----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:28:03]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.170498869999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.853429810000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.384975450000001 Atomic positions (fractional): *1 Te 0.75000000000000 0.00000000000000 0.09217473891449 127.600 2 Te 0.75000000000000 0.50000000000000 0.40782526108550 127.600 3 Te 0.25000000000000 0.00000000000000 0.90782526108550 127.600 4 Te 0.25000000000000 0.50000000000000 0.59217473891450 127.600 *5 O 0.61034972650776 0.75000000000000 0.25000000000000 15.999 *6 O 0.56523388758495 0.71443249760463 0.57424599095266 15.999 7 O 0.56523388758495 0.78556750239537 0.92575400904734 15.999 8 O 0.43476611241505 0.28556750239537 0.42575400904734 15.999 9 O 0.43476611241505 0.21443249760463 0.07424599095266 15.999 10 O 0.38965027349224 0.25000000000000 0.75000000000000 15.999 11 O 0.11034972650776 0.75000000000000 0.75000000000000 15.999 12 O 0.06523388758495 0.78556750239537 0.07424599095266 15.999 13 O 0.06523388758495 0.71443249760463 0.42575400904734 15.999 14 O 0.93476611241505 0.21443249760463 0.92575400904734 15.999 15 O 0.93476611241505 0.28556750239537 0.57424599095266 15.999 16 O 0.88965027349224 0.25000000000000 0.25000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.170498869999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.853429810000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.384975450000001 Atomic positions (fractional): *1 Te 0.75000000000000 0.00000000000000 0.09217473891449 127.600 > 1 2 Te 0.75000000000000 0.50000000000000 0.40782526108550 127.600 > 2 3 Te 0.25000000000000 0.00000000000000 0.90782526108550 127.600 > 3 4 Te 0.25000000000000 0.50000000000000 0.59217473891450 127.600 > 4 *5 O 0.61034972650776 0.75000000000000 0.25000000000000 15.999 > 5 *6 O 0.56523388758495 0.71443249760463 0.57424599095266 15.999 > 6 7 O 0.56523388758495 0.78556750239537 0.92575400904734 15.999 > 7 8 O 0.43476611241505 0.28556750239537 0.42575400904734 15.999 > 8 9 O 0.43476611241505 0.21443249760463 0.07424599095266 15.999 > 9 10 O 0.38965027349224 0.25000000000000 0.75000000000000 15.999 > 10 11 O 0.11034972650776 0.75000000000000 0.75000000000000 15.999 > 11 12 O 0.06523388758495 0.78556750239537 0.07424599095266 15.999 > 12 13 O 0.06523388758495 0.71443249760463 0.42575400904734 15.999 > 13 14 O 0.93476611241505 0.21443249760463 0.92575400904734 15.999 > 14 15 O 0.93476611241505 0.28556750239537 0.57424599095266 15.999 > 15 16 O 0.88965027349224 0.25000000000000 0.25000000000000 15.999 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.340997739999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.706859619999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.769950900000001 Atomic positions (fractional): *1 Te 0.37500000000000 0.00000000000000 0.04608736945725 127.600 > 1 2 Te 0.87500000000000 0.00000000000000 0.04608736945725 127.600 > 1 3 Te 0.37500000000000 0.50000000000000 0.04608736945725 127.600 > 1 4 Te 0.87500000000000 0.50000000000000 0.04608736945725 127.600 > 1 5 Te 0.37500000000000 0.00000000000000 0.54608736945725 127.600 > 1 6 Te 0.87500000000000 0.00000000000000 0.54608736945725 127.600 > 1 7 Te 0.37500000000000 0.50000000000000 0.54608736945725 127.600 > 1 8 Te 0.87500000000000 0.50000000000000 0.54608736945725 127.600 > 1 9 Te 0.37500000000000 0.25000000000000 0.20391263054275 127.600 > 2 10 Te 0.87500000000000 0.25000000000000 0.20391263054275 127.600 > 2 11 Te 0.37500000000000 0.75000000000000 0.20391263054275 127.600 > 2 12 Te 0.87500000000000 0.75000000000000 0.20391263054275 127.600 > 2 13 Te 0.37500000000000 0.25000000000000 0.70391263054275 127.600 > 2 14 Te 0.87500000000000 0.25000000000000 0.70391263054275 127.600 > 2 15 Te 0.37500000000000 0.75000000000000 0.70391263054275 127.600 > 2 16 Te 0.87500000000000 0.75000000000000 0.70391263054275 127.600 > 2 17 Te 0.12500000000000 0.00000000000000 0.45391263054275 127.600 > 3 18 Te 0.62500000000000 0.00000000000000 0.45391263054275 127.600 > 3 19 Te 0.12500000000000 0.50000000000000 0.45391263054275 127.600 > 3 20 Te 0.62500000000000 0.50000000000000 0.45391263054275 127.600 > 3 21 Te 0.12500000000000 0.00000000000000 0.95391263054275 127.600 > 3 22 Te 0.62500000000000 0.00000000000000 0.95391263054275 127.600 > 3 23 Te 0.12500000000000 0.50000000000000 0.95391263054275 127.600 > 3 24 Te 0.62500000000000 0.50000000000000 0.95391263054275 127.600 > 3 25 Te 0.12500000000000 0.25000000000000 0.29608736945725 127.600 > 4 26 Te 0.62500000000000 0.25000000000000 0.29608736945725 127.600 > 4 27 Te 0.12500000000000 0.75000000000000 0.29608736945725 127.600 > 4 28 Te 0.62500000000000 0.75000000000000 0.29608736945725 127.600 > 4 29 Te 0.12500000000000 0.25000000000000 0.79608736945725 127.600 > 4 30 Te 0.62500000000000 0.25000000000000 0.79608736945725 127.600 > 4 31 Te 0.12500000000000 0.75000000000000 0.79608736945725 127.600 > 4 32 Te 0.62500000000000 0.75000000000000 0.79608736945725 127.600 > 4 *33 O 0.30517486325388 0.37500000000000 0.12500000000000 15.999 > 5 34 O 0.80517486325388 0.37500000000000 0.12500000000000 15.999 > 5 35 O 0.30517486325388 0.87500000000000 0.12500000000000 15.999 > 5 36 O 0.80517486325388 0.87500000000000 0.12500000000000 15.999 > 5 37 O 0.30517486325388 0.37500000000000 0.62500000000000 15.999 > 5 38 O 0.80517486325388 0.37500000000000 0.62500000000000 15.999 > 5 39 O 0.30517486325388 0.87500000000000 0.62500000000000 15.999 > 5 40 O 0.80517486325388 0.87500000000000 0.62500000000000 15.999 > 5 *41 O 0.28261694379247 0.35721624880232 0.28712299547633 15.999 > 6 42 O 0.78261694379247 0.35721624880232 0.28712299547633 15.999 > 6 43 O 0.28261694379247 0.85721624880232 0.28712299547633 15.999 > 6 44 O 0.78261694379247 0.85721624880232 0.28712299547633 15.999 > 6 45 O 0.28261694379247 0.35721624880232 0.78712299547633 15.999 > 6 46 O 0.78261694379247 0.35721624880232 0.78712299547633 15.999 > 6 47 O 0.28261694379247 0.85721624880232 0.78712299547633 15.999 > 6 48 O 0.78261694379247 0.85721624880232 0.78712299547633 15.999 > 6 49 O 0.28261694379247 0.39278375119768 0.46287700452367 15.999 > 7 50 O 0.78261694379247 0.39278375119768 0.46287700452367 15.999 > 7 51 O 0.28261694379247 0.89278375119768 0.46287700452367 15.999 > 7 52 O 0.78261694379247 0.89278375119768 0.46287700452367 15.999 > 7 53 O 0.28261694379247 0.39278375119768 0.96287700452367 15.999 > 7 54 O 0.78261694379247 0.39278375119768 0.96287700452367 15.999 > 7 55 O 0.28261694379247 0.89278375119768 0.96287700452367 15.999 > 7 56 O 0.78261694379247 0.89278375119768 0.96287700452367 15.999 > 7 57 O 0.21738305620753 0.14278375119768 0.21287700452367 15.999 > 8 58 O 0.71738305620753 0.14278375119768 0.21287700452367 15.999 > 8 59 O 0.21738305620753 0.64278375119768 0.21287700452367 15.999 > 8 60 O 0.71738305620753 0.64278375119768 0.21287700452367 15.999 > 8 61 O 0.21738305620753 0.14278375119768 0.71287700452367 15.999 > 8 62 O 0.71738305620753 0.14278375119768 0.71287700452367 15.999 > 8 63 O 0.21738305620753 0.64278375119768 0.71287700452367 15.999 > 8 64 O 0.71738305620753 0.64278375119768 0.71287700452367 15.999 > 8 65 O 0.21738305620753 0.10721624880232 0.03712299547633 15.999 > 9 66 O 0.71738305620753 0.10721624880232 0.03712299547633 15.999 > 9 67 O 0.21738305620753 0.60721624880232 0.03712299547633 15.999 > 9 68 O 0.71738305620753 0.60721624880232 0.03712299547633 15.999 > 9 69 O 0.21738305620753 0.10721624880232 0.53712299547633 15.999 > 9 70 O 0.71738305620753 0.10721624880232 0.53712299547633 15.999 > 9 71 O 0.21738305620753 0.60721624880232 0.53712299547633 15.999 > 9 72 O 0.71738305620753 0.60721624880232 0.53712299547633 15.999 > 9 73 O 0.19482513674612 0.12500000000000 0.37500000000000 15.999 > 10 74 O 0.69482513674612 0.12500000000000 0.37500000000000 15.999 > 10 75 O 0.19482513674612 0.62500000000000 0.37500000000000 15.999 > 10 76 O 0.69482513674612 0.62500000000000 0.37500000000000 15.999 > 10 77 O 0.19482513674612 0.12500000000000 0.87500000000000 15.999 > 10 78 O 0.69482513674612 0.12500000000000 0.87500000000000 15.999 > 10 79 O 0.19482513674612 0.62500000000000 0.87500000000000 15.999 > 10 80 O 0.69482513674612 0.62500000000000 0.87500000000000 15.999 > 10 81 O 0.05517486325388 0.37500000000000 0.37500000000000 15.999 > 11 82 O 0.55517486325388 0.37500000000000 0.37500000000000 15.999 > 11 83 O 0.05517486325388 0.87500000000000 0.37500000000000 15.999 > 11 84 O 0.55517486325388 0.87500000000000 0.37500000000000 15.999 > 11 85 O 0.05517486325388 0.37500000000000 0.87500000000000 15.999 > 11 86 O 0.55517486325388 0.37500000000000 0.87500000000000 15.999 > 11 87 O 0.05517486325388 0.87500000000000 0.87500000000000 15.999 > 11 88 O 0.55517486325388 0.87500000000000 0.87500000000000 15.999 > 11 89 O 0.03261694379247 0.39278375119768 0.03712299547633 15.999 > 12 90 O 0.53261694379247 0.39278375119768 0.03712299547633 15.999 > 12 91 O 0.03261694379247 0.89278375119768 0.03712299547633 15.999 > 12 92 O 0.53261694379247 0.89278375119768 0.03712299547633 15.999 > 12 93 O 0.03261694379247 0.39278375119768 0.53712299547633 15.999 > 12 94 O 0.53261694379247 0.39278375119768 0.53712299547633 15.999 > 12 95 O 0.03261694379247 0.89278375119768 0.53712299547633 15.999 > 12 96 O 0.53261694379247 0.89278375119768 0.53712299547633 15.999 > 12 97 O 0.03261694379247 0.35721624880232 0.21287700452367 15.999 > 13 98 O 0.53261694379247 0.35721624880232 0.21287700452367 15.999 > 13 99 O 0.03261694379247 0.85721624880232 0.21287700452367 15.999 > 13 100 O 0.53261694379247 0.85721624880232 0.21287700452367 15.999 > 13 101 O 0.03261694379247 0.35721624880232 0.71287700452367 15.999 > 13 102 O 0.53261694379247 0.35721624880232 0.71287700452367 15.999 > 13 103 O 0.03261694379247 0.85721624880232 0.71287700452367 15.999 > 13 104 O 0.53261694379247 0.85721624880232 0.71287700452367 15.999 > 13 105 O 0.46738305620753 0.10721624880232 0.46287700452367 15.999 > 14 106 O 0.96738305620753 0.10721624880232 0.46287700452367 15.999 > 14 107 O 0.46738305620753 0.60721624880232 0.46287700452367 15.999 > 14 108 O 0.96738305620753 0.60721624880232 0.46287700452367 15.999 > 14 109 O 0.46738305620753 0.10721624880232 0.96287700452367 15.999 > 14 110 O 0.96738305620753 0.10721624880232 0.96287700452367 15.999 > 14 111 O 0.46738305620753 0.60721624880232 0.96287700452367 15.999 > 14 112 O 0.96738305620753 0.60721624880232 0.96287700452367 15.999 > 14 113 O 0.46738305620753 0.14278375119768 0.28712299547633 15.999 > 15 114 O 0.96738305620753 0.14278375119768 0.28712299547633 15.999 > 15 115 O 0.46738305620753 0.64278375119768 0.28712299547633 15.999 > 15 116 O 0.96738305620753 0.64278375119768 0.28712299547633 15.999 > 15 117 O 0.46738305620753 0.14278375119768 0.78712299547633 15.999 > 15 118 O 0.96738305620753 0.14278375119768 0.78712299547633 15.999 > 15 119 O 0.46738305620753 0.64278375119768 0.78712299547633 15.999 > 15 120 O 0.96738305620753 0.64278375119768 0.78712299547633 15.999 > 15 121 O 0.44482513674612 0.12500000000000 0.12500000000000 15.999 > 16 122 O 0.94482513674612 0.12500000000000 0.12500000000000 15.999 > 16 123 O 0.44482513674612 0.62500000000000 0.12500000000000 15.999 > 16 124 O 0.94482513674612 0.62500000000000 0.12500000000000 15.999 > 16 125 O 0.44482513674612 0.12500000000000 0.62500000000000 15.999 > 16 126 O 0.94482513674612 0.12500000000000 0.62500000000000 15.999 > 16 127 O 0.44482513674612 0.62500000000000 0.62500000000000 15.999 > 