5.640 13.291 ( 1.605 6.172 -2.867) 6.992 13.431 ( 15.223 6.276 -5.796) 17.457 13.827 ( 4.559 -3.204 1.188) 5.697 14.738 ( -8.037 7.822 2.637) 11.521 15.392 ( -4.689 6.031 -1.140) 7.724 18.118 ( 12.410 4.299 -6.325) 14.577 18.735 ( 7.642 3.535 13.168) 15.630 19.174 ( -6.612 0.991 -7.878) 10.333 19.600 ( -3.759 -6.958 3.625) 8.700 23.263 ( -0.974 -1.982 -3.823) 4.415 23.820 ( -4.162 -3.244 0.854) 5.346 ======================= Grid point 240 (134/294) ======================= q-point: ( 0.50 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.045 ( -7.313 -2.485 5.388) 9.418 3.374 ( -11.046 -9.334 16.900) 22.243 3.847 ( 0.556 -1.791 -2.985) 3.525 4.971 ( 8.320 -2.015 -0.651) 8.585 5.206 ( -5.593 2.827 0.803) 6.318 5.754 ( 2.602 -2.814 2.163) 4.401 6.228 ( 4.544 6.983 -6.969) 10.862 6.440 ( 4.758 -2.673 4.332) 6.968 6.969 ( 4.524 -1.206 -4.114) 6.233 7.874 ( 7.184 -0.026 -4.755) 8.615 8.298 ( -5.240 -3.213 -10.169) 11.882 8.727 ( -13.726 -0.556 -1.004) 13.774 9.116 ( 1.510 -10.321 7.998) 13.144 9.570 ( -1.421 5.173 12.431) 13.539 10.633 ( -10.507 -5.974 3.972) 12.722 10.882 ( -4.122 -1.622 4.966) 6.655 12.124 ( 0.991 -3.525 -1.150) 3.838 12.357 ( 2.855 -1.305 0.048) 3.140 12.732 ( 5.943 -0.630 -1.592) 6.185 13.342 ( 1.305 5.233 -6.177) 8.201 13.692 ( 13.315 3.923 -6.074) 15.152 13.886 ( 5.451 -0.058 -0.626) 5.487 14.625 ( -11.858 1.907 1.153) 12.066 15.393 ( -1.635 4.679 0.360) 4.969 18.322 ( 12.005 5.706 -8.985) 16.045 18.856 ( 0.906 -2.281 2.340) 3.391 19.067 ( -5.490 3.681 -2.756) 7.161 19.519 ( -2.275 -6.508 6.814) 9.693 23.228 ( -0.023 -0.121 -1.250) 1.256 23.753 ( -2.630 -1.643 3.306) 4.533 ======================= Grid point 241 (135/294) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( 2.776 -8.772 7.595) 11.930 3.235 ( -4.438 -11.886 11.062) 16.833 3.867 ( -0.883 7.500 1.078) 7.629 5.023 ( -2.713 1.489 -1.584) 3.476 5.217 ( 3.821 1.179 5.401) 6.720 5.752 ( 0.182 -3.423 0.055) 3.429 6.253 ( -2.532 5.463 -8.175) 10.153 6.487 ( -0.433 -2.357 2.791) 3.678 6.961 ( 0.489 -1.683 -7.164) 7.375 7.908 ( 3.218 -4.890 -6.868) 9.024 8.257 ( 6.180 7.105 -8.351) 12.586 8.543 ( -5.347 -0.290 -0.406) 5.370 9.132 ( 1.931 -8.352 11.213) 14.115 9.622 ( -3.099 -2.425 11.640) 12.287 10.522 ( -2.247 1.943 4.122) 5.081 10.878 ( 0.892 -1.491 6.123) 6.364 12.099 ( 0.044 -1.072 -1.901) 2.183 12.372 ( -0.077 0.115 -0.327) 0.355 12.778 ( 0.933 -0.064 -0.730) 1.186 13.335 ( -1.780 3.227 -8.570) 9.329 13.774 ( -0.187 2.609 -7.720) 8.151 14.035 ( 8.422 -1.912 4.516) 9.745 14.456 ( -6.320 -0.106 -4.230) 7.605 15.416 ( 0.790 0.247 1.552) 1.759 18.457 ( 2.736 6.582 -10.652) 12.817 18.782 ( -2.027 -6.726 -7.141) 10.017 19.041 ( -0.948 3.423 3.489) 4.979 19.480 ( -1.216 -5.014 7.009) 8.703 23.249 ( 1.102 2.471 1.436) 3.063 23.751 ( -0.329 0.761 5.259) 5.324 ======================= Grid point 242 (136/294) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( 10.275 -10.550 4.798) 15.489 3.147 ( 5.427 -16.716 6.586) 18.768 3.962 ( -1.660 14.009 3.333) 14.495 4.954 ( -6.315 3.729 -0.528) 7.353 5.339 ( 3.759 1.045 5.465) 6.714 5.710 ( -1.062 -3.517 0.249) 3.682 6.148 ( -6.247 -0.839 -10.677) 12.398 6.407 ( -8.537 0.475 1.504) 8.681 6.875 ( -3.071 -1.917 -7.917) 8.705 7.888 ( 1.965 1.290 -3.001) 3.812 8.404 ( 8.264 3.494 -10.914) 14.129 8.595 ( 10.103 2.007 1.627) 10.429 9.124 ( -1.863 -2.458 6.560) 7.249 9.628 ( 1.777 -7.134 14.627) 16.371 10.617 ( 5.066 3.664 4.103) 7.479 10.957 ( 4.306 1.601 6.959) 8.338 12.082 ( -0.918 2.101 -3.474) 4.162 12.343 ( -4.291 0.998 -0.998) 4.517 12.753 ( -3.615 0.561 -0.556) 3.701 13.263 ( -1.795 -0.048 -7.683) 7.890 13.695 ( -6.438 3.213 -9.440) 11.869 13.992 ( -12.469 -5.851 7.717) 15.788 14.487 ( 13.740 -2.327 -7.113) 15.646 15.445 ( 2.859 -3.006 2.926) 5.076 18.340 ( -13.817 3.886 -13.825) 19.928 18.639 ( -1.020 -10.435 -4.009) 11.225 19.138 ( 5.966 3.144 1.719) 6.960 19.490 ( 1.745 -0.610 6.062) 6.337 23.319 ( 1.490 4.749 2.814) 5.717 23.816 ( 1.750 3.023 6.317) 7.218 ======================= Grid point 243 (137/294) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( 7.724 -13.294 -1.599) 15.458 3.288 ( 21.354 -15.861 5.109) 27.086 4.099 ( -1.614 16.599 2.402) 16.850 4.903 ( -5.318 4.874 0.725) 7.250 5.386 ( -0.609 -0.967 2.087) 2.379 5.637 ( -3.736 -8.076 -0.338) 8.905 5.960 ( -5.494 -0.729 -8.653) 10.276 6.290 ( -8.281 3.792 0.403) 9.117 6.748 ( -5.680 -0.341 -5.577) 7.968 7.960 ( 1.310 6.494 2.452) 7.064 8.395 ( 2.245 -8.585 -11.814) 14.775 8.814 ( 7.936 7.128 1.038) 10.718 9.218 ( 9.160 8.154 1.294) 12.331 9.741 ( 9.411 -7.867 15.017) 19.390 10.731 ( 6.708 -5.372 3.592) 9.315 11.139 ( 5.977 9.980 6.972) 13.563 12.059 ( -3.594 5.555 -4.956) 8.266 12.229 ( -9.795 1.929 -2.458) 10.281 12.685 ( -3.519 -1.084 -0.906) 3.792 13.203 ( 0.375 -2.999 -4.757) 5.636 13.509 ( -11.524 -0.727 -7.748) 13.906 13.758 ( -13.091 -2.377 2.674) 13.571 14.636 ( 12.472 -7.526 -3.161) 14.906 15.494 ( 4.222 -2.933 3.869) 6.434 17.997 ( -16.289 -0.773 -17.947) 24.249 18.479 ( -6.136 -13.206 5.983) 15.743 19.291 ( 8.431 6.646 -4.499) 11.640 19.596 ( 4.833 2.274 6.478) 8.396 23.405 ( 0.711 5.531 2.677) 6.186 23.928 ( 2.847 4.503 6.054) 8.065 ======================= Grid point 244 (138/294) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( 15.556 -8.928 -3.174) 18.214 3.536 ( 24.531 -15.863 2.836) 29.351 4.237 ( -0.829 16.141 -0.868) 16.186 4.847 ( -6.941 2.476 -1.348) 7.491 5.365 ( -2.732 -0.427 2.639) 3.822 5.412 ( -7.325 -11.299 -5.315) 14.477 5.896 ( -0.322 0.145 -0.853) 0.924 6.232 ( -3.822 4.744 -0.507) 6.114 6.645 ( -5.851 3.737 -1.340) 7.071 7.974 ( -6.915 -2.483 -0.681) 7.378 8.287 ( 2.982 -3.127 -6.475) 7.784 8.974 ( 0.845 10.833 0.787) 10.895 9.518 ( 15.484 9.624 -3.615) 18.586 9.933 ( 13.554 -9.061 9.699) 18.971 10.805 ( 8.024 -7.634 5.608) 12.414 11.388 ( 5.808 13.370 6.081) 15.794 11.982 ( -12.403 8.032 -2.641) 15.010 12.088 ( -6.060 3.237 -4.099) 8.000 12.607 ( -2.124 -4.112 -2.343) 5.187 13.117 ( -2.716 -8.824 -5.201) 10.597 13.276 ( -8.597 -2.055 -2.063) 9.077 13.584 ( -9.339 1.805 -0.499) 9.525 14.694 ( 6.496 -10.542 0.066) 12.383 15.568 ( 4.273 -0.900 3.057) 5.331 17.643 ( -11.939 -2.556 -15.536) 19.760 18.279 ( -8.401 -14.102 9.976) 19.209 19.474 ( 8.869 9.204 -6.788) 14.472 19.735 ( 4.374 2.936 5.639) 7.717 23.464 ( -1.025 4.510 1.646) 4.909 24.054 ( 3.134 4.909 4.322) 7.252 ======================= Grid point 245 (139/294) ======================= q-point: (-0.08 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( 20.870 -3.275 -5.750) 21.894 3.818 ( 25.092 -14.012 4.163) 29.040 4.362 ( -0.062 14.045 -2.107) 14.202 4.695 ( -9.432 -1.939 -3.999) 10.426 5.140 ( -9.447 -6.844 -3.803) 12.270 5.378 ( -1.232 1.424 3.551) 4.019 5.914 ( 3.973 -3.448 2.208) 5.705 6.231 ( -1.859 4.519 -1.162) 5.022 6.616 ( -4.422 6.375 2.374) 8.113 7.728 ( -10.151 -10.905 -3.912) 15.404 8.335 ( 3.954 3.144 -3.512) 6.152 9.047 ( -3.498 10.895 -3.275) 11.903 9.782 ( 10.854 4.721 -5.189) 12.924 10.094 ( 12.619 -9.016 2.524) 15.713 10.950 ( 10.848 -2.838 8.221) 13.904 11.618 ( 3.186 8.952 4.018) 10.316 11.811 ( -15.116 9.675 -2.108) 18.071 12.044 ( -4.003 6.920 2.241) 8.303 12.515 ( 0.094 -7.120 -4.490) 8.418 12.920 ( -3.291 -9.950 -6.996) 12.601 13.179 ( -3.579 -0.729 1.686) 4.023 13.471 ( -7.083 1.239 1.286) 7.304 14.668 ( 2.155 -9.889 1.570) 10.242 15.635 ( 2.414 0.675 0.534) 2.563 17.410 ( -5.200 -1.859 -7.657) 9.440 18.081 ( -7.777 -12.612 9.876) 17.807 19.642 ( 6.489 7.017 -6.010) 11.290 19.854 ( 3.214 4.214 2.740) 5.967 23.474 ( -2.518 2.753 0.266) 3.740 24.164 ( 2.783 4.061 1.706) 5.210 ======================= Grid point 248 (140/294) ======================= q-point: ( 0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.575 ( 7.617 1.496 -13.240) 15.348 3.853 ( 17.842 -16.787 -13.668) 28.053 4.235 ( -6.589 -3.834 -2.910) 8.160 4.764 ( -2.006 0.081 11.885) 12.054 5.140 ( 5.038 6.612 7.514) 11.205 5.454 ( -2.275 -1.380 4.973) 5.641 5.975 ( 2.744 -3.860 -1.996) 5.140 6.250 ( 0.499 -1.027 5.194) 5.318 6.496 ( -7.230 -2.154 -0.524) 7.562 7.665 ( 6.843 8.429 9.109) 14.172 8.382 ( 3.944 2.087 -7.051) 8.344 8.875 ( -5.981 3.454 -13.145) 14.849 9.515 ( 3.882 -11.886 -6.792) 14.229 10.480 ( 9.088 1.895 -5.920) 11.010 11.022 ( -2.800 -4.489 -9.026) 10.463 11.415 ( -6.358 1.522 -7.870) 10.231 11.693 ( 2.106 -0.564 10.534) 10.757 12.042 ( -8.599 -4.543 6.746) 11.836 12.615 ( 2.941 -0.735 1.880) 3.567 12.982 ( 1.058 8.564 1.347) 8.734 13.218 ( -4.091 -4.724 4.443) 7.668 13.651 ( 2.446 4.834 17.264) 18.094 14.469 ( 5.099 1.171 -5.455) 7.559 15.642 ( -0.651 1.439 -3.247) 3.611 17.521 ( 4.167 -7.319 10.793) 13.690 18.018 ( -1.523 13.964 9.907) 17.189 19.680 ( -2.273 -3.310 -9.749) 10.544 19.816 ( 1.041 -4.595 -3.479) 5.857 23.432 ( -2.749 1.349 -1.141) 3.268 24.175 ( -2.831 -0.337 -4.430) 5.268 ======================= Grid point 249 (141/294) ======================= q-point: ( 0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.554 ( -3.978 3.377 -3.750) 6.425 3.824 ( 4.932 -12.851 -12.868) 18.843 4.187 ( 4.837 -1.868 -4.650) 6.965 4.757 ( -2.789 -3.079 5.209) 6.663 5.281 ( 0.361 2.186 8.501) 8.785 5.480 ( 2.357 2.722 4.558) 5.809 5.922 ( -2.371 -1.505 -4.371) 5.195 6.271 ( 0.531 -4.516 2.704) 5.290 6.454 ( 3.188 -2.593 7.041) 8.152 7.863 ( 1.956 5.478 3.372) 6.723 8.445 ( 4.312 6.202 -4.610) 8.850 8.779 ( -0.270 0.630 -5.622) 5.663 9.388 ( -0.373 -12.497 -8.057) 14.873 10.494 ( -4.085 -1.692 -7.648) 8.834 10.926 ( -3.386 7.768 -4.808) 9.743 11.383 ( 4.821 -1.484 -3.831) 6.334 11.755 ( 0.183 -5.340 10.186) 11.502 11.931 ( -2.363 -2.385 2.259) 4.047 12.663 ( 1.842 -0.198 1.628) 2.466 13.088 ( 2.105 0.502 3.754) 4.333 13.125 ( -2.459 1.103 0.368) 2.720 13.749 ( -0.950 -4.792 10.365) 11.458 14.608 ( 6.849 10.917 -1.412) 12.965 15.613 ( -2.550 1.117 -2.367) 3.654 17.598 ( 8.347 -8.459 6.950) 13.767 18.238 ( 1.523 17.412 12.756) 21.638 19.511 ( -2.608 -9.198 -11.011) 14.582 19.777 ( -1.256 -1.057 -2.017) 2.601 23.387 ( -2.754 0.335 -2.003) 3.422 24.084 ( -4.420 -0.733 -3.877) 5.925 ======================= Grid point 250 (142/294) ======================= q-point: ( 0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.498 ( -9.296 7.747 2.692) 12.396 3.727 ( 5.871 -9.467 -8.303) 13.893 4.131 ( -9.185 -3.877 0.631) 9.990 4.727 ( 3.719 -4.643 -3.496) 6.900 5.327 ( 0.065 -1.056 7.164) 7.242 5.607 ( 2.331 7.709 3.630) 8.834 5.861 ( 0.374 -0.303 -4.515) 4.541 6.256 ( 2.546 -5.828 2.969) 7.019 6.572 ( 8.258 -2.586 5.759) 10.394 7.860 ( -3.767 1.128 -3.306) 5.137 8.521 ( 3.701 -0.840 -7.270) 8.201 8.829 ( 2.951 1.104 4.437) 5.442 9.218 ( -2.058 -5.431 -3.386) 6.723 10.252 ( -18.621 1.550 -6.273) 19.710 10.977 ( -1.548 9.982 -0.295) 10.106 11.370 ( -4.219 -7.559 3.310) 9.268 11.778 ( 7.582 -5.946 4.972) 10.843 11.974 ( 7.710 -1.370 -1.772) 8.029 12.665 ( -2.251 -0.190 -0.359) 2.287 13.072 ( 3.754 -2.551 0.497) 4.566 13.240 ( 4.133 7.407 -0.399) 8.491 13.707 ( 0.477 -9.025 4.033) 9.897 14.812 ( 3.557 11.297 1.741) 11.971 15.554 ( -4.219 0.918 -1.468) 4.561 17.720 ( 11.375 -5.462 2.032) 12.781 18.519 ( 4.581 14.050 13.084) 19.738 19.318 ( -2.492 -9.190 -9.099) 13.171 19.723 ( -3.419 -0.317 -1.422) 3.716 23.327 ( -2.977 -0.155 -2.445) 3.855 23.981 ( -5.193 -0.503 -1.892) 5.550 ======================= Grid point 251 (143/294) ======================= q-point: ( 0.42 0.67 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.413 ( -11.227 6.248 0.998) 12.887 3.740 ( 3.229 -2.007 -0.781) 3.882 3.874 ( -14.835 -8.184 8.125) 18.790 4.741 ( 4.935 -1.478 -5.437) 7.490 5.350 ( -0.684 -1.904 4.913) 5.313 5.693 ( -1.153 5.403 1.589) 5.748 5.917 ( 9.957 0.751 -5.250) 11.282 6.290 ( 4.559 -4.071 4.551) 7.620 6.718 ( 9.531 -1.686 -0.180) 9.681 7.790 ( -2.135 1.085 -4.795) 5.360 8.451 ( -2.057 -6.365 -8.439) 10.768 8.813 ( 2.122 -12.061 2.825) 12.567 9.270 ( -1.364 11.809 3.996) 12.541 9.912 ( -21.259 3.039 1.025) 21.500 10.976 ( -8.403 2.485 1.204) 8.845 11.192 ( -11.195 -4.516 7.570) 14.248 11.935 ( 12.927 -3.078 -1.670) 13.393 12.086 ( 10.166 -5.215 0.303) 11.430 12.615 ( -1.669 0.977 -2.625) 3.261 13.187 ( 11.120 0.614 -2.071) 11.328 13.338 ( 1.555 6.536 -4.524) 8.100 13.700 ( 6.241 -6.765 1.967) 9.412 14.905 ( -3.409 4.713 1.462) 5.997 15.493 ( -3.858 1.963 -0.367) 4.344 17.884 ( 13.476 -1.997 -2.865) 13.921 18.765 ( 4.751 6.218 8.001) 11.192 19.173 ( -1.748 -4.384 -4.554) 6.559 19.645 ( -4.972 -0.951 0.347) 5.074 23.269 ( -2.577 0.497 -1.744) 3.151 23.893 ( -5.223 0.529 0.946) 5.334 ======================= Grid point 252 (144/294) ======================= q-point: (-0.50 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.235 ( -14.929 0.705 -1.072) 14.984 3.561 ( -12.654 -13.459 13.332) 22.782 3.861 ( 0.947 7.797 4.000) 8.814 4.812 ( 7.728 0.697 -2.864) 8.271 5.322 ( -3.603 -0.628 2.777) 4.592 5.722 ( 0.444 1.485 -0.395) 1.599 6.078 ( 12.340 -0.235 -6.516) 13.957 6.378 ( 4.703 0.150 5.544) 7.272 6.826 ( 7.510 -1.325 -5.813) 9.589 7.753 ( 1.412 -1.622 -6.842) 7.172 8.287 ( -4.443 -2.970 -6.727) 8.592 8.796 ( 3.221 -9.099 6.345) 11.551 9.201 ( -15.034 3.802 -4.746) 16.217 9.776 ( -7.597 6.107 14.348) 17.346 10.782 ( -11.421 -5.474 3.345) 13.099 11.068 ( -10.924 4.212 7.494) 13.901 12.039 ( 4.875 -2.316 -2.875) 6.115 12.221 ( 11.360 -4.993 0.332) 12.414 12.627 ( 3.674 1.685 -3.019) 5.045 13.324 ( 3.136 2.554 -4.407) 5.981 13.438 ( 13.179 2.477 -7.048) 15.149 13.781 ( 6.909 -1.908 -0.348) 7.176 14.810 ( -9.635 -2.012 0.368) 9.850 15.458 ( -2.801 1.078 0.560) 3.053 18.077 ( 14.832 0.743 -7.581) 16.673 18.844 ( 0.839 -2.707 -0.480) 2.874 19.138 ( -1.544 3.064 0.088) 3.432 19.559 ( -4.750 -3.053 4.295) 7.094 23.243 ( -1.150 2.065 0.018) 2.364 23.841 ( -4.547 2.406 3.877) 6.441 ======================= Grid point 253 (145/294) ======================= q-point: (-0.42 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( -9.443 -7.803 1.447) 12.335 3.312 ( -11.592 -15.934 12.759) 23.475 4.000 ( -0.214 14.298 5.036) 15.160 4.949 ( 8.280 0.545 -0.741) 8.331 5.283 ( -2.877 1.811 2.795) 4.401 5.726 ( 0.321 -0.160 -1.988) 2.020 6.180 ( 6.912 -3.978 -8.530) 11.677 6.498 ( 2.507 4.406 5.712) 7.637 6.859 ( 3.856 -1.355 -9.786) 10.605 7.706 ( 4.450 -7.210 -9.034) 12.385 8.243 ( 0.739 7.020 -2.765) 7.581 8.686 ( -12.221 -0.818 -4.632) 13.095 9.082 ( 2.542 -5.288 9.318) 11.012 9.764 ( -8.509 -2.300 12.094) 14.965 10.654 ( -5.779 3.010 6.757) 9.387 11.000 ( -7.959 5.450 7.508) 12.223 12.056 ( 2.225 -0.841 -3.006) 3.833 12.326 ( 5.643 -1.916 -0.673) 5.998 12.704 ( 5.678 -0.057 -1.935) 5.999 13.338 ( -0.334 3.900 -8.368) 9.238 13.630 ( 12.954 -1.849 -6.989) 14.835 13.874 ( 7.352 -0.098 -1.299) 7.466 14.594 ( -12.056 -5.141 -0.859) 13.135 15.418 ( -1.715 -2.941 1.569) 3.749 18.272 ( 14.155 2.614 -11.957) 18.712 18.771 ( -4.579 -2.663 -5.801) 7.856 19.133 ( -3.111 2.593 2.696) 4.865 19.494 ( -2.564 -5.454 7.170) 9.366 23.274 ( 0.749 3.979 1.991) 4.512 23.841 ( -3.088 4.500 6.095) 8.182 ======================= Grid point 254 (146/294) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( 2.522 -14.160 3.971) 14.921 3.049 ( -7.343 -19.884 7.561) 22.505 4.165 ( -1.703 16.895 5.590) 17.877 5.022 ( 0.834 -0.009 -1.123) 1.399 5.315 ( 2.526 0.719 0.997) 2.809 5.720 ( -0.903 1.589 0.186) 1.837 6.109 ( -1.096 -7.917 -9.809) 12.653 6.566 ( -4.928 6.695 2.866) 8.793 6.814 ( 0.853 -1.602 -11.757) 11.896 7.711 ( 10.844 -5.413 -6.664) 13.831 8.356 ( 0.326 10.360 -4.715) 11.388 8.513 ( -0.324 0.565 -2.086) 2.186 9.160 ( 2.156 -3.266 9.812) 10.564 9.658 ( -4.517 -7.537 12.070) 14.930 10.677 ( -3.410 4.793 6.439) 8.721 11.041 ( -1.229 9.988 9.351) 13.737 12.071 ( 1.636 2.026 -4.268) 5.000 12.365 ( 1.212 -0.485 -0.764) 1.512 12.760 ( 2.372 -0.666 -1.734) 3.013 13.266 ( -4.493 1.293 -9.710) 10.777 13.696 ( 2.509 0.234 -9.219) 9.558 14.014 ( 9.964 -5.863 4.304) 12.336 14.341 ( -8.941 -5.382 -5.816) 11.947 15.384 ( 1.336 -6.188 3.743) 7.354 18.394 ( 4.337 2.077 -15.838) 16.552 18.580 ( -7.952 -0.391 -9.882) 12.690 19.142 ( -0.975 -1.174 9.213) 9.339 19.475 ( 1.611 -3.831 6.004) 7.302 23.358 ( 1.869 5.499 3.098) 6.582 23.897 ( -1.119 5.932 7.098) 9.318 ======================= Grid point 255 (147/294) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 2.233 -20.295 1.454) 20.469 2.861 ( 13.165 -20.151 4.698) 24.524 4.315 ( -3.160 16.830 3.986) 17.582 4.984 ( -2.505 -3.147 -2.252) 4.610 5.338 ( 3.319 -3.294 -3.272) 5.708 5.676 ( -6.891 -3.431 0.389) 7.708 5.969 ( -2.263 0.130 -6.812) 7.179 6.500 ( -10.576 6.860 -0.396) 12.612 6.741 ( -0.092 -0.284 -9.961) 9.966 7.878 ( 14.949 0.350 -2.302) 15.129 8.279 ( -4.739 -4.738 -6.757) 9.516 8.702 ( 11.223 10.205 0.290) 15.172 9.219 ( 1.756 3.423 4.196) 5.693 9.673 ( 3.443 -6.261 15.320) 16.904 10.686 ( -1.809 -0.072 5.059) 5.373 11.237 ( 2.889 14.453 9.652) 17.618 12.093 ( 0.806 4.964 -6.034) 7.855 12.341 ( -3.650 0.507 -1.419) 3.949 12.721 ( -3.574 -2.288 -4.324) 6.059 13.150 ( -2.314 -2.152 -5.690) 6.508 13.613 ( -6.449 0.618 -9.717) 11.679 13.948 ( -12.105 -7.252 5.681) 15.212 14.305 ( 14.742 -7.600 -6.668) 17.876 15.404 ( 4.848 -6.305 6.097) 10.022 18.131 ( -16.118 -0.885 -21.099) 26.566 18.514 ( -2.698 -2.458 1.448) 3.927 19.199 ( 4.831 0.858 2.624) 5.564 19.560 ( 5.966 -0.173 6.275) 8.660 23.459 ( 1.374 5.865 2.829) 6.655 23.993 ( 0.499 6.257 6.769) 9.231 ======================= Grid point 256 (148/294) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 13.080 -17.423 -3.757) 22.108 3.000 ( 22.950 -21.519 5.226) 31.892 4.414 ( -4.081 14.394 -0.241) 14.963 4.843 ( -1.163 -13.771 -7.072) 15.524 5.371 ( 2.284 0.029 1.330) 2.644 5.475 ( -9.797 -1.965 -2.284) 10.250 5.923 ( -3.125 2.506 -4.128) 5.752 6.394 ( -9.343 6.328 -0.009) 11.285 6.702 ( -0.018 3.636 -6.744) 7.662 8.032 ( -6.663 -6.213 -4.523) 10.172 8.143 ( 10.178 -2.233 -1.516) 10.530 8.982 ( 10.135 11.346 -1.500) 15.287 9.343 ( 7.480 4.129 -1.489) 8.673 9.804 ( 6.251 -2.804 13.478) 15.120 10.709 ( 2.156 -1.260 6.772) 7.218 11.483 ( 3.801 14.356 7.480) 16.628 12.112 ( -0.314 6.470 -7.358) 9.803 12.241 ( -9.182 4.019 -2.193) 10.260 12.581 ( -3.659 -6.682 -5.563) 9.434 13.060 ( -3.285 -6.173 -2.166) 7.320 13.409 ( -10.439 -1.118 -5.104) 11.674 13.741 ( -9.698 -1.915 0.917) 9.928 14.426 ( 12.947 -11.102 -1.986) 17.170 15.489 ( 6.287 -3.836 6.500) 9.823 17.739 ( -15.098 -0.280 -18.511) 23.889 18.391 ( -9.879 -8.533 10.339) 16.652 19.352 ( 10.103 6.490 -5.453) 13.188 19.706 ( 6.203 1.454 5.596) 8.480 23.532 ( -0.499 4.845 1.693) 5.156 24.098 ( 1.093 5.468 4.952) 7.458 ======================= Grid point 257 (149/294) ======================= q-point: (-0.08 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.871 ( 23.267 -10.889 -9.776) 27.486 3.264 ( 28.687 -19.466 8.263) 35.639 4.452 ( -0.703 4.818 -4.598) 6.697 4.656 ( -0.284 -11.351 -6.757) 13.213 5.227 ( -9.633 -2.826 -3.815) 10.740 5.499 ( -2.118 8.695 6.195) 10.885 5.865 ( -1.188 -2.148 -0.596) 2.526 6.325 ( -5.339 5.349 -1.386) 7.684 6.724 ( -0.532 6.932 -2.786) 7.490 7.751 ( -9.654 -12.313 -4.663) 16.327 8.274 ( 5.088 0.161 -1.263) 5.245 9.167 ( 0.346 11.365 -3.650) 11.942 9.504 ( 14.161 -2.293 -7.734) 16.298 9.950 ( 5.639 0.086 6.375) 8.511 10.837 ( 7.378 0.808 10.540) 12.891 11.685 ( 1.782 8.604 3.353) 9.404 12.051 ( -8.143 3.738 -7.691) 11.808 12.196 ( -2.454 12.079 0.230) 12.328 12.432 ( -2.941 -7.794 -2.766) 8.778 12.888 ( -6.285 -7.594 -1.789) 10.019 13.257 ( -5.836 -0.339 -1.016) 5.933 13.606 ( -7.249 -0.539 2.703) 7.755 14.484 ( 8.410 -11.483 -0.501) 14.242 15.589 ( 4.504 -1.275 3.571) 5.888 17.467 ( -8.418 2.579 -9.974) 13.304 18.194 ( -11.026 -10.512 12.410) 19.649 19.543 ( 9.199 6.897 -6.515) 13.215 19.836 ( 4.536 2.259 1.866) 5.400 23.548 ( -2.788 3.102 0.487) 4.199 24.182 ( 1.120 3.947 1.986) 4.558 ======================= Grid point 260 (150/294) ======================= q-point: ( 0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.205 ( 23.553 -4.673 -14.874) 28.245 3.234 ( 26.721 -16.238 -15.524) 34.909 4.374 ( -7.877 -2.763 5.748) 10.135 4.721 ( 9.984 -5.568 6.006) 12.914 5.218 ( 0.513 12.885 3.180) 13.282 5.517 ( -5.911 -7.136 5.612) 10.833 5.891 ( 2.910 -1.852 1.402) 3.724 6.287 ( -2.032 1.355 4.000) 4.687 6.610 ( -9.139 -1.817 -3.329) 9.895 7.687 ( 7.792 7.439 11.252) 15.578 8.268 ( 5.587 0.773 -6.623) 8.700 8.971 ( -9.463 4.249 -12.236) 16.041 9.359 ( 1.086 -5.717 -3.369) 6.725 10.220 ( 13.194 -1.727 -11.658) 17.691 10.933 ( -0.787 -2.905 -7.726) 8.291 11.576 ( -11.396 4.701 -7.675) 14.521 11.762 ( -0.841 1.588 12.065) 12.198 12.187 ( -8.462 -4.800 7.518) 12.295 12.563 ( 2.691 -1.152 -0.295) 2.942 13.045 ( -0.636 3.518 1.447) 3.857 13.277 ( -3.349 -2.418 6.536) 7.731 13.749 ( 1.974 2.264 14.347) 14.658 14.319 ( 9.703 -0.081 -5.513) 11.160 15.620 ( 1.680 0.589 -3.996) 4.374 17.507 ( -3.509 -7.281 9.995) 12.854 18.248 ( -1.225 15.865 11.583) 19.682 19.547 ( -0.283 -11.928 -12.642) 17.384 19.774 ( 1.926 2.235 -3.270) 4.404 23.505 ( -4.349 2.010 0.210) 4.796 24.193 ( -2.226 0.777 -3.930) 4.583 ======================= Grid point 261 (151/294) ======================= q-point: ( 0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( 18.306 -13.770 -11.435) 25.602 3.589 ( 19.291 6.287 -11.382) 23.264 4.173 ( -10.360 -0.135 -1.261) 10.437 4.834 ( -0.375 -4.770 7.601) 8.981 5.301 ( -0.992 -1.674 7.502) 7.751 5.482 ( 4.000 1.100 -0.050) 4.148 5.904 ( 0.230 0.217 -1.437) 1.471 6.271 ( -3.398 -3.038 1.995) 4.976 6.492 ( -3.312 -0.026 5.185) 6.153 7.899 ( 3.167 2.097 8.667) 9.462 8.352 ( 6.866 3.764 -8.744) 11.738 8.833 ( -5.414 5.125 -3.543) 8.254 9.287 ( -1.656 -4.157 -3.008) 5.392 10.320 ( 11.367 -3.474 -12.510) 17.257 10.921 ( 4.264 2.405 -5.820) 7.605 11.425 ( -8.241 8.359 -7.831) 14.111 11.812 ( -2.945 -0.271 10.301) 10.717 12.031 ( -9.179 -5.501 6.441) 12.490 12.612 ( 4.311 -2.153 1.847) 5.161 13.076 ( 1.390 -2.217 2.896) 3.903 13.200 ( -5.428 -1.401 4.229) 7.022 13.775 ( -2.726 -6.835 5.020) 8.908 14.543 ( 12.339 9.082 0.455) 15.328 15.621 ( 0.153 0.214 -2.510) 2.524 17.476 ( 2.318 -8.235 8.017) 11.724 18.449 ( 0.252 14.476 8.888) 16.988 19.358 ( -0.443 -11.329 -9.727) 14.938 19.792 ( -0.426 2.675 -2.693) 3.820 23.450 ( -4.492 1.394 -0.151) 4.706 24.128 ( -3.680 0.912 -3.912) 5.448 ======================= Grid point 262 (152/294) ======================= q-point: ( 0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.409 ( 14.576 -5.450 -6.463) 16.850 3.740 ( -4.397 9.188 0.203) 10.188 4.133 ( 4.734 3.135 -6.769) 8.835 4.718 ( -8.285 -5.460 2.517) 10.237 5.310 ( 1.579 -7.549 8.846) 11.736 5.581 ( 6.728 0.657 -3.218) 7.487 5.904 ( -2.852 6.439 -2.489) 7.470 6.191 ( -0.365 -4.860 0.554) 4.905 6.517 ( 0.992 -1.142 6.565) 6.737 7.921 ( -3.324 -1.723 2.253) 4.370 8.386 ( 3.644 -2.887 -8.673) 9.840 8.839 ( -1.954 -0.001 2.124) 2.885 9.259 ( -0.466 8.455 3.661) 9.226 10.359 ( 2.014 0.627 -10.412) 10.624 11.007 ( 4.960 5.782 -3.973) 8.591 11.374 ( -2.809 4.944 -4.503) 7.253 11.760 ( -5.331 -6.746 8.243) 11.912 11.922 ( -2.634 -0.901 1.942) 3.394 12.663 ( 2.375 -1.303 -0.020) 2.709 13.040 ( -1.916 -6.762 6.087) 9.297 13.218 ( 3.928 3.203 1.012) 5.168 13.654 ( -3.080 -9.327 -0.567) 9.839 14.809 ( 8.836 7.108 1.764) 11.477 15.596 ( -1.884 -0.186 -0.978) 2.131 17.526 ( 7.499 -6.602 4.854) 11.108 18.611 ( 3.870 4.769 2.574) 6.659 19.229 ( -1.803 -3.534 -2.331) 4.601 19.777 ( -2.648 2.684 -2.440) 4.491 23.386 ( -4.515 1.044 -0.317) 4.645 24.053 ( -4.421 1.692 -2.539) 5.372 ======================= Grid point 263 (153/294) ======================= q-point: ( 0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.528 ( 4.536 1.107 -2.584) 5.336 3.755 ( -5.374 10.652 3.876) 12.545 4.092 ( -10.456 -2.212 1.789) 10.836 4.634 ( 3.268 0.555 -4.778) 5.815 5.309 ( 1.998 -8.699 6.013) 10.762 5.672 ( 9.197 -4.024 -2.090) 10.254 5.876 ( -6.466 7.986 -4.862) 11.368 6.210 ( 4.789 -2.115 3.744) 6.436 6.575 ( 5.526 -1.224 -0.443) 5.678 7.835 ( -5.007 -0.826 -2.253) 5.553 8.359 ( 2.391 -5.774 -1.611) 6.454 8.732 ( -4.219 -7.777 0.757) 8.880 9.447 ( 0.220 16.566 5.703) 17.521 10.237 ( -13.409 3.801 -3.065) 14.270 11.121 ( -1.004 8.263 -3.746) 9.128 11.288 ( -4.067 -5.859 3.041) 7.754 11.732 ( 5.358 -3.811 2.451) 7.017 11.927 ( 3.744 -2.058 -0.729) 4.334 12.649 ( -2.028 0.263 -2.090) 2.924 13.042 ( 4.943 -2.299 1.802) 5.742 13.333 ( 3.893 3.468 -0.502) 5.238 13.545 ( 3.094 -9.447 -0.621) 9.961 14.944 ( 2.185 0.380 -0.004) 2.218 15.555 ( -2.826 0.426 0.508) 2.903 17.643 ( 11.055 -4.322 0.168) 11.871 18.684 ( 7.427 -7.426 -3.651) 11.119 19.213 ( -3.573 6.633 4.732) 8.896 19.729 ( -4.564 2.144 -1.519) 5.267 23.327 ( -3.868 1.346 0.118) 4.097 23.995 ( -4.511 3.295 -0.053) 5.587 ======================= Grid point 264 (154/294) ======================= q-point: (-0.50 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.483 ( -13.327 2.645 -2.902) 13.894 3.688 ( -10.166 -5.933 3.578) 12.302 4.002 ( -2.627 6.956 11.648) 13.819 4.715 ( 5.565 5.876 -5.644) 9.867 5.292 ( 3.171 -8.124 1.239) 8.808 5.751 ( 1.277 -1.193 -3.193) 3.640 5.841 ( 5.454 -0.815 -2.336) 5.989 6.330 ( 6.806 2.016 4.102) 8.198 6.658 ( 7.276 0.581 -6.814) 9.985 7.722 ( -4.195 -3.048 -5.178) 7.328 8.331 ( -3.238 1.542 1.634) 3.941 8.666 ( 3.959 -8.845 6.599) 11.725 9.471 ( -13.819 8.645 -8.316) 18.299 10.078 ( -12.228 5.651 11.637) 17.801 10.958 ( -13.371 -3.107 2.902) 14.031 11.300 ( -3.848 6.004 3.556) 7.969 11.862 ( 12.569 -1.951 -2.540) 12.971 11.981 ( 7.914 -5.772 -0.422) 9.804 12.616 ( -1.034 2.758 -3.127) 4.296 13.156 ( 10.477 -1.159 -2.594) 10.855 13.349 ( -0.039 1.692 -5.895) 6.133 13.618 ( 10.418 -4.131 2.085) 11.399 14.887 ( -4.747 -5.982 -1.443) 7.772 15.516 ( -3.377 -0.341 1.374) 3.662 17.797 ( 13.562 -1.865 -5.779) 14.859 18.698 ( 8.037 -10.817 -2.721) 13.748 19.252 ( -4.856 9.004 3.246) 10.733 19.655 ( -5.833 0.456 1.343) 6.004 23.297 ( -2.240 2.426 1.194) 3.512 23.972 ( -4.258 5.233 2.674) 7.258 ======================= Grid point 265 (155/294) ======================= q-point: (-0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( -18.812 -5.777 -5.074) 20.323 3.447 ( -13.994 -16.322 12.926) 25.086 4.170 ( 1.401 15.006 6.217) 16.303 4.840 ( 6.291 4.879 -2.655) 8.393 5.277 ( 2.875 -4.679 -3.050) 6.282 5.713 ( 0.144 0.287 -2.929) 2.946 5.939 ( 9.087 -6.973 -2.312) 11.685 6.502 ( 7.532 4.568 2.591) 9.182 6.719 ( 4.706 2.106 -10.055) 11.300 7.585 ( -2.745 -6.307 -5.333) 8.703 8.344 ( -3.007 10.920 3.313) 11.801 8.724 ( 3.758 -6.703 4.893) 9.110 9.179 ( -15.583 1.498 -5.966) 16.753 9.990 ( -12.876 -1.565 10.480) 16.675 10.822 ( -6.106 3.158 7.738) 10.350 11.274 ( -10.319 8.721 6.966) 15.200 11.977 ( 4.820 0.393 -4.460) 6.578 12.111 ( 14.906 -6.245 -1.132) 16.201 12.633 ( 1.997 2.495 -2.770) 4.229 13.288 ( 7.636 0.071 -5.991) 9.706 13.361 ( 7.109 -0.416 -7.442) 10.300 13.753 ( 7.747 -1.267 0.319) 7.857 14.691 ( -8.805 -9.330 -1.524) 12.919 15.445 ( -4.296 -3.725 2.216) 6.102 17.971 ( 15.202 0.740 -11.952) 19.353 18.714 ( 5.123 -7.893 0.037) 9.410 19.242 ( -6.045 6.943 -1.127) 9.275 19.570 ( -6.118 -2.675 5.857) 8.882 23.320 ( 0.006 4.022 2.483) 4.727 23.986 ( -3.693 6.674 4.611) 8.913 ======================= Grid point 266 (156/294) ======================= q-point: (-0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( -10.925 -13.584 -2.138) 17.563 3.090 ( -15.425 -23.045 10.496) 29.650 4.363 ( 0.885 14.278 5.593) 15.360 4.936 ( 4.870 -2.177 -4.268) 6.832 5.248 ( 2.114 -3.270 -7.797) 8.715 5.764 ( 1.825 5.896 2.918) 6.827 5.939 ( 4.382 -10.008 -5.076) 12.047 6.646 ( 6.034 1.669 -6.483) 9.012 6.733 ( -1.204 6.791 -6.613) 9.555 7.490 ( 3.334 -7.114 -3.005) 8.412 8.484 ( 0.056 16.795 4.845) 17.480 8.588 ( -10.997 -1.008 -7.558) 13.382 9.111 ( 4.569 -4.377 9.020) 11.018 9.790 ( -11.515 -5.305 7.662) 14.814 10.849 ( -4.901 5.979 7.654) 10.879 11.272 ( -6.582 11.920 10.397) 17.132 12.021 ( 3.380 2.009 -5.283) 6.585 12.261 ( 9.607 -3.488 -1.600) 10.345 12.680 ( 3.672 -0.016 -2.289) 4.327 13.291 ( -2.367 3.237 -10.161) 10.924 13.478 ( 13.507 -4.624 -7.018) 15.909 13.845 ( 6.012 -2.015 -0.447) 6.356 14.429 ( -10.785 -10.336 -1.863) 15.054 15.353 ( -2.625 -7.054 4.866) 8.963 18.148 ( 14.367 3.310 -16.509) 22.134 18.667 ( -5.327 -1.136 -5.068) 7.440 19.214 ( -2.350 1.093 4.955) 5.592 19.485 ( -4.253 -4.839 7.436) 9.839 23.398 ( 1.804 5.331 3.255) 6.501 24.029 ( -2.577 7.140 5.247) 9.228 ======================= Grid point 267 (157/294) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 1.957 -21.127 0.062) 21.217 2.687 ( -10.059 -27.843 6.714) 30.356 4.523 ( -0.092 10.446 4.846) 11.515 4.849 ( 0.775 -15.845 -12.196) 20.010 5.235 ( 3.847 1.578 -5.037) 6.532 5.753 ( -5.582 -5.533 1.047) 7.929 5.970 ( 2.533 7.625 -2.280) 8.352 6.635 ( 2.359 0.842 -15.365) 15.568 6.725 ( -7.043 8.214 -1.748) 10.961 7.564 ( 15.152 -5.731 -1.526) 16.271 8.340 ( -10.489 -2.537 -6.271) 12.481 8.729 ( 3.592 16.438 7.039) 18.239 9.208 ( 4.783 -2.155 5.155) 7.354 9.700 ( -1.793 -0.838 10.666) 10.848 10.828 ( -7.677 4.577 5.448) 10.468 11.414 ( -0.214 13.998 11.342) 18.017 12.061 ( 2.989 3.519 -7.479) 8.789 12.335 ( 3.468 -1.314 -0.620) 3.760 12.687 ( 0.169 -3.222 -5.066) 6.006 13.183 ( -5.703 1.692 -6.690) 8.952 13.568 ( 5.840 -1.746 -9.843) 11.578 13.927 ( 9.689 -7.948 2.856) 12.853 14.139 ( -10.906 -8.858 -4.404) 14.725 15.316 ( 2.315 -8.121 8.784) 12.184 18.210 ( -3.308 3.850 -19.634) 20.280 18.524 ( -3.019 3.908 -7.893) 9.310 19.216 ( -2.888 -4.659 12.122) 13.304 19.487 ( 4.930 -2.462 5.889) 8.065 23.502 ( 2.004 5.590 2.987) 6.648 24.095 ( -1.037 6.624 4.713) 8.196 ======================= Grid point 268 (158/294) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 3.438 -27.534 0.946) 27.764 2.480 ( 16.012 -26.508 3.590) 31.176 4.460 ( 2.197 -26.855 -14.685) 30.686 4.710 ( -4.229 8.772 0.488) 9.750 5.334 ( 4.936 4.188 -0.098) 6.474 5.607 ( -7.417 -1.508 1.821) 7.785 5.988 ( -4.635 6.446 -8.255) 11.454 6.616 ( -7.338 4.746 0.635) 8.762 6.649 ( 1.075 6.255 -13.057) 14.517 7.810 ( 19.935 -4.369 -4.822) 20.970 8.102 ( -9.340 -7.367 -1.251) 11.961 8.964 ( 4.343 10.641 5.337) 12.672 9.298 ( 4.234 2.650 -0.046) 4.995 9.811 ( 3.135 4.665 11.072) 12.417 10.797 ( -4.895 5.145 6.515) 9.637 11.615 ( 1.432 12.611 8.200) 15.111 12.079 ( 2.301 2.070 -10.680) 11.120 12.357 ( -1.178 3.019 0.554) 3.288 12.549 ( -5.348 -5.895 -7.489) 10.929 13.089 ( -5.013 -0.853 -0.753) 5.140 13.494 ( -5.363 -1.657 -7.828) 9.633 13.865 ( -9.408 -6.250 1.549) 11.401 14.072 ( 15.296 -10.438 -2.989) 18.758 15.385 ( 6.653 -6.268 10.958) 14.270 17.915 ( -17.749 4.760 -18.772) 26.269 18.511 ( -3.872 -1.292 2.753) 4.923 19.238 ( 5.029 0.215 2.265) 5.520 19.629 ( 8.164 -0.487 5.989) 10.136 23.587 ( 0.463 4.729 1.844) 5.097 24.168 ( -0.113 5.181 3.215) 6.098 ======================= Grid point 269 (159/294) ======================= q-point: (-0.08 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 19.120 -21.033 -6.824) 29.233 2.637 ( 29.020 -25.533 8.375) 39.551 4.145 ( 9.341 -34.717 -16.314) 39.480 4.728 ( -6.881 11.797 0.492) 13.666 5.327 ( -6.805 -1.347 -1.094) 7.022 5.629 ( 1.535 9.163 6.289) 11.219 5.894 ( -4.442 2.204 -8.546) 9.880 6.488 ( -10.189 4.646 -1.698) 11.326 6.730 ( 4.404 7.524 -5.813) 10.478 7.752 ( -7.661 -12.058 -7.559) 16.162 8.129 ( 11.044 -2.278 2.283) 11.505 9.128 ( 8.455 1.393 -0.757) 8.602 9.367 ( 0.396 4.464 -3.361) 5.602 9.959 ( 1.413 6.783 4.829) 8.445 10.872 ( 0.859 6.847 10.018) 12.165 11.761 ( -0.130 6.349 3.075) 7.056 12.037 ( 1.079 -1.454 -12.483) 12.614 12.316 ( -5.020 3.064 -5.788) 8.252 12.467 ( -0.882 4.575 5.349) 7.094 12.948 ( -8.286 -5.136 0.430) 9.758 13.338 ( -6.681 -1.659 -3.148) 7.570 13.714 ( -5.903 -2.989 2.666) 7.134 14.192 ( 13.207 -11.102 -2.085) 17.379 15.513 ( 6.320 -3.156 8.030) 10.695 17.620 ( -12.624 7.712 -11.048) 18.464 18.372 ( -11.938 -8.126 11.907) 18.717 19.399 ( 10.927 5.450 -5.530) 13.405 19.773 ( 6.059 0.399 1.797) 6.333 23.620 ( -1.951 3.324 0.603) 3.901 24.218 ( -0.128 3.103 0.983) 3.257 ======================= Grid point 272 (160/294) ======================= q-point: ( 0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 28.637 -19.285 -13.513) 37.076 2.628 ( 35.002 0.531 -12.027) 37.014 4.144 ( 34.834 -12.632 17.959) 41.177 4.756 ( -14.958 0.315 -3.170) 15.293 5.327 ( 1.023 9.471 0.894) 9.568 5.609 ( -10.493 -6.379 3.509) 12.771 5.848 ( 2.593 -0.864 3.687) 4.589 6.422 ( -6.742 4.102 8.922) 11.912 6.696 ( -7.247 -2.064 -6.655) 10.053 7.668 ( 11.127 6.083 10.958) 16.759 8.152 ( 3.389 -1.909 -6.118) 7.249 9.079 ( -6.008 1.561 -6.706) 9.138 9.307 ( 1.552 1.050 -1.285) 2.273 10.005 ( 1.794 1.120 -9.697) 9.925 10.932 ( -5.957 0.703 -8.102) 10.081 11.738 ( -7.912 4.115 -4.934) 10.192 11.860 ( 0.250 1.235 12.619) 12.682 12.304 ( -5.615 -4.042 6.960) 9.814 12.517 ( -0.191 0.087 -4.678) 4.683 13.073 ( -1.529 -3.397 1.293) 3.944 13.350 ( -1.740 -0.658 7.302) 7.535 13.789 ( 2.731 -0.656 8.814) 9.251 14.101 ( 13.003 0.093 -4.840) 13.875 15.555 ( 3.479 1.192 -6.603) 7.558 17.624 ( -11.526 -7.182 11.265) 17.645 18.463 ( -0.547 11.967 8.125) 14.475 19.362 ( 0.408 -9.904 -11.297) 15.029 19.730 ( 4.278 3.684 -3.995) 6.916 23.600 ( -4.495 1.945 0.453) 4.918 24.214 ( -1.718 1.044 -2.193) 2.975 ======================= Grid point 273 (161/294) ======================= q-point: ( 0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 25.030 -7.422 -6.208) 26.836 3.158 ( 31.774 8.570 -11.229) 34.773 4.392 ( -10.651 -0.268 2.773) 11.009 4.686 ( 14.550 -7.265 8.706) 18.446 5.378 ( -1.466 -10.455 3.147) 11.017 5.448 ( -5.523 8.487 -1.800) 10.285 5.886 ( 1.606 -0.494 0.216) 1.694 6.359 ( -8.105 -2.886 4.621) 9.766 6.592 ( -3.947 3.455 2.785) 5.939 7.881 ( 5.145 -5.266 10.623) 12.925 8.220 ( 7.453 4.834 -7.826) 11.839 8.983 ( -6.994 8.037 -1.566) 10.769 9.315 ( -1.621 2.425 1.710) 3.382 10.033 ( 9.288 -1.517 -11.090) 14.545 10.852 ( 0.896 3.813 -8.806) 9.637 11.609 ( -9.323 7.582 -6.345) 13.589 11.944 ( -2.671 2.313 11.324) 11.863 12.174 ( -9.986 -4.605 5.588) 12.335 12.518 ( 4.109 -3.774 0.277) 5.586 13.031 ( 0.894 -6.147 1.175) 6.322 13.300 ( -5.034 -3.581 5.623) 8.354 13.764 ( -2.330 -7.201 -0.338) 7.576 14.391 ( 16.039 6.739 1.589) 17.469 15.588 ( 2.529 1.385 -3.825) 4.790 17.477 ( -5.319 -7.620 9.501) 13.290 18.533 ( 1.108 -1.229 -3.583) 3.947 19.282 ( -1.157 2.017 0.139) 2.329 19.792 ( 1.848 3.532 -3.126) 5.066 23.542 ( -4.846 1.248 0.449) 5.024 24.171 ( -2.936 1.553 -3.101) 4.544 ======================= Grid point 274 (162/294) ======================= q-point: ( 0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( 19.591 3.405 -0.400) 19.889 3.645 ( 23.333 11.743 -8.289) 27.406 4.216 ( -11.784 5.120 0.970) 12.885 4.793 ( -1.613 -7.307 5.160) 9.090 5.269 ( -0.346 -10.014 8.064) 12.862 5.458 ( 2.147 0.305 -6.563) 6.912 5.922 ( 3.439 2.000 -2.671) 4.792 6.222 ( -6.260 -1.628 0.421) 6.481 6.588 ( -4.477 1.505 5.175) 7.006 7.910 ( 2.343 -9.617 5.866) 11.506 8.285 ( 1.565 1.302 -6.131) 6.460 8.950 ( -7.627 3.839 3.393) 9.188 9.399 ( 1.169 13.829 7.409) 15.732 10.141 ( 13.066 0.132 -11.023) 17.095 10.921 ( 6.882 5.204 -6.797) 10.984 11.512 ( -7.951 10.314 -7.263) 14.912 11.898 ( -11.303 -4.900 8.041) 14.711 12.013 ( -6.936 -0.430 2.680) 7.449 12.569 ( 5.769 -4.698 1.745) 7.642 13.008 ( 2.437 -9.147 5.924) 11.167 13.228 ( -2.723 -1.465 2.165) 3.775 13.624 ( -4.364 -7.477 -3.500) 9.338 14.685 ( 12.874 2.881 1.003) 13.231 15.607 ( 0.212 1.094 -1.107) 1.571 17.430 ( 1.100 -6.467 7.359) 9.858 18.470 ( 5.068 -11.322 -10.235) 16.082 19.336 ( -3.559 10.603 7.396) 13.409 19.816 ( -0.641 3.404 -2.869) 4.497 23.474 ( -4.916 0.666 0.402) 4.977 24.120 ( -3.344 2.771 -2.789) 5.161 ======================= Grid point 275 (163/294) ======================= q-point: ( 0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.417 ( 12.198 8.928 1.093) 15.155 3.982 ( 2.162 12.131 4.654) 13.171 4.141 ( -1.436 6.070 -6.550) 9.045 4.637 ( -7.476 -5.004 0.533) 9.012 5.231 ( 0.401 -11.206 6.065) 12.749 5.475 ( 7.256 -3.806 -3.566) 8.936 5.971 ( 0.122 3.562 -5.481) 6.538 6.170 ( 0.078 0.723 2.054) 2.179 6.537 ( -2.537 -0.410 -0.775) 2.684 7.856 ( -1.329 -8.636 1.503) 8.866 8.287 ( 1.492 -0.093 2.025) 2.517 8.831 ( -10.304 -0.268 3.122) 10.770 9.627 ( 0.657 16.262 5.461) 17.167 10.295 ( 8.081 4.017 -5.860) 10.760 11.046 ( 7.403 3.705 -3.504) 8.989 11.438 ( -10.440 7.134 -4.436) 13.400 11.687 ( -5.049 -6.741 1.285) 8.520 11.940 ( -4.633 -0.493 1.982) 5.063 12.619 ( 3.588 -1.996 -1.062) 4.241 13.004 ( 0.650 -5.775 7.441) 9.442 13.250 ( 6.587 -2.331 2.132) 7.306 13.463 ( -4.096 -6.268 -4.489) 8.730 14.848 ( 7.098 -3.066 -1.255) 7.833 15.604 ( -1.736 1.124 0.986) 2.291 17.468 ( 5.937 -5.148 3.426) 8.573 18.400 ( 8.747 -13.880 -9.105) 18.763 19.422 ( -5.121 11.948 7.816) 15.168 19.802 ( -2.861 3.085 -2.592) 4.942 23.407 ( -4.273 0.653 0.632) 4.369 24.090 ( -3.060 4.543 -1.182) 5.604 ======================= Grid point 276 (164/294) ======================= q-point: (-0.50 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.630 ( 0.128 7.771 2.486) 8.160 3.880 ( -16.309 1.399 -6.324) 17.549 4.178 ( -4.322 1.859 13.159) 13.975 4.624 ( 8.123 6.655 -10.394) 14.775 5.163 ( 1.446 -9.372 2.072) 9.706 5.569 ( 9.359 -5.368 0.734) 10.814 5.895 ( -6.600 -0.013 -3.176) 7.324 6.249 ( 6.330 1.201 1.109) 6.538 6.544 ( 4.326 4.073 -6.718) 8.969 7.734 ( -4.153 -7.797 -0.483) 8.847 8.372 ( 3.924 1.357 8.467) 9.430 8.696 ( -8.700 1.516 4.321) 9.831 9.680 ( -8.599 8.077 -9.099) 14.899 10.358 ( -6.554 5.671 7.126) 11.220 11.191 ( -14.339 -0.396 0.844) 14.369 11.237 ( 11.706 1.286 -1.168) 11.834 11.707 ( 6.070 2.116 -2.942) 7.069 11.880 ( -1.328 -2.993 0.753) 3.360 12.634 ( 0.353 1.545 -2.994) 3.387 13.024 ( 3.162 -1.619 1.224) 3.758 13.337 ( -2.008 -2.379 -4.760) 5.688 13.404 ( 12.281 -5.061 5.423) 14.348 14.840 ( 0.278 -8.174 -2.816) 8.649 15.581 ( -3.401 0.241 2.210) 4.063 17.556 ( 9.465 -3.326 -2.914) 10.447 18.397 ( 11.561 -13.463 -3.724) 18.132 19.472 ( -6.900 11.054 4.266) 13.711 19.753 ( -4.559 1.939 -0.973) 5.049 23.366 ( -2.681 1.594 1.454) 3.441 24.092 ( -2.652 6.021 0.769) 6.624 ======================= Grid point 277 (165/294) ======================= q-point: (-0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.404 ( -23.010 -3.580 -8.892) 24.927 3.618 ( -14.886 -11.978 10.544) 21.823 4.278 ( 3.968 8.990 4.515) 10.815 4.754 ( 6.963 3.046 -9.707) 12.328 5.153 ( 2.841 -0.317 -2.135) 3.568 5.632 ( 5.393 -8.640 1.768) 10.337 5.814 ( 0.492 -1.912 0.140) 1.979 6.381 ( 8.071 1.574 -3.083) 8.782 6.643 ( 5.527 8.228 -7.386) 12.361 7.584 ( -5.359 -7.276 0.490) 9.050 8.509 ( 3.404 2.455 8.616) 9.584 8.662 ( -2.816 5.682 5.605) 8.463 9.427 ( -17.345 2.491 -12.966) 21.798 10.258 ( -14.581 -1.218 7.422) 16.406 11.002 ( -8.025 1.744 6.247) 10.318 11.470 ( 5.794 8.067 1.859) 10.104 11.804 ( 7.568 -1.448 -1.002) 7.770 11.881 ( 5.644 -2.145 -2.544) 6.552 12.636 ( -0.313 3.532 -3.516) 4.993 13.087 ( 7.268 -2.082 -3.202) 8.210 13.291 ( 1.183 0.395 -5.542) 5.680 13.593 ( 11.087 -3.616 5.017) 12.695 14.689 ( -4.986 -11.337 -2.872) 12.714 15.516 ( -5.683 -2.109 3.293) 6.898 17.676 ( 12.608 -0.571 -10.100) 16.165 18.475 ( 12.737 -11.804 2.705) 17.575 19.446 ( -9.486 10.458 -2.287) 14.304 19.683 ( -5.749 -0.690 3.530) 6.782 23.374 ( -0.494 3.197 2.615) 4.159 24.120 ( -2.434 6.593 2.036) 7.317 ======================= Grid point 278 (166/294) ======================= q-point: (-0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( -21.844 -11.459 -8.258) 26.013 3.227 ( -19.913 -22.914 10.082) 31.988 4.430 ( 3.423 1.764 1.558) 4.155 4.771 ( 5.290 -4.352 -13.012) 14.705 5.184 ( -0.632 5.207 -3.688) 6.412 5.697 ( 9.616 -5.851 2.876) 11.618 5.835 ( 2.034 1.371 1.268) 2.761 6.465 ( 6.619 -0.761 -10.225) 12.204 6.774 ( 3.741 10.553 -5.201) 12.346 7.445 ( -4.562 -6.698 2.398) 8.451 8.593 ( 1.666 -4.028 0.636) 4.405 8.759 ( -3.570 18.524 4.908) 19.492 9.139 ( -9.817 -1.124 -0.774) 9.911 10.004 ( -15.269 -3.694 3.958) 16.201 11.008 ( -2.704 4.943 7.009) 8.993 11.558 ( -6.715 10.601 7.888) 14.823 11.916 ( 8.070 -2.276 -5.062) 9.794 12.001 ( 13.366 -1.123 -1.891) 13.545 12.646 ( 0.197 2.482 -2.628) 3.620 13.177 ( 10.160 -2.279 -7.520) 12.844 13.293 ( 1.227 1.518 -5.303) 5.651 13.733 ( 6.882 -3.057 2.719) 8.006 14.454 ( -7.719 -13.023 -2.157) 15.292 15.408 ( -6.725 -4.635 6.035) 10.155 17.835 ( 15.313 3.121 -15.693) 22.147 18.592 ( 9.054 -8.275 4.881) 13.202 19.348 ( -9.526 8.469 -5.522) 13.891 19.597 ( -7.088 -3.484 8.343) 11.489 23.438 ( 1.455 4.578 3.386) 5.877 24.156 ( -2.174 6.232 2.196) 6.956 ======================= Grid point 279 (167/294) ======================= q-point: (-0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( -13.617 -19.981 -7.114) 25.204 2.708 ( -19.604 -30.831 9.647) 37.788 4.334 ( 3.584 -29.521 -13.833) 32.798 4.777 ( 1.687 9.065 -3.979) 10.043 5.209 ( 0.265 5.891 -1.412) 6.063 5.724 ( 1.728 -8.305 0.828) 8.523 6.005 ( 5.925 13.751 -0.374) 14.978 6.479 ( 5.299 -0.232 -13.477) 14.484 6.859 ( -1.400 8.980 -5.208) 10.475 7.363 ( 1.451 -7.368 3.235) 8.176 8.454 ( -9.576 -2.575 -7.488) 12.426 8.944 ( -2.199 18.993 9.126) 21.186 9.106 ( 5.020 -5.146 4.150) 8.300 9.839 ( -6.779 3.663 6.047) 9.795 11.027 ( -5.961 5.452 4.480) 9.238 11.623 ( -2.836 9.893 9.730) 14.163 11.968 ( 4.798 -0.029 -7.825) 9.179 12.197 ( 11.367 -0.350 -0.229) 11.375 12.643 ( -0.772 -0.289 -2.389) 2.528 13.233 ( 0.505 3.981 -10.834) 11.553 13.316 ( 8.889 -4.569 -4.334) 10.894 13.789 ( 3.249 -4.376 1.230) 5.587 14.188 ( -8.682 -12.679 -1.648) 15.455 15.315 ( -3.764 -6.465 11.035) 13.331 18.030 ( 14.679 7.348 -18.815) 24.970 18.605 ( -4.365 -0.024 -3.847) 5.819 19.285 ( -2.084 -0.115 4.808) 5.241 19.501 ( -5.842 -4.023 9.297) 11.693 23.536 ( 2.231 5.008 3.239) 6.368 24.191 ( -1.393 5.221 1.431) 5.590 ======================= Grid point 280 (168/294) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 1.543 -29.288 -3.241) 29.507 2.188 ( -11.252 -35.492 8.615) 38.216 3.910 ( 4.379 -45.548 -23.517) 51.447 4.907 ( -0.624 13.012 3.596) 13.514 5.299 ( 4.201 7.236 -1.166) 8.448 5.676 ( -1.551 -3.780 3.791) 5.574 6.098 ( -6.108 11.249 -14.340) 19.222 6.518 ( 7.076 3.399 -6.731) 10.341 6.829 ( -7.619 6.730 -4.082) 10.955 7.428 ( 14.632 -8.034 -0.790) 16.711 8.212 ( -11.786 -4.593 -1.865) 12.786 9.055 ( -0.753 -1.109 6.807) 6.938 9.241 ( 6.686 10.727 -1.631) 12.745 9.921 ( 0.354 11.360 8.815) 14.383 10.994 ( -7.018 6.732 4.672) 10.789 11.745 ( 0.974 6.997 5.643) 9.041 11.971 ( 2.399 -0.590 -9.328) 9.649 12.350 ( 5.841 2.831 1.478) 6.657 12.562 ( -5.328 -1.975 -3.635) 6.746 13.180 ( -5.788 2.732 -2.458) 6.856 13.393 ( 9.418 -3.879 -10.089) 14.336 13.793 ( 4.825 -7.347 -0.858) 8.831 13.939 ( -7.726 -9.896 0.936) 12.590 15.322 ( 2.479 -6.692 15.641) 17.192 18.109 ( -6.464 11.040 -19.989) 23.733 18.507 ( 0.404 4.070 -7.773) 8.783 19.260 ( -4.588 -7.243 13.556) 16.040 19.525 ( 6.514 -1.499 6.430) 9.275 23.628 ( 1.308 4.437 2.220) 5.131 24.225 ( -0.344 3.778 0.167) 3.797 ======================= Grid point 281 (169/294) ======================= q-point: (-0.08 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 6.996 -32.952 2.046) 33.748 1.982 ( 22.850 -32.372 6.559) 40.163 3.438 ( 12.480 -50.135 -23.358) 56.700 4.983 ( -7.697 11.868 3.455) 14.561 5.400 ( -1.003 3.987 -0.877) 4.204 5.698 ( 2.327 2.936 7.969) 8.805 5.934 ( -7.208 6.690 -20.291) 22.549 6.642 ( 2.530 6.807 -6.539) 9.772 6.729 ( -6.424 4.051 2.487) 7.991 7.569 ( 10.881 -10.518 -10.489) 18.413 8.048 ( -1.968 -2.546 8.700) 9.276 9.024 ( 0.834 -8.052 -0.964) 8.153 9.411 ( 1.636 11.586 -3.819) 12.308 10.080 ( -1.271 11.809 5.299) 13.006 11.023 ( -2.714 8.733 7.579) 11.877 11.788 ( 1.076 -4.649 -4.646) 6.660 11.960 ( -0.003 5.688 -4.349) 7.160 12.371 ( -4.596 0.687 -5.079) 6.884 12.544 ( 2.753 6.306 6.131) 9.216 13.044 ( -8.711 -3.632 -1.375) 9.537 13.385 ( -2.427 -1.812 -4.331) 5.285 13.756 ( -1.532 -4.747 -2.293) 5.490 13.872 ( 10.255 -9.870 1.787) 14.345 15.440 ( 5.934 -4.261 13.872) 15.678 17.877 ( -16.157 12.385 -13.613) 24.490 18.523 ( -4.101 -2.221 4.587) 6.542 19.259 ( 5.624 -0.976 2.082) 6.076 19.673 ( 7.494 -1.095 2.757) 8.060 23.679 ( -0.790 3.437 0.907) 3.641 24.245 ( -0.245 1.848 -1.041) 2.135 ======================= Grid point 321 (170/294) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 0.000 0.000 44.069) 44.069 1.684 ( 0.000 0.000 44.055) 44.055 2.424 ( 0.000 0.000 62.699) 62.699 5.293 ( -0.000 -0.000 -3.392) 3.392 5.515 ( -0.000 -0.000 -10.956) 10.956 5.614 ( -0.000 -0.000 -8.793) 8.793 6.257 ( -0.000 -0.000 -2.291) 2.291 6.675 ( -0.000 -0.000 -0.581) 0.581 7.485 ( 0.000 0.000 20.445) 20.445 7.698 ( 0.000 0.000 18.080) 18.080 7.707 ( -0.000 -0.000 -3.703) 3.703 8.991 ( -0.000 -0.000 -12.608) 12.608 10.414 ( -0.000 -0.000 -10.937) 10.937 11.168 ( -0.000 -0.000 -3.043) 3.043 11.335 ( 0.000 0.000 1.624) 1.624 11.753 ( 0.000 0.000 1.785) 1.785 12.436 ( -0.000 -0.000 -1.176) 1.176 12.504 ( 0.000 0.000 2.669) 2.669 12.579 ( 0.000 0.000 6.289) 6.289 12.878 ( -0.000 -0.000 -2.516) 2.516 12.896 ( -0.000 -0.000 -1.205) 1.205 13.597 ( -0.000 -0.000 -1.847) 1.847 13.635 ( -0.000 -0.000 -1.755) 1.755 13.747 ( 0.000 0.000 5.483) 5.483 18.059 ( -0.000 -0.000 -13.303) 13.303 18.370 ( -0.000 -0.000 -11.037) 11.037 19.643 ( 0.000 0.000 7.485) 7.485 19.871 ( 0.000 0.000 8.185) 8.185 23.630 ( -0.000 -0.000 -4.684) 4.684 24.424 ( 0.000 0.000 3.012) 3.012 ======================= Grid point 322 (171/294) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 0.006 -2.146 40.707) 40.764 2.199 ( 13.274 14.454 38.802) 43.483 3.056 ( 21.727 9.206 51.844) 56.961 5.204 ( -8.606 1.068 -3.790) 9.464 5.331 ( -2.299 -8.724 -10.093) 13.537 5.627 ( 1.745 0.283 -4.856) 5.168 6.258 ( 0.149 2.392 -3.584) 4.312 6.754 ( 4.719 4.000 1.254) 6.313 7.352 ( -18.194 -8.900 10.554) 22.839 7.669 ( 2.788 -10.722 10.267) 15.104 7.976 ( 8.700 12.926 7.814) 17.431 8.901 ( -1.033 0.080 -6.953) 7.030 10.184 ( -12.747 -8.592 -10.557) 18.648 10.857 ( -22.071 -14.323 7.387) 27.329 11.349 ( -8.849 7.393 1.139) 11.587 11.609 ( -0.318 -10.358 9.272) 13.906 12.274 ( -5.515 -3.401 7.038) 9.566 12.341 ( -4.210 -8.336 -2.246) 9.604 12.719 ( -3.093 13.572 -1.294) 13.979 12.911 ( 8.036 -6.556 -0.737) 10.397 13.102 ( 2.621 2.644 -5.615) 6.737 13.548 ( -1.329 0.408 0.241) 1.411 13.730 ( 8.930 4.219 -0.676) 9.899 14.177 ( 30.304 17.086 -9.027) 35.941 17.929 ( -6.430 0.560 -12.993) 14.508 18.441 ( 12.189 3.940 -10.397) 16.498 19.468 ( -18.325 -8.929 10.169) 22.780 19.943 ( 3.385 0.295 7.784) 8.493 23.605 ( 0.133 -0.420 -4.898) 4.918 24.422 ( -2.022 -0.608 2.741) 3.460 ======================= Grid point 323 (172/294) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 12.641 7.471 27.281) 30.982 2.797 ( 15.553 16.811 31.509) 38.953 3.774 ( 22.005 7.356 37.878) 44.419 5.034 ( -9.215 2.496 -4.792) 10.682 5.204 ( 1.189 -8.273 -6.092) 10.343 5.627 ( 1.035 -0.646 0.578) 1.350 6.211 ( -5.637 -0.035 -6.420) 8.544 6.833 ( -4.107 1.696 7.179) 8.443 7.021 ( -12.698 -8.816 1.946) 15.580 7.646 ( 0.203 -10.632 8.102) 13.369 8.225 ( 4.773 7.215 -0.299) 8.656 8.986 ( 10.048 7.048 6.034) 13.677 9.806 ( -13.443 -11.518 -7.857) 19.368 10.505 ( -13.373 -10.263 9.836) 19.517 11.149 ( -20.714 9.260 -2.389) 22.816 11.687 ( 9.644 -10.045 8.864) 16.507 12.196 ( -1.254 -8.464 -5.720) 10.292 12.253 ( -0.476 -3.149 8.849) 9.405 12.740 ( -6.564 10.071 -3.340) 12.477 12.948 ( -4.063 3.722 -0.806) 5.569 13.057 ( 4.169 -7.727 -3.468) 9.440 13.542 ( -0.312 -0.858 0.959) 1.324 13.948 ( 11.162 6.583 -0.022) 12.959 14.705 ( 24.713 12.827 -12.264) 30.425 17.758 ( -7.020 2.638 -10.052) 12.541 18.572 ( 1.759 -2.590 1.983) 3.706 19.197 ( -7.615 -3.302 0.831) 8.342 20.037 ( 2.422 -0.114 6.274) 6.727 23.559 ( -0.798 -1.997 -4.743) 5.208 24.381 ( -3.873 -0.292 1.170) 4.057 ======================= Grid point 324 (173/294) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 19.056 12.672 13.124) 26.381 3.359 ( 14.068 15.498 23.331) 31.344 4.300 ( 13.783 1.118 23.834) 27.555 4.924 ( -5.022 4.204 -3.019) 7.212 5.123 ( 0.432 -5.409 -3.888) 6.676 5.665 ( 2.598 -0.276 2.673) 3.738 5.983 ( -13.425 -6.534 -1.938) 15.056 6.704 ( -11.664 -3.365 8.993) 15.108 6.884 ( -3.766 -0.235 -4.736) 6.055 7.595 ( -0.123 -8.998 7.068) 11.443 8.273 ( 1.044 0.861 -5.505) 5.669 9.274 ( 3.126 -1.372 -2.045) 3.980 9.583 ( 7.254 1.805 3.980) 8.469 10.313 ( -8.654 -5.866 6.396) 12.256 10.909 ( -16.739 10.978 -3.965) 20.406 11.761 ( 6.090 -13.887 7.140) 16.760 12.074 ( -2.748 -4.243 -2.970) 5.863 12.282 ( 1.633 -4.917 6.815) 8.561 12.645 ( -10.683 7.689 -6.409) 14.639 12.867 ( -5.474 2.234 -2.148) 6.290 13.092 ( 6.355 -4.972 1.757) 8.258 13.523 ( -1.379 -2.897 2.959) 4.365 14.188 ( 9.972 7.654 -0.337) 12.576 15.076 ( 17.846 8.359 -9.538) 21.893 17.650 ( -3.990 3.245 -4.992) 7.168 18.429 ( -16.288 -9.416 17.370) 25.606 19.216 ( 10.472 4.520 -13.078) 17.353 20.088 ( 0.335 -0.709 4.156) 4.230 23.489 ( -1.276 -3.126 -4.606) 5.711 24.312 ( -4.576 0.516 -1.160) 4.749 ======================= Grid point 325 (174/294) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( 19.503 14.214 1.628) 24.188 3.780 ( 8.106 11.379 12.851) 18.983 4.485 ( 4.422 -10.555 6.058) 12.949 4.916 ( -4.247 6.755 3.181) 8.590 5.086 ( -0.050 0.140 0.233) 0.276 5.657 ( -5.523 -7.623 2.101) 9.645 5.800 ( -1.073 1.432 6.748) 6.981 6.535 ( -9.289 -3.736 0.015) 10.012 6.772 ( -7.496 -0.780 0.490) 7.552 7.571 ( 0.590 -6.305 7.086) 9.503 8.258 ( 2.972 -1.320 -7.516) 8.189 9.066 ( -5.865 -10.011 -12.440) 17.011 9.990 ( 17.743 10.906 2.108) 20.933 10.172 ( -6.871 -2.588 6.755) 9.977 10.795 ( -8.087 11.653 -2.351) 14.377 11.705 ( 3.309 -17.459 2.198) 17.905 11.989 ( -6.074 -1.399 1.950) 6.531 12.218 ( -9.670 2.372 -3.787) 10.653 12.572 ( 0.770 0.098 2.386) 2.509 12.801 ( -2.951 0.172 -1.308) 3.232 13.180 ( 5.258 -0.580 5.013) 7.288 13.485 ( -1.115 -5.882 5.929) 8.426 14.388 ( 5.988 7.795 -1.251) 9.909 15.332 ( 12.395 5.110 -6.574) 14.932 17.629 ( -0.065 1.299 1.159) 1.743 18.176 ( -17.803 -6.384 18.417) 26.399 19.368 ( 11.839 4.385 -13.498) 18.482 20.083 ( -1.965 -1.221 1.391) 2.699 23.415 ( -0.673 -2.900 -4.394) 5.308 24.238 ( -3.698 1.199 -3.430) 5.185 ======================= Grid point 326 (175/294) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.466 ( 11.030 10.183 -6.175) 16.232 3.980 ( 3.903 5.281 -0.900) 6.628 4.415 ( 0.496 -12.077 -3.614) 12.616 4.878 ( -9.566 4.831 4.774) 11.732 5.103 ( -1.323 -0.719 7.249) 7.404 5.536 ( -4.198 -4.812 8.087) 10.304 5.922 ( 5.567 5.124 2.296) 7.907 6.362 ( -4.977 -5.572 0.129) 7.472 6.643 ( -9.277 0.438 3.233) 9.834 7.575 ( 0.726 -4.581 7.158) 8.529 8.266 ( 5.567 -1.455 -9.008) 10.689 8.828 ( -2.831 -7.698 -13.834) 16.083 9.953 ( -10.975 1.512 -8.402) 13.904 10.387 ( 9.954 1.405 5.157) 11.298 10.825 ( 2.507 10.138 -5.625) 11.862 11.624 ( 0.200 -10.397 0.998) 10.447 11.809 ( -10.840 -2.439 -1.307) 11.187 12.110 ( -6.887 8.732 1.021) 11.168 12.632 ( 4.019 -5.140 5.513) 8.542 12.768 ( 1.039 -1.990 0.325) 2.268 13.297 ( 0.387 5.986 6.705) 8.996 13.476 ( 4.693 -10.627 11.163) 16.111 14.499 ( 0.470 6.836 -2.562) 7.315 15.495 ( 7.717 2.335 -4.645) 9.305 17.669 ( 2.264 -4.149 8.391) 9.631 17.990 ( -13.900 1.302 15.305) 20.716 19.500 ( 9.541 2.717 -11.511) 15.196 20.018 ( -4.334 -1.301 -1.956) 4.930 23.372 ( 1.052 -1.351 -3.789) 4.158 24.180 ( -1.726 1.408 -5.123) 5.587 ======================= Grid point 327 (176/294) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.488 ( -4.507 -6.034 -11.170) 13.471 4.019 ( -6.415 0.743 -8.863) 10.966 4.243 ( -2.144 1.295 -11.274) 11.549 4.843 ( -1.735 0.624 9.619) 9.794 5.113 ( -1.069 -5.985 10.587) 12.208 5.519 ( -0.776 -0.188 7.916) 7.956 6.001 ( -0.596 0.816 -2.343) 2.552 6.319 ( -0.895 -0.773 6.715) 6.819 6.561 ( -3.257 3.532 2.336) 5.342 7.592 ( 1.167 -4.570 7.115) 8.536 8.275 ( 3.335 -2.492 -8.407) 9.381 8.703 ( 4.386 -1.884 -14.253) 15.031 9.710 ( -13.414 0.775 -8.163) 15.722 10.392 ( -2.688 -9.347 -4.982) 10.928 10.985 ( 8.095 9.702 -11.122) 16.833 11.430 ( -8.655 1.341 -10.655) 13.793 11.762 ( -0.680 -1.573 11.167) 11.298 12.160 ( 0.061 7.853 6.096) 9.941 12.640 ( -0.470 -4.277 4.283) 6.071 12.818 ( 6.860 -4.093 3.318) 8.650 13.348 ( -3.570 3.707 6.648) 8.407 13.595 ( 9.099 -8.162 15.712) 19.907 14.496 ( -5.267 4.999 -3.924) 8.254 15.570 ( 3.708 -0.104 -4.250) 5.641 17.691 ( -1.774 -7.329 15.738) 17.451 17.975 ( -2.889 7.382 11.323) 13.822 19.581 ( 6.466 0.498 -10.224) 12.107 19.900 ( -6.280 -0.666 -5.408) 8.314 23.383 ( 3.250 0.571 -2.772) 4.310 24.149 ( 0.405 1.327 -5.952) 6.111 ======================= Grid point 328 (177/294) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.139 ( -14.150 -17.785 -12.160) 25.776 3.575 ( -29.354 -3.269 -16.449) 33.806 4.370 ( 10.012 9.640 -4.518) 14.614 4.862 ( -5.884 -7.325 10.806) 14.319 5.078 ( 0.750 -6.557 7.512) 9.999 5.621 ( 4.044 4.631 8.642) 10.606 5.941 ( -4.086 -0.628 -1.628) 4.442 6.324 ( -2.251 -0.245 8.095) 8.405 6.630 ( 2.809 6.254 -0.436) 6.869 7.601 ( 1.576 -7.451 5.454) 9.368 8.238 ( -0.546 -0.589 -2.713) 2.829 8.757 ( 11.404 3.326 -15.277) 19.352 9.474 ( -10.185 0.272 -6.530) 12.102 10.150 ( -6.924 -11.531 -11.473) 17.679 10.994 ( -5.042 5.304 -9.624) 12.090 11.437 ( 8.930 9.402 -11.381) 17.253 11.812 ( 0.260 -0.507 10.580) 10.595 12.276 ( 1.839 3.557 5.068) 6.459 12.612 ( -2.541 -2.043 5.111) 6.063 12.937 ( 7.968 -2.201 5.355) 9.849 13.364 ( -1.592 -0.410 8.265) 8.427 13.749 ( 5.862 -6.120 14.834) 17.084 14.379 ( -10.123 2.830 -5.091) 11.679 15.564 ( 0.564 -2.075 -5.657) 6.052 17.712 ( -2.092 -1.114 17.920) 18.076 18.126 ( 4.520 4.894 12.244) 13.939 19.584 ( 1.758 -1.107 -11.186) 11.377 19.750 ( -6.108 -0.553 -7.761) 9.891 23.449 ( 4.939 1.785 -1.765) 5.541 24.146 ( 1.966 1.373 -5.594) 6.086 ======================= Grid point 329 (178/294) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( -20.621 -20.307 -7.575) 29.916 2.911 ( -35.202 -4.944 -16.041) 38.999 4.490 ( -18.436 -12.824 14.243) 26.593 4.685 ( 5.508 3.067 -0.881) 6.366 5.159 ( 7.920 -2.221 3.756) 9.042 5.754 ( -3.021 4.712 3.079) 6.388 5.894 ( 1.846 2.059 3.778) 4.682 6.386 ( 3.925 -0.290 9.914) 10.667 6.721 ( 1.931 6.853 -1.629) 7.303 7.551 ( 0.795 -12.379 1.889) 12.547 8.234 ( -3.448 4.555 3.957) 6.950 8.920 ( 13.203 6.551 -13.413) 19.929 9.303 ( -5.601 -4.085 -4.885) 8.481 9.907 ( -1.993 -4.528 -11.616) 12.626 10.941 ( -1.840 7.497 -6.569) 10.136 11.612 ( 9.456 7.547 -10.194) 15.820 11.895 ( 2.441 -0.874 10.745) 11.054 12.328 ( 2.255 -2.126 0.514) 3.141 12.584 ( -4.239 1.155 5.222) 6.825 13.078 ( 5.073 1.990 4.952) 7.364 13.387 ( 0.382 -4.864 9.912) 11.048 13.830 ( 1.328 -5.955 10.888) 12.481 14.172 ( -13.286 1.092 -5.656) 14.481 15.484 ( -1.743 -3.628 -9.174) 10.018 17.841 ( 1.827 5.615 19.569) 20.440 18.331 ( 6.647 2.559 12.527) 14.411 19.468 ( -6.508 1.339 -14.211) 15.687 19.619 ( -1.086 -4.860 -8.041) 9.458 23.542 ( 5.416 1.834 -1.441) 5.897 24.170 ( 2.784 1.755 -3.627) 4.897 ======================= Grid point 334 (179/294) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -5.113 0.494 41.366) 41.684 2.264 ( 7.646 1.069 40.627) 41.355 3.422 ( -1.822 27.052 47.888) 55.031 5.127 ( 2.814 -10.762 -6.461) 12.864 5.339 ( -3.836 -0.681 -7.567) 8.511 5.588 ( -0.500 4.762 -7.805) 9.157 6.229 ( 2.118 -2.563 -0.838) 3.429 6.776 ( 0.246 8.030 1.976) 8.273 7.464 ( 4.876 -13.171 2.646) 14.291 7.723 ( -14.766 -3.420 13.706) 20.435 7.967 ( 7.814 5.496 8.343) 12.684 8.851 ( 0.791 0.079 -6.541) 6.589 10.102 ( -1.242 -15.393 -12.906) 20.126 10.884 ( -1.845 -28.998 5.956) 29.661 11.233 ( 7.421 -10.482 3.591) 13.336 11.770 ( -3.838 3.577 3.909) 6.543 12.184 ( -4.301 -12.968 1.240) 13.719 12.513 ( -1.879 -0.173 4.977) 5.323 12.638 ( 7.464 -1.367 1.572) 7.750 12.976 ( -2.292 11.534 -3.236) 12.196 13.143 ( -1.450 13.846 -5.611) 15.010 13.493 ( 2.787 -3.539 -0.602) 4.545 13.753 ( -2.053 9.079 1.373) 9.409 14.078 ( 0.072 24.591 -6.101) 25.337 17.935 ( 4.612 5.060 -13.097) 14.778 18.317 ( -3.902 7.805 -12.266) 15.054 19.624 ( 1.894 -10.406 10.014) 14.565 19.879 ( -1.804 -9.134 8.838) 12.837 23.578 ( -0.413 0.299 -4.957) 4.983 24.432 ( 0.561 -3.177 2.226) 3.920 ======================= Grid point 335 (180/294) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( -0.817 4.354 36.412) 36.680 2.778 ( 20.143 3.847 32.685) 38.586 3.953 ( 4.459 23.026 37.088) 43.882 5.035 ( 2.460 -7.829 -7.817) 11.334 5.186 ( -8.376 0.318 -3.695) 9.161 5.592 ( 1.389 2.435 -5.472) 6.148 6.225 ( 0.048 -3.945 -0.766) 4.019 6.877 ( 1.464 7.044 -1.166) 7.288 7.242 ( -16.520 -11.594 4.744) 20.732 7.615 ( -2.302 -9.078 12.868) 15.916 8.171 ( 7.046 5.014 -2.897) 9.120 8.919 ( 8.106 3.700 3.794) 9.684 9.776 ( -8.268 -18.383 -11.582) 23.247 10.562 ( -7.113 -25.319 9.690) 28.028 11.308 ( 5.353 -11.486 4.194) 13.348 11.700 ( -8.496 6.549 2.578) 11.033 12.010 ( -0.909 -12.333 -2.853) 12.691 12.436 ( -9.847 1.362 8.097) 12.821 12.731 ( 6.345 -4.992 -0.554) 8.093 13.058 ( -5.739 14.829 -0.398) 15.906 13.117 ( -5.843 8.289 -8.724) 13.377 13.541 ( 2.669 -1.424 3.153) 4.369 13.870 ( 5.603 10.885 -0.572) 12.256 14.427 ( 18.264 18.730 -8.389) 27.472 17.902 ( -8.641 11.086 -10.939) 17.811 18.388 ( 12.526 4.470 -11.288) 17.444 19.407 ( -17.177 -10.544 10.619) 22.781 19.942 ( 8.731 -8.585 7.733) 14.482 23.531 ( -1.258 -1.410 -4.765) 5.126 24.407 ( -0.709 -4.130 1.022) 4.313 ======================= Grid point 336 (181/294) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 8.503 8.149 24.365) 27.062 3.322 ( 19.698 4.917 25.253) 32.402 4.366 ( 3.382 9.997 21.460) 23.914 4.981 ( -0.602 2.664 -6.920) 7.439 5.065 ( -2.457 -2.668 -0.555) 3.669 5.606 ( 2.248 0.128 -5.116) 5.589 6.123 ( -7.693 -6.379 5.114) 11.226 6.860 ( -7.004 -4.873 -5.067) 9.924 6.963 ( -9.561 -0.164 6.290) 11.446 7.588 ( -0.929 -6.176 10.782) 12.460 8.226 ( 1.187 1.991 -9.486) 9.765 9.158 ( 7.717 -3.688 1.773) 8.735 9.473 ( 2.225 -8.125 -2.427) 8.766 10.343 ( -3.133 -16.949 8.728) 19.319 11.187 ( -7.733 -6.573 0.171) 10.150 11.671 ( -6.404 2.154 1.067) 6.840 11.944 ( 8.776 -11.263 2.303) 14.463 12.345 ( -7.288 -1.794 7.478) 10.595 12.754 ( 1.950 -1.985 -3.239) 4.270 12.958 ( -9.768 4.929 -7.071) 13.027 13.115 ( -5.652 10.893 -1.035) 12.316 13.573 ( -1.786 1.259 4.311) 4.834 14.108 ( 10.316 10.855 0.263) 14.977 14.826 ( 17.983 12.869 -7.607) 23.385 17.795 ( -9.595 10.575 -6.294) 15.605 18.545 ( 5.432 -0.435 -0.948) 5.531 19.147 ( -8.436 -3.660 2.388) 9.501 20.026 ( 5.781 -7.335 4.976) 10.582 23.456 ( -1.783 -3.043 -4.529) 5.740 24.346 ( -1.984 -4.108 -0.945) 4.659 ======================= Grid point 337 (182/294) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.976 ( 13.909 10.168 11.426) 20.674 3.774 ( 14.019 4.913 16.884) 22.488 4.428 ( -4.221 -7.107 -0.222) 8.269 4.976 ( 0.838 -0.521 -1.552) 1.839 5.103 ( 2.222 7.920 4.048) 9.168 5.596 ( 1.902 -3.330 -3.474) 5.174 5.981 ( -9.616 -3.364 13.745) 17.109 6.617 ( -9.532 -8.153 -5.253) 13.599 6.886 ( -5.966 0.989 1.667) 6.273 7.603 ( -1.429 -0.855 10.778) 10.906 8.175 ( -0.144 -0.506 -9.288) 9.303 8.961 ( -4.956 -15.131 -10.262) 18.943 9.767 ( 19.907 6.139 1.656) 20.898 10.219 ( -2.213 -10.989 6.231) 12.825 11.047 ( -6.818 2.536 1.630) 7.455 11.529 ( -4.251 -8.394 -2.905) 9.847 12.042 ( 4.220 -5.668 8.715) 11.220 12.256 ( -2.596 -5.621 4.146) 7.451 12.698 ( -8.381 7.252 -7.619) 13.449 12.829 ( -3.610 -0.387 -3.430) 4.995 13.137 ( 0.452 3.897 2.812) 4.827 13.556 ( -4.764 0.515 5.558) 7.338 14.371 ( 7.925 11.769 0.875) 14.215 15.144 ( 13.798 8.813 -5.602) 17.304 17.727 ( -6.540 7.321 -0.726) 9.843 18.488 ( -12.357 -4.666 14.811) 19.845 19.146 ( 9.000 4.310 -11.600) 15.302 20.048 ( 2.616 -6.928 1.988) 7.667 23.373 ( -1.180 -3.275 -4.352) 5.573 24.262 ( -2.422 -3.316 -3.218) 5.217 ======================= Grid point 338 (183/294) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.335 ( 13.207 9.303 0.419) 16.160 4.007 ( -0.405 3.332 1.475) 3.667 4.263 ( 1.902 -10.472 -2.429) 10.917 4.946 ( 0.477 -6.093 -2.884) 6.758 5.222 ( -2.857 7.497 5.885) 9.950 5.577 ( -0.815 -5.103 6.790) 8.533 5.949 ( -1.503 2.108 8.986) 9.351 6.372 ( -6.000 -8.039 -4.169) 10.863 6.797 ( -7.152 -0.595 2.530) 7.609 7.638 ( -3.098 2.147 9.418) 10.144 8.133 ( 2.672 -0.631 -8.051) 8.506 8.713 ( -2.933 -10.340 -9.981) 14.667 9.959 ( 1.177 -2.224 -13.521) 13.753 10.240 ( 11.117 -1.751 4.518) 12.127 10.986 ( -10.634 8.551 0.191) 13.647 11.440 ( 7.308 -11.546 1.993) 13.809 11.967 ( -9.984 -2.713 1.600) 10.469 12.262 ( 1.075 -0.210 4.837) 4.959 12.574 ( -5.295 -0.153 -3.195) 6.186 12.786 ( -1.267 0.832 0.256) 1.537 13.250 ( 7.980 -0.960 6.343) 10.239 13.510 ( -5.358 -0.084 7.073) 8.874 14.568 ( 1.971 11.534 0.648) 11.719 15.365 ( 9.090 5.236 -3.882) 11.185 17.705 ( -3.245 1.308 5.354) 6.396 18.335 ( -14.339 0.970 16.744) 22.066 19.285 ( 11.029 3.818 -12.692) 17.243 20.008 ( -0.103 -6.505 -1.133) 6.604 23.317 ( 0.626 -1.914 -4.043) 4.516 24.176 ( -1.673 -2.087 -5.209) 5.856 ======================= Grid point 339 (184/294) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.465 ( -3.122 -1.095 -7.960) 8.620 3.971 ( 4.982 0.972 -6.894) 8.561 4.238 ( -3.080 0.052 -6.399) 7.102 4.858 ( 0.330 -9.005 -0.310) 9.016 5.220 ( -6.634 0.893 10.502) 12.454 5.558 ( -0.785 -4.183 7.624) 8.732 6.011 ( -0.212 2.296 0.124) 2.309 6.305 ( 4.272 -2.208 4.579) 6.640 6.680 ( -7.201 -2.016 3.329) 8.186 7.642 ( -3.934 1.074 5.285) 6.675 8.158 ( 4.617 2.002 -5.469) 7.432 8.571 ( -0.086 -2.597 -8.163) 8.567 9.777 ( -5.584 -7.243 -12.895) 15.809 10.355 ( 0.042 -1.056 -5.858) 5.953 10.915 ( -0.635 7.459 -6.559) 9.953 11.469 ( 0.147 -3.103 -5.244) 6.095 11.836 ( -3.948 -0.856 7.194) 8.250 12.285 ( -4.205 6.730 1.592) 8.093 12.522 ( 5.729 -12.491 5.278) 14.721 12.805 ( -0.148 3.182 4.255) 5.315 13.391 ( 5.818 -8.307 6.964) 12.303 13.513 ( 0.939 3.390 9.544) 10.172 14.646 ( -4.923 9.817 -0.159) 10.983 15.488 ( 4.572 2.097 -3.138) 5.929 17.703 ( -0.602 -5.612 11.306) 12.637 18.275 ( -10.477 9.048 15.217) 20.572 19.393 ( 8.488 0.316 -11.370) 14.192 19.916 ( -2.458 -4.888 -4.265) 6.938 23.315 ( 2.950 0.136 -3.493) 4.574 24.113 ( -0.045 -0.561 -6.396) 6.421 ======================= Grid point 340 (185/294) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.191 ( -14.891 -8.380 -8.933) 19.282 3.879 ( -20.098 -0.423 -13.693) 24.323 4.217 ( 11.331 6.028 -7.483) 14.857 4.838 ( 4.219 -8.085 5.619) 10.712 5.160 ( -7.259 -4.646 10.696) 13.737 5.604 ( 4.671 0.592 5.666) 7.367 5.991 ( -2.906 -0.434 0.409) 2.967 6.400 ( 0.674 -0.931 7.987) 8.069 6.619 ( 1.212 -0.916 1.802) 2.357 7.594 ( -3.542 -2.022 0.426) 4.101 8.252 ( 3.132 7.531 1.069) 8.226 8.559 ( 4.352 3.125 -9.233) 10.675 9.531 ( -6.054 -8.018 -11.729) 15.444 10.172 ( -11.888 -2.505 -7.694) 14.380 10.996 ( 4.154 6.422 -11.015) 13.410 11.385 ( -1.093 7.369 -10.978) 13.267 11.859 ( 0.057 -1.946 8.450) 8.671 12.279 ( -0.360 -2.450 1.119) 2.717 12.572 ( 6.364 -7.702 6.539) 11.940 12.901 ( 3.019 3.328 10.276) 11.215 13.387 ( 0.465 -7.980 7.014) 10.634 13.671 ( 6.707 -0.329 9.020) 11.245 14.591 ( -10.994 6.876 -0.958) 13.002 15.516 ( 0.405 0.006 -3.896) 3.917 17.729 ( 2.696 -8.909 15.556) 18.128 18.343 ( -5.797 13.657 14.434) 20.699 19.419 ( 5.323 -4.620 -10.815) 12.909 19.793 ( -4.672 -1.499 -7.251) 8.755 23.368 ( 4.832 1.510 -2.914) 5.841 24.092 ( 1.787 1.242 -6.302) 6.667 ======================= Grid point 341 (186/294) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( -20.426 -5.877 -2.985) 21.463 3.343 ( -31.992 -0.219 -15.692) 35.634 4.449 ( 12.381 3.887 -3.775) 13.515 4.795 ( -8.561 -11.368 11.426) 18.250 5.099 ( 0.968 -1.112 6.728) 6.887 5.768 ( 8.923 1.227 4.940) 10.272 5.902 ( -5.712 -2.283 -2.165) 6.521 6.423 ( -0.695 -3.178 11.953) 12.388 6.701 ( 6.003 2.067 0.668) 6.384 7.499 ( -4.059 -3.820 -2.421) 6.077 8.388 ( -2.360 10.509 10.028) 14.717 8.672 ( 13.316 6.642 -13.186) 19.882 9.301 ( -5.133 -8.000 -10.368) 14.066 9.927 ( -10.395 1.966 -7.303) 12.856 10.997 ( -1.213 6.146 -8.246) 10.356 11.479 ( 7.920 10.420 -11.966) 17.734 11.901 ( 1.968 -2.001 7.862) 8.348 12.239 ( 2.121 -9.785 0.631) 10.032 12.626 ( 2.050 -2.532 3.867) 5.057 13.070 ( 4.887 2.449 12.984) 14.087 13.360 ( 0.808 -8.858 6.206) 10.846 13.791 ( 3.785 -2.636 5.601) 7.256 14.419 ( -15.051 3.474 -0.908) 15.473 15.457 ( -3.412 -0.665 -6.503) 7.374 17.828 ( 7.811 -9.105 18.036) 21.661 18.492 ( -2.713 13.381 13.088) 18.914 19.358 ( 2.556 -7.281 -10.178) 12.773 19.651 ( -6.894 1.990 -9.809) 12.153 23.452 ( 5.685 1.481 -2.763) 6.492 24.119 ( 3.184 3.006 -4.551) 6.315 ======================= Grid point 346 (187/294) ======================= q-point: ( 0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 3.143 4.289 34.856) 35.259 2.676 ( -18.997 -0.264 37.727) 42.241 4.017 ( -6.917 25.966 36.239) 45.115 4.950 ( 2.123 -8.928 -6.320) 11.143 5.288 ( 3.681 1.209 -6.074) 7.204 5.620 ( -2.146 3.623 -4.485) 6.152 6.152 ( 1.351 -5.740 -2.734) 6.500 6.867 ( -0.214 4.531 4.232) 6.203 7.176 ( 14.031 -14.159 1.095) 19.964 7.847 ( 5.203 3.206 -0.991) 6.191 8.094 ( -10.401 0.364 11.568) 15.561 8.883 ( -7.733 2.652 1.988) 8.413 9.842 ( 5.867 -14.508 -10.606) 18.904 10.604 ( 5.828 -26.625 10.937) 29.368 11.008 ( 7.881 -14.745 -1.401) 16.777 11.833 ( -2.331 -1.953 4.071) 5.082 12.201 ( -2.541 -0.830 -1.560) 3.095 12.442 ( 8.128 3.535 6.826) 11.187 12.653 ( 0.323 0.875 2.655) 2.814 12.941 ( 6.664 0.770 -2.620) 7.202 13.214 ( 4.736 11.300 -5.795) 13.554 13.527 ( -4.731 3.961 -1.251) 6.295 13.883 ( -4.434 7.585 2.247) 9.069 14.443 ( -19.180 20.453 -9.422) 29.580 17.763 ( 8.984 3.177 -9.806) 13.674 18.503 ( -11.966 11.118 -10.797) 19.579 19.372 ( 17.172 -12.839 11.873) 24.509 19.968 ( -8.384 -7.109 6.163) 12.601 23.553 ( 0.362 0.135 -4.971) 4.986 24.374 ( 1.948 -6.247 0.649) 6.576 ======================= Grid point 347 (188/294) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( -5.334 3.223 36.711) 37.236 2.721 ( 8.563 -0.313 34.436) 35.486 4.365 ( -3.212 20.527 25.203) 32.663 4.892 ( 3.235 -3.411 -3.331) 5.761 5.260 ( -3.301 -0.671 -3.957) 5.197 5.585 ( -1.822 5.097 -8.904) 10.420 6.135 ( 3.867 -7.133 1.530) 8.257 6.926 ( -0.441 4.144 -0.869) 4.257 7.206 ( 5.465 -13.931 0.224) 14.967 7.772 ( -10.721 -3.994 6.055) 12.944 8.118 ( 1.351 4.178 3.508) 5.620 8.873 ( 2.397 2.749 3.786) 5.257 9.629 ( -3.694 -18.104 -10.116) 21.065 10.406 ( -0.595 -31.559 10.965) 33.415 11.087 ( 11.152 -9.950 3.330) 15.312 11.692 ( -2.095 -13.864 -2.067) 14.173 12.120 ( -8.987 5.209 -0.748) 10.414 12.552 ( 0.445 -5.551 5.605) 7.901 12.683 ( -2.144 3.677 3.363) 5.425 13.133 ( 9.482 8.813 -4.493) 13.703 13.279 ( -4.920 9.910 -5.569) 12.387 13.526 ( -0.361 7.477 1.473) 7.629 13.950 ( -0.198 8.955 2.308) 9.250 14.420 ( -0.764 21.999 -7.725) 23.329 17.948 ( 10.756 11.175 -10.033) 18.473 18.339 ( -10.036 10.262 -12.193) 18.833 19.531 ( 3.052 -13.543 11.900) 18.285 19.795 ( -2.382 -9.861 7.818) 12.807 23.511 ( -1.196 -1.351 -4.815) 5.142 24.340 ( 1.921 -8.250 -0.060) 8.471 ======================= Grid point 348 (189/294) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( -2.177 2.964 30.947) 31.164 3.177 ( 19.378 -0.111 28.480) 34.448 4.508 ( -1.743 0.242 4.572) 4.899 4.983 ( 2.510 5.846 4.463) 7.771 5.150 ( -7.682 5.774 -4.463) 10.595 5.553 ( 0.183 1.625 -7.604) 7.778 6.142 ( 1.604 -7.362 7.478) 10.616 6.860 ( -4.250 -5.106 -8.729) 10.970 7.122 ( -5.433 -4.440 3.756) 7.958 7.659 ( -4.894 -2.842 12.937) 14.121 8.169 ( 1.490 4.315 -8.859) 9.966 9.007 ( 6.578 -5.493 3.413) 9.225 9.363 ( -1.576 -10.044 -2.710) 10.522 10.212 ( 1.870 -25.115 11.153) 27.544 11.100 ( 1.188 -13.724 0.324) 13.779 11.615 ( 10.300 -13.317 1.504) 16.903 11.994 ( -13.190 7.774 -0.915) 15.338 12.473 ( -6.005 -6.467 5.669) 10.489 12.692 ( 0.028 0.620 -0.003) 0.620 13.137 ( -8.733 7.522 -8.450) 14.291 13.317 ( -4.913 11.701 -2.474) 12.930 13.634 ( 1.484 6.234 4.917) 8.077 14.081 ( 5.620 11.432 -0.133) 12.739 14.682 ( 11.794 18.220 -5.067) 22.287 18.047 ( -9.905 15.106 -7.270) 19.472 18.352 ( 12.168 6.453 -10.404) 17.261 19.341 ( -14.189 -10.037 10.333) 20.220 19.847 ( 9.187 -10.319 6.458) 15.251 23.435 ( -2.185 -3.008 -4.329) 5.706 24.282 ( 1.369 -8.923 -1.241) 9.112 ======================= Grid point 349 (190/294) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( 5.323 4.646 20.219) 21.418 3.637 ( 18.701 -1.342 22.450) 29.250 4.408 ( -4.127 -9.550 -7.560) 12.861 4.931 ( -2.653 -4.247 -7.378) 8.917 5.229 ( -0.853 15.261 5.380) 16.204 5.538 ( 0.941 -0.010 -1.465) 1.741 6.127 ( -3.240 -5.914 11.557) 13.380 6.630 ( -7.915 -8.961 -9.274) 15.132 7.011 ( -7.374 -0.466 1.967) 7.646 7.696 ( -0.363 1.108 12.319) 12.374 8.144 ( -1.569 3.491 -9.670) 10.400 8.851 ( -5.309 -15.878 -4.472) 17.329 9.519 ( 16.395 2.782 2.882) 16.877 10.119 ( 3.063 -17.902 7.735) 19.741 10.973 ( 2.898 -13.666 0.324) 13.974 11.661 ( -2.481 -3.657 -1.562) 4.687 11.905 ( 1.050 -0.811 6.632) 6.764 12.329 ( -7.734 -6.461 4.149) 10.898 12.704 ( 1.779 -0.410 -1.546) 2.392 13.000 ( -11.350 8.719 -7.523) 16.169 13.272 ( -7.985 8.464 -2.993) 12.015 13.685 ( -4.618 3.294 5.881) 8.171 14.344 ( 10.841 12.933 0.672) 16.889 15.008 ( 12.063 13.851 -3.405) 18.680 17.948 ( -11.294 10.471 -3.349) 15.761 18.562 ( 8.097 5.030 -1.732) 9.688 19.124 ( -8.435 -2.980 3.861) 9.744 19.906 ( 6.269 -10.455 2.993) 12.552 23.344 ( -2.009 -3.325 -3.834) 5.459 24.205 ( 0.567 -8.122 -2.801) 8.611 ======================= Grid point 350 (191/294) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.249 ( 9.347 6.036 8.821) 14.199 3.992 ( 10.601 -1.495 12.773) 16.666 4.147 ( -4.581 -11.442 -9.928) 15.826 4.825 ( 0.464 -6.482 -7.778) 10.136 5.349 ( -0.891 6.950 3.151) 7.682 5.580 ( 0.903 1.953 4.724) 5.190 6.069 ( -4.753 -4.726 9.605) 11.713 6.370 ( -7.481 -7.538 -6.134) 12.265 6.901 ( -6.421 -1.479 0.655) 6.621 7.767 ( -1.511 1.628 7.372) 7.699 8.100 ( -2.171 4.795 -3.898) 6.549 8.634 ( -3.358 -9.241 -1.819) 9.999 9.767 ( 10.208 -0.250 -11.329) 15.252 10.064 ( 6.457 -10.778 3.084) 12.937 11.012 ( 11.656 -9.662 6.895) 16.636 11.465 ( -15.595 4.487 -4.668) 16.886 12.024 ( 6.366 -7.783 8.702) 13.297 12.177 ( -2.994 -8.015 4.200) 9.531 12.695 ( -3.356 2.468 -6.815) 7.987 12.863 ( -8.816 6.971 -1.760) 11.376 13.236 ( -2.021 4.318 0.197) 4.771 13.647 ( -6.081 0.742 6.333) 8.811 14.622 ( 7.056 12.419 1.534) 14.366 15.267 ( 8.657 9.299 -2.384) 12.927 17.851 ( -8.576 4.362 1.492) 9.737 18.626 ( -7.111 2.548 11.600) 13.843 19.106 ( 5.904 3.917 -8.000) 10.686 19.894 ( 3.559 -10.244 -0.378) 10.851 23.275 ( -0.494 -1.853 -3.425) 3.925 24.122 ( 0.217 -6.032 -4.333) 7.430 ======================= Grid point 351 (192/294) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.453 ( 3.366 4.194 -1.089) 5.487 3.855 ( -1.331 -7.017 -10.507) 12.705 4.245 ( 4.604 1.030 6.616) 8.126 4.710 ( 1.263 -9.672 -8.049) 12.646 5.382 ( -3.502 1.200 6.385) 7.381 5.582 ( -3.354 -2.587 4.667) 6.303 6.044 ( -0.851 0.982 -0.425) 1.367 6.240 ( 1.367 -4.823 4.433) 6.691 6.774 ( -6.674 -4.654 1.315) 8.242 7.740 ( -4.039 -1.216 0.062) 4.218 8.137 ( 0.254 7.754 0.212) 7.761 8.572 ( -1.201 2.200 4.006) 4.725 9.654 ( -2.153 -11.406 -14.906) 18.892 10.211 ( 12.541 2.200 -7.210) 14.632 11.070 ( -7.676 0.741 -0.673) 7.741 11.339 ( 4.060 -1.856 0.945) 4.564 11.949 ( -7.369 -2.047 2.213) 7.962 12.227 ( 10.636 -14.102 9.240) 19.934 12.544 ( -11.369 6.309 -8.094) 15.316 12.864 ( -0.052 2.996 5.480) 6.245 13.279 ( 3.268 -1.089 2.488) 4.249 13.609 ( -3.187 0.233 7.010) 7.704 14.794 ( -0.312 10.171 1.249) 10.252 15.430 ( 4.839 5.063 -1.716) 7.211 17.769 ( -5.513 -2.485 6.473) 8.859 18.602 ( -9.085 7.080 13.427) 17.690 19.201 ( 7.540 1.118 -9.328) 12.046 19.838 ( 1.751 -7.843 -3.268) 8.675 23.259 ( 1.705 0.507 -3.020) 3.505 24.057 ( 0.748 -2.994 -5.396) 6.216 ======================= Grid point 352 (193/294) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.338 ( -12.807 0.139 -5.442) 13.916 3.888 ( 9.644 -1.645 -6.548) 11.773 4.211 ( -9.918 5.935 -8.837) 14.550 4.673 ( 8.577 -9.101 1.700) 12.621 5.304 ( -8.594 -5.659 9.163) 13.778 5.587 ( 1.917 2.153 3.200) 4.307 6.011 ( -1.016 -1.996 -1.967) 2.981 6.346 ( 7.981 -1.659 5.760) 9.981 6.629 ( -4.910 -7.619 3.349) 9.663 7.652 ( -4.625 -0.148 -1.980) 5.033 8.246 ( 4.599 9.668 -2.627) 11.024 8.639 ( -4.181 9.782 8.144) 13.398 9.409 ( -2.277 -12.443 -13.593) 18.568 10.287 ( -2.684 4.548 -9.998) 11.307 10.960 ( -2.776 6.539 -6.661) 9.738 11.388 ( 1.840 0.762 -4.980) 5.364 11.877 ( -1.201 -3.314 5.044) 6.154 12.231 ( 1.022 -13.693 0.568) 13.743 12.476 ( 1.136 2.561 3.291) 4.322 12.955 ( 2.353 2.259 9.772) 10.302 13.311 ( 2.273 -6.050 3.199) 7.211 13.650 ( 2.606 0.226 6.111) 6.648 14.809 ( -7.826 6.189 0.373) 9.985 15.502 ( 1.061 2.560 -1.700) 3.251 17.716 ( -1.301 -7.534 10.741) 13.185 18.638 ( -6.004 9.684 11.580) 16.245 19.233 ( 4.724 -4.096 -7.709) 9.926 19.775 ( -0.270 -2.740 -5.585) 6.227 23.298 ( 3.518 2.117 -2.695) 4.911 24.034 ( 2.074 0.546 -5.566) 5.965 ======================= Grid point 353 (194/294) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.097 ( -17.348 5.696 0.727) 18.274 3.705 ( -21.549 0.921 -14.300) 25.879 4.257 ( 12.072 4.889 -3.389) 13.458 4.767 ( 6.339 -6.006 5.276) 10.203 5.166 ( -5.998 -5.801 7.919) 11.504 5.680 ( 4.052 1.821 1.812) 4.798 5.937 ( -3.253 -5.776 -1.842) 6.880 6.444 ( 1.699 -6.071 8.055) 10.229 6.592 ( 6.605 -2.500 3.360) 7.821 7.564 ( -6.141 1.608 -2.316) 6.757 8.447 ( 11.149 12.109 -6.714) 17.777 8.666 ( -7.539 5.812 7.876) 12.355 9.220 ( -2.454 -4.925 -8.636) 10.240 10.143 ( -12.701 7.629 -6.406) 16.142 10.981 ( 1.672 5.546 -9.313) 10.968 11.423 ( 3.876 8.937 -8.502) 12.929 11.882 ( 2.087 -4.488 5.623) 7.491 12.100 ( 0.358 -14.584 -0.097) 14.589 12.570 ( 4.420 -0.347 4.274) 6.158 13.088 ( 4.316 -0.851 12.577) 13.324 13.291 ( 0.989 -6.553 2.797) 7.193 13.731 ( 4.141 -2.504 2.815) 5.598 14.674 ( -13.126 1.904 0.272) 13.266 15.493 ( -3.083 2.217 -3.063) 4.879 17.729 ( 4.279 -10.248 13.947) 17.828 18.686 ( -3.158 2.217 5.130) 6.419 19.228 ( 2.878 0.120 -2.085) 3.556 19.702 ( -3.544 1.659 -7.626) 8.571 23.368 ( 4.412 2.063 -2.792) 5.614 24.069 ( 3.557 3.694 -4.442) 6.785 ======================= Grid point 358 (195/294) ======================= q-point: ( 0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( -7.659 6.224 24.058) 26.004 3.207 ( -20.076 0.627 30.015) 36.115 4.492 ( -3.822 16.924 22.086) 28.086 4.833 ( -0.049 -5.591 -3.111) 6.398 5.196 ( 4.924 1.164 -4.927) 7.062 5.669 ( -2.169 2.985 -0.942) 3.808 6.027 ( 4.846 -7.432 -2.576) 9.239 6.807 ( 11.381 -13.386 3.301) 17.877 6.913 ( 3.918 0.497 1.494) 4.222 7.772 ( 5.781 3.359 -1.756) 6.913 8.242 ( -2.014 2.786 1.041) 3.592 9.163 ( -14.776 2.870 3.445) 15.441 9.584 ( 3.230 -7.376 -3.419) 8.748 10.370 ( 3.683 -22.726 10.248) 25.201 10.739 ( 5.869 -11.771 -2.765) 13.440 11.871 ( -5.849 -10.222 4.140) 12.484 12.167 ( 7.538 6.534 -5.822) 11.551 12.414 ( 6.241 1.800 6.685) 9.321 12.632 ( 5.369 2.933 2.478) 6.601 12.830 ( 2.874 -2.351 -1.110) 3.876 13.199 ( 3.311 6.943 -3.506) 8.453 13.616 ( 1.203 8.073 2.068) 8.420 14.068 ( -8.755 6.769 -0.888) 11.102 14.861 ( -18.062 14.678 -8.364) 24.731 17.642 ( 4.427 4.192 -4.708) 7.703 18.651 ( 3.391 