16 128 O 0.94482513674612 0.62500000000000 0.62500000000000 15.999 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3860326 0.0000000 0.0000000 0.0000000 3.7716891 0.0000000 0.0000000 0.0000000 4.6034802 -------------------------- Born effective charges -------------------------- 1 Te 5.5605901 -0.1002846 0.0000000 0.7855553 4.3993779 0.0000000 0.0000000 0.0000000 5.6968403 2 Te 5.5605901 0.1002846 0.0000000 -0.7855553 4.3993779 0.0000000 0.0000000 0.0000000 5.6968403 3 Te 5.5605901 -0.1002846 0.0000000 0.7855553 4.3993779 0.0000000 0.0000000 0.0000000 5.6968403 4 Te 5.5605901 0.1002846 0.0000000 -0.7855553 4.3993779 0.0000000 0.0000000 0.0000000 5.6968403 5 O -1.1855960 0.0000000 0.0000000 0.0000000 -2.3010989 1.4453580 0.0000000 1.3039777 -2.4907307 6 O -2.1874971 0.0505772 0.6805832 -0.0014223 -1.0491395 -0.0356901 0.7224458 -0.0769813 -1.6030548 7 O -2.1874971 -0.0505772 -0.6805832 0.0014223 -1.0491395 -0.0356901 -0.7224458 -0.0769813 -1.6030548 8 O -2.1874971 0.0505772 0.6805832 -0.0014223 -1.0491395 -0.0356901 0.7224458 -0.0769813 -1.6030548 9 O -2.1874971 -0.0505772 -0.6805832 0.0014223 -1.0491395 -0.0356901 -0.7224458 -0.0769813 -1.6030548 10 O -1.1855960 0.0000000 0.0000000 0.0000000 -2.3010989 1.4453580 0.0000000 1.3039777 -2.4907307 11 O -1.1855960 0.0000000 0.0000000 0.0000000 -2.3010989 -1.4453580 0.0000000 -1.3039777 -2.4907307 12 O -2.1874971 -0.0505772 0.6805832 0.0014223 -1.0491395 0.0356901 0.7224458 0.0769813 -1.6030548 13 O -2.1874971 0.0505772 -0.6805832 -0.0014223 -1.0491395 0.0356901 -0.7224458 0.0769813 -1.6030548 14 O -2.1874971 -0.0505772 0.6805832 0.0014223 -1.0491395 0.0356901 0.7224458 0.0769813 -1.6030548 15 O -2.1874971 0.0505772 -0.6805832 -0.0014223 -1.0491395 0.0356901 -0.7224458 0.0769813 -1.6030548 16 O -1.1855960 0.0000000 0.0000000 0.0000000 -2.3010989 -1.4453580 0.0000000 -1.3039777 -2.4907307 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1252 Number of blocks in projector: 1252 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 248 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 164 Use standard eigh solver. Tree of FC basis block matrices: - (1252, 1233), data: False |-- (164, 161), data: True |-- (164, 161), data: True |-- (164, 161), data: True |-- (248, 246), data: True |-- (256, 252), data: True |-- (256, 252), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.767 Solver_block: 200 / 240 - Time: 1.784 Solver_block: 240 / 240 - Time: 0.772 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.350 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1252 Number of blocks in projector: 1252 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 248 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 164 Use standard eigh solver. Tree of FC basis block matrices: - (1252, 1233), data: False |-- (164, 161), data: True |-- (164, 161), data: True |-- (164, 161), data: True |-- (248, 246), data: True |-- (256, 252), data: True |-- (256, 252), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:28:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:28:20]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.170498869999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.853429810000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.384975450000001 Atomic positions (fractional): 1 Te 0.75000000000000 0.00000000000000 0.09217473891449 127.600 2 Te 0.75000000000000 0.50000000000000 0.40782526108550 127.600 3 Te 0.25000000000000 0.00000000000000 0.90782526108550 127.600 4 Te 0.25000000000000 0.50000000000000 0.59217473891450 127.600 5 O 0.61034972650776 0.75000000000000 0.25000000000000 15.999 6 O 0.56523388758495 0.71443249760463 0.57424599095266 15.999 7 O 0.56523388758495 0.78556750239537 0.92575400904734 15.999 8 O 0.43476611241505 0.28556750239537 0.42575400904734 15.999 9 O 0.43476611241505 0.21443249760463 0.07424599095266 15.999 10 O 0.38965027349224 0.25000000000000 0.75000000000000 15.999 11 O 0.11034972650776 0.75000000000000 0.75000000000000 15.999 12 O 0.06523388758495 0.78556750239537 0.07424599095266 15.999 13 O 0.06523388758495 0.71443249760463 0.42575400904734 15.999 14 O 0.93476611241505 0.21443249760463 0.92575400904734 15.999 15 O 0.93476611241505 0.28556750239537 0.57424599095266 15.999 16 O 0.88965027349224 0.25000000000000 0.25000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.340997739999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.706859619999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.769950900000001 Atomic positions (fractional): 1 Te 0.37500000000000 0.00000000000000 0.04608736945725 127.600 > 1 2 Te 0.87500000000000 0.00000000000000 0.04608736945725 127.600 > 1 3 Te 0.37500000000000 0.50000000000000 0.04608736945725 127.600 > 1 4 Te 0.87500000000000 0.50000000000000 0.04608736945725 127.600 > 1 5 Te 0.37500000000000 0.00000000000000 0.54608736945725 127.600 > 1 6 Te 0.87500000000000 0.00000000000000 0.54608736945725 127.600 > 1 7 Te 0.37500000000000 0.50000000000000 0.54608736945725 127.600 > 1 8 Te 0.87500000000000 0.50000000000000 0.54608736945725 127.600 > 1 9 Te 0.37500000000000 0.25000000000000 0.20391263054275 127.600 > 9 10 Te 0.87500000000000 0.25000000000000 0.20391263054275 127.600 > 9 11 Te 0.37500000000000 0.75000000000000 0.20391263054275 127.600 > 9 12 Te 0.87500000000000 0.75000000000000 0.20391263054275 127.600 > 9 13 Te 0.37500000000000 0.25000000000000 0.70391263054275 127.600 > 9 14 Te 0.87500000000000 0.25000000000000 0.70391263054275 127.600 > 9 15 Te 0.37500000000000 0.75000000000000 0.70391263054275 127.600 > 9 16 Te 0.87500000000000 0.75000000000000 0.70391263054275 127.600 > 9 17 Te 0.12500000000000 0.00000000000000 0.45391263054275 127.600 > 17 18 Te 0.62500000000000 0.00000000000000 0.45391263054275 127.600 > 17 19 Te 0.12500000000000 0.50000000000000 0.45391263054275 127.600 > 17 20 Te 0.62500000000000 0.50000000000000 0.45391263054275 127.600 > 17 21 Te 0.12500000000000 0.00000000000000 0.95391263054275 127.600 > 17 22 Te 0.62500000000000 0.00000000000000 0.95391263054275 127.600 > 17 23 Te 0.12500000000000 0.50000000000000 0.95391263054275 127.600 > 17 24 Te 0.62500000000000 0.50000000000000 0.95391263054275 127.600 > 17 25 Te 0.12500000000000 0.25000000000000 0.29608736945725 127.600 > 25 26 Te 0.62500000000000 0.25000000000000 0.29608736945725 127.600 > 25 27 Te 0.12500000000000 0.75000000000000 0.29608736945725 127.600 > 25 28 Te 0.62500000000000 0.75000000000000 0.29608736945725 127.600 > 25 29 Te 0.12500000000000 0.25000000000000 0.79608736945725 127.600 > 25 30 Te 0.62500000000000 0.25000000000000 0.79608736945725 127.600 > 25 31 Te 0.12500000000000 0.75000000000000 0.79608736945725 127.600 > 25 32 Te 0.62500000000000 0.75000000000000 0.79608736945725 127.600 > 25 33 O 0.30517486325388 0.37500000000000 0.12500000000000 15.999 > 33 34 O 0.80517486325388 0.37500000000000 0.12500000000000 15.999 > 33 35 O 0.30517486325388 0.87500000000000 0.12500000000000 15.999 > 33 36 O 0.80517486325388 0.87500000000000 0.12500000000000 15.999 > 33 37 O 0.30517486325388 0.37500000000000 0.62500000000000 15.999 > 33 38 O 0.80517486325388 0.37500000000000 0.62500000000000 15.999 > 33 39 O 0.30517486325388 0.87500000000000 0.62500000000000 15.999 > 33 40 O 0.80517486325388 0.87500000000000 0.62500000000000 15.999 > 33 41 O 0.28261694379247 0.35721624880232 0.28712299547633 15.999 > 41 42 O 0.78261694379247 0.35721624880232 0.28712299547633 15.999 > 41 43 O 0.28261694379247 0.85721624880232 0.28712299547633 15.999 > 41 44 O 0.78261694379247 0.85721624880232 0.28712299547633 15.999 > 41 45 O 0.28261694379247 0.35721624880232 0.78712299547633 15.999 > 41 46 O 0.78261694379247 0.35721624880232 0.78712299547633 15.999 > 41 47 O 0.28261694379247 0.85721624880232 0.78712299547633 15.999 > 41 48 O 0.78261694379247 0.85721624880232 0.78712299547633 15.999 > 41 49 O 0.28261694379247 0.39278375119768 0.46287700452367 15.999 > 49 50 O 0.78261694379247 0.39278375119768 0.46287700452367 15.999 > 49 51 O 0.28261694379247 0.89278375119768 0.46287700452367 15.999 > 49 52 O 0.78261694379247 0.89278375119768 0.46287700452367 15.999 > 49 53 O 0.28261694379247 0.39278375119768 0.96287700452367 15.999 > 49 54 O 0.78261694379247 0.39278375119768 0.96287700452367 15.999 > 49 55 O 0.28261694379247 0.89278375119768 0.96287700452367 15.999 > 49 56 O 0.78261694379247 0.89278375119768 0.96287700452367 15.999 > 49 57 O 0.21738305620753 0.14278375119768 0.21287700452367 15.999 > 57 58 O 0.71738305620753 0.14278375119768 0.21287700452367 15.999 > 57 59 O 0.21738305620753 0.64278375119768 0.21287700452367 15.999 > 57 60 O 0.71738305620753 0.64278375119768 0.21287700452367 15.999 > 57 61 O 0.21738305620753 0.14278375119768 0.71287700452367 15.999 > 57 62 O 0.71738305620753 0.14278375119768 0.71287700452367 15.999 > 57 63 O 0.21738305620753 0.64278375119768 0.71287700452367 15.999 > 57 64 O 0.71738305620753 0.64278375119768 0.71287700452367 15.999 > 57 65 O 0.21738305620753 0.10721624880232 0.03712299547633 15.999 > 65 66 O 0.71738305620753 0.10721624880232 0.03712299547633 15.999 > 65 67 O 0.21738305620753 0.60721624880232 0.03712299547633 15.999 > 65 68 O 0.71738305620753 0.60721624880232 0.03712299547633 15.999 > 65 69 O 0.21738305620753 0.10721624880232 0.53712299547633 15.999 > 65 70 O 0.71738305620753 0.10721624880232 0.53712299547633 15.999 > 65 71 O 0.21738305620753 0.60721624880232 0.53712299547633 15.999 > 65 72 O 0.71738305620753 0.60721624880232 0.53712299547633 15.999 > 65 73 O 0.19482513674612 0.12500000000000 0.37500000000000 15.999 > 73 74 O 0.69482513674612 0.12500000000000 0.37500000000000 15.999 > 73 75 O 0.19482513674612 0.62500000000000 0.37500000000000 15.999 > 73 76 O 0.69482513674612 0.62500000000000 0.37500000000000 15.999 > 73 77 O 0.19482513674612 0.12500000000000 0.87500000000000 15.999 > 73 78 O 0.69482513674612 0.12500000000000 0.87500000000000 15.999 > 73 79 O 0.19482513674612 0.62500000000000 0.87500000000000 15.999 > 73 80 O 0.69482513674612 0.62500000000000 0.87500000000000 15.999 > 73 81 O 0.05517486325388 0.37500000000000 0.37500000000000 15.999 > 81 82 O 0.55517486325388 0.37500000000000 0.37500000000000 15.999 > 81 83 O 0.05517486325388 0.87500000000000 0.37500000000000 15.999 > 81 84 O 0.55517486325388 0.87500000000000 0.37500000000000 15.999 > 81 85 O 0.05517486325388 0.37500000000000 0.87500000000000 15.999 > 81 86 O 0.55517486325388 0.37500000000000 0.87500000000000 15.999 > 81 87 O 0.05517486325388 0.87500000000000 0.87500000000000 15.999 > 81 88 O 0.55517486325388 0.87500000000000 0.87500000000000 15.999 > 81 89 O 0.03261694379247 0.39278375119768 0.03712299547633 15.999 > 89 90 O 0.53261694379247 0.39278375119768 0.03712299547633 15.999 > 89 91 O 0.03261694379247 0.89278375119768 0.03712299547633 15.999 > 89 92 O 0.53261694379247 0.89278375119768 0.03712299547633 15.999 > 89 93 O 0.03261694379247 0.39278375119768 0.53712299547633 15.999 > 89 94 O 0.53261694379247 0.39278375119768 0.53712299547633 15.999 > 89 95 O 0.03261694379247 0.89278375119768 0.53712299547633 15.999 > 89 96 O 0.53261694379247 0.89278375119768 0.53712299547633 15.999 > 89 97 O 0.03261694379247 0.35721624880232 0.21287700452367 15.999 > 97 98 O 0.53261694379247 0.35721624880232 0.21287700452367 15.999 > 97 99 O 0.03261694379247 0.85721624880232 0.21287700452367 15.999 > 97 100 O 0.53261694379247 0.85721624880232 0.21287700452367 15.999 > 97 101 O 0.03261694379247 0.35721624880232 0.71287700452367 15.999 > 97 102 O 0.53261694379247 0.35721624880232 0.71287700452367 15.999 > 97 103 O 0.03261694379247 0.85721624880232 0.71287700452367 15.999 > 97 104 O 0.53261694379247 0.85721624880232 0.71287700452367 15.999 > 97 105 O 0.46738305620753 0.10721624880232 0.46287700452367 15.999 > 105 106 O 0.96738305620753 0.10721624880232 0.46287700452367 15.999 > 105 107 O 0.46738305620753 0.60721624880232 0.46287700452367 15.999 > 105 108 O 0.96738305620753 0.60721624880232 0.46287700452367 15.999 > 105 109 O 0.46738305620753 0.10721624880232 0.96287700452367 15.999 > 105 110 O 0.96738305620753 0.10721624880232 0.96287700452367 15.999 > 105 111 O 0.46738305620753 0.60721624880232 0.96287700452367 15.999 > 105 112 O 0.96738305620753 0.60721624880232 0.96287700452367 15.999 > 105 113 O 0.46738305620753 0.14278375119768 0.28712299547633 15.999 > 113 114 O 0.96738305620753 0.14278375119768 0.28712299547633 15.999 > 113 115 O 0.46738305620753 0.64278375119768 0.28712299547633 15.999 > 113 116 O 0.96738305620753 0.64278375119768 0.28712299547633 15.999 > 113 117 O 0.46738305620753 0.14278375119768 0.78712299547633 15.999 > 113 118 O 0.96738305620753 0.14278375119768 0.78712299547633 15.999 > 113 119 O 0.46738305620753 0.64278375119768 0.78712299547633 15.999 > 113 120 O 0.96738305620753 0.64278375119768 0.78712299547633 15.999 > 113 121 O 0.44482513674612 0.12500000000000 0.12500000000000 15.999 > 121 122 O 0.94482513674612 0.12500000000000 0.12500000000000 15.999 > 121 123 O 0.44482513674612 0.62500000000000 0.12500000000000 15.999 > 121 124 O 0.94482513674612 0.62500000000000 0.12500000000000 15.999 > 121 125 O 0.44482513674612 0.12500000000000 0.62500000000000 15.999 > 121 126 O 0.94482513674612 0.12500000000000 0.62500000000000 15.999 > 121 127 O 0.44482513674612 0.62500000000000 0.62500000000000 15.999 > 121 128 O 0.94482513674612 0.62500000000000 0.62500000000000 15.999 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3860326 0.0000000 0.0000000 0.0000000 3.7716891 0.0000000 0.0000000 0.0000000 4.6034802 -------------------------- Born effective charges -------------------------- 1 Te 5.5605901 -0.1002846 0.0000000 0.7855553 4.3993779 0.0000000 0.0000000 0.0000000 5.6968403 2 Te 5.5605901 0.1002846 0.0000000 -0.7855553 4.3993779 0.0000000 0.0000000 0.0000000 5.6968403 3 Te 5.5605901 -0.1002846 0.0000000 0.7855553 4.3993779 0.0000000 0.0000000 0.0000000 5.6968403 4 Te 5.5605901 0.1002846 0.0000000 -0.7855553 4.3993779 0.0000000 0.0000000 0.0000000 5.6968403 5 O -1.1855960 0.0000000 0.0000000 0.0000000 -2.3010989 1.4453580 0.0000000 1.3039777 -2.4907307 6 O -2.1874971 0.0505772 0.6805832 -0.0014223 -1.0491395 -0.0356901 0.7224458 -0.0769813 -1.6030548 7 O -2.1874971 -0.0505772 -0.6805832 0.0014223 -1.0491395 -0.0356901 -0.7224458 -0.0769813 -1.6030548 8 O -2.1874971 0.0505772 0.6805832 -0.0014223 -1.0491395 -0.0356901 0.7224458 -0.0769813 -1.6030548 9 O -2.1874971 -0.0505772 -0.6805832 0.0014223 -1.0491395 -0.0356901 -0.7224458 -0.0769813 -1.6030548 10 O -1.1855960 0.0000000 0.0000000 0.0000000 -2.3010989 1.4453580 0.0000000 1.3039777 -2.4907307 11 O -1.1855960 0.0000000 0.0000000 0.0000000 -2.3010989 -1.4453580 0.0000000 -1.3039777 -2.4907307 12 O -2.1874971 -0.0505772 0.6805832 0.0014223 -1.0491395 0.0356901 0.7224458 0.0769813 -1.6030548 13 O -2.1874971 0.0505772 -0.6805832 -0.0014223 -1.0491395 0.0356901 -0.7224458 0.0769813 -1.6030548 14 O -2.1874971 -0.0505772 0.6805832 0.0014223 -1.0491395 0.0356901 0.7224458 0.0769813 -1.6030548 15 O -2.1874971 0.0505772 -0.6805832 -0.0014223 -1.0491395 0.0356901 -0.7224458 0.0769813 -1.6030548 16 O -1.1855960 0.0000000 0.0000000 0.0000000 -2.3010989 -1.4453580 0.0000000 -1.3039777 -2.4907307 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000030 (zzz) 0.00000030 (zzz) 0.00000030 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000006 (zy) 0.00000006 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:28:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:28:37]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.170498869999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.853429810000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.384975450000001 Atomic positions (fractional): 1 Te 0.75000000000000 0.00000000000000 0.09217473891449 127.600 2 Te 0.75000000000000 0.50000000000000 0.40782526108550 127.600 3 Te 0.25000000000000 0.00000000000000 0.90782526108550 127.600 4 Te 0.25000000000000 0.50000000000000 0.59217473891450 127.600 5 O 0.61034972650776 0.75000000000000 0.25000000000000 15.999 6 O 0.56523388758495 0.71443249760463 0.57424599095266 15.999 7 O 0.56523388758495 0.78556750239537 0.92575400904734 15.999 8 O 0.43476611241505 0.28556750239537 0.42575400904734 15.999 9 O 0.43476611241505 0.21443249760463 0.07424599095266 15.999 10 O 0.38965027349224 0.25000000000000 0.75000000000000 15.999 11 O 0.11034972650776 0.75000000000000 0.75000000000000 15.999 12 O 0.06523388758495 0.78556750239537 0.07424599095266 15.999 13 O 0.06523388758495 0.71443249760463 0.42575400904734 15.999 14 O 0.93476611241505 0.21443249760463 0.92575400904734 15.999 15 O 0.93476611241505 0.28556750239537 0.57424599095266 15.999 16 O 0.88965027349224 0.25000000000000 0.25000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.340997739999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.706859619999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.769950900000001 Atomic positions (fractional): 1 Te 0.37500000000000 0.00000000000000 0.04608736945725 127.600 > 1 2 Te 0.87500000000000 0.00000000000000 0.04608736945725 127.600 > 1 3 Te 0.37500000000000 0.50000000000000 0.04608736945725 127.600 > 1 4 Te 0.87500000000000 0.50000000000000 0.04608736945725 127.600 > 1 5 Te 0.37500000000000 0.00000000000000 0.54608736945725 127.600 > 1 6 Te 0.87500000000000 0.00000000000000 0.54608736945725 127.600 > 1 7 Te 0.37500000000000 0.50000000000000 0.54608736945725 127.600 > 1 8 Te 0.87500000000000 0.50000000000000 0.54608736945725 127.600 > 1 9 Te 0.37500000000000 0.25000000000000 0.20391263054275 127.600 > 9 10 Te 0.87500000000000 0.25000000000000 0.20391263054275 127.600 > 9 11 Te 0.37500000000000 0.75000000000000 0.20391263054275 127.600 > 9 12 Te 0.87500000000000 0.75000000000000 0.20391263054275 127.600 > 9 13 Te 0.37500000000000 0.25000000000000 0.70391263054275 127.600 > 9 14 Te 0.87500000000000 0.25000000000000 0.70391263054275 127.600 > 9 15 Te 0.37500000000000 0.75000000000000 0.70391263054275 127.600 > 9 16 Te 0.87500000000000 0.75000000000000 0.70391263054275 127.600 > 9 17 Te 0.12500000000000 0.00000000000000 0.45391263054275 127.600 > 17 18 Te 0.62500000000000 0.00000000000000 0.45391263054275 127.600 > 17 19 Te 0.12500000000000 0.50000000000000 0.45391263054275 127.600 > 17 20 Te 0.62500000000000 0.50000000000000 0.45391263054275 127.600 > 17 21 Te 0.12500000000000 0.00000000000000 0.95391263054275 127.600 > 17 22 Te 0.62500000000000 0.00000000000000 0.95391263054275 127.600 > 17 23 Te 0.12500000000000 0.50000000000000 0.95391263054275 127.600 > 17 24 Te 0.62500000000000 0.50000000000000 0.95391263054275 127.600 > 17 25 Te 0.12500000000000 0.25000000000000 0.29608736945725 127.600 > 25 26 Te 0.62500000000000 0.25000000000000 0.29608736945725 127.600 > 25 27 Te 0.12500000000000 0.75000000000000 0.29608736945725 127.600 > 25 28 Te 0.62500000000000 0.75000000000000 0.29608736945725 127.600 > 25 29 Te 0.12500000000000 0.25000000000000 0.79608736945725 127.600 > 25 30 Te 0.62500000000000 0.25000000000000 0.79608736945725 127.600 > 25 31 Te 0.12500000000000 0.75000000000000 0.79608736945725 127.600 > 25 32 Te 0.62500000000000 0.75000000000000 0.79608736945725 127.600 > 25 33 O 0.30517486325388 0.37500000000000 0.12500000000000 15.999 > 33 34 O 0.80517486325388 0.37500000000000 0.12500000000000 15.999 > 33 35 O 0.30517486325388 0.87500000000000 0.12500000000000 15.999 > 33 36 O 0.80517486325388 0.87500000000000 0.12500000000000 15.999 > 33 37 O 0.30517486325388 0.37500000000000 0.62500000000000 15.999 > 33 38 O 0.80517486325388 0.37500000000000 0.62500000000000 15.999 > 33 39 O 0.30517486325388 0.87500000000000 0.62500000000000 15.999 > 33 40 O 0.80517486325388 0.87500000000000 0.62500000000000 15.999 > 33 41 O 0.28261694379247 0.35721624880232 0.28712299547633 15.999 > 41 42 O 0.78261694379247 0.35721624880232 0.28712299547633 15.999 > 41 43 O 0.28261694379247 0.85721624880232 0.28712299547633 15.999 > 41 44 O 0.78261694379247 0.85721624880232 0.28712299547633 15.999 > 41 45 O 0.28261694379247 0.35721624880232 0.78712299547633 15.999 > 41 46 O 0.78261694379247 0.35721624880232 0.78712299547633 15.999 > 41 47 O 0.28261694379247 0.85721624880232 0.78712299547633 15.999 > 41 48 O 0.78261694379247 0.85721624880232 0.78712299547633 15.999 > 41 49 O 0.28261694379247 0.39278375119768 0.46287700452367 15.999 > 49 50 O 0.78261694379247 0.39278375119768 0.46287700452367 15.999 > 49 51 O 0.28261694379247 0.89278375119768 0.46287700452367 15.999 > 49 52 O 0.78261694379247 0.89278375119768 0.46287700452367 15.999 > 49 53 O 0.28261694379247 0.39278375119768 0.96287700452367 15.999 > 49 54 O 0.78261694379247 0.39278375119768 0.96287700452367 15.999 > 49 55 O 0.28261694379247 0.89278375119768 0.96287700452367 15.999 > 49 56 O 0.78261694379247 0.89278375119768 0.96287700452367 15.999 > 49 57 O 0.21738305620753 0.14278375119768 0.21287700452367 15.999 > 57 58 O 0.71738305620753 0.14278375119768 0.21287700452367 15.999 > 57 59 O 0.21738305620753 0.64278375119768 0.21287700452367 15.999 > 57 60 O 0.71738305620753 0.64278375119768 0.21287700452367 15.999 > 57 61 O 0.21738305620753 0.14278375119768 0.71287700452367 15.999 > 57 62 O 0.71738305620753 0.14278375119768 0.71287700452367 15.999 > 57 63 O 0.21738305620753 0.64278375119768 0.71287700452367 15.999 > 57 64 O 0.71738305620753 0.64278375119768 0.71287700452367 15.999 > 57 65 O 0.21738305620753 0.10721624880232 0.03712299547633 15.999 > 65 66 O 0.71738305620753 0.10721624880232 0.03712299547633 15.999 > 65 67 O 0.21738305620753 0.60721624880232 0.03712299547633 15.999 > 65 68 O 0.71738305620753 0.60721624880232 0.03712299547633 15.999 > 65 69 O 0.21738305620753 0.10721624880232 0.53712299547633 15.999 > 65 70 O 0.71738305620753 0.10721624880232 0.53712299547633 15.999 > 65 71 O 0.21738305620753 0.60721624880232 0.53712299547633 15.999 > 65 72 O 0.71738305620753 0.60721624880232 0.53712299547633 15.999 > 65 73 O 0.19482513674612 0.12500000000000 0.37500000000000 15.999 > 73 74 O 0.69482513674612 0.12500000000000 0.37500000000000 15.999 > 73 75 O 0.19482513674612 0.62500000000000 0.37500000000000 15.999 > 73 76 O 0.69482513674612 0.62500000000000 0.37500000000000 15.999 > 73 77 O 0.19482513674612 0.12500000000000 0.87500000000000 15.999 > 73 78 O 0.69482513674612 0.12500000000000 0.87500000000000 15.999 > 73 79 O 0.19482513674612 0.62500000000000 0.87500000000000 15.999 > 73 80 O 0.69482513674612 0.62500000000000 0.87500000000000 15.999 > 73 81 O 0.05517486325388 0.37500000000000 0.37500000000000 15.999 > 81 82 O 0.55517486325388 0.37500000000000 0.37500000000000 15.999 > 81 83 O 0.05517486325388 0.87500000000000 0.37500000000000 15.999 > 81 84 O 0.55517486325388 0.87500000000000 0.37500000000000 15.999 > 81 85 O 0.05517486325388 0.37500000000000 0.87500000000000 15.999 > 81 86 O 0.55517486325388 0.37500000000000 0.87500000000000 15.999 > 81 87 O 0.05517486325388 0.87500000000000 0.87500000000000 15.999 > 81 88 O 0.55517486325388 0.87500000000000 0.87500000000000 15.999 > 81 89 O 0.03261694379247 0.39278375119768 0.03712299547633 15.999 > 89 90 O 