1.439 4.329) 5.684 19.121 ( 3.821 -2.828 -1.027) 4.863 20.046 ( -5.022 -6.382 3.810) 8.970 23.504 ( 1.839 -0.281 -5.034) 5.367 24.273 ( 1.640 -7.992 -1.330) 8.267 ======================= Grid point 359 (196/294) ======================= q-point: ( 0.33 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 4.221 2.025 28.522) 28.904 3.105 ( -16.250 -0.091 33.534) 37.264 4.593 ( -2.908 -1.649 -0.905) 3.463 4.894 ( 2.759 9.030 11.611) 14.965 5.242 ( 2.868 1.091 -2.971) 4.271 5.638 ( -4.009 6.347 -7.399) 10.540 6.015 ( 3.599 -7.211 2.281) 8.376 6.841 ( 7.919 -12.094 -5.345) 15.412 7.014 ( 5.581 -2.004 6.706) 8.951 7.805 ( 0.777 1.446 -8.326) 8.486 8.261 ( -4.837 3.553 7.715) 9.775 8.983 ( -9.970 1.155 3.775) 10.723 9.471 ( -1.717 -12.600 -4.589) 13.520 10.182 ( -0.069 -30.325 10.371) 32.049 10.826 ( 11.834 -7.257 3.369) 14.285 11.619 ( -7.554 -16.937 -0.952) 18.569 12.236 ( -0.885 4.202 -3.009) 5.243 12.521 ( 1.242 -4.209 5.189) 6.796 12.756 ( 1.425 3.106 2.882) 4.470 12.975 ( 12.831 6.538 -2.477) 14.612 13.312 ( 5.474 9.016 -5.806) 12.040 13.693 ( -4.686 11.141 0.890) 12.119 14.054 ( -2.133 8.964 1.756) 9.380 14.705 ( -13.279 18.346 -6.485) 23.557 17.807 ( 10.583 10.882 -5.698) 16.214 18.588 ( -12.778 11.698 -10.352) 20.181 19.278 ( 15.812 -12.701 11.898) 23.514 19.878 ( -8.983 -9.261 5.375) 13.977 23.478 ( -0.056 -1.890 -5.125) 5.463 24.209 ( 2.222 -10.543 -1.107) 10.831 ======================= Grid point 360 (197/294) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( 2.663 -3.726 27.850) 28.224 3.124 ( -0.112 0.793 31.512) 31.522 4.473 ( -1.472 -8.752 -7.386) 11.547 5.016 ( -0.758 -0.180 0.302) 0.835 5.301 ( 0.906 6.696 0.729) 6.796 5.590 ( -5.526 10.946 -5.716) 13.528 6.057 ( 5.460 -6.415 7.277) 11.132 6.768 ( 1.002 -10.474 -7.683) 13.028 7.104 ( 3.629 -2.895 3.464) 5.792 7.779 ( -2.210 2.459 -0.020) 3.307 8.209 ( -6.448 2.927 -0.370) 7.091 8.915 ( -0.737 -6.598 1.498) 6.806 9.318 ( -2.333 -5.420 2.162) 6.284 9.991 ( 2.485 -27.652 11.956) 30.228 10.935 ( 6.283 -10.542 2.606) 12.546 11.381 ( 0.898 -16.344 0.897) 16.394 12.200 ( -6.089 3.999 -2.503) 7.703 12.486 ( -1.490 -6.829 3.970) 8.039 12.755 ( -3.842 1.660 -0.155) 4.188 13.182 ( 5.168 6.032 -8.444) 11.593 13.453 ( 1.172 11.816 -1.076) 11.922 13.730 ( -1.502 10.209 1.468) 10.423 14.133 ( -0.483 9.159 0.316) 9.177 14.747 ( -0.038 20.391 -3.128) 20.630 18.083 ( 13.091 12.857 -6.925) 19.612 18.418 ( -13.549 13.101 -9.709) 21.201 19.403 ( 3.698 -14.194 9.321) 17.378 19.718 ( -2.383 -8.074 7.557) 11.313 23.411 ( -1.481 -3.379 -4.403) 5.745 24.139 ( 2.758 -11.661 -1.054) 12.029 ======================= Grid point 361 (198/294) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.114 ( -1.715 -1.855 24.514) 24.644 3.455 ( 16.341 -4.519 24.707) 29.965 4.290 ( -2.070 -12.944 -11.851) 17.671 4.912 ( -4.819 -2.608 -7.533) 9.315 5.371 ( 1.123 2.340 2.159) 3.376 5.614 ( -4.877 14.513 0.301) 15.313 6.115 ( 2.870 -6.796 5.807) 9.388 6.605 ( -4.529 -8.074 -5.974) 11.018 7.096 ( -2.907 -2.203 -0.333) 3.663 7.784 ( -2.518 2.653 5.527) 6.627 8.168 ( -0.724 5.510 -5.019) 7.488 8.776 ( -3.653 -13.331 -0.752) 13.843 9.375 ( 6.350 1.817 6.254) 9.096 9.903 ( 6.135 -22.047 10.529) 25.191 10.827 ( -1.482 -13.279 -1.890) 13.495 11.414 ( 14.158 -13.897 7.378) 21.167 12.093 ( -9.759 4.344 -2.300) 10.927 12.396 ( -4.963 -6.257 3.062) 8.553 12.706 ( -2.622 1.337 -1.152) 3.161 13.168 ( -5.184 7.218 -9.375) 12.918 13.474 ( -8.461 8.784 -2.972) 12.553 13.832 ( -2.839 6.920 5.632) 9.363 14.272 ( 9.644 10.692 -2.965) 14.701 14.988 ( 7.056 17.421 -0.465) 18.801 18.195 ( -8.924 8.774 -8.687) 15.234 18.454 ( 8.969 14.811 -3.069) 17.585 19.268 ( -8.438 -9.271 6.130) 13.954 19.726 ( 5.315 -10.144 5.647) 12.769 23.325 ( -1.970 -3.460 -3.206) 5.112 24.070 ( 2.791 -11.002 -1.463) 11.445 ======================= Grid point 362 (199/294) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.248 ( 3.977 0.495 15.385) 15.899 3.811 ( 17.292 -7.466 19.735) 27.281 4.032 ( -3.995 -13.108 -13.948) 19.553 4.773 ( -4.469 -1.334 -7.685) 8.989 5.401 ( 0.130 -1.285 3.272) 3.518 5.687 ( -3.139 13.154 0.515) 13.533 6.073 ( -0.554 -9.341 1.531) 9.481 6.421 ( -7.955 -4.867 -1.015) 9.381 6.987 ( -6.343 -2.489 -1.812) 7.050 7.790 ( -0.742 0.055 -0.989) 1.237 8.221 ( -1.353 9.374 2.597) 9.821 8.620 ( -2.782 -7.201 4.044) 8.715 9.544 ( 9.436 -0.628 -4.069) 10.295 9.864 ( 5.681 -15.615 4.855) 17.311 10.764 ( 8.698 -10.444 3.752) 14.100 11.547 ( 8.695 -10.884 5.219) 14.876 11.966 ( -7.203 2.302 0.276) 7.567 12.248 ( -8.044 -5.492 1.990) 9.942 12.689 ( 0.019 0.718 -1.625) 1.777 13.080 ( -8.528 8.474 -6.537) 13.685 13.370 ( -8.932 7.026 -4.463) 12.209 13.804 ( -8.086 1.522 5.714) 10.017 14.566 ( 13.401 10.624 -1.405) 17.159 15.240 ( 6.400 12.335 0.020) 13.896 18.054 ( -10.863 5.378 -4.122) 12.803 18.710 ( 6.384 10.187 1.559) 12.122 19.113 ( -5.411 -2.340 1.556) 6.097 19.723 ( 4.234 -11.445 1.673) 12.317 23.257 ( -1.218 -1.663 -2.193) 3.009 24.010 ( 2.439 -8.493 -2.065) 9.075 ======================= Grid point 363 (200/294) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.420 ( 6.610 2.955 6.358) 9.636 3.766 ( -4.826 -8.445 -11.463) 15.034 4.114 ( 15.253 -8.709 14.665) 22.881 4.637 ( -5.302 -0.182 -9.896) 11.228 5.416 ( 1.154 -2.661 5.883) 6.559 5.697 ( -6.882 5.375 -2.360) 9.046 6.013 ( 1.626 -3.581 -1.902) 4.368 6.262 ( -5.833 -5.312 4.686) 9.176 6.835 ( -6.858 -4.980 -1.552) 8.616 7.747 ( -1.467 -1.174 -3.758) 4.202 8.281 ( -4.517 8.825 3.635) 10.559 8.659 ( 2.323 5.412 11.910) 13.287 9.483 ( -1.150 -12.413 -12.978) 17.996 9.968 ( 13.907 0.626 -2.505) 14.145 10.923 ( 14.507 -7.655 6.236) 17.548 11.484 ( -9.792 -0.041 -1.970) 9.989 11.962 ( 6.237 -8.466 6.004) 12.109 12.077 ( -7.500 -5.218 1.177) 9.212 12.673 ( -2.780 2.305 -4.223) 5.557 12.986 ( -7.930 6.917 -0.646) 10.543 13.304 ( -3.304 4.676 -2.557) 6.270 13.710 ( -6.492 -2.064 5.477) 8.741 14.827 ( 7.773 7.969 -0.253) 11.135 15.412 ( 3.717 7.227 -0.153) 8.128 17.901 ( -9.466 -0.225 0.223) 9.472 18.823 ( -2.999 4.051 6.418) 8.160 19.094 ( 2.247 2.521 -3.080) 4.570 19.691 ( 4.233 -8.727 -1.595) 9.829 23.236 ( 0.409 1.133 -1.593) 1.997 23.971 ( 2.208 -4.600 -2.605) 5.729 ======================= Grid point 364 (201/294) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.514 ( -7.104 6.420 -2.308) 9.849 3.657 ( 9.542 -4.792 -2.681) 11.009 4.304 ( 6.114 -3.087 0.890) 6.907 4.499 ( -2.182 -0.897 -4.598) 5.168 5.412 ( -4.704 -7.168 8.677) 12.199 5.635 ( -2.100 6.934 -1.319) 7.364 5.959 ( -0.444 -5.055 -6.696) 8.402 6.250 ( 4.387 -3.807 7.046) 9.131 6.658 ( -6.558 -8.441 1.009) 10.736 7.702 ( -2.170 2.011 -1.955) 3.546 8.316 ( -2.444 9.882 0.079) 10.180 8.840 ( -0.716 7.037 11.077) 13.143 9.263 ( -1.238 -8.410 -8.909) 12.314 10.188 ( 11.336 6.519 -9.372) 16.088 11.054 ( 1.642 0.501 -1.569) 2.326 11.335 ( -3.797 -0.932 0.607) 3.956 11.912 ( -4.689 -5.570 0.543) 7.301 12.029 ( 6.304 -12.220 4.183) 14.372 12.589 ( -6.840 5.218 -3.912) 9.451 12.984 ( 0.367 1.100 6.450) 6.553 13.295 ( -1.484 2.152 -0.544) 2.670 13.646 ( -1.014 -4.201 4.079) 5.943 14.936 ( -1.252 3.735 0.030) 3.939 15.503 ( 1.716 4.041 -0.400) 4.409 17.760 ( -5.911 -5.510 4.076) 9.050 18.808 ( -3.785 -1.903 3.285) 5.361 19.141 ( 1.993 3.009 -0.337) 3.625 19.693 ( 3.747 -2.071 -3.356) 5.440 23.267 ( 1.816 3.117 -1.363) 3.857 23.971 ( 2.655 -0.110 -2.954) 3.974 ======================= Grid point 365 (202/294) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.430 ( -11.058 11.499 2.416) 16.135 3.773 ( 4.857 -1.253 -5.107) 7.159 4.220 ( -5.512 6.914 -11.105) 14.195 4.595 ( 11.250 -4.874 6.455) 13.856 5.261 ( -8.334 -7.061 5.104) 12.057 5.697 ( -0.472 3.859 1.479) 4.159 5.870 ( 0.959 -7.106 -4.141) 8.280 6.343 ( 6.294 -4.848 2.629) 8.368 6.531 ( -0.055 -6.631 6.127) 9.028 7.676 ( -4.952 4.177 -0.443) 6.494 8.401 ( 3.153 10.895 -5.339) 12.536 8.774 ( -4.996 -8.509 -3.535) 10.481 9.292 ( -1.347 11.974 8.566) 14.784 10.290 ( -0.298 9.006 -10.426) 13.781 11.025 ( -5.186 8.619 -4.807) 11.149 11.351 ( 6.175 -1.912 -1.260) 6.586 11.822 ( 0.594 -7.628 1.879) 7.878 11.979 ( -0.399 -10.573 -0.137) 10.581 12.565 ( -0.109 3.238 1.899) 3.755 13.057 ( 3.649 -3.685 7.629) 9.225 13.280 ( -1.804 0.117 2.059) 2.740 13.637 ( 3.330 -6.497 0.055) 7.301 14.866 ( -8.833 -0.371 0.765) 8.874 15.541 ( -0.862 3.297 -1.264) 3.635 17.673 ( -0.357 -9.099 7.561) 11.836 18.688 ( -3.502 -12.303 -1.136) 12.842 19.249 ( 3.038 10.228 3.100) 11.111 19.707 ( 0.260 2.049 -4.222) 4.700 23.323 ( 2.322 3.167 -1.672) 4.268 24.022 ( 3.747 3.785 -2.821) 6.027 ======================= Grid point 370 (203/294) ======================= q-point: ( 0.25 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( -13.948 6.906 12.048) 19.682 3.651 ( -14.744 0.103 19.359) 24.334 4.666 ( 0.215 2.440 -0.771) 2.568 4.841 ( 0.222 1.183 7.972) 8.062 5.095 ( 3.246 -1.864 -2.761) 4.652 5.719 ( -1.111 1.402 -0.108) 1.792 5.859 ( 6.889 -5.570 3.791) 9.636 6.560 ( 5.798 -10.060 0.216) 11.613 6.844 ( 6.627 -2.300 4.079) 8.114 7.718 ( 4.103 4.392 -1.084) 6.107 8.271 ( 1.565 5.205 -2.318) 5.909 9.129 ( 7.452 -5.066 -11.092) 14.290 9.778 ( -17.845 3.824 2.777) 18.460 10.167 ( 0.692 -19.698 5.542) 20.475 10.632 ( -1.478 -4.138 3.540) 5.643 11.863 ( -5.710 -15.030 -0.235) 16.080 12.033 ( 12.381 5.889 -1.198) 13.763 12.261 ( 13.395 -2.057 -1.866) 13.680 12.636 ( 0.675 4.266 2.528) 5.005 12.811 ( 0.504 2.246 3.151) 3.902 13.199 ( 0.102 1.108 0.038) 1.113 13.674 ( 4.658 9.551 7.112) 12.787 14.254 ( -8.282 5.667 -3.600) 10.661 15.188 ( -13.272 10.603 -5.952) 18.000 17.644 ( 0.109 6.407 0.304) 6.415 18.463 ( 18.348 -10.024 18.838) 28.142 19.196 ( -10.360 8.153 -13.454) 18.837 20.054 ( -1.726 -6.824 1.107) 7.125 23.434 ( 2.402 -0.500 -5.039) 5.604 24.171 ( 0.170 -7.273 -3.139) 7.924 ======================= Grid point 371 (204/294) ======================= q-point: ( 0.33 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( -4.349 3.265 19.672) 20.410 3.541 ( -15.014 -1.027 25.433) 29.552 4.539 ( -3.145 -9.981 -7.744) 13.018 4.985 ( 1.801 4.267 6.243) 7.774 5.144 ( 7.070 0.227 -4.247) 8.251 5.718 ( -1.038 4.450 0.159) 4.572 5.921 ( 3.821 -3.455 1.913) 5.495 6.568 ( 7.181 -10.410 0.000) 12.647 6.954 ( 5.676 -1.983 4.531) 7.529 7.754 ( 1.112 2.882 -8.142) 8.708 8.366 ( 0.878 6.845 2.488) 7.335 9.072 ( -1.108 -5.683 -7.923) 9.814 9.524 ( -15.006 -3.085 3.661) 15.751 9.962 ( 0.053 -27.144 5.974) 27.794 10.687 ( 3.793 -1.123 9.194) 10.008 11.589 ( -8.523 -17.127 -0.505) 19.138 12.195 ( 6.445 1.211 -2.725) 7.101 12.456 ( 7.744 -3.126 2.983) 8.867 12.692 ( 5.485 0.391 -2.913) 6.223 12.919 ( 3.608 9.758 1.233) 10.477 13.250 ( 5.668 4.510 -3.134) 7.892 13.831 ( -0.310 6.427 4.078) 7.618 14.219 ( -4.550 13.203 -0.943) 13.997 15.043 ( -13.696 13.100 -4.607) 19.504 17.766 ( 5.023 11.479 -1.492) 12.619 18.727 ( 6.354 -0.613 7.404) 9.776 19.072 ( -0.186 0.462 -3.426) 3.462 19.929 ( -5.004 -9.444 2.419) 10.958 23.416 ( 1.063 -2.573 -5.564) 6.222 24.082 ( 0.447 -9.519 -1.619) 9.666 ======================= Grid point 372 (205/294) ======================= q-point: ( 0.42 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.048 ( 2.904 -2.332 21.845) 22.160 3.457 ( -13.081 -2.838 28.541) 31.524 4.334 ( -1.471 -13.294 -11.313) 17.518 5.016 ( -0.482 -0.690 -2.041) 2.208 5.232 ( 6.135 -1.667 -2.864) 6.973 5.787 ( -1.750 12.873 0.212) 12.993 5.961 ( 3.995 -3.721 4.001) 6.768 6.584 ( 5.295 -8.373 -1.419) 10.008 7.033 ( 4.201 -2.206 1.490) 4.974 7.774 ( 3.373 4.469 -5.105) 7.577 8.365 ( -8.177 2.770 -1.833) 8.826 8.909 ( -6.293 -7.151 -4.350) 10.472 9.365 ( -3.982 -1.641 6.317) 7.645 9.780 ( 1.616 -25.711 11.790) 28.332 10.788 ( 4.334 -5.214 8.505) 10.877 11.290 ( -7.358 -17.091 0.768) 18.623 12.243 ( 0.794 0.479 -3.266) 3.395 12.466 ( -0.690 -5.955 3.139) 6.767 12.772 ( 3.760 -0.594 -1.696) 4.167 13.082 ( 6.681 9.395 -6.751) 13.359 13.438 ( 10.487 10.009 -3.911) 15.015 13.849 ( -2.850 3.994 -0.138) 4.909 14.293 ( -5.094 13.366 2.337) 14.493 14.976 ( -7.589 16.357 -2.274) 18.174 17.984 ( 9.318 12.951 -4.422) 16.556 18.697 ( -11.356 11.976 -7.542) 18.146 19.176 ( 11.674 -11.570 8.254) 18.393 19.773 ( -5.813 -8.636 5.562) 11.803 23.360 ( 0.047 -3.976 -4.915) 6.322 23.995 ( 1.087 -10.629 0.128) 10.685 ======================= Grid point 373 (206/294) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.202 ( 4.655 -7.761 20.848) 22.727 3.438 ( -3.413 -4.907 26.122) 26.797 4.111 ( -1.207 -13.890 -13.191) 19.193 4.948 ( -4.919 0.929 -4.729) 6.886 5.300 ( 6.386 -3.961 1.786) 7.724 5.852 ( -4.856 12.857 -0.955) 13.776 6.019 ( 3.782 -3.848 0.750) 5.447 6.557 ( 0.283 -4.988 -0.735) 5.049 7.064 ( 2.186 -2.115 -2.807) 4.139 7.872 ( 1.549 5.985 0.730) 6.225 8.202 ( -5.779 0.848 -6.849) 9.001 8.719 ( -4.211 -10.004 -1.193) 10.919 9.400 ( 0.665 1.710 7.085) 7.318 9.691 ( 3.717 -20.399 16.069) 26.232 10.750 ( -3.890 -11.114 0.965) 11.815 11.150 ( 6.818 -13.713 7.634) 17.112 12.199 ( -3.486 -0.709 -2.293) 4.232 12.412 ( -1.678 -4.035 1.081) 4.502 12.767 ( -2.663 1.112 -1.318) 3.173 13.184 ( 2.523 6.914 -10.989) 13.226 13.622 ( -0.384 7.944 -2.860) 8.452 13.905 ( 5.947 7.313 0.554) 9.442 14.296 ( -5.805 8.614 -1.509) 10.496 15.085 ( 1.268 16.435 0.827) 16.504 18.203 ( 6.767 10.089 -9.592) 15.479 18.617 ( -7.855 15.294 -1.934) 17.302 19.214 ( 3.431 -13.094 0.978) 13.572 19.677 ( -2.569 -7.365 9.218) 12.076 23.295 ( -0.482 -3.632 -2.965) 4.713 23.925 ( 1.901 -10.229 1.178) 10.471 ======================= Grid point 374 (207/294) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.288 ( 1.524 -6.338 17.252) 18.443 3.590 ( 11.934 -10.632 20.230) 25.782 3.894 ( -2.273 -9.691 -11.044) 14.868 4.837 ( -6.967 2.115 -4.204) 8.408 5.369 ( 3.729 -3.715 4.032) 6.631 5.874 ( -4.458 10.262 -3.245) 11.649 5.989 ( -0.285 -5.651 -1.556) 5.869 6.492 ( -4.729 -2.564 0.492) 5.402 7.014 ( -2.522 -3.084 -4.903) 6.318 7.843 ( -6.331 2.474 -3.416) 7.607 8.248 ( 8.050 5.744 -2.038) 10.098 8.607 ( -0.054 -5.991 3.546) 6.962 9.442 ( 0.865 -5.247 3.570) 6.405 9.699 ( 3.803 -10.456 13.572) 17.550 10.609 ( 1.228 -8.805 1.339) 8.991 11.258 ( 13.409 -14.040 9.230) 21.497 12.105 ( -5.957 0.115 -2.246) 6.367 12.333 ( -5.499 -2.095 -0.241) 5.889 12.718 ( -3.282 1.604 -1.314) 3.882 13.181 ( -1.844 6.262 -9.356) 11.408 13.561 ( -9.225 6.324 -6.171) 12.774 14.004 ( -8.051 3.310 6.631) 10.943 14.395 ( 13.774 8.408 -6.505) 17.399 15.278 ( 4.045 11.885 1.697) 12.669 18.211 ( -6.150 6.476 -10.495) 13.781 18.744 ( 3.270 13.364 3.305) 14.150 19.110 ( 0.132 -8.967 -4.234) 9.918 19.628 ( -1.455 -8.668 7.933) 11.840 23.249 ( -0.577 -1.450 -0.934) 1.819 23.885 ( 2.634 -7.881 1.589) 8.460 ======================= Grid point 375 (208/294) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.374 ( 4.719 -3.995 10.389) 12.090 3.702 ( 0.210 -5.345 -7.064) 8.861 3.849 ( 12.715 -11.273 15.001) 22.667 4.720 ( -7.383 3.707 -4.519) 9.416 5.402 ( 1.519 -2.528 4.936) 5.750 5.816 ( -4.995 1.519 -6.787) 8.563 5.961 ( -0.352 0.523 -0.472) 0.788 6.350 ( -8.166 -4.882 1.308) 9.603 6.880 ( -5.889 -4.216 -4.592) 8.576 7.764 ( -3.056 2.385 -3.521) 5.237 8.397 ( 2.486 5.777 -0.304) 6.297 8.692 ( 7.506 3.397 8.961) 12.173 9.331 ( -2.756 -12.953 -4.751) 14.070 9.803 ( 7.374 -0.287 8.794) 11.480 10.684 ( 11.479 -3.884 5.284) 13.220 11.378 ( 10.950 -14.543 6.447) 19.313 11.989 ( -7.261 1.218 -2.311) 7.716 12.188 ( -9.477 -1.168 -1.319) 9.639 12.689 ( -1.053 0.805 -0.811) 1.554 13.147 ( -4.225 6.414 -5.636) 9.526 13.422 ( -8.571 5.723 -7.111) 12.521 13.868 ( -11.733 -1.796 4.985) 12.874 14.689 ( 15.252 5.749 -3.752) 16.726 15.432 ( 2.894 6.769 1.412) 7.496 18.056 ( -10.678 1.927 -6.731) 12.769 18.863 ( 0.504 -1.133 -0.146) 1.249 19.087 ( 3.391 3.613 -1.994) 5.341 19.575 ( 0.471 -6.814 4.799) 8.347 23.243 ( -0.003 1.682 0.175) 1.691 23.883 ( 2.834 -4.054 1.623) 5.206 ======================= Grid point 376 (209/294) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.462 ( 6.507 -7.142 2.800) 10.059 3.655 ( -1.517 8.346 -2.830) 8.942 4.040 ( 14.537 -11.931 7.930) 20.410 4.620 ( -7.871 5.866 -3.111) 10.298 5.436 ( 0.317 -3.956 7.297) 8.306 5.726 ( -3.045 4.179 -5.291) 7.398 5.894 ( -3.706 -4.250 -7.314) 9.235 6.228 ( -2.050 -4.905 5.103) 7.369 6.702 ( -7.426 -5.811 -2.141) 9.669 7.754 ( -1.314 5.364 -0.392) 5.536 8.448 ( -2.093 6.472 -1.023) 6.879 8.878 ( 1.900 -3.830 3.289) 5.394 9.191 ( 3.557 0.421 -0.379) 3.602 10.018 ( 11.451 4.377 2.584) 12.528 10.894 ( 12.353 -1.638 3.942) 13.070 11.390 ( 1.273 -9.301 1.879) 9.574 11.873 ( -4.994 -4.138 0.527) 6.507 12.028 ( -7.069 0.406 -2.669) 7.567 12.671 ( -1.992 0.792 -1.274) 2.493 13.088 ( -6.607 5.074 -1.266) 8.426 13.346 ( -1.932 4.345 -5.283) 7.108 13.688 ( -8.594 -6.217 3.748) 11.250 14.900 ( 8.073 1.249 -1.837) 8.374 15.518 ( 1.323 3.633 0.877) 3.965 17.844 ( -9.661 -3.746 -4.032) 11.119 18.791 ( -1.756 -9.946 -0.723) 10.125 19.174 ( 1.813 6.487 -0.379) 6.747 19.608 ( 4.175 0.316 2.257) 4.756 23.279 ( 0.658 4.049 0.328) 4.116 23.919 ( 2.813 0.210 1.179) 3.058 ======================= Grid point 377 (210/294) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.514 ( 7.575 -3.875 -1.056) 8.574 3.760 ( -0.175 13.590 2.888) 13.895 4.178 ( 9.535 -3.835 -5.366) 11.594 4.545 ( -5.051 3.154 3.012) 6.673 5.358 ( -7.873 -5.818 2.613) 10.132 5.686 ( -0.651 -8.802 -5.104) 10.195 5.821 ( 1.408 6.108 0.941) 6.339 6.230 ( 3.522 -4.146 1.696) 5.699 6.539 ( -4.805 -5.239 2.630) 7.579 7.790 ( -2.954 6.363 1.393) 7.152 8.430 ( -1.824 1.241 -7.323) 7.648 8.754 ( -4.970 -3.900 -1.787) 6.565 9.429 ( 8.131 11.956 7.926) 16.488 10.238 ( 8.364 6.807 -3.374) 11.300 11.074 ( 8.762 0.962 1.358) 8.919 11.304 ( -5.197 -1.712 0.622) 5.507 11.751 ( -2.517 -8.375 0.976) 8.799 11.945 ( -2.685 -0.371 -2.311) 3.562 12.628 ( -2.898 1.446 -0.247) 3.248 13.045 ( -1.947 0.371 1.490) 2.479 13.344 ( -1.258 3.226 -1.415) 3.740 13.532 ( -2.633 -10.341 0.467) 10.681 14.939 ( -1.171 -3.043 0.365) 3.280 15.565 ( 0.632 2.964 -0.336) 3.049 17.655 ( -4.525 -7.839 -0.943) 9.100 18.620 ( -4.723 -15.545 2.135) 16.386 19.293 ( 4.653 10.366 -2.371) 11.607 19.698 ( 2.460 3.444 1.110) 4.375 23.331 ( 0.530 4.352 -0.228) 4.390 23.991 ( 3.272 3.786 0.247) 5.010 ======================= Grid point 383 (211/294) ======================= q-point: ( 0.25 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.259 ( -14.207 5.334 2.739) 15.420 3.886 ( -6.137 -0.376 3.690) 7.171 4.597 ( 8.281 -3.144 -6.489) 10.980 4.803 ( 1.575 -3.631 -1.449) 4.215 5.108 ( -3.856 -0.341 8.195) 9.063 5.675 ( 6.774 -4.230 8.078) 11.360 5.838 ( -4.809 0.503 0.538) 4.865 6.424 ( 3.745 -4.713 1.102) 6.119 6.712 ( 8.319 -5.373 5.602) 11.378 7.709 ( 2.657 5.560 0.507) 6.183 8.279 ( 1.945 7.164 -3.819) 8.349 8.887 ( 8.699 -2.244 -11.088) 14.271 9.826 ( 0.690 -13.897 -8.131) 16.116 10.266 ( -17.551 -0.101 -0.632) 17.563 10.698 ( -2.284 1.770 4.720) 5.534 11.732 ( 5.134 -12.747 -6.649) 15.266 11.902 ( 8.977 2.894 4.362) 10.392 12.042 ( 5.488 -4.519 1.595) 7.286 12.669 ( -0.848 0.343 -0.088) 0.919 12.877 ( 1.442 8.354 4.753) 9.719 13.218 ( -3.164 -4.416 3.535) 6.481 13.745 ( 4.538 9.150 12.897) 16.452 14.382 ( -4.803 4.429 -5.351) 8.445 15.415 ( -8.264 7.235 -3.950) 11.672 17.743 ( -2.314 6.907 3.629) 8.138 18.198 ( 16.818 -9.137 20.961) 28.385 19.358 ( -9.546 7.701 -12.892) 17.794 19.987 ( 1.022 -7.996 -2.079) 8.325 23.371 ( 1.077 -0.033 -4.484) 4.612 24.102 ( -1.349 -4.567 -4.672) 6.671 ======================= Grid point 384 (212/294) ======================= q-point: ( 0.33 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( -8.787 4.494 10.508) 14.416 3.819 ( -6.261 -1.881 10.296) 12.196 4.450 ( -5.269 -16.517 -4.147) 17.826 4.887 ( 8.994 1.704 -14.519) 17.164 5.124 ( -1.700 2.935 10.164) 10.715 5.741 ( 1.659 -5.342 9.373) 10.916 5.839 ( 3.965 2.622 -3.303) 5.789 6.438 ( 2.768 -5.162 3.352) 6.748 6.837 ( 8.249 -4.136 3.924) 10.027 7.737 ( -0.894 3.348 -6.293) 7.184 8.411 ( 3.655 9.226 0.633) 9.943 8.925 ( 5.817 -3.299 -6.996) 9.678 9.630 ( -1.922 -17.205 -5.181) 18.070 9.914 ( -17.855 -6.337 -0.547) 18.954 10.765 ( -1.149 3.584 12.042) 12.617 11.565 ( -6.523 -13.353 -0.630) 14.875 12.051 ( 8.611 -2.597 1.049) 9.055 12.231 ( 16.065 -1.039 -1.711) 16.190 12.646 ( -1.096 -0.539 -1.974) 2.321 12.986 ( 0.682 8.920 0.953) 8.996 13.195 ( 2.315 -0.198 0.476) 2.372 13.885 ( 0.441 -0.504 6.439) 6.474 14.407 ( -1.865 16.292 -1.135) 16.438 15.317 ( -10.259 8.506 -2.931) 13.646 17.815 ( 1.386 8.366 0.709) 8.510 18.539 ( 17.051 -5.474 19.741) 26.654 19.191 ( -10.167 7.599 -12.335) 17.699 19.891 ( -1.015 -9.920 -0.986) 10.020 23.344 ( 0.453 -2.289 -5.187) 5.688 24.007 ( -1.509 -5.933 -2.236) 6.517 ======================= Grid point 385 (213/294) ======================= q-point: ( 0.42 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( -4.197 0.235 14.414) 15.014 3.762 ( -8.769 -3.954 18.227) 20.610 4.167 ( -4.322 -16.727 -8.619) 19.307 4.926 ( 6.973 -2.432 -9.002) 11.644 5.179 ( -1.496 3.147 2.956) 4.570 5.810 ( 5.006 -4.087 8.739) 10.869 5.919 ( 3.952 6.128 -5.321) 9.026 6.465 ( 3.363 -4.083 2.899) 6.032 6.932 ( 6.092 -3.152 0.130) 6.861 7.730 ( 2.055 3.139 -4.831) 6.117 8.470 ( -3.888 2.814 -4.909) 6.865 8.911 ( -2.456 -0.996 -5.394) 6.010 9.417 ( -2.501 -12.095 0.020) 12.351 9.662 ( -5.722 -10.951 9.993) 15.891 10.832 ( -2.907 -0.024 13.694) 13.999 11.293 ( -10.507 -14.605 1.595) 18.062 12.156 ( 6.575 -1.488 -3.212) 7.468 12.404 ( 6.441 -5.520 2.774) 8.925 12.634 ( 5.481 -0.604 -4.899) 7.376 13.087 ( 1.401 10.320 -5.659) 11.853 13.309 ( 10.206 5.079 -2.411) 11.652 13.880 ( -0.363 -2.013 -0.223) 2.058 14.533 ( -4.558 15.819 3.009) 16.736 15.229 ( -8.835 10.508 -1.467) 13.807 17.952 ( 5.937 9.284 -2.883) 11.391 18.817 ( 7.329 -0.622 9.514) 12.026 19.053 ( -4.740 3.387 -6.020) 8.377 19.776 ( -1.915 -9.212 2.122) 9.645 23.289 ( 0.181 -3.426 -4.706) 5.824 23.921 ( -1.373 -6.722 1.002) 6.933 ======================= Grid point 386 (214/294) ======================= q-point: ( 0.50 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( 0.132 -6.343 15.093) 16.373 3.665 ( -11.128 -7.859 22.063) 25.930 3.936 ( -0.882 -11.169 -9.509) 14.695 4.976 ( 3.853 0.790 -4.336) 5.854 5.187 ( 1.028 -0.903 2.454) 2.810 5.874 ( 3.555 -6.730 4.637) 8.913 6.019 ( 1.810 10.672 -6.179) 12.464 6.497 ( 2.986 -2.579 0.841) 4.034 6.975 ( 3.748 -2.030 -4.019) 5.858 7.823 ( 7.685 3.162 -1.204) 8.397 8.295 ( -10.354 -2.154 -10.334) 14.786 8.740 ( -9.332 -3.833 -4.450) 11.027 9.367 ( 3.896 -8.144 4.734) 10.194 9.642 ( 0.906 -6.364 19.467) 20.501 10.792 ( -8.588 -6.866 7.662) 13.401 11.049 ( -3.612 -11.700 6.880) 14.046 12.181 ( 1.506 -2.697 -3.137) 4.402 12.397 ( -0.253 -3.559 0.637) 3.624 12.732 ( 6.777 -0.636 -2.441) 7.231 13.147 ( 1.509 9.007 -10.831) 14.168 13.559 ( 13.368 7.431 -3.848) 15.771 13.862 ( 1.553 0.848 -3.559) 3.974 14.536 ( -11.037 8.660 1.750) 14.137 15.239 ( -2.737 12.002 0.792) 12.335 18.125 ( 7.861 9.131 -7.682) 14.289 18.853 ( -6.353 9.656 -1.728) 11.686 19.035 ( 3.353 -8.096 -0.605) 8.784 19.700 ( -1.426 -7.619 7.512) 10.794 23.243 ( 0.643 -2.672 -2.583) 3.771 23.853 ( -0.927 -6.523 3.682) 7.547 ======================= Grid point 387 (215/294) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.235 ( 4.915 -10.610 13.518) 17.874 3.561 ( -5.178 -11.665 20.172) 23.870 3.813 ( -1.101 -2.911 -4.633) 5.582 4.960 ( -5.664 3.594 -2.013) 7.003 5.264 ( 7.191 -2.830 3.899) 8.656 5.863 ( 1.144 -6.958 0.633) 7.080 6.062 ( -3.268 9.483 -6.133) 11.757 6.515 ( 0.165 -0.739 -0.990) 1.246 6.962 ( 0.936 -2.661 -6.672) 7.244 7.938 ( -1.043 -0.927 -3.504) 3.772 8.109 ( 3.483 2.811 -8.156) 9.303 8.577 ( -2.513 -4.410 -0.783) 5.136 9.386 ( 2.011 -9.548 8.285) 12.801 9.738 ( -0.305 -2.036 19.947) 20.053 10.590 ( -7.020 -6.902 2.868) 10.254 11.039 ( 5.634 -10.098 10.134) 15.376 12.133 ( -1.542 -2.980 -2.417) 4.135 12.368 ( -1.132 -0.534 -1.235) 1.758 12.768 ( -0.633 0.699 -1.456) 1.735 13.173 ( 1.077 6.719 -12.210) 13.979 13.673 ( -2.847 3.708 -6.121) 7.702 14.017 ( 15.164 4.893 -1.029) 15.967 14.395 ( -11.832 4.175 -2.390) 12.772 15.342 ( 1.433 8.751 1.920) 9.073 18.242 ( 2.472 8.491 -11.983) 14.892 18.848 ( -1.668 1.556 -3.245) 3.966 18.978 ( 0.649 -1.603 -1.437) 2.249 19.655 ( -2.653 -7.475 9.792) 12.601 23.233 ( 0.936 -0.430 0.012) 1.030 23.821 ( 0.254 -4.661 5.280) 7.047 ======================= Grid point 388 (216/294) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.305 ( 5.556 -9.666 10.928) 15.611 3.527 ( 4.528 -15.782 12.471) 20.619 3.799 ( -0.435 3.676 3.240) 4.920 4.870 ( -7.982 4.452 -1.353) 9.239 5.367 ( 4.432 -1.093 3.797) 5.938 5.800 ( -0.770 -5.382 -1.960) 5.780 6.035 ( -4.838 5.713 -5.649) 9.378 6.436 ( -6.805 -2.656 -1.984) 7.570 6.877 ( -2.330 -3.341 -7.522) 8.554 7.831 ( -3.737 2.319 -4.373) 6.202 8.281 ( 12.253 2.986 -5.055) 13.587 8.597 ( 7.955 -0.909 1.517) 8.149 9.303 ( -5.995 -10.630 6.444) 13.801 9.829 ( 0.389 -2.435 18.820) 18.981 10.566 ( 4.596 1.317 4.479) 6.551 11.117 ( 8.989 -11.788 8.509) 17.093 12.057 ( -3.254 -1.139 -3.346) 4.804 12.311 ( -5.780 1.197 -2.549) 6.430 12.731 ( -3.233 1.405 -1.323) 3.765 13.170 ( 0.787 4.167 -8.920) 9.877 13.564 ( -8.179 4.166 -9.151) 12.962 14.103 ( -13.648 -1.287 6.091) 15.001 14.421 ( 17.816 4.064 -8.567) 20.182 15.450 ( 2.639 4.171 2.183) 5.397 18.188 ( -8.352 4.771 -11.638) 15.098 18.750 ( 3.435 -8.497 -12.582) 15.566 19.080 ( 2.798 6.862 6.436) 9.815 19.594 ( -3.100 -5.872 8.661) 10.914 23.263 ( 0.781 2.472 1.595) 3.044 23.841 ( 1.577 -1.551 5.816) 6.223 ======================= Grid point 389 (217/294) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.327 ( 3.047 -12.517 7.679) 14.998 3.588 ( 12.081 -8.736 2.682) 15.148 3.888 ( 1.787 4.204 7.860) 9.091 4.793 ( -7.266 6.541 -0.170) 9.778 5.430 ( 1.705 -1.319 3.845) 4.408 5.729 ( -1.372 -2.640 -3.760) 4.795 5.919 ( -6.527 -0.520 -8.411) 10.660 6.283 ( -6.781 -2.802 1.329) 7.457 6.744 ( -5.049 -3.089 -6.147) 8.533 7.836 ( -0.557 7.142 0.764) 7.205 8.418 ( 6.173 -0.759 -6.134) 8.735 8.779 ( 10.238 -0.436 0.224) 10.250 9.163 ( -2.371 -1.884 3.695) 4.777 9.956 ( 5.400 -2.635 16.806) 17.848 10.752 ( 9.360 3.937 4.802) 11.233 11.197 ( 8.498 -10.899 6.411) 15.235 11.966 ( -5.410 1.302 -4.266) 7.012 12.168 ( -10.548 2.271 -4.456) 11.673 12.693 ( -1.735 0.040 -0.411) 1.783 13.175 ( 0.356 2.774 -4.451) 5.257 13.404 ( -8.049 3.620 -10.288) 13.555 13.858 ( -14.920 -4.375 3.373) 15.910 14.688 ( 15.768 -0.444 -4.364) 16.367 15.527 ( 2.021 1.479 2.315) 3.411 17.946 ( -12.403 -2.730 -11.662) 17.242 18.682 ( 3.002 -7.608 -6.176) 10.248 19.188 ( 1.261 3.193 2.414) 4.197 19.600 ( 1.708 0.844 6.784) 7.047 23.318 ( 0.503 4.774 1.677) 5.085 23.906 ( 2.093 1.650 5.327) 5.957 ======================= Grid point 390 (218/294) ======================= q-point: (-0.17 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.318 ( 7.469 -11.443 3.011) 13.993 3.765 ( 14.246 -1.026 -1.357) 14.347 4.007 ( 3.042 3.556 6.520) 8.025 4.734 ( -8.925 7.380 -0.102) 11.582 5.418 ( -3.340 -4.016 1.277) 5.377 5.589 ( -3.712 -9.751 -7.227) 12.692 5.861 ( 1.486 4.746 1.120) 5.098 6.195 ( -2.542 -1.847 0.685) 3.216 6.604 ( -5.640 -1.124 -2.902) 6.442 7.910 ( -2.175 7.655 2.466) 8.332 8.370 ( -0.722 -7.628 -6.734) 10.200 8.837 ( -2.330 3.321 1.998) 4.522 9.332 ( 14.466 8.159 -2.380) 16.778 10.141 ( 8.957 -3.224 12.227) 15.496 10.938 ( 8.232 -1.176 3.466) 9.009 11.284 ( 5.962 -1.358 5.351) 8.126 11.847 ( -9.768 3.017 -2.834) 10.609 12.008 ( -6.799 2.505 -5.518) 9.108 12.659 ( -1.512 -1.809 0.012) 2.357 13.137 ( -6.309 2.323 -3.499) 7.579 13.293 ( 0.900 -2.031 -7.676) 7.990 13.615 ( -11.882 -4.282 3.411) 13.083 14.840 ( 8.224 -5.104 -1.486) 9.792 15.575 ( 1.127 1.376 1.384) 2.254 17.658 ( -8.316 -6.967 -9.408) 14.360 18.583 ( -3.813 -12.178 4.505) 13.533 19.266 ( 5.030 7.319 -5.160) 10.271 19.708 ( 3.049 3.754 4.901) 6.885 23.377 ( -0.261 5.260 0.766) 5.322 23.995 ( 2.140 4.031 3.680) 5.863 ======================= Grid point 395 (219/294) ======================= q-point: ( 0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.467 ( -4.835 2.987 -2.996) 6.425 3.913 ( -1.690 -3.749 -9.870) 10.692 4.258 ( 14.633 -8.148 -12.591) 20.953 4.816 ( -4.851 -2.759 4.320) 7.057 5.240 ( -1.557 4.620 9.028) 10.260 5.587 ( 4.377 -4.862 9.344) 11.407 5.930 ( -4.918 -1.430 -1.586) 5.362 6.357 ( 1.532 -2.525 2.482) 3.858 6.579 ( 5.620 -5.439 8.144) 11.291 7.740 ( 2.224 7.371 2.892) 8.225 8.292 ( 1.976 7.178 -5.561) 9.293 8.703 ( 5.245 1.924 -9.206) 10.769 9.604 ( 2.593 -14.960 -8.564) 17.432 10.453 ( -3.877 0.658 -9.811) 10.570 10.767 ( -5.790 4.841 -5.730) 9.476 11.428 ( 11.940 -6.656 -8.126) 15.903 11.858 ( 3.285 -0.819 7.790) 8.494 12.051 ( -6.918 -5.225 8.386) 12.062 12.675 ( 0.118 -0.498 0.885) 1.023 12.953 ( 2.251 9.096 3.602) 10.039 13.262 ( -5.199 -6.915 6.156) 10.618 13.851 ( 2.134 5.404 16.356) 17.357 14.422 ( 0.563 3.972 -6.002) 7.219 15.542 ( -3.540 4.337 -3.211) 6.453 17.820 ( 1.024 -5.784 8.031) 9.950 18.080 ( 7.474 5.720 19.473) 21.628 19.474 ( -6.501 4.225 -11.875) 14.182 19.857 ( 2.604 -8.054 -4.883) 9.771 23.356 ( -1.521 1.298 -3.253) 3.818 24.073 ( -2.312 -1.405 -5.898) 6.489 ======================= Grid point 396 (220/294) ======================= q-point: ( 0.33 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.396 ( -8.487 5.224 4.409) 10.897 3.820 ( 2.390 -5.528 -7.623) 9.715 4.291 ( 5.412 -12.936 -5.322) 14.998 4.740 ( -0.423 0.005 -6.982) 6.995 5.288 ( -4.531 6.046 9.565) 12.189 5.669 ( 5.152 -6.411 8.523) 11.844 5.840 ( -2.520 0.013 -2.014) 3.226 6.370 ( 2.820 -4.523 2.118) 5.735 6.688 ( 7.440 -5.082 6.400) 11.052 7.773 ( -3.363 4.195 -4.358) 6.921 8.424 ( 5.288 8.335 -1.279) 9.953 8.786 ( 6.540 2.481 -1.918) 7.253 9.423 ( 0.229 -17.203 -7.164) 18.637 10.175 ( -17.867 0.533 -10.090) 20.527 10.837 ( 4.048 6.312 1.710) 7.691 11.505 ( 4.420 -6.593 -1.333) 8.048 11.940 ( 2.670 -5.318 6.182) 8.581 11.995 ( 6.564 -2.799 0.995) 7.205 12.665 ( -1.775 0.215 -0.481) 1.851 13.057 ( -0.681 5.732 0.053) 5.773 13.185 ( -0.593 -2.564 5.026) 5.673 13.895 ( -1.538 -7.190 6.033) 9.511 14.553 ( 3.070 16.717 0.757) 17.013 15.493 ( -5.862 4.630 -2.128) 7.767 17.832 ( 2.431 -2.894 3.537) 5.176 18.419 ( 11.278 5.378 20.082) 23.652 19.320 ( -7.487 2.847 -11.714) 14.191 19.783 ( 1.049 -7.919 -3.914) 8.895 23.313 ( -1.771 -0.379 -3.648) 4.073 23.987 ( -2.541 -1.975 -3.557) 4.797 ======================= Grid point 397 (221/294) ======================= q-point: ( 0.42 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.344 ( -7.867 3.294 7.573) 11.405 3.790 ( 4.002 -5.045 -5.021) 8.165 4.133 ( -7.937 -13.587 7.443) 17.407 4.726 ( 5.861 -0.859 -11.716) 13.128 5.322 ( -5.246 6.275 6.616) 10.520 5.729 ( 4.012 -5.763 6.696) 9.703 5.858 ( 5.117 2.594 -3.418) 6.678 6.390 ( 3.485 -4.445 1.546) 5.856 6.787 ( 7.340 -4.589 1.551) 8.794 7.723 ( -1.783 2.368 -4.501) 5.390 8.483 ( -1.133 -0.708 -6.326) 6.465 8.917 ( 2.760 5.044 0.915) 5.822 9.259 ( 2.020 -13.110 -0.869) 13.293 9.861 ( -16.223 1.798 -0.712) 16.338 10.948 ( -0.030 2.315 7.256) 7.616 11.376 ( -10.215 -9.068 3.668) 14.143 11.994 ( 7.552 -4.176 0.415) 8.640 12.168 ( 15.222 -3.280 -1.551) 15.648 12.604 ( -3.717 -1.111 -1.869) 4.306 13.099 ( 3.420 5.732 -4.927) 8.296 13.233 ( 2.168 2.979 1.177) 3.867 13.832 ( 0.912 -6.705 0.031) 6.767 14.742 ( -1.050 14.279 3.202) 14.671 15.423 ( -6.738 5.294 -0.939) 8.620 17.895 ( 5.831 0.176 -0.886) 5.900 18.736 ( 9.144 2.535 14.190) 17.070 19.163 ( -6.844 2.676 -8.725) 11.408 19.707 ( 0.334 -6.552 -1.492) 6.728 23.255 ( -1.760 -0.884 -3.072) 3.649 23.916 ( -2.483 -2.448 0.182) 3.491 ======================= Grid point 398 (222/294) ======================= q-point: ( 0.50 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( -7.168 -2.769 8.497) 11.456 3.770 ( 1.581 -2.816 -4.744) 5.739 3.934 ( -11.226 -11.034 17.578) 23.596 4.789 ( 10.529 -0.813 -7.456) 12.927 5.302 ( -6.929 4.232 4.425) 9.246 5.773 ( 4.170 -5.736 2.638) 7.567 5.984 ( 7.609 5.303 -4.303) 10.224 6.420 ( 3.763 -2.406 -0.090) 4.467 6.851 ( 5.792 -3.620 -3.243) 7.561 7.729 ( 3.482 0.480 -2.865) 4.534 8.329 ( -6.478 -5.279 -9.273) 12.482 8.878 ( -9.925 1.746 -5.406) 11.436 9.236 ( 4.420 -8.413 5.254) 10.859 9.759 ( -4.444 3.922 14.421) 15.592 10.921 ( -7.657 -6.544 6.634) 12.061 11.146 ( -11.447 -5.378 9.100) 15.581 12.070 ( 6.155 -2.803 -3.971) 7.843 12.326 ( 7.307 -5.712 1.679) 9.426 12.576 ( 5.391 1.140 -5.030) 7.461 13.163 ( 0.245 7.937 -9.697) 12.533 13.366 ( 12.151 3.561 -2.331) 12.875 13.808 ( 2.222 -2.518 -3.125) 4.587 14.780 ( -8.338 6.387 1.879) 10.670 15.388 ( -4.017 6.696 0.568) 7.829 18.006 ( 8.747 2.470 -6.209) 11.007 18.883 ( 1.907 -2.189 2.066) 3.563 19.065 ( -4.732 4.899 -3.135) 7.498 19.669 ( 1.060 -5.844 4.355) 7.365 23.216 ( -0.698 0.097 -1.271) 1.454 23.866 ( -2.403 -2.299 4.010) 5.209 ======================= Grid point 399 (223/294) ======================= q-point: (-0.42 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.183 ( -2.706 -9.399 8.949) 13.257 3.695 ( -9.058 -12.137 15.712) 21.822 3.831 ( -2.209 3.651 3.646) 5.613 4.935 ( 9.809 0.034 -3.025) 10.265 5.258 ( -4.497 2.800 4.029) 6.656 5.778 ( 2.289 -5.966 -0.264) 6.395 6.101 ( 3.421 5.551 -6.519) 9.220 6.470 ( 3.493 0.902 -1.331) 3.845 6.861 ( 3.080 -3.543 -6.596) 8.096 7.780 ( 6.795 -5.166 -4.966) 9.875 8.147 ( -5.127 1.160 -5.795) 7.823 8.644 ( -11.820 -0.252 -6.861) 13.670 9.299 ( 6.011 -8.736 11.898) 15.938 9.860 ( -1.793 1.453 17.884) 18.033 10.714 ( -10.536 -5.881 4.855) 13.007 11.041 ( -5.759 -3.498 12.047) 13.803 12.081 ( 1.939 -3.244 -3.699) 5.288 12.351 ( 1.745 -1.461 -0.893) 2.445 12.692 ( 8.162 -0.228 -2.920) 8.671 13.160 ( -0.657 7.593 -12.650) 14.769 13.600 ( 12.244 1.828 -4.756) 13.262 13.826 ( 6.127 2.104 -5.811) 8.703 14.636 ( -13.445 0.801 0.263) 13.471 15.412 ( -0.956 4.629 1.504) 4.960 18.135 ( 9.468 4.450 -11.520) 15.562 18.791 ( -4.929 -5.633 -9.410) 12.024 19.072 ( -1.592 6.753 3.981) 7.999 19.664 ( -0.072 -6.958 8.695) 11.136 23.225 ( 0.832 1.892 0.911) 2.259 23.848 ( -1.855 -0.909 6.838) 7.144 ======================= Grid point 400 (224/294) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( 5.185 -13.309 9.487) 17.147 3.499 ( -8.112 -18.984 17.124) 26.823 3.914 ( -1.333 12.064 4.599) 12.979 4.994 ( -1.954 1.919 -1.551) 3.147 5.302 ( 4.291 1.577 2.376) 5.152 5.744 ( 0.734 -4.528 -1.298) 4.767 6.101 ( -2.630 2.142 -8.204) 8.878 6.493 ( -2.434 1.933 -2.260) 3.843 6.805 ( 0.512 -3.863 -9.048) 9.851 7.776 ( 5.468 -5.353 -6.444) 10.004 8.163 ( 3.020 7.362 -2.044) 8.216 8.501 ( 0.329 -1.491 -2.700) 3.102 9.345 ( -1.379 -8.142 11.652) 14.282 9.903 ( -1.366 -7.408 17.966) 19.482 10.628 ( -3.529 4.652 7.515) 9.517 11.027 ( -0.298 -3.143 9.961) 10.450 12.045 ( -0.101 -1.804 -4.221) 4.591 12.354 ( -0.414 0.855 -2.058) 2.266 12.756 ( 1.506 0.005 -1.823) 2.365 13.135 ( -0.192 5.172 -12.630) 13.649 13.628 ( -2.448 1.102 -8.358) 8.779 14.051 ( 19.413 1.959 -4.370) 19.995 14.390 ( -15.475 -2.160 -1.335) 15.682 15.453 ( 1.443 0.844 2.419) 2.940 18.229 ( 3.365 5.908 -13.838) 15.418 18.556 ( -4.287 -6.833 -16.472) 18.341 19.170 ( 0.582 5.179 10.001) 11.277 19.629 ( -2.048 -7.273 8.848) 11.635 23.284 ( 1.585 3.872 2.345) 4.797 23.875 ( -0.561 1.320 8.038) 8.165 ======================= Grid point 401 (225/294) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.196 ( 6.620 -15.172 9.412) 19.042 3.320 ( 2.498 -22.595 12.214) 25.806 4.038 ( -2.787 14.322 5.284) 15.518 4.951 ( -5.026 4.356 -0.143) 6.652 5.381 ( 4.164 -1.825 -1.625) 4.828 5.711 ( -1.391 -1.524 -1.928) 2.824 5.962 ( -6.285 -2.832 -8.104) 10.639 6.403 ( -8.068 2.135 -1.654) 8.508 6.715 ( -0.732 -2.701 -9.465) 9.870 7.844 ( 7.637 2.491 -1.467) 8.166 8.263 ( 4.826 0.933 -4.375) 6.580 8.597 ( 10.409 2.107 0.463) 10.630 9.259 ( -6.381 -4.190 7.858) 10.955 9.947 ( 3.163 -9.781 19.337) 21.900 10.721 ( 2.735 3.128 7.107) 8.233 11.101 ( 3.116 2.713 8.679) 9.612 11.999 ( -1.417 1.102 -5.766) 6.039 12.304 ( -5.977 2.004 -3.829) 7.376 12.725 ( -2.796 -0.330 -2.752) 3.937 13.119 ( 2.392 1.197 -7.338) 7.810 13.508 ( -7.165 2.963 -10.596) 13.130 14.090 ( -16.429 -4.763 0.800) 17.124 14.353 ( 19.898 -1.726 -5.452) 20.703 15.504 ( 2.942 -1.265 3.642) 4.850 18.049 ( -13.662 -2.585 -16.928) 21.907 18.489 ( 8.523 0.348 -12.408) 15.058 19.251 ( -2.451 -0.406 10.407) 10.700 19.617 ( 1.426 -1.932 7.221) 7.610 23.365 ( 1.139 5.389 2.353) 5.989 23.947 ( 0.693 3.335 7.636) 8.361 ======================= Grid point 402 (226/294) ======================= q-point: (-0.17 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.109 ( 3.241 -19.900 6.831) 21.288 3.411 ( 18.490 -16.790 8.277) 26.311 4.139 ( -3.776 13.726 2.177) 14.401 4.910 ( -5.261 3.175 -1.006) 6.226 5.396 ( 2.762 -3.360 -1.190) 4.509 5.551 ( -8.293 -7.121 -8.124) 13.619 5.881 ( 0.012 1.648 0.078) 1.650 6.290 ( -7.640 3.062 -0.438) 8.243 6.628 ( -1.564 -0.002 -7.925) 8.077 7.993 ( 2.855 5.574 -0.433) 6.278 8.255 ( 2.277 -7.510 -1.440) 7.979 8.813 ( 9.755 5.725 -0.516) 11.323 9.243 ( 1.726 4.197 1.850) 4.901 10.045 ( 6.107 -9.805 17.234) 20.747 10.818 ( 5.676 -4.539 5.546) 9.142 11.279 ( 4.312 10.636 8.179) 14.093 11.957 ( -2.430 4.660 -6.421) 8.297 12.154 ( -11.004 3.249 -6.049) 12.971 12.653 ( -1.692 -3.557 -2.348) 4.586 13.127 ( 1.869 -2.791 -3.347) 4.742 13.336 ( -9.208 3.191 -9.796) 13.818 13.805 ( -13.541 -3.733 1.272) 14.103 14.578 ( 15.283 -6.308 -3.039) 16.811 15.563 ( 2.666 -0.971 3.725) 4.683 17.688 ( -12.056 -5.421 -15.171) 20.122 18.546 ( 2.202 -2.664 -0.544) 3.499 19.246 ( -0.092 1.137 1.512) 1.894 19.714 ( 3.957 2.075 5.808) 7.328 23.438 ( -0.086 5.687 1.172) 5.807 24.040 ( 0.955 4.368 5.807) 7.329 ======================= Grid point 407 (227/294) ======================= q-point: ( 0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.369 ( 13.956 0.430 -9.982) 17.164 3.580 ( 19.320 -16.361 -15.771) 29.827 4.146 ( -10.951 1.588 -6.144) 12.657 4.919 ( -4.570 -1.100 4.543) 6.537 5.289 ( 7.041 3.991 7.792) 11.235 5.588 ( -2.528 -4.099 9.409) 10.570 5.921 ( 0.185 -3.689 -2.295) 4.349 6.352 ( -1.661 -3.395 4.327) 5.746 6.554 ( -0.661 -2.244 7.215) 7.585 7.801 ( 3.712 9.956 4.875) 11.691 8.261 ( 3.593 2.884 -4.468) 6.418 8.668 ( -1.774 7.374 -8.183) 11.157 9.395 ( 1.723 -10.482 -7.048) 12.748 10.276 ( 11.626 -1.441 -15.914) 19.761 10.862 ( -2.558 0.416 -8.411) 8.802 11.260 ( -3.386 3.146 -8.897) 10.025 11.872 ( -0.255 -0.775 8.512) 8.551 12.191 ( -8.165 -4.944 8.429) 12.734 12.663 ( 1.851 -1.880 3.449) 4.342 13.022 ( 1.061 6.765 3.429) 7.658 13.333 ( -5.605 -5.801 8.375) 11.628 13.947 ( 0.199 -2.093 14.381) 14.534 14.368 ( 7.157 5.413 -5.080) 10.311 15.574 ( 0.659 2.347 -4.007) 4.691 17.757 ( 1.165 -12.852 15.034) 19.813 18.239 ( 0.118 13.907 14.016) 19.745 19.470 ( -1.798 -5.160 -12.803) 13.920 19.735 ( 2.047 -1.200 -5.637) 6.116 23.404 ( -3.835 2.751 -1.913) 5.093 24.076 ( -2.883 1.028 -6.439) 7.129 ======================= Grid point 408 (228/294) ======================= q-point: ( 0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.481 ( 9.342 -2.847 -6.714) 11.851 3.631 ( 2.856 -2.377 -5.812) 6.898 4.058 ( 5.515 0.416 -9.339) 10.854 4.797 ( -8.848 -2.531 0.083) 9.203 5.426 ( 0.893 3.204 5.051) 6.048 5.600 ( 2.792 -4.827 8.887) 10.492 5.856 ( -2.735 -2.542 -1.643) 4.079 6.297 ( 0.492 -5.619 0.262) 5.646 6.611 ( 2.617 -3.520 8.676) 9.722 7.871 ( -5.162 5.578 -2.082) 7.880 8.368 ( 6.855 2.979 -1.393) 7.603 8.752 ( 4.447 8.680 1.569) 9.878 9.259 ( -1.223 -8.933 -6.419) 11.067 10.266 ( -0.188 0.077 -16.300) 16.301 10.843 ( 0.492 8.567 -4.849) 9.856 11.303 ( 10.116 0.288 -5.159) 11.359 11.889 ( -0.274 -3.113 4.579) 5.543 12.042 ( -8.441 -7.434 8.811) 14.289 12.681 ( 0.209 -0.469 0.705) 0.872 13.120 ( 0.181 4.471 1.634) 4.763 13.227 ( -4.544 -5.393 8.863) 11.326 13.870 ( -3.244 -12.337 2.712) 13.041 14.618 ( 8.368 14.546 2.663) 16.991 15.569 ( -1.650 2.091 -2.391) 3.579 17.747 ( 3.039 -11.272 9.810) 15.249 18.490 ( 4.670 11.218 13.787) 18.378 19.312 ( -2.030 -6.093 -10.167) 12.025 19.711 ( -0.476 0.423 -5.127) 5.166 23.351 ( -3.958 1.823 -1.950) 4.774 24.003 ( -2.934 1.128 -5.085) 5.978 ======================= Grid point 409 (229/294) ======================= q-point: ( 0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.522 ( -0.388 -0.435 -1.989) 2.073 3.624 ( 1.237 2.707 -1.023) 3.148 4.125 ( 4.521 -1.731 -1.758) 5.150 4.638 ( -4.369 -2.706 -4.595) 6.894 5.462 ( -1.082 -0.727 5.669) 5.817 5.680 ( 3.658 1.318 2.100) 4.419 5.787 ( -0.843 -2.932 0.220) 3.059 6.286 ( 4.122 -4.732 -0.597) 6.304 6.656 ( 4.136 -5.622 3.362) 7.748 7.786 ( -6.101 2.888 -3.803) 7.748 8.442 ( 1.283 -2.326 -1.204) 2.916 8.877 ( 3.669 -3.977 1.292) 5.562 9.205 ( 0.161 7.117 0.140) 7.120 10.113 ( -11.043 5.549 -7.719) 14.571 10.957 ( 4.994 7.381 -2.331) 9.212 11.403 ( 2.315 -5.047 0.366) 5.565 11.873 ( 3.571 -7.325 2.803) 8.618 11.961 ( 2.054 -2.588 2.163) 3.949 12.656 ( -3.237 -1.079 -0.005) 3.412 13.079 ( -1.875 -1.199 0.114) 2.228 13.265 ( 0.710 3.452 3.271) 4.808 13.733 ( 0.621 -10.931 -0.913) 10.987 14.856 ( 3.558 10.135 2.771) 11.093 15.533 ( -3.617 2.008 -0.901) 4.234 17.770 ( 5.471 -7.468 3.700) 9.969 18.725 ( 6.743 3.200 8.074) 10.996 19.189 ( -2.660 -1.977 -4.071) 5.250 19.672 ( -1.586 1.193 -3.894) 4.371 23.293 ( -3.775 1.639 -1.307) 4.318 23.948 ( -2.581 1.215 -1.824) 3.386 ======================= Grid point 410 (230/294) ======================= q-point: (-0.50 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.450 ( -10.025 0.636 3.408) 10.608 3.680 ( 4.628 2.584 -3.668) 6.446 4.112 ( -6.901 -5.943 15.223) 17.740 4.601 ( 6.169 1.833 -9.312) 11.319 5.443 ( -2.698 -3.759 4.336) 6.341 5.693 ( -0.522 1.529 -5.035) 5.288 5.856 ( 8.500 -1.031 2.524) 8.926 6.330 ( 5.219 -0.928 -1.043) 5.402 6.689 ( 6.231 -5.937 -2.230) 8.891 7.709 ( -2.931 0.685 -3.000) 4.250 8.347 ( -6.434 -2.941 -3.501) 7.893 8.886 ( 4.481 -9.110 4.325) 11.035 9.252 ( -6.224 8.630 -4.863) 11.699 10.007 ( -8.654 8.616 9.125) 15.245 11.011 ( -5.189 -1.345 2.678) 5.992 11.312 ( -5.567 -3.165 4.187) 7.651 11.911 ( 6.334 -4.621 -0.376) 7.849 12.080 ( 13.624 -4.239 -1.336) 14.330 12.571 ( -4.321 -0.065 -1.527) 4.583 13.107 ( 5.728 2.836 -6.489) 9.108 13.293 ( -0.425 2.123 -0.636) 2.256 13.700 ( 4.994 -5.103 -1.723) 7.345 14.928 ( -3.499 2.251 0.936) 4.265 15.495 ( -3.450 2.921 0.462) 4.545 17.827 ( 8.110 -4.129 -3.392) 9.712 18.834 ( 4.324 -4.191 0.226) 6.026 19.143 ( -3.207 3.629 0.141) 4.846 19.650 ( -0.681 0.458 0.987) 1.284 23.253 ( -2.658 2.365 0.049) 3.558 23.923 ( -2.328 1.640 2.258) 3.634 ======================= Grid point 411 (231/294) ======================= q-point: (-0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.258 ( -11.047 -6.798 3.222) 13.365 3.761 ( -0.296 -3.120 8.137) 8.720 4.007 ( -8.865 0.837 11.893) 14.857 4.738 ( 11.317 3.422 -4.700) 12.723 5.369 ( -3.456 -3.781 1.262) 5.275 5.677 ( 2.055 -1.046 -5.324) 5.802 5.994 ( 7.666 -0.368 -1.399) 7.801 6.422 ( 5.049 4.054 -1.379) 6.620 6.711 ( 5.656 -5.464 -5.877) 9.818 7.654 ( -0.267 -4.039 -2.954) 5.011 8.221 ( -5.586 3.260 -0.841) 6.522 8.808 ( -10.375 -1.356 -6.946) 12.559 9.203 ( 2.582 -4.441 7.411) 9.017 10.053 ( -6.259 3.990 15.141) 16.862 10.854 ( -9.242 -3.179 4.939) 10.950 11.241 ( -8.752 0.702 10.239) 13.488 11.969 ( 5.590 -2.130 -4.739) 7.632 12.227 ( 10.269 -6.421 0.326) 12.116 12.558 ( 3.934 3.042 -4.588) 6.766 13.156 ( 1.137 5.381 -11.780) 13.000 13.365 ( 10.615 -0.636 -2.830) 11.004 13.741 ( 4.140 0.395 -3.859) 5.673 14.812 ( -9.433 -3.535 -0.061) 10.074 15.476 ( -2.519 1.527 1.236) 3.194 17.911 ( 10.655 -1.413 -10.438) 14.982 18.795 ( -3.502 -3.020 -5.366) 7.083 19.147 ( -0.383 3.695 1.717) 4.092 19.660 ( -0.371 -2.789 6.594) 7.169 23.258 ( -0.685 3.633 1.620) 4.036 23.930 ( -2.193 2.541 5.672) 6.591 ======================= Grid point 412 (232/294) ======================= q-point: (-0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( -4.209 -13.810 5.798) 15.558 3.592 ( -12.446 -20.241 16.950) 29.188 4.098 ( -0.470 15.872 5.939) 16.954 4.914 ( 9.085 1.232 -3.018) 9.652 5.294 ( -0.804 -3.492 -3.123) 4.753 5.682 ( 2.292 1.046 -3.053) 3.958 6.044 ( 2.627 -3.418 -5.669) 7.122 6.524 ( 1.940 6.235 -3.821) 7.565 6.691 ( 2.595 -4.397 -6.917) 8.598 7.601 ( 3.080 -6.537 -2.183) 7.548 8.241 ( -1.646 10.689 2.056) 11.008 8.550 ( -10.203 -0.265 -7.035) 12.396 9.305 ( 5.968 -7.766 13.202) 16.438 9.988 ( -7.817 -8.188 12.049) 16.533 10.803 ( -4.898 5.221 9.764) 12.107 11.176 ( -8.266 3.688 11.405) 14.560 11.983 ( 2.361 -1.317 -5.314) 5.963 12.306 ( 5.424 -2.111 -1.497) 6.010 12.657 ( 7.190 0.590 -3.354) 7.955 13.128 ( -1.368 5.993 -13.564) 14.892 13.511 ( 10.363 -3.252 -6.616) 12.718 13.810 ( 7.468 3.237 -5.879) 10.040 14.583 ( -12.852 -6.202 -0.160) 14.271 15.457 ( -0.863 -1.611 2.688) 3.251 18.016 ( 12.166 0.734 -15.700) 19.875 18.598 ( -11.751 0.382 -12.887) 17.445 19.236 ( 3.466 2.294 8.650) 9.597 19.645 ( -2.135 -6.266 8.831) 11.037 23.317 ( 1.176 4.967 2.666) 5.759 23.966 ( -1.679 3.578 7.344) 8.340 ======================= Grid point 413 (233/294) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( 5.889 -19.358 8.209) 21.836 3.272 ( -11.386 -26.423 15.924) 32.885 4.270 ( -2.524 16.808 5.973) 18.016 4.986 ( 2.161 -1.889 -3.441) 4.481 5.238 ( 4.230 -6.136 -8.508) 11.310 5.733 ( -0.146 5.471 -1.353) 5.638 5.954 ( -2.629 -5.745 -5.578) 8.428 6.508 ( -2.930 2.548 -10.105) 10.826 6.652 ( -1.303 0.206 -3.599) 3.833 7.649 ( 10.768 -3.955 -1.181) 11.532 8.268 ( -4.068 4.850 -4.914) 8.014 8.542 ( 4.460 7.577 7.238) 11.389 9.336 ( -2.147 -6.438 8.881) 11.177 9.907 ( 1.048 -11.164 14.628) 18.431 10.820 ( -5.512 1.894 9.182) 10.875 11.231 ( -2.108 11.630 11.288) 16.344 11.971 ( 1.157 0.960 -7.009) 7.169 12.341 ( 0.826 0.336 -2.197) 2.371 12.708 ( 1.375 -2.005 -4.342) 4.976 13.077 ( -0.814 4.231 -10.065) 10.948 13.525 ( 0.467 -0.425 -9.470) 9.491 13.981 ( 15.735 -0.576 -9.138) 18.205 14.299 ( -13.880 -7.798 2.482) 16.113 15.464 ( 2.043 -3.377 5.132) 6.474 18.061 ( 0.470 -0.928 -19.897) 19.924 18.362 ( -3.713 5.162 -13.407) 14.838 19.355 ( -0.554 -0.552 13.296) 13.319 19.607 ( 0.136 -5.676 7.983) 9.796 23.409 ( 1.673 5.811 2.555) 6.565 24.029 ( -0.569 4.276 7.189) 8.383 ======================= Grid point 414 (234/294) ======================= q-point: (-0.17 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( -2.554 -26.468 12.129) 29.227 2.998 ( 13.308 -25.113 10.392) 30.261 4.380 ( -6.241 15.478 2.882) 16.936 4.886 ( -0.151 -13.699 -8.968) 16.374 5.269 ( 7.872 0.755 -3.099) 8.494 5.635 ( -11.042 -1.555 -5.739) 12.541 5.892 ( -0.168 0.797 -0.935) 1.240 6.427 ( -3.662 5.020 -8.441) 10.481 6.599 ( -2.681 1.130 -3.279) 4.384 7.838 ( 15.238 -1.200 -4.277) 15.873 8.198 ( -2.610 -3.869 -0.555) 4.700 8.776 ( 5.542 11.214 8.106) 14.905 9.295 ( -1.796 -0.480 3.957) 4.372 9.964 ( 5.072 -10.070 16.024) 19.593 10.798 ( -2.438 -0.782 7.090) 7.538 11.415 ( 0.724 14.240 9.703) 17.247 11.957 ( 0.762 3.371 -9.164) 9.794 12.297 ( -6.035 2.787 -4.047) 7.782 12.618 ( -2.341 -5.202 -5.819) 8.149 13.076 ( 0.931 1.125 -2.477) 2.875 13.429 ( -5.521 1.958 -9.951) 11.547 13.958 ( -9.467 -4.664 -6.778) 12.543 14.241 ( 14.180 -7.759 1.533) 16.237 15.520 ( 3.802 -2.940 6.478) 8.066 17.769 ( -14.096 -1.617 -18.182) 23.063 18.442 ( 8.798 6.105 -8.739) 13.822 19.324 ( -6.695 -4.645 10.884) 13.596 19.682 ( 5.443 -0.488 6.494) 8.488 23.496 ( 0.578 5.758 1.275) 5.925 24.107 ( 0.218 4.224 5.640) 7.050 ======================= Grid point 480 (235/294) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 0.000 0.000 40.300) 40.300 2.447 ( 0.000 0.000 40.554) 40.554 3.476 ( 0.000 0.000 53.266) 53.266 5.244 ( -0.000 -0.000 -1.608) 1.608 5.293 ( -0.000 -0.000 -13.627) 13.627 5.417 ( -0.000 -0.000 -13.107) 13.107 6.287 ( 0.000 0.000 5.241) 5.241 6.698 ( 0.000 0.000 2.785) 2.785 7.602 ( -0.000 -0.000 -8.201) 8.201 7.823 ( 0.000 0.000 16.264) 16.264 7.986 ( 0.000 0.000 13.300) 13.300 8.794 ( -0.000 -0.000 -8.173) 8.173 10.157 ( -0.000 -0.000 -17.120) 17.120 11.140 ( 0.000 0.000 0.491) 0.491 11.385 ( 0.000 0.000 4.183) 4.183 11.774 ( 0.000 0.000 0.441) 0.441 12.395 ( -0.000 -0.000 -3.521) 3.521 12.559 ( 0.000 0.000 3.338) 3.338 12.733 ( 0.000 0.000 10.373) 10.373 12.812 ( -0.000 -0.000 -4.964) 4.964 12.872 ( -0.000 -0.000 -1.458) 1.458 13.564 ( -0.000 -0.000 -1.755) 1.755 13.596 ( -0.000 -0.000 -2.439) 2.439 13.836 ( 0.000 0.000 4.064) 4.064 17.834 ( -0.000 -0.000 -11.265) 11.265 18.144 ( -0.000 -0.000 -13.281) 13.281 19.791 ( 0.000 0.000 8.397) 8.397 20.001 ( 0.000 0.000 6.130) 6.130 23.544 ( -0.000 -0.000 -4.740) 4.740 24.478 ( 0.000 0.000 2.797) 2.797 ======================= Grid point 481 (236/294) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -5.446 -3.742 40.251) 40.789 2.871 ( 10.731 8.634 35.481) 38.061 3.926 ( 12.204 5.370 43.444) 45.444 5.075 ( -9.198 -0.065 -11.462) 14.696 5.204 ( 0.238 -6.311 -2.872) 6.937 5.475 ( 7.180 4.095 -11.966) 14.543 6.275 ( -4.640 0.039 5.548) 7.233 6.786 ( 5.260 1.982 2.024) 5.975 7.414 ( -13.774 -5.637 -3.240) 15.231 7.832 ( -3.847 -5.915 8.469) 11.023 8.116 ( 4.591 1.831 5.779) 7.605 8.835 ( 6.999 5.694 0.394) 9.031 9.938 ( -8.836 -6.761 -16.024) 19.508 10.945 ( -13.884 -10.987 4.456) 18.258 11.382 ( -14.010 9.063 2.637) 16.892 11.747 ( 5.424 -9.571 5.854) 12.461 12.249 ( -4.015 -9.216 -4.644) 11.074 12.475 ( -8.674 -2.914 10.843) 14.188 12.704 ( -3.521 9.806 -0.667) 10.440 12.893 ( 9.498 -4.948 -1.118) 10.768 12.998 ( 0.634 1.688 -5.514) 5.801 13.550 ( -2.935 5.464 -0.209) 6.205 13.710 ( 12.654 0.598 -1.205) 12.725 14.090 ( 20.177 12.289 -2.327) 23.739 17.727 ( -5.083 0.735 -9.129) 10.474 18.216 ( 14.211 4.970 -13.587) 20.280 19.659 ( -16.073 -8.625 10.464) 21.029 20.059 ( 2.422 0.863 4.929) 5.560 23.517 ( 0.076 -0.365 -4.629) 4.644 24.463 ( -2.989 -0.998 1.838) 3.648 ======================= Grid point 482 (237/294) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 0.321 0.886 33.806) 33.819 3.341 ( 11.871 10.269 28.633) 32.653 4.392 ( 11.673 2.577 28.811) 31.192 4.897 ( -5.139 1.494 -9.822) 11.185 5.138 ( 0.251 -5.536 -1.353) 5.704 5.540 ( 5.998 1.884 -10.611) 12.334 6.209 ( -8.773 0.684 6.810) 11.127 6.858 ( 1.747 -1.380 -2.750) 3.538 7.085 ( -16.979 -6.061 2.936) 18.265 7.754 ( -3.512 -4.790 4.486) 7.444 8.178 ( 2.929 -2.015 -3.474) 4.970 9.110 ( 11.859 8.884 5.174) 15.695 9.627 ( -7.323 -8.959 -9.903) 15.230 10.665 ( -11.472 -11.567 8.039) 18.166 11.128 ( -24.988 10.448 0.269) 27.086 11.840 ( 10.025 -13.374 5.584) 17.623 12.110 ( -1.867 -3.733 -1.031) 4.300 12.426 ( -2.533 -3.802 9.350) 10.407 12.669 ( -7.508 4.432 -5.105) 10.104 12.905 ( -5.012 0.727 -3.508) 6.161 13.015 ( 8.289 -2.240 -0.642) 8.610 13.564 ( -0.064 1.916 1.168) 2.245 13.936 ( 11.444 6.171 -1.031) 13.043 14.545 ( 22.692 12.239 -6.278) 26.536 17.624 ( -4.089 3.242 -4.612) 6.965 18.450 ( 16.900 4.726 -12.251) 21.401 19.338 ( -19.250 -9.912 11.915) 24.714 20.120 ( 1.214 0.206 2.817) 3.074 23.474 ( -0.856 -1.775 -4.494) 4.907 24.388 ( -5.503 -0.938 -0.210) 5.587 ======================= Grid point 483 (238/294) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( 5.472 4.760 22.408) 23.552 3.749 ( 8.226 8.916 19.543) 23.002 4.575 ( 0.678 -7.251 1.307) 7.399 4.884 ( 2.873 5.632 1.504) 6.498 5.106 ( 0.304 -2.044 2.810) 3.488 5.584 ( 6.122 -0.082 -8.490) 10.467 6.096 ( -11.908 0.206 11.592) 16.620 6.708 ( -9.797 -5.392 -6.039) 12.709 6.910 ( -5.264 -2.151 4.725) 7.393 7.698 ( -2.635 -2.403 4.998) 6.139 8.162 ( 2.482 -3.712 -5.797) 7.318 9.123 ( -6.852 -8.255 -11.563) 15.774 9.673 ( 13.583 5.738 2.956) 15.038 10.446 ( -9.984 -8.401 6.830) 14.728 10.886 ( -17.289 12.314 2.018) 21.322 11.808 ( 5.740 -18.898 -1.973) 19.849 12.105 ( -5.373 4.867 5.720) 9.234 12.346 ( -8.803 -4.301 -0.866) 9.836 12.576 ( 0.056 0.791 0.313) 0.853 12.834 ( -2.349 -0.643 -1.059) 2.656 13.131 ( 7.204 -0.445 2.849) 7.760 13.587 ( 0.603 -1.360 3.794) 4.075 14.166 ( 8.777 9.239 -1.898) 12.884 14.942 ( 18.522 9.052 -5.730) 21.396 17.610 ( -0.427 4.098 0.710) 4.180 18.627 ( 3.825 -1.567 0.505) 4.165 19.076 ( -6.931 -2.982 1.724) 7.740 20.129 ( -1.059 -0.762 0.321) 1.343 23.406 ( -1.409 -2.813 -4.332) 5.354 24.276 ( -6.262 -0.334 -2.666) 6.814 ======================= Grid point 484 (239/294) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( 8.368 6.981 9.946) 14.754 3.949 ( -1.236 4.245 5.033) 6.700 4.452 ( 0.824 -12.304 -7.662) 14.518 4.947 ( -2.351 5.428 -2.545) 6.440 5.157 ( 1.135 1.922 7.842) 8.153 5.655 ( 5.856 -0.842 0.499) 5.937 5.983 ( -10.315 1.292 9.972) 14.405 6.489 ( -6.325 -6.202 -2.771) 9.282 6.832 ( -5.884 -1.855 4.007) 7.356 7.683 ( -1.805 -0.603 5.953) 6.250 8.134 ( 3.435 -4.466 -5.687) 8.005 8.845 ( -6.644 -9.977 -10.864) 16.177 9.872 ( 4.374 2.640 -9.801) 11.052 10.316 ( -2.274 -0.375 2.503) 3.402 10.805 ( -9.193 8.846 2.614) 13.024 11.726 ( 4.937 -17.025 0.160) 17.727 11.962 ( -13.841 2.487 -5.711) 15.178 12.203 ( -7.563 3.487 5.162) 9.798 12.641 ( 3.870 -0.856 3.167) 5.073 12.802 ( 0.581 -3.299 1.908) 3.855 13.282 ( 5.994 3.175 6.603) 9.466 13.612 ( 3.748 -6.883 7.766) 11.033 14.350 ( 3.773 10.644 -2.762) 11.626 15.238 ( 13.359 5.735 -4.060) 15.094 17.688 ( 3.366 2.966 5.573) 7.154 18.509 ( -15.430 -7.137 17.241) 24.213 19.125 ( 11.465 4.584 -12.462) 17.544 20.073 ( -3.738 -1.518 -2.525) 4.759 23.337 ( -0.591 -2.510 -4.039) 4.792 24.160 ( -4.936 0.270 -5.046) 7.064 ======================= Grid point 485 (240/294) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.409 ( 4.322 3.433 -0.631) 5.555 3.907 ( -1.791 0.913 -6.709) 7.004 4.259 ( -7.029 -8.683 -13.165) 17.266 4.930 ( -2.852 3.702 1.134) 4.809 5.231 ( 1.293 0.043 6.031) 6.168 5.700 ( -2.691 -3.025 8.990) 9.860 5.958 ( -0.170 3.795 1.925) 4.258 6.384 ( -0.464 -3.531 2.686) 4.461 6.734 ( -7.625 -1.521 5.837) 9.722 7.690 ( -0.879 -1.424 5.999) 6.228 8.131 ( 4.988 -3.204 -5.500) 8.086 8.620 ( -3.492 -7.465 -7.952) 11.452 9.766 ( -7.809 -0.056 -11.525) 13.921 10.350 ( 4.300 -0.598 -9.110) 10.092 10.741 ( -4.664 5.879 -4.278) 8.638 11.498 ( -11.280 -7.708 -12.626) 18.602 11.906 ( 0.500 -0.491 9.769) 9.794 12.191 ( -2.907 5.550 6.854) 9.286 12.691 ( 1.025 0.223 1.777) 2.064 12.826 ( 4.706 -5.242 5.682) 9.050 13.420 ( -1.002 6.983 7.136) 10.034 13.706 ( 11.653 -12.612 13.215) 21.668 14.441 ( -2.402 10.403 -3.476) 11.228 15.427 ( 7.923 2.461 -2.963) 8.809 17.828 ( 5.963 0.119 9.728) 11.411 18.312 ( -15.216 -2.852 19.161) 24.633 19.279 ( 11.020 3.640 -12.422) 17.000 19.952 ( -6.367 -1.687 -5.447) 8.547 23.304 ( 1.616 -1.005 -3.497) 3.982 24.069 ( -2.236 0.738 -6.952) 7.340 ======================= Grid point 486 (241/294) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.313 ( -7.759 -9.964 -8.840) 15.416 3.804 ( -18.640 -1.181 -15.262) 24.119 4.042 ( 7.025 5.206 -9.661) 13.030 4.955 ( 1.051 0.809 3.451) 3.697 5.271 ( 0.656 -3.211 5.720) 6.592 5.673 ( -1.647 -2.321 7.391) 7.920 5.993 ( -1.802 1.808 2.591) 3.637 6.423 ( 1.398 2.422 4.888) 5.631 6.655 ( -4.841 -0.864 7.425) 8.906 7.690 ( 0.810 -5.651 3.970) 6.953 8.171 ( 4.884 0.310 -2.786) 5.631 8.514 ( 1.708 -3.376 -5.578) 6.741 9.543 ( -10.229 -0.477 -10.249) 14.488 10.210 ( -6.854 -7.541 -14.645) 17.841 10.788 ( 5.175 8.092 -10.172) 13.990 11.224 ( -6.191 0.213 -11.607) 13.156 11.940 ( -1.530 -0.973 7.811) 8.018 12.282 ( 1.623 3.669 6.135) 7.330 12.709 ( 0.057 -1.408 3.363) 3.646 12.928 ( 6.084 -1.459 9.155) 11.088 13.479 ( -2.496 3.923 7.939) 9.200 13.873 ( 12.092 -13.019 13.971) 22.603 14.422 ( -8.590 9.193 -3.800) 13.143 15.503 ( 2.679 -0.642 -3.207) 4.228 17.971 ( 3.644 -4.001 14.863) 15.817 18.239 ( -7.144 4.561 17.357) 19.316 19.375 ( 6.592 1.247 -12.030) 13.774 19.781 ( -7.655 -1.448 -7.676) 10.937 23.331 ( 4.215 0.675 -2.858) 5.137 24.022 ( 0.793 1.399 -7.875) 8.038 ======================= Grid point 493 (242/294) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( -0.988 -0.945 38.612) 38.636 2.963 ( 2.219 -0.359 36.718) 36.787 4.202 ( -1.324 14.492 37.145) 39.893 4.972 ( 2.249 -8.905 -10.713) 14.111 5.249 ( -5.068 -0.010 -3.080) 5.930 5.376 ( 1.909 8.872 -14.124) 16.788 6.299 ( 2.333 -6.732 7.833) 10.589 6.814 ( -1.177 6.659 1.860) 7.013 7.408 ( 1.593 -8.173 -7.312) 11.082 7.902 ( 0.637 -6.943 6.126) 9.281 8.123 ( -4.294 0.102 7.755) 8.865 8.806 ( 1.915 6.102 1.610) 6.595 9.830 ( -1.365 -10.861 -16.576) 19.864 10.967 ( -3.427 -20.133 5.011) 21.028 11.330 ( 12.575 -12.347 6.274) 18.707 11.819 ( -7.328 3.087 2.412) 8.310 12.155 ( -4.182 -13.237 -4.081) 14.469 12.624 ( -0.510 1.526 5.157) 5.402 12.683 ( 6.028 -2.211 3.379) 7.256 12.918 ( -2.836 10.521 -2.688) 11.223 13.048 ( -1.457 9.987 -4.809) 11.180 13.485 ( 5.261 -1.854 -0.089) 5.578 13.757 ( -4.856 13.221 -0.875) 14.112 14.021 ( 1.143 14.780 -1.273) 14.879 17.740 ( 3.999 4.614 -8.264) 10.275 18.082 ( -3.727 8.380 -13.153) 16.035 19.799 ( 0.660 -8.054 9.097) 12.168 20.005 ( -0.576 -7.109 5.084) 8.759 23.492 ( -0.315 0.107 -4.365) 4.377 24.466 ( 0.622 -4.597 1.605) 4.909 ======================= Grid point 494 (243/294) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( -6.064 -0.653 37.177) 37.674 3.352 ( 14.585 1.426 30.880) 34.181 4.501 ( 1.554 6.783 20.273) 21.434 4.893 ( -0.056 0.954 -6.017) 6.092 5.103 ( -4.642 -2.019 -7.579) 9.114 5.439 ( 3.660 5.195 -8.034) 10.244 6.318 ( 0.034 -5.307 9.666) 11.027 6.835 ( -1.909 1.754 -3.811) 4.609 7.241 ( -8.499 -6.566 -3.474) 11.288 7.836 ( -4.793 -7.119 10.933) 13.899 8.088 ( 0.230 -0.785 -4.933) 5.001 9.016 ( 11.045 5.717 4.897) 13.366 9.560 ( -5.455 -12.547 -10.960) 17.530 10.708 ( -6.682 -20.356 7.144) 22.584 11.405 ( 1.212 -15.074 5.262) 16.012 11.720 ( -6.306 4.862 -0.268) 7.968 11.987 ( 2.082 -11.293 1.446) 11.574 12.572 ( -8.502 -0.125 5.733) 10.255 12.724 ( 2.496 -4.197 -0.145) 4.885 12.954 ( -7.945 7.915 -8.636) 14.154 13.054 ( -1.901 12.338 -0.284) 12.486 13.584 ( 3.798 1.363 1.478) 4.297 13.859 ( 4.781 12.192 -0.454) 13.104 14.323 ( 16.323 16.435 -3.960) 23.500 17.756 ( -6.175 10.940 -5.116) 13.564 18.158 ( 13.789 6.251 -13.175) 20.070 19.606 ( -16.167 -10.515 10.665) 22.038 20.043 ( 6.386 -6.774 3.501) 9.946 23.451 ( -1.158 -1.412 -3.980) 4.379 24.416 ( -1.572 -5.648 0.086) 5.864 ======================= Grid point 495 (244/294) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( -1.977 0.355 29.769) 29.837 3.766 ( 12.710 2.796 23.662) 27.005 4.526 ( -3.149 -7.647 -5.536) 9.952 4.899 ( -1.003 4.684 -5.688) 7.436 5.075 ( 4.257 1.971 5.173) 6.983 5.489 ( 2.756 3.783 -4.645) 6.594 6.304 ( -4.929 -4.047 12.417) 13.959 6.710 ( -5.742 -6.027 -9.874) 12.914 7.039 ( -9.166 -2.027 1.158) 9.459 7.792 ( -3.501 -2.398 11.750) 12.493 8.055 ( 1.516 -0.740 -8.873) 9.032 9.067 ( -4.616 -10.240 -8.625) 14.162 9.511 ( 11.441 0.562 3.671) 12.029 10.484 ( -5.327 -16.084 5.982) 17.969 11.226 ( -8.486 -6.598 4.035) 11.481 11.614 ( -5.891 -3.311 -5.572) 8.759 12.087 ( 11.974 -7.663 11.554) 18.319 12.435 ( -9.357 -3.275 1.151) 9.980 12.693 ( -4.562 2.455 -2.703) 5.844 12.832 ( -4.699 2.012 -5.430) 7.457 13.116 ( -1.401 7.226 0.700) 7.394 13.645 ( -1.526 4.073 3.562) 5.622 14.103 ( 10.549 12.179 -0.648) 16.125 14.720 ( 17.293 13.956 -4.491) 22.671 17.732 ( -5.899 10.179 -0.824) 11.794 18.407 ( 16.728 6.665 -10.926) 21.062 19.298 ( -17.345 -9.342 11.238) 22.680 20.077 ( 3.540 -6.279 0.727) 7.244 23.382 ( -1.889 -2.940 -3.503) 4.948 24.316 ( -3.433 -5.350 -2.222) 6.734 ======================= Grid point 496 (245/294) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.253 ( 1.852 2.211 18.444) 18.668 4.037 ( 1.276 2.996 9.225) 9.783 4.303 ( -2.293 -11.334 -9.628) 15.047 4.893 ( 4.335 -3.180 -7.447) 9.185 5.216 ( 1.445 5.798 6.258) 8.653 5.574 ( 5.453 3.308 1.864) 6.645 6.218 ( -10.290 -3.579 9.783) 14.643 6.479 ( -5.505 -8.529 -6.824) 12.232 6.921 ( -5.432 -0.778 1.226) 5.623 7.804 ( -3.662 0.917 11.343) 11.954 8.022 ( 1.517 -0.282 -7.497) 7.654 8.804 ( -7.047 -10.778 -6.162) 14.276 9.711 ( 9.578 0.232 -5.868) 11.235 10.299 ( -2.931 -12.412 0.025) 12.753 11.121 ( -10.815 7.428 4.813) 13.976 11.470 ( 3.195 -13.357 -2.586) 13.975 12.159 ( -9.753 -1.239 -0.582) 9.848 12.313 ( 2.019 -3.005 6.482) 7.424 12.619 ( -3.584 0.269 -0.493) 3.628 12.790 ( -0.361 0.570 -0.853) 1.087 13.198 ( 5.691 1.483 3.959) 7.089 13.654 ( -3.776 2.024 5.248) 6.775 14.375 ( 7.359 13.951 -0.383) 15.777 15.063 ( 13.943 10.285 -3.635) 17.703 17.755 ( -2.149 6.808 3.582) 7.987 18.632 ( 7.107 3.257 -0.757) 7.854 19.058 ( -8.546 -2.786 3.911) 9.803 20.047 ( 0.549 -6.378 -2.113) 6.742 23.304 ( -1.431 -3.138 -3.103) 4.639 24.189 ( -4.015 -4.049 -4.663) 7.366 ======================= Grid point 497 (246/294) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.395 ( 2.283 2.672 5.343) 6.395 3.904 ( -5.963 -5.254 -10.921) 13.506 4.236 ( -2.646 -0.521 -3.050) 4.071 4.881 ( 4.988 -8.483 -2.818) 10.236 5.286 ( -1.400 5.607 0.863) 5.843 5.714 ( 4.100 -1.279 8.056) 9.129 6.049 ( -7.763 -1.885 0.393) 7.999 6.358 ( -0.247 -5.366 3.917) 6.648 6.841 ( -4.766 -1.969 2.319) 5.655 7.792 ( -4.984 -1.589 7.029) 8.762 8.030 ( 2.136 3.051 -2.681) 4.589 8.605 ( -5.317 -4.766 -1.332) 7.264 9.713 ( 0.465 -4.282 -13.178) 13.864 10.197 ( 4.372 -5.807 -8.450) 11.146 10.975 ( -16.440 8.214 -2.143) 18.503 11.432 ( 3.162 -9.371 -5.601) 11.366 11.990 ( -6.268 0.232 3.526) 7.196 12.337 ( -4.773 3.889 3.942) 7.311 12.597 ( 5.277 -10.549 3.997) 12.454 12.820 ( 0.611 3.896 4.027) 5.637 13.368 ( 11.674 -4.023 6.595) 13.999 13.640 ( -3.105 0.163 7.297) 7.932 14.570 ( 0.647 13.806 -0.307) 13.824 15.310 ( 9.243 6.242 -2.527) 11.436 17.825 ( 1.634 1.394 7.911) 8.197 18.627 ( -11.119 -0.520 14.599) 18.358 19.079 ( 8.758 4.686 -9.307) 13.611 19.953 ( -2.178 -6.114 -4.845) 8.099 23.253 ( 0.474 -1.744 -2.820) 3.349 24.067 ( -3.003 -2.085 -6.666) 7.603 ======================= Grid point 498 (247/294) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.334 ( -8.749 -3.984 -7.418) 12.142 3.844 ( 6.367 1.707 -6.414) 9.197 4.050 ( -13.650 2.911 -13.992) 19.763 4.881 ( 5.842 -9.718 2.536) 11.619 5.306 ( -1.991 4.811 -0.142) 5.209 5.710 ( -2.932 -7.329 7.546) 10.920 6.021 ( 1.598 0.970 1.920) 2.680 6.401 ( 4.784 -1.019 5.457) 7.329 6.757 ( -4.857 -3.621 4.989) 7.848 7.708 ( -4.603 -5.049 3.066) 7.489 8.104 ( 3.460 5.044 -0.742) 6.162 8.533 ( -4.477 3.927 3.649) 6.984 9.533 ( -3.640 -8.763 -13.647) 16.622 10.163 ( -0.073 -0.008 -14.691) 14.691 10.808 ( -7.127 6.396 -5.528) 11.057 11.281 ( -7.264 2.074 -13.436) 15.414 11.983 ( -0.413 -3.177 7.351) 8.019 12.321 ( -1.862 1.044 2.269) 3.115 12.623 ( 6.165 -10.115 4.867) 12.807 12.938 ( 3.446 5.044 10.604) 12.238 13.506 ( 6.240 -8.787 5.797) 12.237 13.687 ( 4.501 -1.380 9.198) 10.332 14.641 ( -6.355 11.607 -0.330) 13.236 15.443 ( 3.857 2.565 -2.000) 5.045 17.918 ( 4.438 -5.493 12.265) 14.153 18.558 ( -10.200 5.894 15.267) 19.284 19.199 ( 7.815 1.950 -9.551) 12.494 19.811 ( -4.561 -4.448 -7.237) 9.642 23.258 ( 3.004 0.301 -2.622) 3.999 23.984 ( -0.700 0.376 -7.738) 7.779 ======================= Grid point 505 (248/294) ======================= q-point: ( 0.33 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( 6.783 -1.757 35.825) 36.504 3.314 ( -13.232 -0.087 32.698) 35.274 4.560 ( -3.730 9.019 18.700) 21.094 4.830 ( 1.707 -0.312 -3.880) 4.250 5.236 ( 4.069 0.129 1.019) 4.196 5.414 ( -6.408 8.035 -17.193) 20.030 6.219 ( 3.239 -9.820 8.763) 13.554 6.886 ( 0.454 2.897 -1.836) 3.459 7.180 ( 10.006 -10.562 -1.098) 14.590 7.794 ( 3.202 -4.984 -2.632) 6.482 8.242 ( -0.106 3.128 4.574) 5.542 8.962 ( -11.433 4.232 5.420) 13.342 9.626 ( 2.877 -8.518 -12.326) 15.257 10.795 ( 2.844 -24.203 10.465) 26.522 11.011 ( 13.501 -13.630 1.661) 19.256 11.923 ( -6.662 -10.339 5.376) 13.424 12.113 ( 0.226 3.177 -5.803) 6.620 12.586 ( 5.686 0.649 6.876) 8.946 12.686 ( 3.648 4.678 -0.408) 5.946 12.910 ( 5.849 -0.286 0.060) 5.856 13.097 ( 1.560 10.873 -6.525) 12.776 13.521 ( -4.819 4.834 0.478) 6.842 13.900 ( -2.429 9.152 -0.403) 9.477 14.327 ( -17.559 17.475 -4.115) 25.112 17.636 ( 6.064 3.983 -4.211) 8.389 18.272 ( -13.615 13.092 -13.573) 23.259 19.589 ( 16.471 -11.891 11.407) 23.298 20.052 ( -6.213 -6.128 3.058) 9.246 23.467 ( 0.445 -0.222 -4.373) 4.401 24.383 ( 2.845 -7.844 0.453) 8.356 ======================= Grid point 506 (249/294) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.266 ( 2.533 -1.875 33.233) 33.382 3.343 ( -0.148 -2.782 34.129) 34.243 4.560 ( -0.853 -5.098 -4.729) 7.006 4.956 ( 1.434 10.644 8.824) 13.900 5.154 ( -9.029 2.312 -11.108) 14.500 5.403 ( 2.935 6.500 -4.724) 8.555 6.255 ( 4.942 -8.790 9.678) 13.976 6.857 ( -2.194 -2.662 -5.541) 6.527 7.198 ( 2.835 -5.928 -2.317) 6.968 7.788 ( 3.877 -5.203 -0.395) 6.500 8.195 ( -9.412 0.142 2.959) 9.867 8.964 ( 2.572 2.590 4.635) 5.900 9.464 ( -2.882 -9.399 -7.008) 12.073 10.589 ( -1.028 -27.928 9.516) 29.523 11.165 ( 11.174 -12.026 4.257) 16.959 11.716 ( -1.506 -17.009 5.305) 17.881 12.062 ( -8.041 7.021 -5.171) 11.861 12.638 ( 1.028 -5.911 3.563) 6.978 12.716 ( -4.209 2.154 0.031) 4.728 13.039 ( 2.206 4.455 -5.950) 7.754 13.191 ( 2.122 14.707 -4.126) 15.421 13.554 ( 0.822 7.792 1.631) 8.004 13.965 ( -1.634 9.549 -0.612) 9.707 14.334 ( 0.169 21.047 -2.076) 21.149 17.821 ( 9.991 11.070 -4.212) 15.496 18.115 ( -9.841 11.724 -11.940) 19.413 19.719 ( 1.611 -12.818 8.219) 15.311 19.907 ( -1.289 -7.998 4.938) 9.487 23.431 ( -0.795 -1.541 -3.858) 4.230 24.340 ( 1.688 -9.762 0.209) 9.909 ======================= Grid point 507 (250/294) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.339 ( -6.416 -3.549 30.867) 31.726 3.691 ( 14.637 -3.084 28.333) 32.039 4.429 ( -1.413 -9.802 -11.956) 15.525 4.901 ( -5.537 -1.959 -13.881) 15.073 5.174 ( -1.216 15.442 6.342) 16.738 5.479 ( 1.976 3.994 -0.127) 4.458 6.306 ( 3.504 -8.588 8.374) 12.496 6.705 ( -5.995 -6.180 -7.088) 11.153 7.129 ( -4.134 -2.596 -2.788) 5.621 7.810 ( 2.126 -3.571 2.835) 5.030 8.080 ( -5.423 2.822 0.420) 6.128 8.979 ( -0.906 -9.288 -4.607) 10.407 9.403 ( 4.244 -0.643 5.443) 6.932 10.394 ( -0.788 -23.016 8.433) 24.525 11.111 ( 0.938 -17.406 0.992) 17.460 11.703 ( 5.570 -9.897 6.616) 13.143 11.966 ( -5.044 4.997 -0.815) 7.147 12.548 ( -6.862 -6.756 1.972) 9.829 12.673 ( -0.323 0.068 -1.996) 2.023 12.987 ( -7.068 6.590 -7.167) 12.031 13.271 ( -6.439 11.194 -2.774) 13.208 13.710 ( 4.066 8.381 3.461) 9.938 14.058 ( 5.761 10.310 -2.407) 12.053 14.629 ( 10.633 19.885 -1.044) 22.573 17.950 ( -7.926 12.471 -4.903) 15.569 18.171 ( 13.605 11.516 -7.339) 19.276 19.514 ( -12.797 -11.913 7.548) 19.044 19.931 ( 5.808 -8.618 3.360) 10.923 23.368 ( -1.896 -2.913 -2.899) 4.526 24.260 ( 0.065 -9.835 -1.166) 9.905 ======================= Grid point 508 (251/294) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.393 ( -3.245 -3.121 23.433) 23.862 4.030 ( 10.251 -2.863 18.131) 21.024 4.181 ( -3.616 -11.892 -14.239) 18.901 4.760 ( -0.755 -2.618 -10.681) 11.023 5.309 ( -0.983 9.984 2.580) 10.359 5.559 ( 3.048 4.096 3.209) 6.030 6.270 ( -1.134 -10.837 0.665) 10.916 6.504 ( -7.987 -4.558 -1.098) 9.261 7.008 ( -6.049 -1.409 -1.823) 6.473 7.811 ( 1.915 -3.527 -1.893) 4.437 8.089 ( -2.732 7.571 5.528) 9.764 8.793 ( -5.544 -9.672 -1.358) 11.231 9.540 ( 7.711 -0.724 0.301) 7.751 10.203 ( -2.956 -18.194 0.449) 18.438 11.048 ( 9.364 -15.260 7.160) 19.282 11.597 ( -14.163 4.723 -5.274) 15.834 12.070 ( 12.303 -9.260 10.969) 18.905 12.358 ( -9.294 -4.346 -1.345) 10.348 12.656 ( -0.836 -0.278 -3.438) 3.549 12.894 ( -7.712 7.714 -3.091) 11.337 13.233 ( -4.380 5.730 -1.606) 7.389 13.782 ( -4.449 4.301 4.940) 7.918 14.330 ( 13.426 12.963 -2.198) 18.791 14.968 ( 10.531 16.023 -1.133) 19.207 17.903 ( -5.940 8.196 -2.295) 10.379 18.487 ( 13.712 12.357 -3.421) 18.773 19.246 ( -12.959 -8.641 6.739) 16.971 19.930 ( 3.024 -9.396 0.125) 9.871 23.289 ( -2.189 -3.075 -1.952) 4.250 24.151 ( -1.322 -8.092 -3.041) 8.745 ======================= Grid point 509 (252/294) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.450 ( -1.150 -0.793 11.609) 11.693 3.855 ( -5.863 -8.945 -14.301) 17.858 4.277 ( 3.082 0.964 9.909) 10.422 4.668 ( 3.392 -9.522 -7.286) 12.460 5.362 ( -1.253 6.808 -2.280) 7.288 5.682 ( 4.018 0.722 6.597) 7.758 6.097 ( -4.990 -7.846 -5.501) 10.804 6.382 ( -4.363 -4.095 6.204) 8.619 6.898 ( -4.599 -2.622 -0.375) 5.307 7.781 ( 1.013 -4.630 -3.924) 6.153 8.159 ( -4.643 8.976 8.455) 13.176 8.670 ( -3.586 -1.311 5.416) 6.626 9.576 ( 1.644 -4.987 -9.173) 10.570 10.019 ( 1.950 -9.990 -7.063) 12.389 11.161 ( 10.232 -12.564 6.329) 17.395 11.356 ( -15.965 8.970 -6.677) 19.492 12.109 ( -6.739 -3.749 0.257) 7.716 12.291 ( 9.945 -11.762 8.958) 17.818 12.570 ( -7.238 2.428 -5.325) 9.308 12.885 ( -0.939 5.569 3.389) 6.586 13.249 ( 2.821 0.672 1.085) 3.097 13.754 ( -5.050 0.900 5.530) 7.542 14.627 ( 8.428 12.757 -0.964) 15.320 15.236 ( 7.747 10.963 -1.276) 13.484 17.886 ( -2.551 2.683 2.031) 4.222 18.755 ( 5.789 7.921 3.114) 10.294 19.054 ( -6.149 -1.613 1.542) 6.542 19.862 ( 0.801 -9.523 -2.812) 9.962 23.229 ( -1.042 -1.526 -1.435) 2.340 24.040 ( -1.824 -4.948 -4.641) 7.025 ======================= Grid point 510 (253/294) ======================= q-point: (-0.25 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.417 ( -7.131 1.098 -5.093) 8.831 3.717 ( 3.863 -3.189 -2.222) 5.480 4.225 ( -11.597 4.678 -11.004) 16.657 4.659 ( 9.193 -12.528 4.431) 16.159 5.390 ( -1.665 7.842 -3.971) 8.947 5.715 ( -1.210 -8.543 8.104) 11.837 5.986 ( 1.236 -2.004 -3.697) 4.383 6.360 ( 1.389 -3.380 6.184) 7.183 6.800 ( -3.600 -5.490 2.036) 6.874 7.716 ( -1.303 -4.478 -1.194) 4.814 8.190 ( -4.887 6.269 5.560) 9.700 8.721 ( -2.890 10.276 10.454) 14.941 9.401 ( -3.014 -11.465 -12.407) 17.160 10.018 ( 7.250 2.570 -13.336) 15.395 11.022 ( -13.620 1.508 -4.486) 14.419 11.300 ( -0.981 2.816 -6.151) 6.835 11.997 ( -2.457 -4.395 3.536) 6.152 12.339 ( 2.625 -12.827 1.672) 13.199 12.487 ( -0.431 1.193 2.781) 3.056 12.991 ( 3.367 4.265 8.634) 10.202 13.324 ( 6.612 -5.140 2.406) 8.713 13.726 ( -2.001 -1.136 5.765) 6.207 14.802 ( -0.068 10.357 -0.407) 10.366 15.405 ( 4.382 6.069 -1.176) 7.577 17.890 ( 0.593 -4.238 6.686) 7.938 18.811 ( -6.024 2.762 8.821) 11.033 19.077 ( 4.822 4.032 -4.079) 7.493 19.759 ( -0.626 -6.901 -5.200) 8.664 23.218 ( 1.070 0.910 -1.351) 1.949 23.955 ( -1.058 -1.012 -5.587) 5.776 ======================= Grid point 517 (254/294) ======================= q-point: ( 0.33 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( 1.525 -1.627 29.138) 29.223 3.700 ( -11.755 0.202 24.082) 26.799 4.605 ( -1.228 -3.537 -8.257) 9.067 4.904 ( 2.155 7.583 4.594) 9.124 5.171 ( 3.740 -1.845 4.395) 6.058 5.513 ( -6.459 9.983 -11.459) 16.513 6.125 ( 3.461 -11.188 9.937) 15.359 6.752 ( 7.926 -8.496 -4.612) 12.501 7.006 ( 6.030 -1.565 3.767) 7.280 7.712 ( 0.602 -2.813 -2.490) 3.805 8.253 ( 4.132 5.988 -0.205) 7.278 9.114 ( -0.756 -3.655 -7.344) 8.238 9.566 ( -8.552 0.676 0.227) 8.582 10.521 ( 7.442 -27.047 4.185) 28.363 10.787 ( 5.264 -4.809 9.509) 11.885 11.894 ( -3.932 -14.029 -3.676) 15.027 12.128 ( 3.374 5.114 3.627) 7.120 12.475 ( 13.478 -0.387 -0.876) 13.512 12.632 ( 3.016 3.631 -1.543) 4.966 12.852 ( 1.442 0.453 2.738) 3.127 13.153 ( -1.499 5.481 -0.984) 5.767 13.662 ( -1.803 10.929 3.127) 11.509 14.036 ( -6.370 6.095 -2.446) 9.149 14.749 ( -17.815 15.092 -4.583) 23.794 17.608 ( 1.217 5.025 1.046) 5.276 18.539 ( -12.783 13.063 -12.180) 21.964 19.264 ( 17.558 -11.952 12.424) 24.607 20.083 ( -2.982 -5.840 0.299) 6.564 23.417 ( 1.759 -0.943 -4.407) 4.838 24.251 ( 3.208 -8.904 -1.043) 9.521 ======================= Grid point 518 (255/294) ======================= q-point: ( 0.42 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( 7.239 -5.283 29.944) 31.257 3.669 ( -10.851 -1.351 28.167) 30.215 4.456 ( -1.671 -7.790 -12.299) 14.654 5.004 ( 1.264 1.580 -5.590) 5.945 5.225 ( 2.548 0.716 0.989) 2.825 5.483 ( -4.966 15.271 -3.575) 16.452 6.149 ( 4.532 -9.616 9.523) 14.272 6.742 ( 4.403 -9.401 -4.583) 11.347 7.086 ( 4.208 -2.652 -0.043) 4.974 7.700 ( 2.867 -0.239 -1.420) 3.208 8.308 ( -3.392 1.922 -2.191) 4.472 8.998 ( -3.464 -4.570 -2.491) 6.253 9.444 ( -4.768 -2.308 1.831) 5.604 10.359 ( 3.145 -29.291 8.572) 30.681 10.945 ( 8.803 -5.379 9.502) 14.026 11.636 ( -5.930 -18.503 1.962) 19.528 12.170 ( -2.068 4.067 -3.431) 5.709 12.598 ( 0.586 -5.078 3.299) 6.083 12.739 ( 6.047 3.356 -4.209) 8.096 12.922 ( 6.521 2.715 -4.177) 8.206 13.222 ( 4.392 10.262 -3.874) 11.816 13.719 ( -6.054 10.445 1.695) 12.191 14.063 ( -0.558 10.960 -0.326) 10.979 14.630 ( -12.155 18.906 -2.058) 22.570 17.750 ( 7.008 10.056 -0.799) 12.283 18.377 ( -13.463 14.867 -11.492) 23.116 19.478 ( 13.866 -13.868 8.860) 21.519 19.952 ( -5.591 -7.499 3.092) 9.851 23.393 ( 0.476 -2.410 -4.055) 4.741 24.204 ( 2.715 -11.070 0.576) 11.413 ======================= Grid point 519 (256/294) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.505 ( 4.857 -9.073 25.331) 27.342 3.690 ( -2.335 -3.651 29.776) 30.090 4.262 ( -1.131 -11.341 -16.041) 19.678 4.904 ( -5.026 -0.225 -10.283) 11.448 5.319 ( 3.637 5.191 1.441) 6.500 5.547 ( -3.637 13.323 -0.561) 13.822 6.193 ( 4.650 -9.395 6.652) 12.415 6.665 ( -0.693 -7.558 -3.401) 8.317 7.089 ( 1.728 -3.073 -4.648) 5.834 7.782 ( 3.095 3.150 2.054) 4.871 8.180 ( -6.622 -1.328 -3.814) 7.757 8.887 ( -1.353 -8.948 -3.032) 9.544 9.426 ( -0.651 0.991 8.090) 8.176 10.209 ( 2.229 -25.226 11.678) 27.887 10.977 ( -0.777 -12.093 2.079) 12.295 11.492 ( 6.315 -16.467 10.731) 20.645 12.121 ( -5.762 5.642 -6.119) 10.123 12.541 ( -1.474 -7.817 1.890) 8.176 12.725 ( -4.400 1.723 -3.097) 5.650 13.017 ( 3.458 4.012 -8.652) 10.145 13.414 ( 3.285 12.735 -3.965) 13.737 13.740 ( 1.341 9.470 -0.382) 9.572 14.121 ( -4.102 9.092 -1.142) 10.040 14.734 ( 1.193 21.411 1.407) 21.491 17.965 ( 8.036 9.669 -7.301) 14.539 18.287 ( -8.326 17.623 -3.139) 19.742 19.497 ( 1.821 -16.176 0.442) 16.284 19.859 ( -1.541 -6.214 8.165) 10.376 23.344 ( -0.566 -3.294 -2.752) 4.330 24.139 ( 1.667 -11.552 0.966) 11.711 ======================= Grid point 520 (257/294) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.543 ( -3.741 -8.360 20.510) 22.462 3.903 ( 11.491 -8.723 21.506) 25.897 4.022 ( -2.024 -11.411 -13.432) 17.740 4.769 ( -6.410 2.074 -7.445) 10.041 5.411 ( 0.844 3.126 0.803) 3.336 5.611 ( -1.416 11.333 -0.443) 11.430 6.163 ( 0.594 -10.706 -0.185) 10.724 6.560 ( -3.809 -4.675 0.168) 6.033 7.035 ( -1.676 -2.490 -5.271) 6.066 7.788 ( -3.776 0.850 -3.064) 4.936 8.166 ( 4.293 3.474 2.408) 6.024 8.762 ( -1.574 -8.874 0.200) 9.015 9.493 ( 0.945 0.607 6.929) 7.020 10.074 ( -1.353 -20.140 7.438) 21.512 10.841 ( 2.070 -13.833 3.301) 14.371 11.586 ( 10.511 -13.645 10.369) 20.105 12.032 ( -6.343 4.643 -3.908) 8.779 12.420 ( -5.409 -6.818 -0.994) 8.760 12.665 ( -2.417 2.266 -3.034) 4.492 13.018 ( -2.133 5.424 -6.488) 8.722 13.400 ( -9.368 7.617 -4.946) 13.048 13.928 ( -0.646 8.636 4.664) 9.836 14.185 ( 10.753 9.102 -6.262) 15.417 15.004 ( 5.963 18.354 1.970) 19.398 18.014 ( -2.460 7.392 -10.890) 13.390 18.465 ( 5.920 18.039 4.480) 19.506 19.308 ( -4.714 -13.903 -2.612) 14.911 19.834 ( -0.327 -8.045 6.726) 10.491 23.285 ( -1.518 -2.914 -1.013) 3.439 24.059 ( 0.609 -9.889 0.195) 9.909 ======================= Grid point 521 (258/294) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.522 ( -1.948 -5.516 9.837) 11.445 3.773 ( -3.682 -8.285 -9.237) 12.943 4.179 ( 12.950 -10.341 19.127) 25.307 4.628 ( -7.749 1.869 -7.586) 11.004 5.419 ( -1.199 3.207 -2.979) 4.538 5.697 ( 0.509 5.226 1.954) 5.602 6.041 ( -2.178 -7.843 -4.241) 9.178 6.452 ( -5.106 -4.709 2.670) 7.441 6.931 ( -4.026 -3.691 -3.372) 6.419 7.722 ( -1.039 -0.410 -4.422) 4.561 8.308 ( 2.419 5.896 5.113) 8.170 8.718 ( 1.362 -1.650 6.061) 6.428 9.498 ( -2.493 -5.401 -0.061) 5.949 9.898 ( -2.316 -9.515 -0.349) 9.799 10.883 ( 12.209 -11.675 7.304) 18.404 11.591 ( -5.119 -2.516 -0.846) 5.767 12.012 ( 4.773 -6.464 4.951) 9.439 12.243 ( -7.496 -5.230 -2.771) 9.551 12.642 ( -1.802 2.651 -2.863) 4.298 12.996 ( -3.538 6.372 -2.304) 7.644 13.293 ( -5.886 4.403 -4.020) 8.378 13.897 ( -8.197 1.566 4.380) 9.425 14.510 ( 16.946 10.426 -4.511) 20.402 15.252 ( 4.849 13.249 1.109) 14.152 17.962 ( -3.921 4.119 -5.812) 8.131 18.757 ( 6.801 12.854 4.552) 15.238 19.106 ( -3.624 -8.034 -4.011) 9.683 19.767 ( -1.461 -9.438 3.634) 10.219 23.237 ( -1.619 -1.037 0.181) 1.931 23.984 ( -0.170 -6.269 -0.833) 6.326 ======================= Grid point 522 (259/294) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.488 ( -2.506 2.538 -5.274) 6.367 3.653 ( -0.531 -6.347 4.832) 7.995 4.283 ( 1.026 -8.453 -2.483) 8.870 4.531 ( -1.214 0.742 4.891) 5.094 5.438 ( 1.066 6.361 -4.499) 7.864 5.711 ( -1.740 -4.434 4.714) 6.702 5.920 ( -1.253 -3.809 -7.037) 8.099 6.363 ( -2.264 -5.390 4.473) 7.361 6.807 ( -3.797 -6.109 -1.197) 7.292 7.694 ( -0.216 0.423 -1.234) 1.322 8.368 ( -4.340 4.063 5.908) 8.382 8.859 ( 5.051 7.167 8.141) 11.965 9.301 ( -5.840 -11.714 -6.348) 14.548 9.894 ( 3.942 5.723 -4.117) 8.077 11.009 ( 8.176 -7.013 1.402) 10.862 11.433 ( -11.018 3.747 -3.025) 12.025 12.022 ( -2.982 -5.144 -1.128) 6.052 12.110 ( 5.067 -13.881 4.062) 15.325 12.602 ( -5.129 4.561 -2.266) 7.228 13.018 ( 0.755 3.230 3.651) 4.933 13.262 ( 0.330 1.840 -1.999) 2.737 13.795 ( -6.152 -2.903 3.714) 7.750 14.799 ( 10.078 7.833 -2.696) 13.045 15.413 ( 2.469 8.102 0.249) 8.473 17.896 ( -2.853 -2.527 -0.594) 3.857 18.880 ( 0.538 -1.965 -0.955) 2.250 19.072 ( 1.570 5.632 0.702) 5.889 19.680 ( -0.653 -6.695 0.798) 6.774 23.224 ( -0.513 1.682 0.425) 1.809 23.933 ( -0.502 -1.700 -1.613) 2.397 ======================= Grid point 530 (260/294) ======================= q-point: ( 0.33 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( -2.843 -0.036 18.850) 19.063 3.918 ( -2.681 -2.625 8.971) 9.724 4.562 ( -0.141 1.930 -8.204) 8.429 4.823 ( 3.721 -5.253 -10.276) 12.125 5.187 ( -1.355 -1.195 10.481) 10.635 5.652 ( -4.376 9.105 -3.186) 10.592 6.009 ( 4.685 -11.426 8.693) 15.102 6.557 ( 5.524 -5.645 0.124) 7.899 6.916 ( 6.093 -1.906 2.743) 6.948 7.688 ( -1.045 -1.463 -0.495) 1.865 8.242 ( 4.873 8.459 -1.433) 9.867 8.934 ( 8.365 -3.187 -9.578) 13.109 9.740 ( -8.303 -0.406 -5.393) 9.909 10.210 ( 1.123 -21.147 -0.791) 21.191 10.792 ( 2.337 0.230 10.541) 10.799 11.792 ( -2.336 -11.918 -4.636) 12.999 12.074 ( 12.746 4.824 0.070) 13.629 12.231 ( 8.839 -4.546 1.852) 10.111 12.636 ( -1.110 0.355 -1.022) 1.550 12.885 ( 0.179 4.303 3.654) 5.648 13.228 ( -4.404 -1.225 3.248) 5.608 13.817 ( 0.913 13.423 8.507) 15.918 14.175 ( -7.188 4.289 -4.872) 9.685 15.105 ( -13.693 11.759 -3.582) 18.401 17.694 ( -2.698 5.812 5.245) 8.281 18.709 ( 2.287 2.470 3.197) 4.643 19.030 ( 3.208 -1.522 0.157) 3.554 20.039 ( 0.330 -6.780 -2.817) 7.349 23.348 ( 1.950 -1.198 -4.173) 4.759 24.117 ( 2.348 -7.160 -2.755) 8.023 ======================= Grid point 531 (261/294) ======================= q-point: ( 0.42 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.318 ( 2.487 -4.567 23.295) 23.868 3.915 ( -3.297 -2.671 12.781) 13.467 4.374 ( -8.306 -9.391 -7.928) 14.834 4.863 ( 9.498 0.169 -14.780) 17.569 5.207 ( -0.751 -1.689 6.709) 6.959 5.675 ( -2.783 12.390 -2.587) 12.959 6.037 ( 4.908 -9.777 8.037) 13.575 6.575 ( 3.985 -6.676 0.441) 7.788 6.993 ( 4.514 -2.878 -0.451) 5.372 7.667 ( 1.053 0.844 -0.448) 1.422 8.351 ( -0.369 6.026 -4.016) 7.251 8.926 ( 1.562 -4.685 -7.558) 9.028 9.552 ( -8.114 -3.391 0.100) 8.795 10.063 ( 6.027 -24.156 5.195) 25.432 10.923 ( 2.127 0.318 14.830) 14.985 11.572 ( -6.078 -14.989 -2.275) 16.333 12.173 ( 1.657 -2.094 1.041) 2.866 12.470 ( 16.791 1.017 -3.170) 17.118 12.609 ( 0.370 -1.008 -3.578) 3.735 12.919 ( -1.392 4.294 -1.408) 4.728 13.214 ( 2.055 3.499 -0.895) 4.156 13.885 ( -4.850 2.737 1.093) 5.675 14.215 ( -1.311 18.017 1.320) 18.113 14.986 ( -13.242 14.349 -2.033) 19.631 17.778 ( 1.628 8.663 2.623) 9.197 18.652 ( -11.260 13.639 -9.794) 20.217 19.184 ( 13.704 -11.380 9.790) 20.327 19.945 ( -1.301 -7.994 -0.402) 8.109 23.326 ( 1.164 -3.181 -4.002) 5.243 24.073 ( 2.163 -8.802 0.642) 9.087 ======================= Grid point 532 (262/294) ======================= q-point: ( 0.50 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.453 ( 5.172 -9.861 21.754) 24.438 3.894 ( -4.884 -5.278 13.086) 14.932 4.107 ( -5.841 -11.147 -7.293) 14.545 4.901 ( 2.133 2.555 -8.787) 9.396 5.242 ( 4.482 -1.816 2.727) 5.552 5.737 ( -2.936 13.745 -4.466) 14.748 6.075 ( 4.439 -9.229 7.368) 12.617 6.568 ( 2.504 -5.517 -1.439) 6.227 6.999 ( 2.200 -3.200 -4.022) 5.591 7.759 ( 6.081 3.761 3.327) 7.886 8.252 ( -9.020 -0.252 -9.777) 13.304 8.818 ( -2.509 -7.215 -4.898) 9.075 9.482 ( -0.199 -2.094 6.326) 6.666 10.009 ( 5.585 -19.833 12.726) 24.217 10.972 ( -5.263 -6.218 10.609) 13.376 11.353 ( -0.940 -15.547 5.640) 16.565 12.163 ( -0.341 0.985 -5.066) 5.173 12.506 ( -1.854 -6.864 0.881) 7.164 12.718 ( 7.893 0.494 -4.152) 8.932 12.931 ( 1.802 6.635 -8.658) 11.055 13.366 ( 10.219 10.110 -4.468) 15.053 13.818 ( -3.804 1.909 -3.144) 5.292 14.330 ( -6.965 14.217 1.899) 15.945 14.968 ( -5.684 17.395 1.101) 18.334 17.917 ( 4.685 9.035 -3.624) 10.804 18.571 ( -9.231 16.575 -4.629) 19.528 19.266 ( 6.637 -14.919 0.460) 16.336 19.874 ( -0.721 -6.507 5.866) 8.790 23.289 ( 1.007 -3.734 -2.652) 4.690 24.027 ( 1.158 -9.509 3.212) 10.104 ======================= Grid point 533 (263/294) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.530 ( 3.848 -12.723 10.988) 17.245 3.828 ( -0.458 -7.988 1.884) 8.220 3.941 ( -3.235 -8.801 12.643) 15.740 4.874 ( -5.271 4.379 -2.908) 7.444 5.338 ( 7.154 -2.472 0.920) 7.625 5.772 ( -4.102 12.800 -5.631) 14.573 6.068 ( 0.873 -9.228 3.392) 9.870 6.540 ( 0.658 -3.567 -2.279) 4.283 6.973 ( 1.287 -2.554 -5.693) 6.371 7.889 ( -3.936 4.081 0.409) 5.684 8.068 ( 3.453 -2.298 -6.837) 7.997 8.694 ( -0.647 -8.237 -0.905) 8.311 9.530 ( 1.527 -1.825 7.904) 8.255 10.000 ( 0.311 -13.465 16.433) 21.248 10.783 ( -7.823 -11.115 2.646) 13.847 11.351 ( 8.223 -14.952 13.673) 21.866 12.121 ( -2.815 2.585 -6.504) 7.544 12.410 ( -2.341 -5.574 -1.898) 6.336 12.726 ( -3.181 2.370 -3.148) 5.064 12.991 ( 4.247 4.611 -9.206) 11.138 13.543 ( -1.695 7.373 -6.023) 9.670 13.869 ( 12.920 7.798 -4.585) 15.772 14.277 ( -11.528 7.772 0.015) 13.903 15.120 ( 1.810 16.296 2.787) 16.631 18.014 ( 2.114 8.284 -10.965) 13.904 18.639 ( -1.732 16.924 4.194) 17.522 19.147 ( 0.831 -15.708 -7.690) 17.509 19.848 ( -1.848 -6.594 9.208) 11.475 23.263 ( 0.599 -2.680 -0.486) 2.788 23.975 ( 0.259 -8.465 4.142) 9.428 ======================= Grid point 534 (264/294) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.495 ( 1.328 -6.400 -0.674) 6.571 3.742 ( -3.125 -6.891 3.806) 8.470 4.007 ( 8.035 -12.838 21.391) 26.210 4.778 ( -9.300 4.372 -2.064) 10.482 5.400 ( 3.013 -0.898 -2.263) 3.874 5.778 ( -3.247 6.613 -3.660) 8.226 5.994 ( -1.734 -5.059 -1.117) 5.463 6.480 ( -2.830 -3.714 -1.637) 4.948 6.909 ( -1.330 -4.144 -5.839) 7.283 7.763 ( -5.771 1.784 -4.386) 7.465 8.227 ( 11.989 1.565 -0.411) 12.098 8.662 ( 4.286 -4.899 2.701) 7.047 9.528 ( -4.389 -7.554 6.510) 10.895 9.951 ( -6.102 -2.737 13.166) 14.767 10.679 ( 4.968 -9.163 5.532) 11.800 11.438 ( 9.852 -15.404 10.138) 20.908 12.043 ( -4.919 1.587 -4.414) 6.797 12.290 ( -5.685 -2.570 -5.167) 8.101 12.680 ( -2.490 2.674 -2.348) 4.343 13.035 ( 2.029 4.562 -6.194) 7.955 13.437 ( -9.414 4.386 -7.268) 12.676 14.106 ( -10.360 4.240 2.815) 11.543 14.254 ( 18.910 7.703 -7.066) 21.606 15.315 ( 3.418 11.690 2.296) 12.394 18.014 ( -2.388 6.624 -10.663) 12.779 18.799 ( 2.763 2.951 -2.417) 4.710 19.002 ( 1.804 -2.650 -2.332) 3.964 19.783 ( -4.469 -7.764 8.533) 12.372 23.253 ( -0.319 -0.493 1.347) 1.470 23.936 ( 0.049 -5.297 3.854) 6.551 ======================= Grid point 536 (265/294) ======================= q-point: (-0.25 -0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.487 ( 1.729 2.268 -3.205) 4.290 3.657 ( -3.241 -7.574 7.579) 11.194 4.120 ( 6.961 -14.585 13.225) 20.883 4.672 ( -7.670 6.113 0.094) 9.808 5.425 ( 2.424 3.100 -4.032) 5.634 5.739 ( -2.774 -1.647 -0.917) 3.354 5.893 ( -4.325 -1.790 -6.529) 8.034 6.377 ( -3.586 -5.398 1.216) 6.594 6.791 ( -3.086 -5.651 -5.172) 8.259 7.727 ( -1.137 4.399 0.113) 4.544 8.400 ( 6.627 0.768 0.816) 6.721 8.777 ( 10.514 0.130 0.953) 10.558 9.321 ( -10.804 -11.020 3.365) 15.795 9.979 ( -2.714 8.209 10.775) 13.815 10.796 ( 11.424 -5.549 5.618) 13.887 11.469 ( 3.969 -11.502 3.296) 12.606 11.960 ( -2.405 -2.576 -0.532) 3.564 12.115 ( -8.706 -1.486 -6.883) 11.198 12.668 ( -1.114 2.200 -0.989) 2.657 13.073 ( 0.095 4.910 -2.257) 5.405 13.294 ( -5.509 2.513 -6.799) 9.104 13.932 ( -11.598 -1.865 1.503) 11.843 14.607 ( 18.001 5.929 -4.653) 19.515 15.460 ( 1.965 7.174 1.634) 7.616 17.927 ( -5.547 -0.357 -6.766) 8.756 18.738 ( 5.689 -7.484 -14.020) 16.880 19.133 ( 1.327 7.838 7.870) 11.186 19.686 ( -3.907 -5.708 6.486) 9.482 23.261 ( -0.709 2.184 1.939) 3.005 23.927 ( -0.085 -1.061 3.058) 3.238 ======================= Grid point 543 (266/294) ======================= q-point: ( 0.33 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.365 ( -4.794 1.942 8.321) 9.797 3.869 ( 3.442 -4.574 -5.320) 7.814 4.374 ( 15.039 -1.262 -17.728) 23.282 4.769 ( -8.736 -7.592 -1.012) 11.618 5.282 ( -1.914 1.812 9.448) 9.809 5.753 ( -0.955 1.901 0.797) 2.272 5.913 ( 0.187 -6.754 6.874) 9.638 6.451 ( 3.956 -2.800 1.581) 5.098 6.813 ( 5.789 -4.107 5.194) 8.796 7.710 ( -2.266 0.142 1.044) 2.499 8.237 ( 5.373 9.965 -1.322) 11.398 8.730 ( 8.851 0.655 -5.834) 10.621 9.670 ( 2.598 -11.200 -8.771) 14.461 10.158 ( -11.591 -6.267 -9.486) 16.236 10.753 ( 7.762 2.001 -0.941) 8.071 11.604 ( 12.588 -6.498 -7.978) 16.258 11.964 ( 1.697 2.000 3.635) 4.482 12.152 ( -0.201 -6.978 8.882) 11.297 12.658 ( -2.166 -0.199 -0.113) 2.178 12.952 ( 0.415 6.152 3.711) 7.196 13.310 ( -6.238 -5.824 6.427) 10.683 13.981 ( -0.174 8.691 12.548) 15.265 14.277 ( -3.491 5.813 -5.797) 8.921 15.358 ( -8.399 8.042 -2.586) 11.912 17.845 ( -4.865 3.894 7.727) 9.926 18.565 ( 14.874 -6.192 18.817) 24.772 19.128 ( -9.561 8.195 -11.867) 17.303 19.915 ( 2.873 -8.158 -5.842) 10.438 23.297 ( 0.319 -0.174 -3.474) 3.493 24.015 ( 1.063 -3.739 -4.783) 6.163 ======================= Grid point 544 (267/294) ======================= q-point: ( 0.42 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.392 ( -1.155 -1.467 14.238) 14.360 3.857 ( 4.659 -5.776 -6.606) 9.935 4.410 ( -1.112 -10.573 -2.218) 10.860 4.617 ( 3.944 1.768 -11.863) 12.626 5.299 ( -4.411 1.014 8.955) 10.034 5.757 ( -0.009 4.743 -3.861) 6.115 5.925 ( 3.637 -7.895 8.476) 12.141 6.478 ( 3.096 -4.629 0.346) 5.580 6.885 ( 4.887 -4.305 1.923) 6.791 7.675 ( -1.316 0.678 -0.027) 1.481 8.385 ( 1.492 7.463 -3.265) 8.281 8.819 ( 4.153 1.593 -5.226) 6.863 9.541 ( 0.730 -13.249 -4.261) 13.937 9.894 ( -5.430 -8.417 -0.605) 10.035 10.933 ( 8.624 3.648 3.776) 10.097 11.560 ( -6.318 -9.542 0.882) 11.478 12.087 ( 7.894 -2.490 -0.036) 8.278 12.190 ( 10.913 -2.546 -0.242) 11.209 12.617 ( -3.059 -0.674 -0.427) 3.161 12.986 ( -2.502 3.902 -0.480) 4.660 13.229 ( -2.154 -1.257 2.980) 3.886 13.945 ( -4.189 -5.166 -0.137) 6.652 14.428 ( 0.340 20.856 3.559) 21.160 15.277 ( -10.001 9.629 -1.672) 13.984 17.864 ( -1.540 3.808 4.514) 6.103 18.806 ( 4.031 2.245 5.665) 7.306 19.026 ( -1.163 2.250 -1.854) 3.139 19.843 ( 2.386 -8.696 -4.026) 9.876 23.266 ( -0.059 -2.193 -3.094) 3.793 23.982 ( 1.522 -4.670 -0.620) 4.951 ======================= Grid point 545 (268/294) ======================= q-point: ( 0.50 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.438 ( 0.213 -7.149 14.301) 15.989 3.811 ( 2.817 -6.313 -9.394) 11.663 4.226 ( -10.791 -8.691 12.531) 18.681 4.723 ( 12.995 1.872 -11.305) 17.326 5.277 ( -5.006 1.364 6.262) 8.132 5.803 ( 2.600 5.970 -6.343) 9.090 5.972 ( 4.141 -6.798 7.787) 11.136 6.473 ( 2.490 -4.395 -2.588) 5.676 6.908 ( 2.956 -4.054 -1.632) 5.276 7.712 ( 4.090 1.144 2.353) 4.855 8.330 ( -7.193 -0.227 -9.558) 11.965 8.795 ( -4.050 0.129 -7.361) 8.403 9.453 ( 2.477 -8.375 4.304) 9.737 9.851 ( 4.399 -7.322 10.577) 13.595 11.086 ( 0.494 -2.770 12.635) 12.944 11.315 ( -9.465 -9.701 -0.001) 13.553 12.109 ( 2.245 -4.247 -1.250) 4.964 12.423 ( 14.426 -2.044 -2.620) 14.804 12.538 ( -0.933 -1.618 -3.263) 3.760 12.973 ( -2.438 6.191 -6.110) 9.034 13.273 ( 6.066 4.368 -1.659) 7.657 13.841 ( -2.331 -3.037 -3.840) 5.422 14.590 ( -5.324 15.374 2.963) 16.537 15.220 ( -7.581 11.555 0.332) 13.824 17.917 ( 1.967 4.243 -1.464) 4.901 18.814 ( -6.529 11.991 -4.471) 14.367 19.065 ( 3.901 -8.662 2.114) 9.732 19.812 ( 3.762 -6.790 2.305) 8.097 23.230 ( 0.426 -2.488 -1.668) 3.025 23.964 ( 0.821 -5.464 3.540) 6.562 ======================= Grid point 546 (269/294) ======================= q-point: ( 0.58 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.424 ( 0.807 -10.304 7.051) 12.512 3.763 ( 1.448 -3.020 -0.580) 3.399 4.066 ( -9.311 -9.341 15.745) 20.540 4.891 ( 8.622 2.792 -3.796) 9.826 5.256 ( -1.250 -0.122 3.750) 3.955 5.848 ( 1.418 3.729 -6.390) 7.534 6.006 ( 1.439 -3.734 3.439) 5.276 6.458 ( 2.828 -2.243 -5.035) 6.196 6.894 ( 1.633 -3.282 -3.952) 5.390 7.835 ( 8.548 -1.735 1.450) 8.842 8.099 ( -10.851 -0.413 -9.769) 14.606 8.649 ( -4.625 -4.573 -4.902) 8.144 9.501 ( 4.454 -5.090 9.944) 12.026 9.970 ( 5.040 -3.848 16.053) 17.260 10.908 ( -14.626 -10.534 5.113) 18.736 11.243 ( 1.076 -8.607 12.956) 15.592 12.095 ( 1.724 -0.953 -6.250) 6.553 12.391 ( -2.841 -4.234 -1.602) 5.344 12.674 ( 10.434 0.046 -4.012) 11.179 12.947 ( -1.571 6.822 -9.982) 12.192 13.478 ( 12.565 7.962 -5.371) 15.815 13.767 ( 0.050 -0.264 -6.530) 6.535 14.559 ( -12.433 7.869 0.894) 14.741 15.268 ( -1.622 11.819 2.122) 12.117 17.978 ( 3.469 5.561 -8.595) 10.809 18.811 ( -3.392 5.328 -4.532) 7.774 18.996 ( -1.075 -4.204 -1.147) 4.488 19.839 ( 2.160 -6.296 7.483) 10.015 23.223 ( 1.379 -1.235 0.365) 1.887 23.947 ( -0.397 -5.109 6.315) 8.133 ======================= Grid point 548 (270/294) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.397 ( 2.870 -6.957 3.136) 8.153 3.774 ( -1.725 -1.067 6.170) 6.494 3.963 ( -2.165 -12.672 18.561) 22.578 4.938 ( -4.672 3.211 -0.436) 5.686 5.299 ( 5.315 -0.681 -0.959) 5.444 5.823 ( -1.216 -2.316 -4.514) 5.217 5.997 ( -1.522 2.007 -2.288) 3.403 6.455 ( 0.914 -0.568 -4.694) 4.815 6.841 ( -0.255 -4.644 -6.237) 7.781 7.817 ( -2.807 -3.492 -8.231) 9.371 8.062 ( 6.842 3.426 1.883) 7.880 8.557 ( 2.079 -5.732 -0.172) 6.100 9.559 ( -0.798 -6.569 10.972) 12.813 10.095 ( 0.437 -1.523 18.129) 18.198 10.660 ( -7.660 -5.167 4.518) 10.285 11.255 ( 3.242 -12.689 13.367) 18.713 12.058 ( -0.741 -1.248 -6.219) 6.386 12.313 ( -2.474 0.282 -5.346) 5.898 12.730 ( -1.039 1.559 -2.539) 3.155 12.963 ( 4.411 4.583 -9.911) 11.777 13.552 ( -5.403 2.603 -7.267) 9.423 13.919 ( 20.141 6.419 -9.551) 23.197 14.389 ( -14.687 2.814 1.785) 15.060 15.381 ( 1.687 8.318 2.337) 8.804 18.023 ( 1.882 7.424 -11.806) 14.073 18.642 ( -2.198 -12.315 -16.489) 20.697 19.075 ( 1.134 10.527 9.619) 14.305 19.824 ( -2.286 -7.444 8.508) 11.534 23.253 ( 1.472 0.754 2.057) 2.639 23.938 ( -0.840 -2.940 7.279) 7.895 ======================= Grid point 549 (271/294) ======================= q-point: (-0.25 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.430 ( 4.703 -3.397 2.700) 6.399 3.720 ( -5.960 -7.235 10.770) 14.278 3.990 ( 4.079 -9.713 15.396) 18.655 4.856 ( -7.808 5.009 -0.704) 9.304 5.368 ( 4.502 1.528 -4.182) 6.332 5.735 ( -2.193 -3.688 -5.614) 7.065 5.944 ( -5.170 0.977 -3.777) 6.477 6.396 ( -3.599 -2.114 -2.062) 4.655 6.733 ( -1.285 -5.361 -8.391) 10.040 7.772 ( 1.526 3.481 -1.906) 4.252 8.238 ( 10.507 0.496 0.320) 10.523 8.609 ( 8.159 -2.963 1.622) 8.830 9.445 ( -10.165 -9.284 8.806) 16.343 10.179 ( -2.385 0.226 18.716) 18.868 10.665 ( 4.736 2.303 5.922) 7.925 11.276 ( 5.809 -13.149 8.789) 16.849 11.977 ( -2.635 -1.779 -5.469) 6.326 12.217 ( -7.296 3.097 -8.144) 11.364 12.698 ( -1.861 1.542 -1.887) 3.066 13.034 ( 5.533 3.008 -5.790) 8.555 13.399 ( -8.961 2.368 -8.746) 12.744 14.105 ( -7.308 0.600 -9.413) 11.932 14.329 ( 14.311 2.625 2.170) 14.711 15.492 ( 2.453 4.684 2.485) 5.842 17.984 ( -6.494 2.017 -10.475) 12.489 18.445 ( 6.960 -8.149 -19.737) 22.459 19.255 ( 0.643 7.762 11.780) 14.122 19.744 ( -4.364 -6.635 7.552) 10.959 23.301 ( 0.542 2.842 2.668) 3.935 23.957 ( -0.483 0.289 6.721) 6.745 ======================= Grid point 641 (272/294) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.109 ( 0.000 0.000 35.957) 35.957 3.143 ( 0.000 0.000 36.548) 36.548 4.302 ( 0.000 0.000 36.852) 36.852 5.021 ( -0.000 -0.000 -16.783) 16.783 5.140 ( -0.000 -0.000 -17.711) 17.711 5.259 ( 0.000 0.000 4.081) 4.081 6.427 ( 0.000 0.000 9.716) 9.716 6.758 ( 0.000 0.000 3.334) 3.334 7.417 ( -0.000 -0.000 -11.699) 11.699 8.056 ( 0.000 0.000 9.471) 9.471 8.166 ( 0.000 0.000 6.582) 6.582 8.721 ( 0.000 0.000 0.261) 0.261 9.816 ( -0.000 -0.000 -20.084) 20.084 11.198 ( 0.000 0.000 5.980) 5.980 11.484 ( 0.000 0.000 6.284) 6.284 11.771 ( -0.000 -0.000 -0.534) 0.534 12.314 ( -0.000 -0.000 -5.033) 5.033 12.611 ( 0.000 0.000 1.090) 1.090 12.705 ( -0.000 -0.000 -5.621) 5.621 12.845 ( -0.000 -0.000 -1.614) 1.614 12.930 ( 0.000 0.000 10.888) 10.888 13.535 ( -0.000 -0.000 -1.443) 1.443 13.553 ( -0.000 -0.000 -2.182) 2.182 13.887 ( 0.000 0.000 1.515) 1.515 17.666 ( -0.000 -0.000 -7.111) 7.111 17.911 ( -0.000 -0.000 -12.117) 12.117 19.933 ( 0.000 0.000 7.133) 7.133 20.088 ( 0.000 0.000 3.444) 3.444 23.466 ( -0.000 -0.000 -3.724) 3.724 24.522 ( 0.000 0.000 2.032) 2.032 ======================= Grid point 642 (273/294) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( -6.197 -3.185 36.917) 37.568 3.473 ( 7.515 5.283 31.361) 32.679 4.561 ( 5.424 1.443 24.404) 25.041 4.832 ( -5.443 -0.335 -14.715) 15.693 5.105 ( 6.255 -3.493 -14.315) 16.007 5.310 ( 0.815 3.947 0.964) 4.144 6.431 ( -5.528 -0.065 10.744) 12.083 6.810 ( 2.728 -0.743 0.032) 2.828 7.289 ( -6.354 -2.678 -8.922) 11.276 7.965 ( -12.338 -0.481 6.293) 13.859 8.177 ( 2.320 -8.042 1.447) 8.494 8.894 ( 11.484 8.714 5.139) 15.305 9.632 ( -4.804 -3.970 -17.227) 18.320 11.053 ( -10.976 -12.133 7.733) 18.096 11.430 ( -19.120 10.003 2.015) 21.673 11.819 ( 10.358 -9.470 1.745) 14.143 12.190 ( -3.359 -4.396 -0.345) 5.543 12.612 ( -2.452 -1.784 -0.270) 3.044 12.682 ( -5.620 5.597 0.662) 7.960 12.862 ( 8.384 -4.237 -2.084) 9.622 12.954 ( -3.677 -0.087 1.667) 4.038 13.539 ( -2.436 6.350 -0.919) 6.863 13.694 ( 13.749 1.255 -0.469) 13.814 14.059 ( 15.351 9.343 -1.533) 18.036 17.610 ( -2.843 1.579 -3.776) 4.984 17.977 ( 13.169 4.546 -12.456) 18.688 19.833 ( -12.810 -7.153 8.542) 16.977 20.119 ( 1.388 0.606 1.762) 2.324 23.444 ( -0.188 -0.376 -3.399) 3.425 24.489 ( -4.080 -1.742 1.087) 4.568 ======================= Grid point 643 (274/294) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.309 ( -6.153 -2.263 33.874) 34.503 3.819 ( 6.703 6.308 23.998) 25.702 4.603 ( -3.841 -3.088 -10.057) 11.200 4.799 ( 3.915 0.485 -1.481) 4.214 5.138 ( 8.784 -4.605 1.246) 9.996 5.359 ( 1.395 6.302 -3.718) 7.449 6.392 ( -9.187 2.096 11.354) 14.755 6.771 ( -1.946 -6.015 -6.256) 8.894 7.091 ( -8.725 -3.274 -1.757) 9.483 7.835 ( -8.510 3.197 4.789) 10.275 8.128 ( 2.724 -9.645 -1.998) 10.219 9.111 ( 0.892 0.789 -4.381) 4.540 9.504 ( 5.096 1.022 -3.887) 6.490 10.793 ( -11.324 -13.838 5.414) 18.683 11.159 ( -23.684 10.401 2.961) 26.036 11.829 ( 5.868 -14.544 -4.018) 16.190 12.211 ( -0.352 2.102 8.550) 8.812 12.517 ( -5.195 -5.037 -5.310) 8.976 12.594 ( -5.851 1.377 3.702) 7.059 12.858 ( -0.036 -3.408 -1.359) 3.669 13.030 ( 7.162 2.536 2.035) 7.866 13.579 ( 1.549 3.964 0.548) 4.291 13.919 ( 10.175 6.186 -0.613) 11.924 14.454 ( 21.226 11.321 -4.242) 24.427 17.595 ( -0.837 3.974 1.342) 4.278 18.212 ( 18.174 6.063 -12.933) 23.115 19.554 ( -17.925 -9.810 11.155) 23.280 20.138 ( -0.053 -0.177 -0.851) 0.870 23.405 ( -1.237 -1.542 -3.077) 3.657 24.378 ( -7.035 -2.358 -0.785) 7.461 ======================= Grid point 644 (275/294) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.382 ( -5.064 -1.286 25.821) 26.344 4.025 ( -1.637 3.358 8.611) 9.387 4.432 ( -0.968 -8.630 -11.985) 14.800 4.820 ( 2.648 3.572 -9.230) 10.245 5.248 ( 2.452 -2.104 9.127) 9.682 5.481 ( 8.989 5.858 -1.490) 10.832 6.285 ( -13.366 1.251 6.752) 15.027 6.606 ( -4.423 -7.652 -3.520) 9.513 6.960 ( -4.460 -2.626 1.243) 5.323 7.798 ( -5.811 5.734 5.823) 10.027 8.076 ( 3.955 -9.037 -3.442) 10.448 8.936 ( -7.631 -7.505 -7.858) 13.278 9.663 ( 7.508 3.047 -3.576) 8.857 10.492 ( -13.306 -7.933 -2.097) 15.633 10.969 ( -14.008 6.933 5.067) 16.430 11.773 ( 6.590 -14.566 -0.767) 16.006 12.091 ( -14.216 0.683 -8.032) 16.343 12.398 ( -7.428 0.002 8.294) 11.134 12.616 ( 2.746 1.193 2.330) 3.794 12.838 ( 1.762 -3.752 1.547) 4.424 13.204 ( 9.591 1.812 5.378) 11.144 13.654 ( 3.799 -0.200 3.600) 5.237 14.130 ( 6.857 10.625 -1.790) 12.771 14.855 ( 19.084 9.249 -4.254) 21.630 17.673 ( 2.679 4.415 5.990) 7.909 18.492 ( 17.397 6.303 -10.826) 21.438 19.240 ( -17.755 -9.213 11.884) 23.267 20.098 ( -2.476 -1.124 -3.686) 4.581 23.341 ( -1.908 -2.417 -2.621) 4.044 24.223 ( -7.734 -2.280 -3.078) 8.631 ======================= Grid point 645 (276/294) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.432 ( -2.705 -0.507 13.692) 13.965 3.926 ( -7.512 -3.137 -7.602) 11.138 4.257 ( -3.855 -7.536 -14.313) 16.629 4.871 ( 1.561 6.877 -3.192) 7.741 5.294 ( 1.033 -2.993 5.791) 6.600 5.692 ( 8.567 5.556 3.253) 10.716 6.095 ( -11.304 -1.467 1.715) 11.527 6.483 ( -2.603 -5.459 2.436) 6.520 6.893 ( -3.395 -2.066 3.299) 5.166 7.810 ( -5.291 6.263 7.865) 11.361 8.048 ( 5.356 -8.393 -3.685) 10.617 8.711 ( -6.608 -7.377 -3.676) 10.564 9.691 ( 0.335 -1.121 -9.777) 9.847 10.241 ( -7.007 -1.941 -9.604) 12.046 10.826 ( -12.015 3.201 -1.143) 12.487 11.605 ( -7.671 -14.788 -13.071) 21.175 11.980 ( 0.517 4.041 7.598) 8.622 12.328 ( -7.038 1.137 6.850) 9.886 12.677 ( 0.909 3.103 1.785) 3.694 12.867 ( 4.365 -4.790 5.007) 8.190 13.415 ( 5.940 5.108 7.726) 11.003 13.754 ( 10.088 -8.200 7.616) 15.067 14.300 ( 1.445 13.440 -2.349) 13.720 15.175 ( 14.245 6.160 -3.194) 15.845 17.826 ( 5.686 3.490 9.422) 11.544 18.709 ( 4.925 1.387 1.048) 5.223 19.006 ( -6.085 -2.799 3.243) 7.442 19.992 ( -5.286 -1.712 -6.435) 8.502 23.279 ( -1.038 -2.171 -2.201) 3.261 24.064 ( -6.126 -1.783 -5.398) 8.358 ======================= Grid point 654 (277/294) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.492 ( 0.222 -1.171 33.984) 34.005 3.584 ( 0.940 -0.520 32.306) 32.324 4.628 ( -0.283 -4.693 -1.100) 4.828 4.815 ( 1.580 6.891 3.162) 7.744 4.993 ( -5.373 5.203 -22.160) 23.388 5.343 ( 1.943 0.718 7.611) 7.887 6.474 ( 2.578 -7.279 10.567) 13.088 6.825 ( -2.065 2.606 -0.980) 3.466 7.249 ( 0.773 -2.973 -9.005) 9.515 7.981 ( 5.893 -12.886 3.659) 14.634 8.217 ( -8.047 -0.349 2.326) 8.384 8.886 ( 1.772 9.028 6.633) 11.342 9.528 ( -0.756 -4.697 -16.335) 17.014 11.088 ( -5.302 -19.023 8.228) 21.393 11.421 ( 15.490 -12.047 2.945) 19.843 11.862 ( -10.598 7.376 0.852) 12.940 12.092 ( -0.965 -14.798 0.024) 14.829 12.638 ( 0.045 4.462 -4.489) 6.329 12.731 ( 4.811 0.907 1.837) 5.229 12.876 ( -5.222 9.179 -2.596) 10.875 13.011 ( 0.578 -0.741 1.457) 1.734 13.491 ( 4.429 0.077 0.657) 4.478 13.732 ( -3.653 14.725 -1.583) 15.254 14.009 ( 0.560 11.652 -0.281) 11.669 17.643 ( 3.792 5.504 -2.487) 7.131 17.860 ( -3.691 7.649 -11.085) 13.965 19.944 ( 0.328 -6.346 6.829) 9.328 20.064 ( -0.310 -6.050 1.568) 6.258 23.426 ( -0.184 -0.270 -2.863) 2.881 24.490 ( 0.453 -5.578 1.001) 5.685 ======================= Grid point 655 (278/294) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.593 ( -6.619 -3.009 32.241) 33.050 3.884 ( 8.736 1.016 27.876) 29.230 4.516 ( -0.371 -7.703 -13.612) 15.645 4.784 ( -5.208 3.148 -17.587) 18.610 5.009 ( 6.159 7.017 5.007) 10.594 5.413 ( 0.056 3.026 3.950) 4.976 6.511 ( 1.567 -6.558 9.980) 12.045 6.741 ( -5.892 -2.496 -5.763) 8.612 7.154 ( -4.160 -2.319 -5.232) 7.075 7.962 ( 3.639 -11.137 -0.270) 11.720 8.057 ( -10.203 1.328 4.740) 11.329 9.055 ( 3.699 -0.379 -0.200) 3.723 9.415 ( 2.351 0.427 -4.949) 5.496 10.833 ( -8.259 -19.467 6.632) 22.162 11.438 ( 0.329 -14.249 -3.007) 14.567 11.707 ( -12.437 3.332 0.277) 12.878 12.097 ( 12.334 -10.004 10.256) 18.905 12.576 ( -7.771 1.412 -5.834) 9.819 12.750 ( 0.057 -5.883 2.481) 6.385 12.828 ( -7.596 6.633 -3.977) 10.840 13.056 ( -0.096 9.160 0.291) 9.165 13.595 ( 4.780 4.571 -0.174) 6.616 