0.53261694379247 0.39278375119768 0.03712299547633 15.999 > 89 91 O 0.03261694379247 0.89278375119768 0.03712299547633 15.999 > 89 92 O 0.53261694379247 0.89278375119768 0.03712299547633 15.999 > 89 93 O 0.03261694379247 0.39278375119768 0.53712299547633 15.999 > 89 94 O 0.53261694379247 0.39278375119768 0.53712299547633 15.999 > 89 95 O 0.03261694379247 0.89278375119768 0.53712299547633 15.999 > 89 96 O 0.53261694379247 0.89278375119768 0.53712299547633 15.999 > 89 97 O 0.03261694379247 0.35721624880232 0.21287700452367 15.999 > 97 98 O 0.53261694379247 0.35721624880232 0.21287700452367 15.999 > 97 99 O 0.03261694379247 0.85721624880232 0.21287700452367 15.999 > 97 100 O 0.53261694379247 0.85721624880232 0.21287700452367 15.999 > 97 101 O 0.03261694379247 0.35721624880232 0.71287700452367 15.999 > 97 102 O 0.53261694379247 0.35721624880232 0.71287700452367 15.999 > 97 103 O 0.03261694379247 0.85721624880232 0.71287700452367 15.999 > 97 104 O 0.53261694379247 0.85721624880232 0.71287700452367 15.999 > 97 105 O 0.46738305620753 0.10721624880232 0.46287700452367 15.999 > 105 106 O 0.96738305620753 0.10721624880232 0.46287700452367 15.999 > 105 107 O 0.46738305620753 0.60721624880232 0.46287700452367 15.999 > 105 108 O 0.96738305620753 0.60721624880232 0.46287700452367 15.999 > 105 109 O 0.46738305620753 0.10721624880232 0.96287700452367 15.999 > 105 110 O 0.96738305620753 0.10721624880232 0.96287700452367 15.999 > 105 111 O 0.46738305620753 0.60721624880232 0.96287700452367 15.999 > 105 112 O 0.96738305620753 0.60721624880232 0.96287700452367 15.999 > 105 113 O 0.46738305620753 0.14278375119768 0.28712299547633 15.999 > 113 114 O 0.96738305620753 0.14278375119768 0.28712299547633 15.999 > 113 115 O 0.46738305620753 0.64278375119768 0.28712299547633 15.999 > 113 116 O 0.96738305620753 0.64278375119768 0.28712299547633 15.999 > 113 117 O 0.46738305620753 0.14278375119768 0.78712299547633 15.999 > 113 118 O 0.96738305620753 0.14278375119768 0.78712299547633 15.999 > 113 119 O 0.46738305620753 0.64278375119768 0.78712299547633 15.999 > 113 120 O 0.96738305620753 0.64278375119768 0.78712299547633 15.999 > 113 121 O 0.44482513674612 0.12500000000000 0.12500000000000 15.999 > 121 122 O 0.94482513674612 0.12500000000000 0.12500000000000 15.999 > 121 123 O 0.44482513674612 0.62500000000000 0.12500000000000 15.999 > 121 124 O 0.94482513674612 0.62500000000000 0.12500000000000 15.999 > 121 125 O 0.44482513674612 0.12500000000000 0.62500000000000 15.999 > 121 126 O 0.94482513674612 0.12500000000000 0.62500000000000 15.999 > 121 127 O 0.44482513674612 0.62500000000000 0.62500000000000 15.999 > 121 128 O 0.94482513674612 0.62500000000000 0.62500000000000 15.999 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3860326 0.0000000 0.0000000 0.0000000 3.7716891 0.0000000 0.0000000 0.0000000 4.6034802 -------------------------- Born effective charges -------------------------- 1 Te 5.5605901 -0.1002846 0.0000000 0.7855553 4.3993779 0.0000000 0.0000000 0.0000000 5.6968403 2 Te 5.5605901 0.1002846 0.0000000 -0.7855553 4.3993779 0.0000000 0.0000000 0.0000000 5.6968403 3 Te 5.5605901 -0.1002846 0.0000000 0.7855553 4.3993779 0.0000000 0.0000000 0.0000000 5.6968403 4 Te 5.5605901 0.1002846 0.0000000 -0.7855553 4.3993779 0.0000000 0.0000000 0.0000000 5.6968403 5 O -1.1855960 0.0000000 0.0000000 0.0000000 -2.3010989 1.4453580 0.0000000 1.3039777 -2.4907307 6 O -2.1874971 0.0505772 0.6805832 -0.0014223 -1.0491395 -0.0356901 0.7224458 -0.0769813 -1.6030548 7 O -2.1874971 -0.0505772 -0.6805832 0.0014223 -1.0491395 -0.0356901 -0.7224458 -0.0769813 -1.6030548 8 O -2.1874971 0.0505772 0.6805832 -0.0014223 -1.0491395 -0.0356901 0.7224458 -0.0769813 -1.6030548 9 O -2.1874971 -0.0505772 -0.6805832 0.0014223 -1.0491395 -0.0356901 -0.7224458 -0.0769813 -1.6030548 10 O -1.1855960 0.0000000 0.0000000 0.0000000 -2.3010989 1.4453580 0.0000000 1.3039777 -2.4907307 11 O -1.1855960 0.0000000 0.0000000 0.0000000 -2.3010989 -1.4453580 0.0000000 -1.3039777 -2.4907307 12 O -2.1874971 -0.0505772 0.6805832 0.0014223 -1.0491395 0.0356901 0.7224458 0.0769813 -1.6030548 13 O -2.1874971 0.0505772 -0.6805832 -0.0014223 -1.0491395 0.0356901 -0.7224458 0.0769813 -1.6030548 14 O -2.1874971 -0.0505772 0.6805832 0.0014223 -1.0491395 0.0356901 0.7224458 0.0769813 -1.6030548 15 O -2.1874971 0.0505772 -0.6805832 -0.0014223 -1.0491395 0.0356901 -0.7224458 0.0769813 -1.6030548 16 O -1.1855960 0.0000000 0.0000000 0.0000000 -2.3010989 -1.4453580 0.0000000 -1.3039777 -2.4907307 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000030 (zzz) 0.00000030 (zzz) 0.00000030 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 6 ] 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: 0.70, Number of G-points: 299, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/144) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 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 1.288 ( 0.000 0.000 0.000) 0.000 2.022 ( 0.000 0.000 0.000) 0.000 4.320 ( 0.000 0.000 0.000) 0.000 4.404 ( 0.000 0.000 0.000) 0.000 4.539 ( 0.000 0.000 0.000) 0.000 5.870 ( 0.000 0.000 0.000) 0.000 5.883 ( 0.000 0.000 0.000) 0.000 5.930 ( 0.000 0.000 0.000) 0.000 6.689 ( 0.000 0.000 0.000) 0.000 6.892 ( 0.000 0.000 0.000) 0.000 7.430 ( 0.000 0.000 0.000) 0.000 7.880 ( 0.000 0.000 0.000) 0.000 7.983 ( 0.000 0.000 0.000) 0.000 8.016 ( 0.000 0.000 0.000) 0.000 8.149 ( 0.000 0.000 0.000) 0.000 8.460 ( 0.000 0.000 0.000) 0.000 8.602 ( 0.000 0.000 0.000) 0.000 9.475 ( 0.000 0.000 0.000) 0.000 9.673 ( 0.000 0.000 0.000) 0.000 9.693 ( 0.000 0.000 0.000) 0.000 9.732 ( 0.000 0.000 0.000) 0.000 11.806 ( 0.000 0.000 0.000) 0.000 12.440 ( 0.000 0.000 0.000) 0.000 12.640 ( 0.000 0.000 0.000) 0.000 13.662 ( 0.000 0.000 0.000) 0.000 15.568 ( 0.000 0.000 0.000) 0.000 15.666 ( 0.000 0.000 0.000) 0.000 15.846 ( 0.000 0.000 0.000) 0.000 15.976 ( 0.000 0.000 0.000) 0.000 16.035 ( 0.000 0.000 0.000) 0.000 16.835 ( 0.000 0.000 0.000) 0.000 16.881 ( 0.000 0.000 0.000) 0.000 17.629 ( 0.000 0.000 0.000) 0.000 17.634 ( 0.000 0.000 0.000) 0.000 18.284 ( 0.000 0.000 0.000) 0.000 18.516 ( 0.000 0.000 0.000) 0.000 19.468 ( 0.000 0.000 0.000) 0.000 19.561 ( 0.000 0.000 0.000) 0.000 20.043 ( 0.000 0.000 0.000) 0.000 20.132 ( 0.000 0.000 0.000) 0.000 20.281 ( 0.000 0.000 0.000) 0.000 20.316 ( 0.000 0.000 0.000) 0.000 20.381 ( 0.000 0.000 0.000) 0.000 22.552 ( 0.000 0.000 0.000) 0.000 23.980 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/144) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( 18.193 0.000 0.000) 18.193 0.381 ( 21.052 0.000 0.000) 21.052 1.155 ( 58.818 0.000 0.000) 58.818 1.403 ( 10.909 0.000 0.000) 10.909 2.302 ( 25.791 0.000 0.000) 25.791 4.288 ( -3.240 0.000 0.000) 3.240 4.385 ( -2.110 0.000 0.000) 2.110 4.888 ( 1.358 0.000 0.000) 1.358 5.785 ( -7.059 0.000 0.000) 7.059 5.846 ( -3.506 0.000 0.000) 3.506 5.947 ( 0.116 0.000 0.000) 0.116 6.717 ( 2.834 0.000 0.000) 2.834 6.886 ( -0.528 0.000 0.000) 0.528 7.218 ( -13.829 0.000 0.000) 13.829 7.878 ( -11.259 0.000 0.000) 11.259 8.056 ( 1.427 0.000 0.000) 1.427 8.113 ( -3.683 0.000 0.000) 3.683 8.170 ( 21.887 0.000 0.000) 21.887 8.515 ( 4.160 0.000 0.000) 4.160 8.552 ( -4.889 0.000 0.000) 4.889 9.431 ( -4.570 0.000 0.000) 4.570 9.541 ( -10.714 0.000 0.000) 10.714 9.636 ( -3.724 0.000 0.000) 3.724 9.816 ( 3.817 0.000 0.000) 3.817 11.829 ( 2.259 0.000 0.000) 2.259 12.581 ( -5.594 0.000 0.000) 5.594 13.690 ( 2.660 0.000 0.000) 2.660 14.020 ( -0.538 0.000 0.000) 0.538 15.337 ( -12.777 0.000 0.000) 12.777 15.714 ( -9.469 0.000 0.000) 9.469 15.914 ( 14.326 0.000 0.000) 14.326 16.064 ( 2.911 0.000 0.000) 2.911 16.087 ( 7.291 0.000 0.000) 7.291 16.873 ( -0.772 0.000 0.000) 0.772 17.661 ( 3.287 0.000 0.000) 3.287 17.661 ( 2.625 0.000 0.000) 2.625 18.078 ( -2.087 0.000 0.000) 2.087 18.299 ( 1.460 0.000 0.000) 1.460 19.483 ( 1.582 0.000 0.000) 1.582 19.575 ( 1.421 0.000 0.000) 1.421 20.023 ( -1.881 0.000 0.000) 1.881 20.128 ( -0.401 0.000 0.000) 0.401 20.286 ( 0.624 0.000 0.000) 0.624 20.303 ( -1.346 0.000 0.000) 1.346 20.373 ( -0.801 0.000 0.000) 0.801 21.001 ( -2.185 0.000 0.000) 2.185 22.570 ( 1.974 0.000 0.000) 1.974 23.927 ( -5.436 0.000 0.000) 5.436 ======================= Grid point 2 (3/144) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 19.741 0.000 0.000) 19.741 0.823 ( 24.487 0.000 0.000) 24.487 1.661 ( 14.643 0.000 0.000) 14.643 2.256 ( 54.491 0.000 0.000) 54.491 2.856 ( 27.213 0.000 0.000) 27.213 4.199 ( -5.809 0.000 0.000) 5.809 4.315 ( -5.482 0.000 0.000) 5.482 4.937 ( 3.943 0.000 0.000) 3.943 5.613 ( -10.723 0.000 0.000) 10.723 5.792 ( 0.010 0.000 0.000) 0.010 5.917 ( -3.253 0.000 0.000) 3.253 6.796 ( 5.262 0.000 0.000) 5.262 6.875 ( -0.589 0.000 0.000) 0.589 7.006 ( -7.755 0.000 0.000) 7.755 7.631 ( -13.335 0.000 0.000) 13.335 8.008 ( -7.156 0.000 0.000) 7.156 8.085 ( 1.346 0.000 0.000) 1.346 8.431 ( -7.114 0.000 0.000) 7.114 8.581 ( 2.273 0.000 0.000) 2.273 8.599 ( 21.183 0.000 0.000) 21.183 9.296 ( -9.424 0.000 0.000) 9.424 9.302 ( -13.594 0.000 0.000) 13.594 9.538 ( -5.970 0.000 0.000) 5.970 9.869 ( 1.669 0.000 0.000) 1.669 11.888 ( 3.589 0.000 0.000) 3.589 12.447 ( -7.622 0.000 0.000) 7.622 13.753 ( 3.538 0.000 0.000) 3.538 14.006 ( -0.939 0.000 0.000) 0.939 15.125 ( -8.856 0.000 0.000) 8.856 15.520 ( -10.353 0.000 0.000) 10.353 16.146 ( 5.497 0.000 0.000) 5.497 16.161 ( 10.774 0.000 0.000) 10.774 16.218 ( 6.061 0.000 0.000) 6.061 16.849 ( -1.851 0.000 0.000) 1.851 17.722 ( 3.235 0.000 0.000) 3.235 17.759 ( 6.856 0.000 0.000) 6.856 18.023 ( -3.400 0.000 0.000) 3.400 18.332 ( 1.716 0.000 0.000) 1.716 19.529 ( 3.173 0.000 0.000) 3.173 19.614 ( 2.525 0.000 0.000) 2.525 19.977 ( -2.766 0.000 0.000) 2.766 20.112 ( -1.473 0.000 0.000) 1.473 20.268 ( -1.962 0.000 0.000) 1.962 20.308 ( 1.789 0.000 0.000) 1.789 20.350 ( -1.475 0.000 0.000) 1.475 20.939 ( -4.198 0.000 0.000) 4.198 22.630 ( 4.276 0.000 0.000) 4.276 23.778 ( -9.646 0.000 0.000) 9.646 ======================= Grid point 3 (4/144) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 20.438 0.000 0.000) 20.438 1.311 ( 25.016 0.000 0.000) 25.016 1.939 ( 13.846 0.000 0.000) 13.846 3.215 ( 7.466 0.000 0.000) 7.466 3.241 ( 46.774 0.000 0.000) 46.774 4.076 ( -6.459 0.000 0.000) 6.459 4.167 ( -9.187 0.000 0.000) 9.187 5.048 ( 7.632 0.000 0.000) 7.632 5.372 ( -14.241 0.000 0.000) 14.241 5.820 ( -6.711 0.000 0.000) 6.711 5.937 ( 16.321 0.000 0.000) 16.321 6.865 ( -0.469 0.000 0.000) 0.469 6.909 ( -2.784 0.000 0.000) 2.784 6.912 ( 6.418 0.000 0.000) 6.418 7.391 ( -10.902 0.000 0.000) 10.902 7.825 ( -12.405 0.000 0.000) 12.405 8.103 ( 0.447 0.000 0.000) 0.447 8.296 ( -6.446 0.000 0.000) 6.446 8.604 ( 0.442 0.000 0.000) 0.442 8.937 ( 11.684 0.000 0.000) 11.684 9.047 ( -11.653 0.000 0.000) 11.653 9.077 ( -12.628 0.000 0.000) 12.628 9.443 ( -1.847 0.000 0.000) 1.847 9.878 ( -0.899 0.000 0.000) 0.899 11.961 ( 3.851 0.000 0.000) 3.851 12.306 ( -6.733 0.000 0.000) 6.733 13.820 ( 3.258 0.000 0.000) 3.258 13.985 ( -1.242 0.000 0.000) 1.242 15.000 ( -4.052 0.000 0.000) 4.052 15.322 ( -9.859 0.000 0.000) 9.859 16.272 ( 7.380 0.000 0.000) 7.380 16.318 ( 4.196 0.000 0.000) 4.196 16.322 ( 5.873 0.000 0.000) 5.873 16.798 ( -3.566 0.000 0.000) 3.566 17.776 ( 2.254 0.000 0.000) 2.254 17.919 ( 9.295 0.000 0.000) 9.295 17.954 ( -3.607 0.000 0.000) 3.607 18.354 ( 0.253 0.000 0.000) 0.253 19.606 ( 4.746 0.000 0.000) 4.746 19.670 ( 3.187 0.000 0.000) 3.187 19.921 ( -2.929 0.000 0.000) 2.929 20.062 ( -3.908 0.000 0.000) 3.908 20.238 ( -0.967 0.000 0.000) 0.967 20.318 ( -1.864 0.000 0.000) 1.864 20.361 ( 3.748 0.000 0.000) 3.748 20.841 ( -5.852 0.000 0.000) 5.852 22.738 ( 6.876 0.000 0.000) 6.876 23.566 ( -11.945 0.000 0.000) 11.945 ======================= Grid point 4 (5/144) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 17.116 0.000 0.000) 17.116 1.702 ( 11.923 0.000 0.000) 11.923 2.238 ( 19.437 0.000 0.000) 19.437 3.120 ( -15.942 0.000 0.000) 15.942 3.971 ( -3.820 0.000 0.000) 3.820 4.010 ( -5.995 0.000 0.000) 5.995 4.046 ( 36.077 0.000 0.000) 36.077 5.057 ( -18.515 0.000 0.000) 18.515 5.229 ( 10.854 0.000 0.000) 10.854 5.660 ( -9.732 0.000 0.000) 9.732 6.392 ( 28.264 0.000 0.000) 28.264 6.855 ( -0.660 0.000 0.000) 0.660 6.884 ( 0.157 0.000 0.000) 0.157 7.031 ( 5.562 0.000 0.000) 5.562 7.222 ( -6.523 0.000 0.000) 6.523 7.502 ( -21.265 0.000 0.000) 21.265 8.107 ( 0.283 0.000 0.000) 0.283 8.190 ( -4.429 0.000 0.000) 4.429 8.615 ( 1.173 0.000 0.000) 1.173 8.838 ( -11.163 0.000 0.000) 11.163 8.893 ( -3.623 0.000 0.000) 3.623 8.994 ( -3.832 0.000 0.000) 3.832 9.530 ( 9.211 0.000 0.000) 9.211 9.828 ( -4.310 0.000 0.000) 4.310 12.034 ( 3.694 0.000 0.000) 3.694 12.192 ( -5.045 0.000 0.000) 5.045 13.877 ( 2.646 0.000 0.000) 2.646 13.957 ( -1.588 0.000 0.000) 1.588 14.968 ( 0.685 0.000 0.000) 0.685 15.147 ( -7.966 0.000 0.000) 7.966 16.381 ( 2.332 0.000 0.000) 2.332 16.395 ( 1.992 0.000 0.000) 1.992 16.424 ( 8.149 0.000 0.000) 8.149 16.708 ( -5.734 0.000 0.000) 5.734 17.811 ( 1.539 0.000 0.000) 1.539 17.890 ( -2.914 0.000 0.000) 2.914 18.100 ( 8.917 0.000 0.000) 8.917 18.333 ( -2.643 0.000 0.000) 2.643 19.712 ( 6.093 0.000 0.000) 6.093 19.735 ( 3.435 0.000 0.000) 3.435 19.863 ( -3.102 0.000 0.000) 3.102 19.963 ( -6.057 0.000 0.000) 6.057 20.233 ( 0.401 0.000 0.000) 0.401 20.281 ( -1.820 0.000 0.000) 1.820 20.454 ( 5.826 0.000 0.000) 5.826 20.716 ( -6.897 0.000 0.000) 6.897 22.896 ( 9.383 0.000 0.000) 9.383 23.328 ( -12.360 0.000 0.000) 12.360 ======================= Grid point 5 (6/144) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -7.372 0.000 0.000) 7.372 1.730 ( 7.372 0.000 0.000) 7.372 2.695 ( -25.333 0.000 0.000) 25.333 2.695 ( 25.333 0.000 0.000) 25.333 3.943 ( -1.026 0.000 0.000) 1.026 3.943 ( 1.026 0.000 0.000) 1.026 4.637 ( -25.541 0.000 0.000) 25.541 4.637 ( 25.541 0.000 0.000) 25.541 5.451 ( -11.585 0.000 0.000) 11.585 5.451 ( 11.585 0.000 0.000) 11.585 6.820 ( -5.936 0.000 0.000) 5.936 6.820 ( 5.936 0.000 0.000) 5.936 7.033 ( -23.421 0.000 0.000) 23.421 7.033 ( 23.421 0.000 0.000) 23.421 7.124 ( -4.331 0.000 0.000) 4.331 7.124 ( 4.331 0.000 0.000) 4.331 8.127 ( -2.050 0.000 0.000) 2.050 8.127 ( 2.050 0.000 0.000) 2.050 8.674 ( -5.534 0.000 0.000) 5.534 8.674 ( 5.534 0.000 0.000) 5.534 8.902 ( -3.819 0.000 0.000) 3.819 8.902 ( 3.819 0.000 0.000) 3.819 9.708 ( -8.111 0.000 0.000) 8.111 9.708 ( 8.111 0.000 0.000) 8.111 12.107 ( -3.938 0.000 0.000) 3.938 12.107 ( 3.938 0.000 0.000) 3.938 13.922 ( -2.056 0.000 0.000) 2.056 13.922 ( 2.056 0.000 0.000) 2.056 15.022 ( -4.809 0.000 0.000) 4.809 15.022 ( 4.809 0.000 0.000) 4.809 16.408 ( -0.479 0.000 0.000) 0.479 16.408 ( 0.479 0.000 0.000) 0.479 16.578 ( -7.531 0.000 0.000) 7.531 16.578 ( 7.531 0.000 0.000) 7.531 17.843 ( -1.939 0.000 0.000) 1.939 17.843 ( 1.939 0.000 0.000) 1.939 18.248 ( -6.152 0.000 0.000) 6.152 18.248 ( 6.152 0.000 0.000) 6.152 19.801 ( -3.354 0.000 0.000) 3.354 19.801 ( 3.354 0.000 0.000) 3.354 19.837 ( -6.715 0.000 0.000) 6.715 19.837 ( 6.715 0.000 0.000) 6.715 20.250 ( -1.311 0.000 0.000) 1.311 20.250 ( 1.311 0.000 0.000) 1.311 20.580 ( -6.981 0.000 0.000) 6.981 20.580 ( 6.981 0.000 0.000) 6.981 23.097 ( -11.345 0.000 0.000) 11.345 23.097 ( 11.345 0.000 0.000) 11.345 ======================= Grid point 11 (7/144) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( 0.000 18.338 0.000) 18.338 0.542 ( 0.000 27.007 0.000) 27.007 0.794 ( 0.000 37.847 0.000) 37.847 1.637 ( 0.000 29.646 0.000) 29.646 2.029 ( 0.000 0.471 0.000) 0.471 4.344 ( 0.000 1.341 0.000) 1.341 4.459 ( 0.000 -7.459 0.000) 7.459 4.703 ( 0.000 3.006 0.000) 3.006 5.867 ( 0.000 0.118 0.000) 0.118 5.879 ( 0.000 -4.925 0.000) 4.925 5.895 ( 0.000 0.714 0.000) 0.714 6.601 ( 0.000 -8.030 0.000) 8.030 6.906 ( 0.000 1.682 0.000) 1.682 7.429 ( 0.000 0.065 0.000) 0.065 7.994 ( 0.000 -2.057 0.000) 2.057 7.999 ( 0.000 1.543 0.000) 1.543 8.186 ( 0.000 3.177 0.000) 3.177 8.432 ( 0.000 -2.616 0.000) 2.616 8.623 ( 0.000 1.926 0.000) 1.926 8.943 ( 0.000 -0.126 0.000) 0.126 9.392 ( 0.000 -6.615 0.000) 6.615 9.610 ( 0.000 -5.907 0.000) 5.907 9.692 ( 0.000 -0.076 0.000) 0.076 9.795 ( 0.000 4.648 0.000) 4.648 11.823 ( 0.000 1.622 0.000) 1.622 12.442 ( 0.000 0.048 0.000) 0.048 12.657 ( 0.000 1.725 0.000) 1.725 13.637 ( 0.000 -2.500 0.000) 2.500 15.563 ( 0.000 -0.489 0.000) 0.489 15.686 ( 0.000 0.407 0.000) 0.407 15.856 ( 0.000 1.000 0.000) 1.000 15.983 ( 0.000 0.572 0.000) 0.572 16.040 ( 0.000 0.549 0.000) 0.549 16.812 ( 0.000 -2.136 0.000) 2.136 16.885 ( 0.000 0.449 0.000) 0.449 17.598 ( 0.000 -3.360 0.000) 3.360 18.291 ( 0.000 0.688 0.000) 0.688 18.563 ( 0.000 4.431 0.000) 4.431 18.861 ( 0.000 2.283 0.000) 2.283 19.468 ( 0.000 -0.017 0.000) 0.017 19.554 ( 0.000 -0.649 0.000) 0.649 19.601 ( 0.000 -22.867 0.000) 22.867 20.243 ( 0.000 0.468 0.000) 0.468 20.275 ( 0.000 -0.550 0.000) 0.550 20.658 ( 0.000 23.570 0.000) 23.570 22.532 ( 0.000 -1.913 0.000) 1.913 22.787 ( 0.000 0.566 0.000) 0.566 23.910 ( 0.000 -6.641 0.000) 6.641 ======================= Grid point 12 (8/144) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 11.786 21.655 0.000) 24.655 0.738 ( 12.140 23.962 0.000) 26.862 1.290 ( 49.560 14.071 0.000) 51.519 1.721 ( 8.161 27.592 0.000) 28.774 2.309 ( 25.853 0.540 0.000) 25.859 4.312 ( -3.222 1.373 0.000) 3.503 4.510 ( 0.961 4.433 0.000) 4.536 4.650 ( -1.347 -10.743 0.000) 10.827 5.786 ( -6.210 0.017 0.000) 6.210 5.895 ( -0.493 -4.612 0.000) 4.639 5.908 ( -0.067 2.373 0.000) 2.374 6.625 ( 2.505 -8.192 0.000) 8.566 6.905 ( -0.048 1.973 0.000) 1.974 7.339 ( -12.760 4.841 0.000) 13.648 7.841 ( -10.982 -1.291 0.000) 11.057 7.981 ( -1.068 -1.826 0.000) 2.115 8.154 ( -3.372 3.464 0.000) 4.834 8.466 ( 2.064 3.506 0.000) 4.069 8.571 ( -5.128 1.756 0.000) 5.421 8.573 ( -0.547 14.172 0.000) 14.182 9.339 ( -5.627 -6.736 0.000) 8.777 9.581 ( -3.277 -5.229 0.000) 6.171 9.588 ( -8.498 2.393 0.000) 8.829 9.836 ( 2.227 1.829 0.000) 2.882 11.836 ( 2.350 1.003 0.000) 2.554 12.602 ( -5.266 2.041 0.000) 5.648 13.399 ( 38.989 -36.026 0.000) 53.085 13.665 ( 2.701 -2.461 0.000) 3.654 15.347 ( -12.051 0.875 0.000) 12.083 15.726 ( -9.401 1.134 0.000) 9.469 15.880 ( 8.331 -2.886 0.000) 8.817 16.089 ( 6.928 0.146 0.000) 6.930 16.095 ( 7.701 2.506 0.000) 8.099 16.878 ( -0.769 0.452 0.000) 0.892 17.234 ( 26.708 -18.915 0.000) 32.727 17.626 ( 2.685 -3.285 0.000) 4.243 18.309 ( 1.677 0.884 0.000) 1.896 18.323 ( -12.005 12.124 0.000) 17.062 19.282 ( 24.592 -26.272 0.000) 35.986 19.485 ( 1.840 -0.182 0.000) 1.849 19.569 ( 1.499 -0.658 0.000) 1.637 19.599 ( -0.163 -22.490 0.000) 22.491 20.226 ( -1.732 0.491 0.000) 1.800 20.267 ( -0.840 -0.628 0.000) 1.048 20.656 ( -0.086 23.434 0.000) 23.434 22.200 ( -37.294 34.420 0.000) 50.750 22.551 ( 1.973 -1.913 0.000) 2.748 23.861 ( -5.106 -6.287 0.000) 8.099 ======================= Grid point 13 (9/144) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 20.068 13.345 0.000) 24.100 0.988 ( 15.025 21.680 0.000) 26.377 1.919 ( 11.246 23.125 0.000) 25.714 2.296 ( 51.235 4.109 0.000) 51.400 2.862 ( 26.849 0.275 0.000) 26.850 4.223 ( -5.761 1.469 0.000) 5.945 4.435 ( -6.495 10.019 0.000) 11.940 4.724 ( 7.416 -15.292 0.000) 16.996 5.632 ( -9.684 1.980 0.000) 9.884 5.856 ( -3.481 -5.615 0.000) 6.607 5.907 ( 1.528 6.746 0.000) 6.917 6.693 ( 4.332 -8.578 0.000) 9.610 6.909 ( 0.573 2.660 0.000) 2.721 7.079 ( -10.869 5.886 0.000) 12.360 7.604 ( -13.151 -2.401 0.000) 13.369 8.001 ( 2.092 -5.397 0.000) 5.788 8.054 ( -7.138 3.834 0.000) 8.103 8.443 ( -7.567 1.168 0.000) 7.656 8.555 ( 3.614 -0.979 0.000) 3.744 8.741 ( 14.210 9.151 0.000) 16.902 9.176 ( -10.701 -6.346 0.000) 12.441 9.394 ( -11.340 3.739 0.000) 11.940 9.494 ( -5.250 -4.147 0.000) 6.691 9.862 ( 0.460 -0.673 0.000) 0.815 11.901 ( 4.060 1.486 0.000) 4.323 12.477 ( -7.087 2.883 0.000) 7.651 13.728 ( 3.550 -2.420 0.000) 4.297 13.793 ( 9.037 -17.719 0.000) 19.891 15.145 ( -8.623 1.735 0.000) 8.796 15.532 ( -10.332 1.226 0.000) 10.404 16.002 ( 5.742 -7.222 0.000) 9.227 16.211 ( 5.451 -0.816 0.000) 5.512 16.290 ( 10.395 5.843 0.000) 11.925 16.854 ( -1.668 0.637 0.000) 1.785 17.621 ( 14.777 -10.405 0.000) 18.073 17.689 ( 3.435 -3.014 0.000) 4.570 18.144 ( -7.144 8.998 0.000) 11.489 18.347 ( 1.938 1.271 0.000) 2.318 19.525 ( 3.552 -1.259 0.000) 3.769 19.598 ( 0.220 -21.437 0.000) 21.438 19.608 ( 2.414 -0.671 0.000) 2.505 19.644 ( 12.041 -32.137 0.000) 34.318 20.175 ( -3.528 0.508 0.000) 3.565 20.239 ( -2.107 -0.835 0.000) 2.266 20.664 ( 1.212 22.984 0.000) 23.016 21.654 ( -20.413 35.283 0.000) 40.763 22.610 ( 4.242 -1.942 0.000) 4.665 23.720 ( -9.218 -5.570 0.000) 10.770 ======================= Grid point 14 (10/144) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 18.199 17.677 0.000) 25.370 1.411 ( 24.255 8.302 0.000) 25.636 2.123 ( 9.258 17.566 0.000) 19.857 3.155 ( 18.985 -5.718 0.000) 19.828 3.252 ( 28.139 1.622 0.000) 28.185 4.101 ( -6.399 1.630 0.000) 6.604 4.317 ( -4.054 13.144 0.000) 13.755 4.916 ( 12.122 -9.929 0.000) 15.670 5.413 ( -12.935 4.190 0.000) 13.596 5.761 ( -6.370 -5.551 0.000) 8.449 6.043 ( 14.093 7.410 0.000) 15.922 6.779 ( 4.039 -7.885 0.000) 8.859 6.934 ( 2.217 2.370 0.000) 3.245 6.936 ( -4.494 2.537 0.000) 5.160 7.363 ( -11.081 -2.524 0.000) 11.365 7.863 ( -13.191 3.131 0.000) 13.557 8.036 ( 1.378 -5.178 0.000) 5.359 8.298 ( -6.992 0.303 0.000) 6.998 8.592 ( 0.786 -0.938 0.000) 1.224 8.960 ( -10.613 -4.818 0.000) 11.656 8.992 ( 8.586 4.018 0.000) 9.480 9.158 ( -12.488 4.169 0.000) 13.166 9.418 ( -0.523 -2.301 0.000) 2.359 9.853 ( -1.514 -2.399 0.000) 2.837 11.985 ( 4.441 2.459 0.000) 5.077 12.345 ( -6.290 3.836 0.000) 7.367 13.795 ( 3.186 -2.484 0.000) 4.039 13.887 ( 2.163 -8.859 0.000) 9.120 15.021 ( -4.136 1.936 0.000) 4.567 15.335 ( -9.835 1.271 0.000) 9.917 16.118 ( 6.244 -8.736 0.000) 10.738 16.296 ( 3.188 -2.339 0.000) 3.954 16.461 ( 7.173 7.378 0.000) 10.290 16.811 ( -2.867 1.449 0.000) 3.212 17.749 ( 2.667 -2.441 0.000) 3.615 17.852 ( 8.833 -4.509 0.000) 9.918 18.041 ( -2.579 6.251 0.000) 6.763 18.371 ( 0.325 1.521 0.000) 1.555 19.606 ( 4.833 -0.095 0.000) 4.834 19.610 ( 1.016 -19.870 0.000) 19.895 19.653 ( 2.005 -3.406 0.000) 3.952 19.811 ( 6.131 -26.879 0.000) 27.569 20.090 ( -5.273 0.434 0.000) 5.291 20.184 ( -3.601 -1.586 0.000) 3.935 20.711 ( 3.774 22.465 0.000) 22.780 21.344 ( -12.887 29.110 0.000) 31.834 22.716 ( 6.756 -2.078 0.000) 7.068 23.517 ( -11.447 -4.710 0.000) 12.378 ======================= Grid point 15 (11/144) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 16.635 15.889 0.000) 23.004 1.844 ( 16.553 10.804 0.000) 19.766 2.292 ( 10.956 7.005 0.000) 13.004 3.060 ( -16.428 -5.796 0.000) 17.420 3.812 ( 16.072 -6.456 0.000) 17.321 3.995 ( -4.192 1.586 0.000) 4.482 4.385 ( 14.155 20.005 0.000) 24.506 5.130 ( -16.478 7.175 0.000) 17.973 5.165 ( 12.981 -5.603 0.000) 14.138 5.610 ( -9.219 -4.719 0.000) 10.357 6.451 ( 26.438 4.490 0.000) 26.817 6.835 ( 1.725 -3.601 0.000) 3.993 6.883 ( -1.364 0.109 0.000) 1.368 6.993 ( 3.435 -1.401 0.000) 3.710 7.192 ( -6.506 -2.679 0.000) 7.036 7.527 ( -21.488 1.936 0.000) 21.575 8.059 ( 1.241 -3.938 0.000) 4.129 8.179 ( -5.287 -0.886 0.000) 5.361 8.606 ( 1.214 -0.734 0.000) 