13.855 ( 4.777 10.750 -0.005) 11.764 14.271 ( 13.675 16.511 -1.803) 21.515 17.712 ( -4.240 10.284 -0.451) 11.133 17.944 ( 13.399 7.423 -9.488) 18.019 19.771 ( -13.006 -10.249 7.157) 18.039 20.074 ( 3.883 -5.290 0.311) 6.569 23.394 ( -1.070 -1.494 -2.185) 2.855 24.413 ( -2.929 -6.890 -0.388) 7.497 ======================= Grid point 656 (279/294) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.625 ( -7.411 -4.685 27.726) 29.079 4.121 ( 0.027 1.242 8.864) 8.951 4.302 ( -2.142 -9.318 -12.387) 15.648 4.712 ( 4.653 1.350 -10.675) 11.723 5.198 ( 5.418 3.974 4.933) 8.335 5.477 ( 2.042 6.036 2.194) 6.739 6.460 ( -5.454 -8.536 -2.578) 10.453 6.577 ( -5.373 -4.019 2.101) 7.031 7.029 ( -5.628 -1.831 -1.098) 6.019 7.892 ( 2.536 -5.986 -7.182) 9.687 8.018 ( -5.278 3.356 10.762) 12.447 8.943 ( -6.026 -7.814 -3.916) 10.616 9.542 ( 7.538 1.898 -0.465) 7.787 10.535 ( -9.950 -17.374 -0.443) 20.026 11.277 ( -7.461 -0.628 -1.951) 7.737 11.551 ( -3.277 -9.469 1.378) 10.114 12.256 ( -1.721 -0.414 0.462) 1.829 12.414 ( 0.801 -6.408 4.315) 7.767 12.689 ( -4.698 -0.912 0.765) 4.846 12.777 ( -0.953 1.277 -0.238) 1.611 13.136 ( 2.561 4.703 1.484) 5.557 13.701 ( -0.342 6.869 2.652) 7.371 14.086 ( 10.998 11.307 -1.261) 15.823 14.655 ( 15.654 15.601 -2.819) 22.280 17.748 ( -1.267 7.602 1.726) 7.898 18.235 ( 16.323 11.023 -6.555) 20.759 19.483 ( -15.333 -11.062 8.162) 20.593 20.059 ( 0.866 -5.088 -2.451) 5.714 23.337 ( -2.046 -2.780 -1.254) 3.672 24.271 ( -5.320 -6.607 -2.583) 8.867 ======================= Grid point 657 (280/294) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.590 ( -8.018 -5.191 15.285) 18.024 3.925 ( -6.621 -7.721 -13.878) 17.206 4.243 ( -4.488 2.403 -4.835) 7.021 4.793 ( 8.304 -2.537 0.078) 8.683 5.275 ( 0.523 -0.150 0.149) 0.564 5.647 ( 7.615 7.115 5.224) 11.657 6.212 ( -8.878 -7.723 -7.288) 13.841 6.499 ( -3.488 -4.795 5.915) 8.375 6.941 ( -3.451 -1.883 1.791) 4.320 7.861 ( 5.010 -6.163 -6.604) 10.330 8.047 ( -6.308 8.172 11.729) 15.625 8.758 ( -7.020 -5.413 0.962) 8.916 9.596 ( 1.960 -2.424 -6.428) 7.144 10.211 ( -7.257 -14.097 -8.889) 18.177 11.124 ( -15.441 9.712 -5.139) 18.952 11.441 ( 1.870 -15.445 -2.518) 15.761 12.107 ( -7.889 3.284 -0.513) 8.561 12.462 ( -3.062 -2.180 6.632) 7.623 12.645 ( 4.161 -7.498 2.879) 9.045 12.813 ( 1.888 2.823 3.862) 5.143 13.279 ( 10.762 -1.315 4.914) 11.903 13.745 ( -2.294 3.314 4.756) 6.234 14.360 ( 7.664 14.537 -1.280) 16.483 15.006 ( 13.589 11.873 -2.797) 18.261 17.838 ( 3.080 4.158 5.049) 7.229 18.562 ( 14.016 11.461 -3.359) 18.414 19.194 ( -14.108 -8.986 7.625) 18.383 19.978 ( -1.953 -5.289 -5.195) 7.667 23.270 ( -1.993 -3.041 -0.492) 3.669 24.101 ( -5.907 -4.923 -4.778) 9.053 ======================= Grid point 667 (281/294) ======================= q-point: ( 0.42 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.573 ( 7.461 -4.794 33.304) 34.465 3.845 ( -7.350 -0.308 25.827) 26.855 4.501 ( -0.383 -6.237 -14.544) 15.829 4.863 ( 3.539 7.368 -9.255) 12.347 5.116 ( -10.995 10.782 -8.640) 17.658 5.344 ( 3.532 -0.545 9.625) 10.267 6.404 ( 3.075 -10.553 10.341) 15.092 6.821 ( 2.718 -1.385 -4.768) 5.660 7.128 ( 4.470 -3.217 -3.902) 6.750 7.804 ( 3.838 -9.922 3.740) 11.277 8.260 ( 2.178 2.201 -2.296) 3.854 9.039 ( -5.119 0.589 2.456) 5.709 9.435 ( -2.467 1.201 -7.788) 8.257 10.941 ( 4.826 -27.949 3.318) 28.556 11.096 ( 12.463 -5.262 9.378) 16.461 11.903 ( 0.869 -6.046 -7.471) 9.650 12.142 ( -8.910 -3.737 9.006) 13.208 12.594 ( 8.418 6.390 -8.588) 13.618 12.680 ( 3.984 -1.524 3.473) 5.501 12.914 ( 4.310 -1.785 -2.131) 5.128 13.027 ( -3.671 8.869 0.269) 9.603 13.543 ( -3.819 6.859 1.884) 8.073 13.879 ( -2.686 9.106 -1.481) 9.609 14.277 ( -14.846 16.790 -1.788) 22.483 17.613 ( 2.911 4.773 1.585) 5.811 18.042 ( -12.160 13.020 -11.380) 21.140 19.764 ( 13.015 -10.945 7.518) 18.593 20.079 ( -3.656 -4.857 0.137) 6.081 23.402 ( 0.652 -0.883 -2.648) 2.867 24.393 ( 3.748 -8.266 0.570) 9.094 ======================= Grid point 668 (282/294) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.806 ( 0.613 -5.782 26.000) 26.642 3.928 ( 2.610 -2.686 29.653) 29.889 4.339 ( 0.210 -8.086 -17.901) 19.644 4.789 ( -5.663 3.519 -20.073) 21.151 5.119 ( -1.246 13.664 3.364) 14.128 5.438 ( 1.620 1.460 3.720) 4.312 6.426 ( 3.712 -10.278 8.274) 13.707 6.763 ( -2.290 -4.546 -4.513) 6.803 7.117 ( 1.017 -2.895 -5.371) 6.186 7.825 ( 3.878 -6.379 4.153) 8.543 8.192 ( -5.477 -2.035 -2.982) 6.560 9.008 ( 0.069 -4.574 0.565) 4.610 9.406 ( -0.488 5.008 0.486) 5.055 10.745 ( -0.773 -25.706 7.341) 26.745 11.217 ( 4.478 -12.129 1.448) 13.010 11.834 ( 6.620 -10.340 2.196) 12.472 12.000 ( -10.206 0.267 3.814) 10.898 12.647 ( -0.653 1.693 -3.739) 4.156 12.707 ( -2.901 -4.796 -0.243) 5.610 12.920 ( 1.305 1.994 -6.396) 6.825 13.131 ( 3.854 13.136 -2.808) 13.974 13.579 ( -0.373 7.267 0.973) 7.342 13.940 ( -1.540 9.912 -1.679) 10.171 14.334 ( 0.577 21.480 1.761) 21.560 17.767 ( 6.768 7.715 -3.771) 10.934 17.954 ( -6.737 15.192 -3.534) 16.990 19.794 ( 0.688 -14.941 -0.357) 14.961 19.998 ( -0.655 -4.274 5.586) 7.064 23.379 ( -0.281 -1.872 -1.818) 2.625 24.348 ( 0.778 -9.994 0.665) 10.047 ======================= Grid point 669 (283/294) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.823 ( -5.369 -8.144 19.709) 21.991 4.091 ( -1.472 -8.656 -14.520) 16.968 4.197 ( 6.954 -5.526 17.190) 19.349 4.651 ( -3.412 4.523 -10.492) 11.924 5.259 ( -0.225 10.943 2.839) 11.308 5.491 ( 2.682 3.558 -0.584) 4.494 6.372 ( -1.321 -11.956 -1.420) 12.113 6.652 ( -3.962 -4.294 0.955) 5.920 7.054 ( -1.429 -2.809 -3.980) 5.077 7.795 ( -1.938 -3.955 -3.096) 5.384 8.143 ( 0.466 1.233 4.739) 4.918 8.924 ( -2.250 -8.240 -0.265) 8.545 9.496 ( 2.208 4.074 4.228) 6.273 10.502 ( -7.183 -22.057 3.645) 23.481 11.120 ( 4.020 -14.038 -1.406) 14.670 11.755 ( -13.033 0.797 -0.312) 13.061 12.056 ( 14.865 -8.809 10.501) 20.220 12.505 ( -10.414 -2.054 -6.396) 12.392 12.648 ( 0.925 -3.676 -0.658) 3.847 12.901 ( -3.725 4.471 -2.326) 6.267 13.218 ( -4.243 8.974 -2.957) 10.358 13.752 ( 7.719 10.901 0.712) 13.376 14.006 ( 4.283 7.405 -2.514) 8.916 14.638 ( 8.075 21.526 1.728) 23.056 17.819 ( -0.309 6.732 -8.867) 11.137 18.156 ( 7.884 17.633 5.217) 20.008 19.575 ( -7.164 -15.411 -1.401) 17.052 19.992 ( 0.061 -5.316 3.770) 6.518 23.337 ( -1.432 -2.772 -0.419) 3.148 24.243 ( -2.186 -9.753 -0.607) 10.014 ======================= Grid point 670 (284/294) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.685 ( -6.337 -10.249 -7.149) 14.011 3.891 ( -4.313 -6.768 2.401) 8.377 4.343 ( -2.000 3.859 5.102) 6.703 4.631 ( 4.837 -5.894 3.267) 8.295 5.303 ( -2.396 4.564 -3.290) 6.115 5.625 ( 6.329 6.223 3.373) 9.496 6.177 ( -4.862 -10.264 -7.458) 13.587 6.557 ( -4.393 -4.770 3.031) 7.158 6.980 ( -2.764 -3.007 -0.370) 4.101 7.723 ( 1.227 -2.822 -5.392) 6.208 8.236 ( 0.591 5.842 8.246) 10.123 8.817 ( -3.542 -5.200 4.060) 7.488 9.546 ( -0.818 -0.177 0.445) 0.948 10.154 ( -10.378 -18.360 -4.675) 21.602 11.118 ( 8.590 -8.873 -3.486) 12.832 11.528 ( -15.986 2.315 0.042) 16.153 12.218 ( -0.522 -4.859 -0.087) 4.888 12.344 ( 6.187 -9.141 5.886) 12.509 12.606 ( -2.797 -1.507 -1.853) 3.678 12.886 ( -2.257 5.363 1.492) 6.007 13.213 ( -0.115 2.834 -0.600) 2.899 13.860 ( -3.717 5.203 3.397) 7.241 14.270 ( 16.283 11.695 -4.013) 20.445 14.963 ( 8.031 17.807 0.520) 19.541 17.845 ( 1.925 4.784 -4.106) 6.591 18.502 ( 9.921 16.757 5.339) 20.192 19.299 ( -8.236 -13.641 -1.805) 16.036 19.932 ( -2.325 -6.411 0.557) 6.842 23.280 ( -2.330 -2.881 1.017) 3.843 24.101 ( -3.976 -7.364 -2.333) 8.688 ======================= Grid point 680 (285/294) ======================= q-point: ( 0.42 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.588 ( 7.001 -6.886 28.681) 30.316 4.026 ( -0.754 -2.838 8.275) 8.780 4.418 ( -4.075 -1.806 -8.927) 9.978 4.747 ( 4.990 2.410 -16.975) 17.856 5.281 ( -4.500 -1.049 1.466) 4.847 5.431 ( -4.085 11.363 3.869) 12.679 6.291 ( 4.911 -11.995 7.244) 14.848 6.686 ( 5.462 -4.471 -2.518) 7.494 7.024 ( 4.417 -1.314 -0.229) 4.614 7.726 ( -0.181 -6.216 3.525) 7.148 8.221 ( 3.888 5.456 -3.405) 7.515 8.980 ( 4.846 -5.072 -6.105) 9.300 9.552 ( -7.927 2.784 -1.974) 8.630 10.539 ( 11.995 -23.341 -0.803) 26.255 11.005 ( 6.384 -2.317 11.268) 13.156 11.792 ( -2.601 -9.855 -5.138) 11.414 12.207 ( 8.318 2.770 -0.858) 8.809 12.412 ( 6.011 -3.749 -0.678) 7.117 12.632 ( 1.966 -0.762 1.047) 2.354 12.883 ( -0.908 0.827 0.641) 1.385 13.169 ( -5.971 3.051 2.290) 7.085 13.725 ( -4.088 14.144 3.286) 15.085 13.995 ( -4.696 5.000 -1.369) 6.995 14.682 ( -16.690 16.136 -3.050) 23.415 17.676 ( -1.921 4.988 6.277) 8.244 18.315 ( -13.717 14.469 -11.468) 23.000 19.471 ( 15.356 -12.166 9.410) 21.734 20.058 ( -0.175 -4.968 -2.949) 5.780 23.354 ( 1.742 -1.865 -2.353) 3.471 24.239 ( 5.332 -8.355 -0.204) 9.913 ======================= Grid point 681 (286/294) ======================= q-point: ( 0.50 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.793 ( 7.243 -10.684 24.682) 27.853 4.027 ( 0.716 -4.922 0.211) 4.979 4.231 ( -7.531 -5.225 -1.665) 9.316 4.761 ( 2.386 5.342 -15.154) 16.244 5.237 ( -0.579 4.730 -0.160) 4.768 5.498 ( -2.736 8.313 1.107) 8.821 6.315 ( 4.598 -10.927 8.979) 14.871 6.673 ( 2.311 -6.565 -4.151) 8.104 7.041 ( 1.254 -3.310 -2.829) 4.532 7.758 ( 4.606 -1.407 6.548) 8.128 8.203 ( -3.984 -0.715 -8.759) 9.649 8.936 ( 1.069 -7.656 -2.690) 8.185 9.502 ( -2.200 4.105 3.497) 5.824 10.482 ( 7.705 -24.269 5.022) 25.953 11.139 ( 0.574 -4.828 10.884) 11.921 11.631 ( 3.658 -12.126 -3.766) 13.214 12.165 ( -8.360 -3.646 4.034) 9.972 12.583 ( 7.506 1.940 -8.359) 11.401 12.676 ( 6.260 -1.579 0.847) 6.511 12.830 ( -1.243 -0.366 -5.040) 5.204 13.169 ( 1.348 7.801 -2.222) 8.223 13.733 ( -7.070 6.752 -0.557) 9.792 14.064 ( -1.542 13.817 0.774) 13.925 14.621 ( -9.169 20.045 0.853) 22.059 17.759 ( 1.325 6.830 0.745) 6.997 18.218 ( -9.184 17.566 -4.911) 20.422 19.562 ( 7.375 -16.077 -0.008) 17.687 20.005 ( 0.070 -4.444 3.087) 5.412 23.340 ( 1.015 -2.950 -1.614) 3.513 24.229 ( 3.001 -9.977 2.015) 10.612 ======================= Grid point 682 (287/294) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.797 ( -0.244 -13.678 -10.962) 17.530 3.975 ( 0.579 -7.351 5.498) 9.198 4.179 ( 1.718 -5.517 18.460) 19.344 4.743 ( -4.267 7.418 -4.559) 9.697 5.333 ( 4.601 4.165 -0.759) 6.252 5.516 ( -2.830 9.747 -3.186) 10.638 6.291 ( -1.011 -11.838 4.185) 12.597 6.617 ( 1.400 -5.762 -2.847) 6.578 6.997 ( 0.665 -3.457 -3.898) 5.253 7.839 ( -3.658 1.342 2.396) 4.574 8.085 ( 3.432 -3.141 -4.956) 6.797 8.859 ( 0.352 -9.251 0.849) 9.296 9.565 ( 0.163 3.709 6.843) 7.786 10.393 ( 0.587 -20.237 8.295) 21.879 11.007 ( -6.284 -11.404 0.651) 13.037 11.704 ( 12.297 -11.903 9.954) 19.798 12.014 ( -7.606 1.035 -3.187) 8.312 12.531 ( -3.106 -8.279 -4.166) 9.775 12.658 ( -3.583 2.636 -3.247) 5.507 12.894 ( 5.309 2.036 -4.853) 7.476 13.315 ( 3.525 12.033 -6.417) 14.085 13.712 ( 2.793 6.656 -2.614) 7.677 14.110 ( -6.480 9.955 0.250) 11.881 14.783 ( 1.641 21.566 3.630) 21.931 17.812 ( 0.541 6.763 -8.883) 11.178 18.324 ( -0.253 19.645 6.607) 20.728 19.425 ( 0.282 -18.563 -7.795) 20.135 20.000 ( -0.769 -4.339 7.015) 8.284 23.318 ( 0.362 -3.136 -0.072) 3.157 24.171 ( -0.157 -10.049 2.497) 10.355 ======================= Grid point 684 (288/294) ======================= q-point: (-0.33 -0.42 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.564 ( -2.047 -8.307 -18.621) 20.493 3.925 ( -2.652 -7.393 7.471) 10.840 4.337 ( 8.672 -7.012 19.268) 22.262 4.684 ( -9.105 3.948 0.299) 9.928 5.354 ( -1.723 2.060 -6.982) 7.481 5.618 ( 3.752 9.310 1.166) 10.105 6.127 ( -5.088 -10.032 -4.062) 11.959 6.564 ( -1.122 -5.678 -0.316) 5.797 6.955 ( 0.287 -3.813 -2.831) 4.758 7.722 ( -5.571 -0.049 -3.608) 6.637 8.208 ( 9.653 1.033 2.207) 9.955 8.804 ( 1.044 -7.613 4.656) 8.985 9.622 ( -2.602 1.833 7.149) 7.825 10.168 ( -11.769 -15.425 3.500) 19.715 10.894 ( 5.222 -9.860 0.140) 11.159 11.728 ( -5.635 -6.594 4.205) 9.640 12.008 ( 9.153 -4.586 2.935) 10.651 12.342 ( -6.437 -5.718 -7.192) 11.218 12.628 ( -1.569 1.359 -0.547) 2.147 12.938 ( 1.289 3.117 -2.924) 4.464 13.307 ( -7.082 5.644 -5.107) 10.397 13.953 ( 9.181 10.543 -4.429) 14.665 14.107 ( 2.878 6.277 0.694) 6.940 15.049 ( 4.504 18.311 2.853) 19.072 17.827 ( 1.185 6.553 -9.305) 11.442 18.597 ( 4.849 17.407 9.337) 20.340 19.182 ( -1.576 -17.403 -10.408) 20.339 19.956 ( -4.078 -5.631 6.149) 9.282 23.292 ( -0.897 -2.503 1.816) 3.220 24.076 ( -2.399 -7.830 1.677) 8.359 ======================= Grid point 805 (289/294) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.713 ( 0.000 0.000 30.971) 30.971 3.760 ( 0.000 0.000 31.828) 31.828 4.683 ( -0.000 -0.000 -20.730) 20.730 4.752 ( 0.000 0.000 13.339) 13.339 4.778 ( -0.000 -0.000 -22.365) 22.365 5.406 ( 0.000 0.000 10.893) 10.893 6.609 ( 0.000 0.000 9.672) 9.672 6.795 ( 0.000 0.000 0.209) 0.209 7.217 ( -0.000 -0.000 -9.332) 9.332 8.174 ( 0.000 0.000 4.160) 4.160 8.231 ( 0.000 0.000 1.134) 1.134 8.797 ( 0.000 0.000 7.577) 7.577 9.460 ( -0.000 -0.000 -18.493) 18.493 11.346 ( 0.000 0.000 9.806) 9.806 11.572 ( 0.000 0.000 1.861) 1.861 11.760 ( -0.000 -0.000 -0.569) 0.569 12.250 ( -0.000 -0.000 -0.572) 0.572 12.501 ( -0.000 -0.000 -10.062) 10.062 12.709 ( 0.000 0.000 3.152) 3.152 12.811 ( -0.000 -0.000 -2.150) 2.150 13.100 ( 0.000 0.000 7.242) 7.242 13.514 ( -0.000 -0.000 -0.802) 0.802 13.521 ( -0.000 -0.000 -1.268) 1.268 13.895 ( -0.000 -0.000 -0.266) 0.266 17.585 ( -0.000 -0.000 -1.721) 1.721 17.721 ( -0.000 -0.000 -8.741) 8.741 20.042 ( 0.000 0.000 4.939) 4.939 20.124 ( 0.000 0.000 0.556) 0.556 23.413 ( -0.000 -0.000 -2.029) 2.029 24.549 ( 0.000 0.000 1.048) 1.048 ======================= Grid point 806 (290/294) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.836 ( -4.615 -2.913 30.797) 31.277 3.996 ( 2.941 3.518 25.841) 26.245 4.506 ( -3.803 0.226 -17.974) 18.373 4.657 ( 2.347 -3.124 -20.647) 21.014 4.919 ( 9.398 4.434 2.164) 10.614 5.438 ( -2.785 -0.845 8.241) 8.740 6.623 ( -5.214 0.878 9.288) 10.687 6.774 ( -0.477 -3.979 -3.830) 5.544 7.149 ( -2.414 -0.766 -5.370) 5.937 8.054 ( -13.733 0.236 2.878) 14.033 8.185 ( 0.975 -8.660 0.323) 8.721 9.003 ( 9.205 6.068 6.625) 12.863 9.345 ( 0.465 0.023 -13.515) 13.523 11.203 ( -12.028 -15.041 7.556) 20.688 11.435 ( -17.839 7.410 -1.553) 19.379 11.808 ( 5.210 -6.965 -1.543) 8.834 12.270 ( 3.578 0.084 7.965) 8.732 12.464 ( -1.353 1.737 -11.084) 11.300 12.738 ( -2.577 1.503 2.742) 4.052 12.835 ( 5.410 -1.193 -1.079) 5.644 13.016 ( -5.594 -3.217 3.513) 7.347 13.521 ( -0.496 3.618 -1.006) 3.788 13.695 ( 12.790 4.649 0.467) 13.616 14.030 ( 12.940 7.494 -1.537) 15.033 17.593 ( -0.161 2.457 1.831) 3.069 17.783 ( 11.183 3.954 -8.678) 14.697 19.961 ( -10.075 -5.710 5.570) 12.850 20.123 ( 0.105 -0.041 -1.308) 1.313 23.399 ( -0.449 -0.370 -1.462) 1.574 24.502 ( -4.803 -2.487 0.357) 5.421 ======================= Grid point 807 (291/294) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.880 ( -8.255 -4.264 28.129) 29.624 4.122 ( -3.822 1.234 1.220) 4.197 4.362 ( -1.693 -4.513 -12.805) 13.682 4.596 ( 5.635 3.016 -9.784) 11.687 5.150 ( 12.520 4.480 -0.387) 13.303 5.428 ( -1.878 0.524 5.244) 5.595 6.525 ( -11.025 -1.418 -0.268) 11.119 6.695 ( -1.576 -5.230 1.085) 5.569 7.063 ( -4.161 -2.066 -0.054) 4.646 7.887 ( -7.229 1.124 -0.767) 7.356 8.125 ( -0.586 -6.359 2.631) 6.906 9.030 ( -5.680 -3.748 -3.006) 7.439 9.447 ( 9.887 5.934 -3.042) 11.926 10.831 ( -18.263 -13.669 -1.559) 22.865 11.213 ( -14.644 2.068 2.060) 14.932 11.794 ( 3.959 -8.479 1.375) 9.458 12.193 ( -11.273 -1.886 -11.348) 16.106 12.525 ( 4.538 4.114 8.060) 10.124 12.675 ( -6.867 -1.366 3.554) 7.852 12.853 ( 2.255 -3.973 1.018) 4.680 13.079 ( 8.887 2.710 3.038) 9.776 13.586 ( 3.944 4.616 0.140) 6.073 13.918 ( 8.554 6.361 0.570) 10.675 14.384 ( 20.156 10.589 -3.500) 23.036 17.664 ( 2.768 3.470 5.873) 7.361 18.014 ( 16.346 7.503 -8.363) 19.835 19.721 ( -15.082 -8.691 7.068) 18.788 20.091 ( -1.681 -0.839 -4.162) 4.567 23.369 ( -1.612 -1.208 -0.751) 2.150 24.363 ( -8.038 -4.133 -0.897) 9.083 ======================= Grid point 819 (292/294) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.029 ( -1.427 -2.561 24.139) 24.317 4.120 ( 2.690 0.025 23.006) 23.163 4.363 ( 1.464 -5.922 -16.250) 17.357 4.560 ( -3.208 5.476 -23.519) 24.360 4.927 ( -0.120 8.331 2.797) 8.789 5.483 ( 0.260 -2.480 4.286) 4.958 6.645 ( 2.025 -7.226 7.432) 10.562 6.774 ( -1.963 -0.279 -4.427) 4.851 7.128 ( 0.326 -1.091 -3.341) 3.530 8.045 ( 2.809 -13.157 3.048) 13.795 8.213 ( -3.263 -1.668 -2.007) 4.178 9.025 ( 0.294 7.111 7.132) 10.075 9.278 ( -0.080 2.675 -9.199) 9.580 11.231 ( -3.920 -21.395 5.659) 22.475 11.426 ( 7.325 -9.691 -1.484) 12.238 11.820 ( -2.823 2.777 -3.150) 5.060 12.214 ( -1.748 -7.613 11.213) 13.666 12.486 ( 0.953 8.965 -10.502) 13.842 12.759 ( 1.555 -0.251 0.708) 1.727 12.834 ( -1.887 5.617 -1.475) 6.107 13.044 ( 0.334 -5.907 0.647) 5.952 13.505 ( 1.051 1.245 0.808) 1.819 13.708 ( -0.921 14.174 -1.016) 14.240 14.010 ( 0.095 12.684 0.543) 12.696 17.640 ( 3.207 4.642 0.245) 5.647 17.706 ( -3.185 8.487 -3.866) 9.855 20.020 ( 0.173 -8.844 0.072) 8.846 20.083 ( -0.176 -2.353 2.038) 3.118 23.393 ( -0.044 -0.559 -0.777) 0.958 24.502 ( 0.125 -5.838 0.346) 5.849 ======================= Grid point 820 (293/294) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.063 ( -3.202 -6.947 10.676) 13.133 4.114 ( -2.294 -4.525 -17.282) 18.012 4.308 ( -3.835 0.081 -1.174) 4.012 4.542 ( 6.007 4.444 9.053) 11.739 5.075 ( 5.110 10.157 1.488) 11.467 5.462 ( -0.591 -1.223 -1.331) 1.902 6.558 ( -4.963 -9.238 -5.895) 12.031 6.729 ( -1.729 -2.245 5.082) 5.818 7.090 ( -1.461 -2.353 -0.834) 2.892 7.895 ( -4.616 -9.079 -5.270) 11.468 8.177 ( -1.200 -0.953 6.395) 6.576 9.051 ( -2.660 -4.439 0.255) 5.181 9.369 ( 5.764 9.625 -0.131) 11.220 10.929 ( -13.256 -20.915 3.497) 25.008 11.299 ( -1.445 -9.351 -11.023) 14.527 11.768 ( -6.695 -2.140 6.239) 9.399 12.268 ( 2.485 -3.279 2.285) 4.706 12.458 ( 0.359 0.644 -0.610) 0.957 12.735 ( 0.023 -3.669 -2.683) 4.545 12.850 ( -3.358 0.166 3.863) 5.121 13.052 ( 1.773 6.477 -0.985) 6.787 13.578 ( 5.345 6.596 -1.665) 8.651 13.859 ( 5.457 8.169 0.580) 9.841 14.258 ( 10.118 18.640 0.254) 21.210 17.677 ( 2.017 3.749 -4.351) 6.087 17.889 ( 8.147 13.903 4.332) 16.686 19.840 ( -7.592 -12.900 -0.243) 14.970 20.073 ( -1.047 -2.143 0.197) 2.394 23.376 ( -0.849 -1.398 0.240) 1.653 24.403 ( -4.328 -7.528 -0.596) 8.704 ======================= Grid point 976 (294/294) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.176 ( -0.000 -0.000 -8.585) 8.585 4.176 ( 0.000 0.000 8.585) 8.585 4.381 ( -0.000 -0.000 -9.967) 9.967 4.381 ( 0.000 0.000 9.967) 9.967 4.857 ( 0.000 0.000 0.000) 0.000 5.529 ( 0.000 0.000 0.000) 0.000 6.750 ( -0.000 -0.000 -5.392) 5.392 6.750 ( 0.000 0.000 5.392) 5.392 7.125 ( 0.000 0.000 0.000) 0.000 8.223 ( -0.000 -0.000 -1.660) 1.660 8.223 ( 0.000 0.000 1.660) 1.660 8.916 ( 0.000 0.000 0.000) 0.000 9.241 ( 0.000 0.000 0.000) 0.000 11.515 ( -0.000 -0.000 -7.639) 7.639 11.515 ( 0.000 0.000 7.639) 7.639 11.755 ( 0.000 0.000 0.000) 0.000 12.324 ( -0.000 -0.000 -8.278) 8.278 12.324 ( 0.000 0.000 8.278) 8.278 12.766 ( -0.000 -0.000 -2.912) 2.912 12.766 ( 0.000 0.000 2.912) 2.912 13.169 ( 0.000 0.000 0.000) 0.000 13.508 ( -0.000 -0.000 -0.169) 0.169 13.508 ( 0.000 0.000 0.169) 0.169 13.890 ( 0.000 0.000 0.000) 0.000 17.605 ( -0.000 -0.000 -3.878) 3.878 17.605 ( 0.000 0.000 3.878) 3.878 20.108 ( -0.000 -0.000 -2.299) 2.299 20.108 ( 0.000 0.000 2.299) 2.299 23.395 ( 0.000 0.000 0.000) 0.000 24.559 ( 0.000 0.000 0.000) 0.000 =================== 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 3/51840 10.0 1044.054 1044.054 856.695 0.000 -0.000 0.000 3/51840 20.0 910.831 910.831 944.959 0.000 -0.000 -0.000 3/51840 30.0 401.610 401.610 416.986 0.000 -0.000 -0.000 3/51840 40.0 191.369 191.369 199.406 0.000 -0.000 -0.000 3/51840 50.0 111.602 111.602 119.126 0.000 -0.000 -0.000 3/51840 60.0 74.333 74.333 81.332 0.000 -0.000 -0.000 3/51840 70.0 53.764 53.764 59.959 0.000 -0.000 -0.000 3/51840 80.0 41.146 41.146 46.521 0.000 -0.000 -0.000 3/51840 90.0 32.838 32.838 37.489 0.000 -0.000 -0.000 3/51840 100.0 27.073 27.073 31.119 0.000 -0.000 -0.000 3/51840 110.0 22.904 22.904 26.454 0.000 -0.000 -0.000 3/51840 120.0 19.786 19.786 22.927 0.000 -0.000 -0.000 3/51840 130.0 17.387 17.387 20.189 0.000 -0.000 -0.000 3/51840 140.0 15.495 15.495 18.015 0.000 -0.000 -0.000 3/51840 150.0 13.973 13.973 16.255 0.000 -0.000 -0.000 3/51840 160.0 12.725 12.725 14.804 0.000 -0.000 -0.000 3/51840 170.0 11.685 11.685 13.592 0.000 -0.000 -0.000 3/51840 180.0 10.807 10.807 12.564 0.000 -0.000 -0.000 3/51840 190.0 10.056 10.056 11.684 0.000 -0.000 -0.000 3/51840 200.0 9.407 9.407 10.921 0.000 -0.000 -0.000 3/51840 210.0 8.840 8.840 10.255 0.000 -0.000 -0.000 3/51840 220.0 8.341 8.341 9.667 0.000 -0.000 -0.000 3/51840 230.0 7.898 7.898 9.145 0.000 -0.000 -0.000 3/51840 240.0 7.502 7.502 8.679 0.000 -0.000 -0.000 3/51840 250.0 7.146 7.146 8.260 0.000 -0.000 -0.000 3/51840 260.0 6.824 6.824 7.881 0.000 -0.000 -0.000 3/51840 270.0 6.531 6.531 7.537 0.000 -0.000 -0.000 3/51840 280.0 6.263 6.263 7.222 0.000 -0.000 -0.000 3/51840 290.0 6.018 6.018 6.934 0.000 -0.000 -0.000 3/51840 300.0 5.792 5.792 6.669 0.000 -0.000 -0.000 3/51840 310.0 5.583 5.583 6.424 0.000 -0.000 -0.000 3/51840 320.0 5.390 5.390 6.197 0.000 -0.000 -0.000 3/51840 330.0 5.210 5.210 5.987 0.000 -0.000 -0.000 3/51840 340.0 5.042 5.042 5.790 0.000 -0.000 -0.000 3/51840 350.0 4.885 4.885 5.607 0.000 -0.000 -0.000 3/51840 360.0 4.738 4.738 5.435 0.000 -0.000 -0.000 3/51840 370.0 4.600 4.600 5.274 0.000 -0.000 -0.000 3/51840 380.0 4.470 4.470 5.123 0.000 -0.000 -0.000 3/51840 390.0 4.347 4.347 4.980 0.000 -0.000 -0.000 3/51840 400.0 4.231 4.231 4.845 0.000 -0.000 -0.000 3/51840 410.0 4.122 4.122 4.718 0.000 -0.000 -0.000 3/51840 420.0 4.018 4.018 4.597 0.000 -0.000 -0.000 3/51840 430.0 3.919 3.919 4.483 0.000 -0.000 -0.000 3/51840 440.0 3.826 3.826 4.374 0.000 -0.000 -0.000 3/51840 450.0 3.736 3.736 4.270 0.000 -0.000 -0.000 3/51840 460.0 3.651 3.651 4.172 0.000 -0.000 -0.000 3/51840 470.0 3.570 3.570 4.078 0.000 -0.000 -0.000 3/51840 480.0 3.492 3.492 3.988 0.000 -0.000 -0.000 3/51840 490.0 3.418 3.418 3.902 0.000 -0.000 -0.000 3/51840 500.0 3.347 3.347 3.820 0.000 -0.000 -0.000 3/51840 510.0 3.279 3.279 3.742 0.000 -0.000 -0.000 3/51840 520.0 3.214 3.214 3.666 0.000 -0.000 -0.000 3/51840 530.0 3.151 3.151 3.594 0.000 -0.000 -0.000 3/51840 540.0 3.091 3.091 3.525 0.000 -0.000 -0.000 3/51840 550.0 3.033 3.033 3.458 0.000 -0.000 -0.000 3/51840 560.0 2.977 2.977 3.394 0.000 -0.000 -0.000 3/51840 570.0 2.924 2.924 3.332 0.000 -0.000 -0.000 3/51840 580.0 2.872 2.872 3.272 0.000 -0.000 -0.000 3/51840 590.0 2.822 2.822 3.215 0.000 -0.000 -0.000 3/51840 600.0 2.774 2.774 3.159 0.000 -0.000 -0.000 3/51840 610.0 2.727 2.727 3.106 0.000 -0.000 -0.000 3/51840 620.0 2.682 2.682 3.054 0.000 -0.000 -0.000 3/51840 630.0 2.639 2.639 3.004 0.000 -0.000 -0.000 3/51840 640.0 2.597 2.597 2.956 0.000 -0.000 -0.000 3/51840 650.0 2.556 2.556 2.909 0.000 -0.000 -0.000 3/51840 660.0 2.516 2.516 2.864 0.000 -0.000 -0.000 3/51840 670.0 2.478 2.478 2.820 0.000 -0.000 -0.000 3/51840 680.0 2.441 2.441 2.777 0.000 -0.000 -0.000 3/51840 690.0 2.405 2.405 2.736 0.000 -0.000 -0.000 3/51840 700.0 2.370 2.370 2.696 0.000 -0.000 -0.000 3/51840 710.0 2.336 2.336 2.657 0.000 -0.000 -0.000 3/51840 720.0 2.303 2.303 2.619 0.000 -0.000 -0.000 3/51840 730.0 2.271 2.271 2.583 0.000 -0.000 -0.000 3/51840 740.0 2.240 2.240 2.547 0.000 -0.000 -0.000 3/51840 750.0 2.210 2.210 2.512 0.000 -0.000 -0.000 3/51840 760.0 2.180 2.180 2.479 0.000 -0.000 -0.000 3/51840 770.0 2.152 2.152 2.446 0.000 -0.000 -0.000 3/51840 780.0 2.124 2.124 2.414 0.000 -0.000 -0.000 3/51840 790.0 2.096 2.096 2.383 0.000 -0.000 -0.000 3/51840 800.0 2.070 2.070 2.353 0.000 -0.000 -0.000 3/51840 810.0 2.044 2.044 2.323 0.000 -0.000 -0.000 3/51840 820.0 2.019 2.019 2.294 0.000 -0.000 -0.000 3/51840 830.0 1.994 1.994 2.266 0.000 -0.000 -0.000 3/51840 840.0 1.970 1.970 2.239 0.000 -0.000 -0.000 3/51840 850.0 1.947 1.947 2.212 0.000 -0.000 -0.000 3/51840 860.0 1.924 1.924 2.186 0.000 -0.000 -0.000 3/51840 870.0 1.902 1.902 2.160 0.000 -0.000 -0.000 3/51840 880.0 1.880 1.880 2.135 0.000 -0.000 -0.000 3/51840 890.0 1.859 1.859 2.111 0.000 -0.000 -0.000 3/51840 900.0 1.838 1.838 2.087 0.000 -0.000 -0.000 3/51840 910.0 1.817 1.817 2.064 0.000 -0.000 -0.000 3/51840 920.0 1.798 1.798 2.041 0.000 -0.000 -0.000 3/51840 930.0 1.778 1.778 2.019 0.000 -0.000 -0.000 3/51840 940.0 1.759 1.759 1.997 0.000 -0.000 -0.000 3/51840 950.0 1.740 1.740 1.976 0.000 -0.000 -0.000 3/51840 960.0 1.722 1.722 1.955 0.000 -0.000 -0.000 3/51840 970.0 1.704 1.704 1.935 0.000 -0.000 -0.000 3/51840 980.0 1.687 1.687 1.915 0.000 -0.000 -0.000 3/51840 990.0 1.670 1.670 1.895 0.000 -0.000 -0.000 3/51840 1000.0 1.653 1.653 1.876 0.000 -0.000 -0.000 3/51840 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:05:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|