1.418 8.787 ( -7.579 -2.997 0.000) 8.150 8.957 ( -6.561 4.086 0.000) 7.729 9.014 ( -4.114 1.428 0.000) 4.355 9.519 ( 8.943 -1.102 0.000) 9.010 9.799 ( -4.204 -2.887 0.000) 5.100 12.069 ( 4.225 3.485 0.000) 5.477 12.237 ( -4.948 4.367 0.000) 6.599 13.849 ( 2.405 -2.764 0.000) 3.664 13.903 ( -0.187 -5.137 0.000) 5.140 14.986 ( 0.523 1.761 0.000) 1.837 15.161 ( -7.898 1.354 0.000) 8.013 16.234 ( 5.339 -9.015 0.000) 10.478 16.332 ( 0.524 -4.645 0.000) 4.674 16.574 ( 4.823 7.819 0.000) 9.187 16.744 ( -4.012 3.390 0.000) 5.252 17.794 ( 2.123 -1.547 0.000) 2.627 17.891 ( -2.566 -0.191 0.000) 2.573 18.119 ( 8.184 2.002 0.000) 8.425 18.350 ( -2.692 1.542 0.000) 3.102 19.636 ( 1.525 -17.713 0.000) 17.779 19.674 ( 0.373 -8.614 0.000) 8.622 19.715 ( 6.077 -0.304 0.000) 6.085 19.913 ( 4.915 -17.353 0.000) 18.036 19.974 ( -6.561 0.293 0.000) 6.567 20.103 ( -4.645 -3.983 0.000) 6.119 20.810 ( 6.327 22.467 0.000) 23.341 21.127 ( -9.947 25.218 0.000) 27.109 22.871 ( 9.131 -2.414 0.000) 9.445 23.289 ( -11.875 -3.805 0.000) 12.470 ======================= Grid point 16 (12/144) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -7.130 16.038 0.000) 17.551 1.911 ( 7.130 16.038 0.000) 17.551 2.650 ( -19.200 -3.906 0.000) 19.594 2.650 ( 19.200 -3.906 0.000) 19.594 3.939 ( -0.630 -0.404 0.000) 0.749 3.939 ( 0.630 -0.404 0.000) 0.749 4.769 ( -18.913 12.238 0.000) 22.527 4.769 ( 18.913 12.238 0.000) 22.527 5.406 ( -8.960 -4.208 0.000) 9.899 5.406 ( 8.960 -4.208 0.000) 9.899 6.850 ( -0.052 1.540 0.000) 1.541 6.850 ( 0.052 1.540 0.000) 1.541 6.974 ( -16.447 -3.900 0.000) 16.904 6.974 ( 16.447 -3.900 0.000) 16.904 7.133 ( -3.358 0.503 0.000) 3.396 7.133 ( 3.358 0.503 0.000) 3.396 8.098 ( -0.925 -2.429 0.000) 2.600 8.098 ( 0.925 -2.429 0.000) 2.600 8.661 ( -2.273 -1.101 0.000) 2.525 8.661 ( 2.273 -1.101 0.000) 2.525 8.931 ( -0.423 2.357 0.000) 2.394 8.931 ( 0.423 2.357 0.000) 2.394 9.686 ( -2.546 -2.200 0.000) 3.365 9.686 ( 2.546 -2.200 0.000) 3.365 12.150 ( -1.298 4.218 0.000) 4.413 12.150 ( 1.298 4.218 0.000) 4.413 13.887 ( -0.219 -3.485 0.000) 3.492 13.887 ( 0.219 -3.485 0.000) 3.492 15.038 ( -2.763 1.522 0.000) 3.155 15.038 ( 2.763 1.522 0.000) 3.155 16.313 ( -0.190 -7.450 0.000) 7.452 16.313 ( 0.190 -7.450 0.000) 7.452 16.661 ( -0.623 6.193 0.000) 6.224 16.661 ( 0.623 6.193 0.000) 6.224 17.838 ( -0.638 -0.517 0.000) 0.821 17.838 ( 0.638 -0.517 0.000) 0.821 18.264 ( -5.520 1.485 0.000) 5.716 18.264 ( 5.520 1.485 0.000) 5.716 19.664 ( -1.173 -14.313 0.000) 14.361 19.664 ( 1.173 -14.313 0.000) 14.361 19.842 ( -6.375 0.137 0.000) 6.377 19.842 ( 6.375 0.137 0.000) 6.377 20.009 ( -4.515 -9.026 0.000) 10.093 20.009 ( 4.515 -9.026 0.000) 10.093 20.952 ( -8.061 23.267 0.000) 24.624 20.952 ( 8.061 23.267 0.000) 24.624 23.066 ( -10.434 -3.002 0.000) 10.857 23.066 ( 10.434 -3.002 0.000) 10.857 ======================= Grid point 22 (13/144) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 0.000 17.463 0.000) 17.463 1.122 ( 0.000 29.383 0.000) 29.383 1.545 ( 0.000 34.709 0.000) 34.709 2.030 ( 0.000 -0.637 0.000) 0.637 2.348 ( 0.000 36.876 0.000) 36.876 4.253 ( 0.000 -12.046 0.000) 12.046 4.318 ( 0.000 -5.162 0.000) 5.162 4.799 ( 0.000 6.379 0.000) 6.379 5.724 ( 0.000 -10.304 0.000) 10.304 5.888 ( 0.000 1.910 0.000) 1.910 5.890 ( 0.000 -1.683 0.000) 1.683 6.395 ( 0.000 -11.004 0.000) 11.004 6.987 ( 0.000 7.006 0.000) 7.006 7.439 ( 0.000 1.093 0.000) 1.093 7.935 ( 0.000 -3.555 0.000) 3.555 8.043 ( 0.000 2.616 0.000) 2.616 8.256 ( 0.000 3.168 0.000) 3.168 8.362 ( 0.000 -3.899 0.000) 3.899 8.668 ( 0.000 1.985 0.000) 1.985 8.935 ( 0.000 -0.736 0.000) 0.736 9.238 ( 0.000 -7.980 0.000) 7.980 9.444 ( 0.000 -9.702 0.000) 9.702 9.694 ( 0.000 0.456 0.000) 0.456 9.885 ( 0.000 3.660 0.000) 3.660 11.874 ( 0.000 3.341 0.000) 3.341 12.435 ( 0.000 -0.944 0.000) 0.944 12.711 ( 0.000 3.552 0.000) 3.552 13.560 ( 0.000 -4.914 0.000) 4.914 15.551 ( 0.000 -0.566 0.000) 0.566 15.688 ( 0.000 -0.444 0.000) 0.444 15.885 ( 0.000 1.739 0.000) 1.739 15.997 ( 0.000 0.736 0.000) 0.736 16.067 ( 0.000 2.329 0.000) 2.329 16.748 ( 0.000 -4.081 0.000) 4.081 16.901 ( 0.000 1.203 0.000) 1.203 17.500 ( 0.000 -5.972 0.000) 5.972 18.312 ( 0.000 1.403 0.000) 1.403 18.688 ( 0.000 7.355 0.000) 7.355 18.927 ( 0.000 3.867 0.000) 3.867 19.173 ( 0.000 -18.312 0.000) 18.312 19.467 ( 0.000 -0.112 0.000) 0.112 19.535 ( 0.000 -1.239 0.000) 1.239 20.244 ( 0.000 -0.187 0.000) 0.187 20.260 ( 0.000 -0.857 0.000) 0.857 21.124 ( 0.000 21.040 0.000) 21.040 22.473 ( 0.000 -3.775 0.000) 3.775 22.806 ( 0.000 1.353 0.000) 1.353 23.722 ( 0.000 -11.040 0.000) 11.040 ======================= Grid point 23 (14/144) ======================= q-point: ( 0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 23.709 15.194 0.000) 28.159 1.170 ( 5.185 27.192 0.000) 27.682 1.741 ( 24.239 27.245 0.000) 36.467 2.312 ( 25.818 -0.521 0.000) 25.823 2.397 ( 4.721 35.458 0.000) 35.771 4.289 ( 3.226 -14.458 0.000) 14.814 4.289 ( -2.958 -4.892 0.000) 5.717 4.761 ( -2.914 9.886 0.000) 10.306 5.702 ( -2.208 -9.812 0.000) 10.057 5.853 ( -3.593 2.017 0.000) 4.121 5.916 ( 2.377 -1.525 0.000) 2.824 6.417 ( 2.278 -11.112 0.000) 11.343 6.990 ( 0.285 7.016 0.000) 7.022 7.381 ( -6.869 0.601 0.000) 6.895 7.825 ( -13.081 -1.331 0.000) 13.148 7.965 ( -2.896 0.654 0.000) 2.969 8.229 ( -2.883 3.366 0.000) 4.432 8.447 ( 5.642 -2.075 0.000) 6.011 8.615 ( -5.358 2.078 0.000) 5.747 8.811 ( -3.625 6.589 0.000) 7.520 9.187 ( -5.287 -7.748 0.000) 9.380 9.430 ( -1.958 -9.057 0.000) 9.266 9.621 ( -6.868 1.055 0.000) 6.949 9.878 ( -1.101 1.850 0.000) 2.152 11.883 ( 2.311 3.600 0.000) 4.278 12.666 ( -4.272 4.199 0.000) 5.990 12.889 ( 33.022 -15.759 0.000) 36.590 13.589 ( 2.727 -4.933 0.000) 5.636 15.371 ( -10.716 1.431 0.000) 10.812 15.760 ( -9.101 2.157 0.000) 9.353 15.805 ( 3.798 -4.195 0.000) 5.659 16.088 ( 5.587 -0.395 0.000) 5.601 16.160 ( 10.510 3.862 0.000) 11.197 16.895 ( -0.570 1.374 0.000) 1.488 16.974 ( 20.178 -8.872 0.000) 22.043 17.532 ( 3.040 -5.704 0.000) 6.464 18.334 ( 2.056 1.570 0.000) 2.587 18.546 ( -10.462 10.162 0.000) 14.585 19.044 ( 8.158 -3.079 0.000) 8.720 19.178 ( 0.582 -17.931 0.000) 17.940 19.482 ( 1.612 -0.175 0.000) 1.622 19.551 ( 1.586 -1.117 0.000) 1.940 20.225 ( -1.810 -0.320 0.000) 1.838 20.252 ( -0.902 -0.811 0.000) 1.213 21.121 ( -0.109 21.147 0.000) 21.148 22.492 ( 1.952 -3.792 0.000) 4.265 22.587 ( -19.254 9.883 0.000) 21.643 23.681 ( -4.342 -10.713 0.000) 11.560 ======================= Grid point 24 (15/144) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 11.849 21.065 0.000) 24.169 1.453 ( 13.227 21.307 0.000) 25.079 2.439 ( 40.631 9.707 0.000) 41.774 2.509 ( 6.166 31.825 0.000) 32.417 2.856 ( 26.145 -0.737 0.000) 26.155 4.207 ( -5.249 -4.096 0.000) 6.658 4.375 ( 6.535 -13.941 0.000) 15.397 4.728 ( 0.223 13.706 0.000) 13.708 5.637 ( -4.617 -7.094 0.000) 8.464 5.756 ( -6.078 1.410 0.000) 6.239 5.982 ( 4.971 0.409 0.000) 4.988 6.480 ( 4.212 -11.305 0.000) 12.065 7.000 ( 0.797 6.893 0.000) 6.939 7.184 ( -11.498 3.309 0.000) 11.965 7.552 ( -13.945 -2.238 0.000) 14.123 7.932 ( -0.282 -0.849 0.000) 0.894 8.136 ( -7.197 3.558 0.000) 8.028 8.476 ( -8.413 1.898 0.000) 8.624 8.534 ( 3.195 -1.173 0.000) 3.404 8.894 ( 9.329 4.909 0.000) 10.542 9.041 ( -9.304 -6.776 0.000) 11.510 9.374 ( -3.173 -7.147 0.000) 7.819 9.451 ( -10.361 1.895 0.000) 10.533 9.839 ( -2.763 -1.654 0.000) 3.220 11.960 ( 5.230 4.458 0.000) 6.872 12.567 ( -5.572 5.795 0.000) 8.039 13.403 ( 18.870 -18.284 0.000) 26.276 13.652 ( 3.479 -5.039 0.000) 6.123 15.190 ( -7.823 2.600 0.000) 8.244 15.571 ( -10.190 2.501 0.000) 10.492 15.856 ( 2.958 -6.961 0.000) 7.563 16.177 ( 3.336 -2.740 0.000) 4.317 16.401 ( 12.420 5.162 0.000) 13.450 16.882 ( -0.806 2.176 0.000) 2.320 17.393 ( 20.673 -11.081 0.000) 23.456 17.604 ( 4.104 -5.052 0.000) 6.508 18.349 ( -9.411 10.549 0.000) 14.136 18.380 ( 2.342 1.923 0.000) 3.030 19.189 ( 6.601 -12.009 0.000) 13.704 19.197 ( 1.352 -17.038 0.000) 17.092 19.529 ( 3.158 -0.262 0.000) 3.169 19.593 ( 2.701 -0.937 0.000) 2.859 20.174 ( -3.494 -0.350 0.000) 3.511 20.221 ( -2.424 -1.000 0.000) 2.622 21.128 ( 1.035 21.352 0.000) 21.377 22.193 ( -19.481 18.531 0.000) 26.887 22.550 ( 4.124 -3.884 0.000) 5.665 23.558 ( -8.088 -9.726 0.000) 12.649 ======================= Grid point 25 (16/144) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 18.389 13.161 0.000) 22.613 1.728 ( 15.622 20.319 0.000) 25.630 2.603 ( 2.693 26.775 0.000) 26.911 3.006 ( 8.604 -8.210 0.000) 11.893 3.317 ( 27.149 5.124 0.000) 27.628 4.098 ( -5.624 -2.693 0.000) 6.236 4.570 ( 12.801 2.646 0.000) 13.072 4.798 ( 7.941 6.485 0.000) 10.253 5.517 ( -7.920 0.801 0.000) 7.961 5.630 ( -6.864 -2.345 0.000) 7.254 6.149 ( 13.364 1.946 0.000) 13.505 6.575 ( 5.331 -11.166 0.000) 12.374 6.998 ( -7.242 2.877 0.000) 7.792 7.019 ( 1.073 6.269 0.000) 6.361 7.303 ( -11.286 -2.825 0.000) 11.634 7.928 ( -14.785 2.736 0.000) 15.036 7.947 ( 1.490 -2.420 0.000) 2.842 8.311 ( -8.216 1.017 0.000) 8.279 8.571 ( 0.976 -1.087 0.000) 1.461 8.860 ( -8.487 -4.919 0.000) 9.809 9.048 ( 3.659 0.580 0.000) 3.704 9.232 ( -11.780 2.861 0.000) 12.123 9.353 ( 2.828 -3.860 0.000) 4.785 9.780 ( -3.264 -4.615 0.000) 5.653 12.071 ( 5.943 6.046 0.000) 8.477 12.463 ( -5.060 7.484 0.000) 9.034 13.652 ( 8.112 -13.254 0.000) 15.539 13.715 ( 2.901 -5.319 0.000) 6.059 15.074 ( -4.007 3.208 0.000) 5.133 15.376 ( -9.719 2.707 0.000) 10.089 15.933 ( 4.858 -9.163 0.000) 10.371 16.214 ( 0.453 -5.701 0.000) 5.719 16.607 ( 8.675 6.883 0.000) 11.074 16.865 ( -0.982 3.851 0.000) 3.974 17.681 ( 3.682 -4.142 0.000) 5.542 17.725 ( 12.899 -8.077 0.000) 15.219 18.201 ( -5.096 9.133 0.000) 10.459 18.411 ( 0.518 2.230 0.000) 2.290 19.230 ( 2.058 -16.230 0.000) 16.360 19.293 ( 3.862 -17.234 0.000) 17.661 19.604 ( 4.660 -0.230 0.000) 4.666 19.661 ( 4.564 -1.121 0.000) 4.700 20.090 ( -5.223 -0.268 0.000) 5.230 20.155 ( -4.439 -1.395 0.000) 4.653 21.171 ( 3.558 21.425 0.000) 21.719 21.861 ( -14.889 20.898 0.000) 25.659 22.652 ( 6.415 -4.157 0.000) 7.644 23.379 ( -10.160 -8.404 0.000) 13.185 ======================= Grid point 26 (17/144) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 21.283 6.750 0.000) 22.328 2.044 ( 16.224 19.100 0.000) 25.061 2.589 ( -4.161 20.043 0.000) 20.470 2.899 ( -14.531 -8.914 0.000) 17.047 3.760 ( 15.320 1.174 0.000) 15.365 4.005 ( -3.860 -0.786 0.000) 3.939 4.827 ( 13.974 21.510 0.000) 25.651 5.030 ( 14.143 -6.510 0.000) 15.570 5.334 ( -10.857 9.789 0.000) 14.619 5.485 ( -8.489 -5.217 0.000) 9.964 6.506 ( 22.123 -0.592 0.000) 22.131 6.678 ( 5.143 -10.214 0.000) 11.436 6.901 ( -2.840 1.794 0.000) 3.359 7.034 ( 0.282 4.773 0.000) 4.782 7.135 ( -5.578 -2.142 0.000) 5.975 7.566 ( -22.081 1.682 0.000) 22.145 7.984 ( 2.391 -2.499 0.000) 3.459 8.163 ( -6.987 -0.361 0.000) 6.996 8.587 ( 1.144 -1.120 0.000) 1.601 8.726 ( -5.678 -3.150 0.000) 6.494 9.029 ( -3.397 -0.277 0.000) 3.409 9.036 ( -7.193 3.352 0.000) 7.936 9.476 ( 7.834 -3.276 0.000) 8.491 9.710 ( -4.118 -5.656 0.000) 6.996 12.182 ( 5.475 7.579 0.000) 9.350 12.370 ( -4.571 8.488 0.000) 9.641 13.752 ( 2.851 -9.357 0.000) 9.782 13.760 ( 1.712 -5.918 0.000) 6.161 15.038 ( 0.318 3.294 0.000) 3.309 15.205 ( -7.719 2.902 0.000) 8.246 16.034 ( 5.320 -10.275 0.000) 11.570 16.195 ( -2.274 -8.436 0.000) 8.737 16.736 ( 4.849 7.979 0.000) 9.336 16.842 ( -1.437 5.973 0.000) 6.143 17.748 ( 3.352 -3.058 0.000) 4.537 17.855 ( 0.504 -4.001 0.000) 4.033 18.194 ( 4.552 5.586 0.000) 7.206 18.392 ( -2.620 2.475 0.000) 3.605 19.273 ( 2.297 -16.013 0.000) 16.177 19.331 ( 0.248 -17.618 0.000) 17.619 19.711 ( 6.345 -0.245 0.000) 6.349 19.772 ( 6.795 -2.098 0.000) 7.112 19.975 ( -6.567 -0.185 0.000) 6.569 20.049 ( -6.402 -1.964 0.000) 6.697 21.267 ( 6.395 21.312 0.000) 22.251 21.610 ( -11.358 21.138 0.000) 23.996 22.797 ( 8.455 -4.744 0.000) 9.695 23.176 ( -10.623 -6.992 0.000) 12.718 ======================= Grid point 27 (18/144) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -2.368 17.155 0.000) 17.318 2.289 ( 2.368 17.155 0.000) 17.318 2.578 ( -8.369 -1.005 0.000) 8.429 2.578 ( 8.369 -1.005 0.000) 8.429 3.933 ( -1.003 0.320 0.000) 1.053 3.933 ( 1.003 0.320 0.000) 1.053 5.099 ( -11.411 18.057 0.000) 21.360 5.099 ( 11.411 18.057 0.000) 21.360 5.288 ( -7.234 -6.624 0.000) 9.809 5.288 ( 7.234 -6.624 0.000) 9.809 6.755 ( -0.052 -9.219 0.000) 9.219 6.755 ( 0.052 -9.219 0.000) 9.219 7.002 ( -4.807 4.986 0.000) 6.926 7.002 ( 4.807 4.986 0.000) 6.926 7.144 ( -11.496 0.737 0.000) 11.519 7.144 ( 11.496 0.737 0.000) 11.519 8.049 ( -1.469 -1.723 0.000) 2.264 8.049 ( 1.469 -1.723 0.000) 2.264 8.632 ( -0.976 -1.711 0.000) 1.970 8.632 ( 0.976 -1.711 0.000) 1.970 8.978 ( -0.021 1.879 0.000) 1.879 8.978 ( 0.021 1.879 0.000) 1.879 9.613 ( -0.948 -4.914 0.000) 5.005 9.613 ( 0.948 -4.914 0.000) 5.005 12.281 ( -0.950 8.498 0.000) 8.551 12.281 ( 0.950 8.498 0.000) 8.551 13.778 ( -0.000 -7.110 0.000) 7.110 13.778 ( 0.000 -7.110 0.000) 7.110 15.085 ( -1.557 3.122 0.000) 3.489 15.085 ( 1.557 3.122 0.000) 3.489 16.130 ( -0.481 -10.074 0.000) 10.085 16.130 ( 0.481 -10.074 0.000) 10.085 16.805 ( -0.206 7.624 0.000) 7.626 16.805 ( 0.206 7.624 0.000) 7.626 17.813 ( -0.506 -2.305 0.000) 2.360 17.813 ( 0.506 -2.305 0.000) 2.360 18.309 ( -5.680 3.038 0.000) 6.441 18.309 ( 5.680 3.038 0.000) 6.441 19.314 ( -0.562 -16.545 0.000) 16.554 19.314 ( 0.562 -16.545 0.000) 16.554 19.842 ( -6.120 -0.182 0.000) 6.123 19.842 ( 6.120 -0.182 0.000) 6.123 19.913 ( -6.619 -2.458 0.000) 7.061 19.913 ( 6.619 -2.458 0.000) 7.061 21.415 ( -8.844 21.171 0.000) 22.944 21.415 ( 8.844 21.171 0.000) 22.944 22.976 ( -8.999 -5.711 0.000) 10.659 22.976 ( 8.999 -5.711 0.000) 10.659 ======================= Grid point 33 (19/144) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 0.000 15.958 0.000) 15.958 1.751 ( 0.000 31.413 0.000) 31.413 1.973 ( 0.000 -3.168 0.000) 3.168 2.231 ( 0.000 29.634 0.000) 29.634 3.090 ( 0.000 33.696 0.000) 33.696 3.976 ( 0.000 -14.585 0.000) 14.585 4.114 ( 0.000 -13.812 0.000) 13.812 4.965 ( 0.000 9.624 0.000) 9.624 5.446 ( 0.000 -16.754 0.000) 16.754 5.813 ( 0.000 -5.881 0.000) 5.881 5.927 ( 0.000 1.354 0.000) 1.354 6.183 ( 0.000 -8.964 0.000) 8.964 7.218 ( 0.000 15.361 0.000) 15.361 7.478 ( 0.000 2.716 0.000) 2.716 7.851 ( 0.000 -4.565 0.000) 4.565 8.102 ( 0.000 2.954 0.000) 2.954 8.284 ( 0.000 -3.341 0.000) 3.341 8.299 ( 0.000 0.347 0.000) 0.347 8.689 ( 0.000 0.025 0.000) 0.025 8.914 ( 0.000 -1.169 0.000) 1.169 9.071 ( 0.000 -8.055 0.000) 8.055 9.232 ( 0.000 -10.320 0.000) 10.320 9.719 ( 0.000 2.176 0.000) 2.176 9.935 ( 0.000 1.064 0.000) 1.064 11.960 ( 0.000 4.962 0.000) 4.962 12.396 ( 0.000 -2.889 0.000) 2.889 12.805 ( 0.000 5.515 0.000) 5.515 13.436 ( 0.000 -6.996 0.000) 6.996 15.544 ( 0.000 -0.068 0.000) 0.068 15.664 ( 0.000 -1.786 0.000) 1.786 15.924 ( 0.000 2.000 0.000) 2.000 16.009 ( 0.000 0.360 0.000) 0.360 16.139 ( 0.000 4.625 0.000) 4.625 16.647 ( 0.000 -5.590 0.000) 5.590 16.938 ( 0.000 2.375 0.000) 2.375 17.363 ( 0.000 -7.073 0.000) 7.073 18.350 ( 0.000 2.248 0.000) 2.248 18.849 ( 0.000 7.877 0.000) 7.877 18.852 ( 0.000 -12.856 0.000) 12.856 19.011 ( 0.000 4.030 0.000) 4.030 19.463 ( 0.000 -0.300 0.000) 0.300 19.505 ( 0.000 -1.626 0.000) 1.626 20.238 ( 0.000 -0.377 0.000) 0.377 20.242 ( 0.000 -0.794 0.000) 0.794 21.516 ( 0.000 16.960 0.000) 16.960 22.376 ( 0.000 -5.615 0.000) 5.615 22.847 ( 0.000 2.659 0.000) 2.659 23.477 ( 0.000 -12.199 0.000) 12.199 ======================= Grid point 34 (20/144) ======================= q-point: ( 0.10 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 25.517 13.398 0.000) 28.821 1.766 ( 1.718 30.251 0.000) 30.300 2.207 ( 18.865 3.609 0.000) 19.207 2.380 ( 18.749 19.931 0.000) 27.364 3.111 ( 1.961 32.229 0.000) 32.288 3.991 ( 2.066 -14.600 0.000) 14.746 4.096 ( -1.795 -12.864 0.000) 12.988 4.977 ( 1.327 11.113 0.000) 11.192 5.430 ( -1.662 -16.413 0.000) 16.497 5.842 ( 2.988 -5.722 0.000) 6.455 5.904 ( -2.324 2.048 0.000) 3.098 6.201 ( 1.893 -9.258 0.000) 9.449 7.217 ( -0.080 15.071 0.000) 15.071 7.400 ( -7.369 1.659 0.000) 7.553 7.765 ( -10.520 -4.246 0.000) 11.344 8.014 ( -3.496 3.800 0.000) 5.164 8.274 ( -2.702 0.404 0.000) 2.732 8.399 ( 7.039 -2.563 0.000) 7.492 8.641 ( -4.809 0.483 0.000) 4.833 8.880 ( -0.685 1.153 0.000) 1.341 9.025 ( -4.703 -7.812 0.000) 9.118 9.230 ( -0.503 -9.753 0.000) 9.766 9.648 ( -6.797 1.937 0.000) 7.068 9.898 ( -3.950 -0.175 0.000) 3.954 11.983 ( 3.295 6.080 0.000) 6.916 12.647 ( 21.300 -9.366 0.000) 23.268 12.776 ( -2.701 6.410 0.000) 6.956 13.463 ( 2.521 -7.195 0.000) 7.624 15.407 ( -8.906 2.084 0.000) 9.146 15.712 ( 0.788 -4.727 0.000) 4.792 15.813 ( -8.316 2.959 0.000) 8.827 16.068 ( 2.909 -1.669 0.000) 3.354 16.254 ( 11.299 5.237 0.000) 12.454 16.812 ( 15.520 -7.374 0.000) 17.183 16.939 ( 0.210 2.905 0.000) 2.913 17.400 ( 3.590 -6.829 0.000) 7.715 18.374 ( 2.294 2.327 0.000) 3.268 18.747 ( -8.510 9.227 0.000) 12.552 18.866 ( 1.390 -12.438 0.000) 12.516 19.039 ( 1.352 1.272 0.000) 1.857 19.476 ( 1.535 -0.363 0.000) 1.577 19.525 ( 1.881 -1.355 0.000) 2.319 20.217 ( -1.876 -0.452 0.000) 1.929 20.235 ( -1.028 -0.813 0.000) 1.311 21.517 ( 0.248 17.197 0.000) 17.199 22.394 ( 1.865 -5.679 0.000) 5.978 22.735 ( -10.580 5.788 0.000) 12.060 23.441 ( -3.747 -12.043 0.000) 12.612 ======================= Grid point 35 (21/144) ======================= q-point: ( 0.20 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 4.956 26.415 0.000) 26.876 1.829 ( 15.542 15.343 0.000) 21.840 2.610 ( 20.828 2.114 0.000) 20.935 2.906 ( 30.691 9.703 0.000) 32.188 3.147 ( 1.073 27.708 0.000) 27.729 4.050 ( -2.599 -9.574 0.000) 9.921 4.106 ( 11.565 -12.315 0.000) 16.894 5.021 ( 3.335 14.206 0.000) 14.593 5.385 ( -2.918 -15.510 0.000) 15.782 5.843 ( -3.856 4.273 0.000) 5.756 5.932 ( 6.621 -5.023 0.000) 8.310 6.256 ( 3.804 -9.943 0.000) 10.646 7.215 ( -0.185 14.062 0.000) 14.064 7.222 ( -10.223 1.282 0.000) 10.303 7.507 ( -14.227 -2.638 0.000) 14.470 7.970 ( -1.479 4.392 0.000) 4.634 8.182 ( -7.431 0.398 0.000) 7.441 8.502 ( 3.494 -2.201 0.000) 4.130 8.512 ( -8.246 1.462 0.000) 8.374 8.898 ( -7.866 -6.982 0.000) 10.518 8.940 ( 5.651 -0.002 0.000) 5.651 9.218 ( -0.130 -7.583 0.000) 7.584 9.483 ( -9.809 1.556 0.000) 9.932 9.791 ( -6.584 -3.095 0.000) 7.275 12.088 ( 7.029 7.916 0.000) 10.586 12.714 ( -3.406 8.433 0.000) 9.095 13.062 ( 19.356 -14.957 0.000) 24.461 13.521 ( 3.100 -7.670 0.000) 8.273 15.253 ( -6.739 3.544 0.000) 7.614 15.636 ( -9.716 3.818 0.000) 10.440 15.713 ( 0.382 -6.958 0.000) 6.969 16.095 ( -0.148 -5.111 0.000) 5.113 16.512 ( 13.809 5.808 0.000) 14.981 16.949 ( 0.864 4.377 0.000) 4.462 17.175 ( 20.108 -10.070 0.000) 22.489 17.486 ( 4.844 -6.376 0.000) 8.007 18.426 ( 2.697 2.574 0.000) 3.728 18.567 ( -9.493 10.323 0.000) 14.024 18.904 ( 2.370 -11.521 0.000) 11.763 19.048 ( -0.120 -3.460 0.000) 3.462 19.522 ( 3.139 -0.339 0.000) 3.158 19.571 ( 2.882 -1.089 0.000) 3.081 20.166 ( -3.445 -0.419 0.000) 3.471 20.199 ( -2.762 -1.082 0.000) 2.966 21.532 ( 1.454 17.741 0.000) 17.800 22.450 ( 3.884 -5.889 0.000) 7.055 22.486 ( -14.033 11.168 0.000) 17.934 23.336 ( -6.940 -11.442 0.000) 13.382 ======================= Grid point 36 (22/144) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 9.568 19.604 0.000) 21.814 2.096 ( 13.696 14.823 0.000) 20.181 2.835 ( 1.479 -8.124 0.000) 8.257 3.123 ( -4.280 20.298 0.000) 20.744 3.478 ( 26.348 10.530 0.000) 28.374 4.010 ( -1.264 -3.445 0.000) 3.670 4.452 ( 22.103 -8.448 0.000) 23.662 5.115 ( 6.683 17.611 0.000) 18.836 5.319 ( -3.914 -14.119 0.000) 14.651 5.759 ( -4.742 8.031 0.000) 9.326 6.118 ( 13.018 -4.704 0.000) 13.842 6.346 ( 5.401 -10.512 0.000) 11.818 7.039 ( -7.909 1.432 0.000) 8.038 7.207 ( -0.854 12.012 0.000) 12.043 7.257 ( -10.824 -1.901 0.000) 10.989 7.960 ( 0.357 3.719 0.000) 3.736 7.962 ( -15.605 0.306 0.000) 15.608 8.341 ( -9.023 1.824 0.000) 9.206 8.541 ( 0.907 -2.241 0.000) 2.418 8.751 ( -6.685 -5.797 0.000) 8.848 9.018 ( 1.190 -2.667 0.000) 2.920 9.263 ( 5.183 -4.975 0.000) 7.184 9.280 ( -10.754 2.074 0.000) 10.952 9.668 ( -5.700 -6.090 0.000) 8.341 12.236 ( 7.852 9.924 0.000) 12.654 12.649 ( -3.357 10.423 0.000) 10.950 13.362 ( 11.653 -14.622 0.000) 18.697 13.574 ( 2.289 -8.315 0.000) 8.624 15.153 ( -3.485 4.441 0.000) 5.645 15.448 ( -9.385 4.386 0.000) 10.359 15.743 ( 2.794 -9.186 0.000) 9.602 16.066 ( -2.734 -8.375 0.000) 8.810 16.751 ( 10.407 7.247 0.000) 12.682 16.969 ( 1.064 6.161 0.000) 6.252 17.527 ( 15.050 -10.616 0.000) 18.417 17.578 ( 4.522 -5.923 0.000) 7.452 18.406 ( -6.445 10.330 0.000) 12.175 18.464 ( 0.948 3.027 0.000) 3.172 18.953 ( 2.562 -10.818 0.000) 11.117 19.045 ( -0.086 -7.961 0.000) 7.962 19.597 ( 4.655 -0.342 0.000) 4.668 19.640 ( 4.299 -1.016 0.000) 4.417 20.083 ( -5.139 -0.369 0.000) 5.153 20.126 ( -4.839 -1.396 0.000) 5.036 21.580 ( 3.689 18.188 0.000) 18.558 22.223 ( -12.796 14.800 0.000) 19.565 22.545 ( 5.903 -6.300 0.000) 8.634 23.182 ( -8.730 -10.437 0.000) 13.607 ======================= Grid point 37 (23/144) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 13.356 10.730 0.000) 17.133 2.378 ( 14.965 12.205 0.000) 19.311 2.735 ( -9.621 -6.225 0.000) 11.460 2.971 ( -11.209 13.368 0.000) 17.446 3.857 ( 12.437 8.263 0.000) 14.932 4.003 ( 0.184 2.805 0.000) 2.811 4.850 ( 16.987 -8.864 0.000) 19.161 5.229 ( -5.504 -12.215 0.000) 13.398 5.288 ( 10.997 20.345 0.000) 23.127 5.655 ( -6.254 12.929 0.000) 14.362 6.414 ( 15.028 -7.652 0.000) 16.864 6.457 ( 5.753 -10.687 0.000) 12.136 6.948 ( 0.335 2.553 0.000) 2.575 7.115 ( -3.421 -0.249 0.000) 3.430 7.174 ( -2.717 8.563 0.000) 8.983 7.592 ( -21.810 0.745 0.000) 21.823 7.982 ( 2.010 2.683 0.000) 3.353 8.173 ( -8.019 1.465 0.000) 8.152 8.553 ( 0.729 -2.618 0.000) 2.717 8.647 ( -4.230 -4.726 0.000) 6.343 9.009 ( -0.992 -1.055 0.000) 1.449 9.096 ( -7.401 2.735 0.000) 7.890 9.381 ( 6.134 -5.855 0.000) 8.480 9.572 ( -4.403 -7.501 0.000) 8.698 12.380 ( 6.783 11.423 0.000) 13.285 12.580 ( -3.848 11.692 0.000) 12.308 13.525 ( 5.668 -12.464 0.000) 13.692 13.604 ( 0.675 -9.213 0.000) 9.238 15.122 ( 0.395 4.892 0.000) 4.908 15.283 ( -7.451 4.773 0.000) 8.848 15.815 ( 4.407 -10.839 0.000) 11.701 15.996 ( -4.282 -10.560 0.000) 11.395 16.905 ( 5.530 8.500 0.000) 10.141 16.984 ( 0.313 7.693 0.000) 7.699 17.660 ( 3.970 -5.655 0.000) 6.909 17.719 ( 4.416 -8.857 0.000) 9.897 18.344 ( 0.437 8.603 0.000) 8.614 18.455 ( -1.879 3.845 0.000) 4.279 18.998 ( 2.048 -10.753 0.000) 10.947 19.043 ( -0.286 -10.581 0.000) 10.585 19.704 ( 6.336 -0.406 0.000) 6.349 19.741 ( 6.164 -1.215 0.000) 6.283 19.969 ( -6.536 -0.349 0.000) 6.545 20.013 ( -6.728 -1.605 0.000) 6.917 21.676 ( 6.147 18.204 0.000) 19.214 21.997 ( -10.480 16.698 0.000) 19.714 22.676 ( 7.565 -6.992 0.000) 10.301 23.007 ( -9.156 -9.213 0.000) 12.989 ======================= Grid point 38 (24/144) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( -8.454 2.634 0.000) 8.854 2.457 ( 8.454 2.634 0.000) 8.854 2.716 ( -9.213 9.625 0.000) 13.323 2.716 ( 9.213 9.625 0.000) 13.323 3.989 ( -0.243 6.235 0.000) 6.239 3.989 ( 0.243 6.235 0.000) 6.239 5.094 ( -2.473 -10.383 0.000) 10.673 5.094 ( 2.473 -10.383 0.000) 10.673 5.502 ( -6.551 18.076 0.000) 19.227 5.502 ( 6.552 18.076 0.000) 19.227 6.543 ( -0.084 -10.836 0.000) 10.836 6.543 ( 0.084 -10.836 0.000) 10.836 7.108 ( -2.094 4.773 0.000) 5.212 7.108 ( 2.094 4.773 0.000) 5.212 7.170 ( -15.949 1.726 0.000) 16.042 7.170 ( 15.949 1.726 0.000) 16.042 8.046 ( -1.384 1.770 0.000) 2.247 8.046 ( 1.384 1.770 0.000) 2.247 8.582 ( -0.347 -3.509 0.000) 3.526 8.582 ( 0.347 -3.509 0.000) 3.526 9.010 ( -0.079 1.569 0.000) 1.571 9.010 ( 0.079 1.569 0.000) 1.571 9.486 ( -0.456 -7.229 0.000) 7.243 9.486 ( 0.456 -7.229 0.000) 7.243 12.495 ( -0.875 12.037 0.000) 12.069 12.495 ( 0.875 12.037 0.000) 12.069 13.595 ( -0.137 -10.549 0.000) 10.550 13.595 ( 0.137 -10.549 0.000) 10.550 15.168 ( -1.085 4.968 0.000) 5.086 15.168 ( 1.085 4.968 0.000) 5.086 15.906 ( -0.644 -11.371 0.000) 11.389 15.906 ( 0.644 -11.371 0.000) 11.389 16.973 ( -0.106 8.623 0.000) 8.624 16.973 ( 0.106 8.623 0.000) 8.624 17.726 ( -0.197 -6.346 0.000) 6.349 17.726 ( 0.197 -6.346 0.000) 6.349 18.397 ( -2.391 5.561 0.000) 6.053 18.397 ( 2.391 5.561 0.000) 6.053 19.029 ( -0.155 -11.045 0.000) 11.046 19.029 ( 0.155 -11.045 0.000) 11.046 19.836 ( -6.029 -0.389 0.000) 6.042 19.836 ( 6.029 -0.389 0.000) 6.042 19.874 ( -6.239 -1.546 0.000) 6.428 19.874 ( 6.239 -1.546 0.000) 6.428 21.816 ( -8.022 17.714 0.000) 19.446 21.816 ( 8.022 17.714 0.000) 19.446 22.834 ( -8.219 -7.995 0.000) 11.466 22.834 ( 8.219 -7.995 0.000) 11.466 ======================= Grid point 44 (25/144) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 0.000 13.819 0.000) 13.819 1.856 ( 0.000 -7.669 0.000) 7.669 2.404 ( 0.000 31.538 0.000) 31.538 2.801 ( 0.000 25.200 0.000) 25.200 3.491 ( 0.000 -8.933 0.000) 8.933 3.653 ( 0.000 -16.959 0.000) 16.959 3.996 ( 0.000 16.930 0.000) 16.930 5.037 ( 0.000 -22.733 0.000) 22.733 5.187 ( 0.000 11.621 0.000) 11.621 5.652 ( 0.000 -9.570 0.000) 9.570 5.942 ( 0.000 0.457 0.000) 0.457 6.036 ( 0.000 -5.208 0.000) 5.208 7.550 ( 0.000 4.108 0.000) 4.108 7.589 ( 0.000 19.412 0.000) 19.412 7.750 ( 0.000 -5.145 0.000) 5.145 8.159 ( 0.000 2.405 0.000) 2.405 8.230 ( 0.000 -7.980 0.000) 7.980 8.231 ( 0.000 -1.883 0.000) 1.883 8.698 ( 0.000 1.837 0.000) 1.837 8.897 ( 0.000 -0.113 0.000) 0.113 8.911 ( 0.000 -7.335 0.000) 7.335 9.041 ( 0.000 -7.736 0.000) 7.736 9.784 ( 0.000 3.889 0.000) 3.889 9.927 ( 0.000 -1.821 0.000) 1.821 12.075 ( 0.000 6.020 0.000) 6.020 12.316 ( 0.000 -4.883 0.000) 4.883 12.938 ( 0.000 7.342 0.000) 7.342 13.277 ( 0.000 -8.307 0.000) 8.307 15.551 ( 0.000 0.842 0.000) 0.842 15.621 ( 0.000 -2.240 0.000) 2.240 15.964 ( 0.000 1.749 0.000) 1.749 16.010 ( 0.000 -0.362 0.000) 0.362 16.252 ( 0.000 6.115 0.000) 6.115 16.522 ( 0.000 -6.480 0.000) 6.480 17.001 ( 0.000 3.832 0.000) 3.832 17.220 ( 0.000 -6.619 0.000) 6.619 18.407 ( 0.000 3.450 0.000) 3.450 18.636 ( 0.000 -8.389 0.000) 8.389 18.996 ( 0.000 5.941 0.000) 5.941 19.078 ( 0.000 2.055 0.000) 2.055 19.455 ( 0.000 -0.360 0.000) 0.360 19.472 ( 0.000 -1.405 0.000) 1.405 20.229 ( 0.000 -0.422 0.000) 0.422 20.230 ( 0.000 -0.346 0.000) 0.346 21.824 ( 0.000 13.096 0.000) 13.096 22.241 ( 0.000 -7.594 0.000) 7.594 22.922 ( 0.000 4.782 0.000) 4.782 23.239 ( 0.000 -10.619 0.000) 10.619 ======================= Grid point 45 (26/144) ======================= q-point: ( 0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 23.904 12.442 0.000) 26.948 2.117 ( 22.683 -7.526 0.000) 23.899 2.400 ( -0.286 30.824 0.000) 30.825 2.878 ( 9.308 23.421 0.000) 25.202 3.467 ( -2.601 -9.708 0.000) 10.051 3.678 ( 3.501 -16.076 0.000) 16.452 4.016 ( 2.027 17.426 0.000) 17.544 5.031 ( -0.642 -22.124 0.000) 22.133 5.217 ( 3.091 12.047 0.000) 12.438 5.684 ( 3.342 -9.436 0.000) 10.010 5.932 ( -0.963 1.022 0.000) 1.404 6.047 ( 1.141 -5.635 0.000) 5.750 7.456 ( -8.415 3.772 0.000) 9.222 7.581 ( -0.827 19.055 0.000) 19.073 7.663 ( -9.238 -5.468 0.000) 10.735 8.112 ( -1.237 5.480 0.000) 5.618 8.208 ( -2.436 -7.733 0.000) 8.108 8.333 ( 6.064 -4.061 0.000) 7.298 8.659 ( -4.010 2.061 0.000) 4.509 8.870 ( -4.224 -7.151 0.000) 8.305 8.893 ( 0.454 0.774 0.000) 0.898 9.049 ( 0.770 -7.359 0.000) 7.399 9.708 ( -7.333 3.789 0.000) 8.254 9.868 ( -6.003 -2.700 0.000) 6.582 12.127 ( 5.606 7.704 0.000) 9.528 12.467 ( 13.887 -8.415 0.000) 16.237 12.928 ( -0.886 8.268 0.000) 8.316 13.297 ( 1.890 -8.769 0.000) 8.970 15.458 ( -6.709 2.927 0.000) 7.320 15.615 ( -1.842 -4.548 0.000) 4.906 15.880 ( -6.736 3.450 0.000) 7.568 16.020 ( -0.693 -2.922 0.000) 3.003 16.374 ( 11.601 6.365 0.000) 13.233 16.661 ( 13.234 -7.280 0.000) 15.104 17.016 ( 1.571 4.615 0.000) 4.875 17.259 ( 3.690 -6.779 0.000) 7.719 18.433 ( 2.437 3.493 0.000) 4.259 18.657 ( 2.120 -8.091 0.000) 8.364 18.918 ( -6.873 7.037 0.000) 9.837 19.060 ( -2.341 0.166 0.000) 2.347 19.470 ( 1.716 -0.122 0.000) 1.720 19.498 ( 2.197 -1.254 0.000) 2.530 20.210 ( -1.777 -0.193 0.000) 1.788 20.220 ( -1.292 -0.636 0.000) 1.439 21.831 ( 0.772 13.365 0.000) 13.388 22.257 ( 1.653 -7.734 0.000) 7.909 22.855 ( -6.528 6.250 0.000) 9.038 23.202 ( -3.691 -10.804 0.000) 11.417 ======================= Grid point 46 (27/144) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 16.261 12.020 0.000) 20.221 2.398 ( 0.247 28.320 0.000) 28.321 2.525 ( 15.405 -7.746 0.000) 17.243 3.220 ( 25.435 17.371 0.000) 30.801 3.387 ( -5.719 -10.572 0.000) 12.019 3.851 ( 15.906 -12.863 0.000) 20.457 4.070 ( 3.396 17.842 0.000) 18.162 5.012 ( -1.281 -20.541 0.000) 20.581 5.305 ( 6.025 13.300 0.000) 14.601 5.783 ( 7.116 -9.169 0.000) 11.606 5.912 ( -0.941 2.756 0.000) 2.912 6.083 ( 2.714 -6.725 0.000) 7.252 7.265 ( -10.553 3.076 0.000) 10.992 7.435 ( -12.847 -4.162 0.000) 13.505 7.554 ( -2.055 17.755 0.000) 17.873 8.099 ( -0.581 7.696 0.000) 7.718 8.124 ( -6.734 -6.712 0.000) 9.508 8.424 ( 3.071 -5.775 0.000) 6.541 8.548 ( -7.203 2.619 0.000) 7.665 8.756 ( -7.150 -6.734 0.000) 9.822 8.932 ( 3.152 0.322 0.000) 3.168 9.076 ( 2.392 -5.995 0.000) 6.454 9.530 ( -10.268 3.244 0.000) 10.768 9.712 ( -9.383 -4.471 0.000) 10.394 12.280 ( 9.568 10.531 0.000) 14.228 12.775 ( 16.278 -13.177 0.000) 20.943 12.908 ( -1.121 10.229 0.000) 10.290 13.340 ( 2.244 -9.754 0.000) 10.008 15.337 ( -5.393 4.648 0.000) 7.119 15.572 ( -1.838 -6.590 0.000) 6.842 15.728 ( -8.638 5.102 0.000) 10.032 15.974 ( -3.802 -6.333 0.000) 7.387 16.643 ( 14.896 6.979 0.000) 16.450 16.977 ( 17.983 -9.109 0.000) 20.158 17.059 ( 2.676 6.179 0.000) 6.734 17.346 ( 4.901 -7.132 0.000) 8.654 18.490 ( 3.099 3.728 0.000) 4.848 18.711 ( 3.185 -7.508 0.000) 8.155 18.763 ( -8.493 8.496 0.000) 12.012 18.993 ( -4.211 -2.842 0.000) 5.080 19.519 ( 3.191 0.088 0.000) 3.192 19.549 ( 3.055 -1.097 0.000) 3.246 20.160 ( -3.387 -0.082 0.000) 3.388 20.178 ( -3.067 -0.901 0.000) 3.197 21.858 ( 2.153 14.007 0.000) 14.171 22.306 ( 3.476 -8.115 0.000) 8.828 22.691 ( -9.852 9.298 0.000) 13.547 23.101 ( -6.542 -11.071 0.000) 12.859 ======================= Grid point 47 (28/144) ======================= q-point: ( 0.30 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 10.198 9.664 0.000) 14.050 2.416 ( 1.759 23.265 0.000) 23.331 2.674 ( 1.423 -7.568 0.000) 7.700 3.244 ( -9.135 -9.584 0.000) 13.240 3.736 ( 24.424 13.782 0.000) 28.044 4.139 ( 3.573 17.120 0.000) 17.489 4.259 ( 23.121 -10.460 0.000) 25.377 4.981 ( -1.917 -18.498 0.000) 18.597 5.456 ( 9.706 15.245 0.000) 18.072 5.899 ( -0.365 5.714 0.000) 5.725 5.969 ( 12.111 -9.412 0.000) 15.338 6.154 ( 4.526 -8.022 0.000) 9.210 7.078 ( -7.889 2.590 0.000) 8.303 7.209 ( -9.572 -2.889 0.000) 9.999 7.493 ( -4.533 14.799 0.000) 15.478 7.926 ( -14.078 -4.280 0.000) 14.715 8.090 ( -0.218 8.407 0.000) 8.410 8.391 ( -8.680 3.263 0.000) 9.274 8.455 ( 0.514 -6.521 0.000) 6.541 8.619 ( -6.318 -6.893 0.000) 9.351 8.984 ( 1.974 0.347 0.000) 2.004 9.150 ( 4.873 -5.775 0.000) 7.556 9.331 ( -9.970 3.174 0.000) 10.463 9.538 ( -7.946 -6.315 0.000) 10.149 12.472 ( 9.784 12.796 0.000) 16.108 12.883 ( -1.578 12.085 0.000) 12.188 13.057 ( 12.359 -14.870 0.000) 19.336 13.376 ( 1.316 -10.821 0.000) 10.901 15.259 ( -2.570 5.872 0.000) 6.409 15.558 ( -8.655 6.251 0.000) 10.676 15.560 ( 0.636 -8.551 0.000) 8.575 15.883 ( -5.402 -9.025 0.000) 10.518 16.911 ( 11.996 8.312 0.000) 14.594 17.112 ( 2.635 7.592 0.000) 8.036 17.305 ( 14.710 -10.663 0.000) 18.168 17.438 ( 4.504 -7.514 0.000) 8.760 18.539 ( 1.749 4.335 0.000) 4.674 18.612 ( -6.470 9.442 0.000) 11.446 18.771 ( 2.825 -7.210 0.000) 7.743 18.915 ( -3.452 -5.651 0.000) 6.622 19.593 ( 4.583 0.044 0.000) 4.583 19.619 ( 4.313 -0.988 0.000) 4.425 20.078 ( -5.130 -0.054 0.000) 5.130 20.100 ( -5.060 -1.099 0.000) 5.178 21.918 ( 4.091 14.626 0.000) 15.187 22.391 ( 5.292 -8.653 0.000) 10.143 22.494 ( -10.126 11.983 0.000) 15.689 22.959 ( -7.953 -11.047 0.000) 13.612 ======================= Grid point 48 (29/144) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 3.474 15.447 0.000) 15.833 2.540 ( 9.493 4.364 0.000) 10.448 2.649 ( -1.750 -2.580 0.000) 3.118 3.038 ( -11.851 -6.405 0.000) 13.471 4.087 ( 11.553 13.407 0.000) 17.698 4.198 ( 2.214 15.682 0.000) 15.837 4.640 ( 15.027 -11.555 0.000) 18.956 4.934 ( -3.183 -16.253 0.000) 16.561 5.668 ( 11.163 16.458 0.000) 19.886 5.890 ( -0.958 9.762 0.000) 9.809 6.218 ( 11.391 -10.924 0.000) 15.783 6.251 ( 5.058 -9.263 0.000) 10.554 7.004 ( 2.050 2.876 0.000) 3.532 7.102 ( -0.672 -1.270 0.000) 1.437 7.367 ( -8.609 9.356 0.000) 12.714 7.590 ( -19.894 -1.290 0.000) 19.936 8.094 ( 0.866 7.899 0.000) 7.946 8.233 ( -7.075 4.559 0.000) 8.417 8.458 ( 0.190 -6.829 0.000) 6.831 8.523 ( -3.642 -7.317 0.000) 8.173 9.016 ( 1.659 2.285 0.000) 2.823 9.162 ( -7.070 3.989 0.000) 8.118 9.244 ( 4.592 -7.114 0.000) 8.467 9.413 ( -5.146 -7.675 0.000) 9.240 12.644 ( 7.693 13.946 0.000) 15.927 12.842 ( -2.870 13.392 0.000) 13.696 13.247 ( 7.382 -14.355 0.000) 16.142 13.385 ( -0.532 -11.929 0.000) 11.941 15.242 ( 0.867 6.740 0.000) 6.795 15.403 ( -7.058 6.945 0.000) 9.902 15.596 ( 3.057 -10.212 0.000) 10.660 15.775 ( -5.594 -10.618 0.000) 12.002 17.089 ( 6.285 9.393 0.000) 11.302 17.154 ( 1.480 8.699 0.000) 8.824 17.512 ( 6.329 -10.700 0.000) 12.431 17.516 ( 3.443 -8.091 0.000) 8.793 18.531 ( -1.757 9.128 0.000) 9.296 18.552 ( -0.399 5.481 0.000) 5.495 18.816 ( 1.740 -7.442 0.000) 7.643 18.865 ( -1.723 -7.487 0.000) 7.683 19.698 ( 6.228 -0.093 0.000) 6.228 19.718 ( 5.993 -0.962 0.000) 6.069 19.963 ( -6.590 -0.106 0.000) 6.591 19.984 ( -6.745 -1.145 0.000) 6.842 22.016 ( 5.992 14.867 0.000) 16.029 22.308 ( -8.997 13.686 0.000) 16.378 22.508 ( 6.728 -9.295 0.000) 11.475 22.802 ( -8.147 -10.645 0.000) 13.404 ======================= Grid point 49 (30/144) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( -2.841 6.203 0.000) 6.822 2.544 ( 2.841 6.203 0.000) 6.822 2.799 ( -5.860 -1.684 0.000) 6.097 2.799 ( 5.860 -1.684 0.000) 6.097 4.208 ( -0.133 14.291 0.000) 14.291 4.208 ( 0.133 14.291 0.000) 14.291 4.843 ( -1.340 -13.838 0.000) 13.902 4.843 ( 1.340 -13.838 0.000) 13.902 5.836 ( -1.373 14.189 0.000) 14.255 5.836 ( 1.373 14.189 0.000) 14.255 6.320 ( -0.020 -10.743 0.000) 10.743 6.320 ( 0.020 -10.743 0.000) 10.743 7.187 ( -5.839 2.773 0.000) 6.464 7.187 ( 5.839 2.773 0.000) 6.464 7.207 ( -15.265 1.553 0.000) 15.344 7.207 ( 15.265 1.553 0.000) 15.344 8.132 ( -0.560 6.575 0.000) 6.598 8.132 ( 0.560 6.575 0.000) 6.598 8.474 ( -0.120 -7.149 0.000) 7.150 8.474 ( 0.120 -7.149 0.000) 7.150 9.062 ( -0.268 3.867 0.000) 3.876 9.062 ( 0.268 3.867 0.000) 3.876 9.327 ( -0.315 -7.953 0.000) 7.959 9.327 ( 0.315 -7.953 0.000) 7.959 12.767 ( -0.798 14.060 0.000) 14.083 12.767 ( 0.798 14.060 0.000) 14.083 13.349 ( -0.403 -13.146 0.000) 13.152 13.349 ( 0.403 -13.146 0.000) 13.152 15.292 ( -0.876 7.121 0.000) 7.175 15.292 ( 0.876 7.121 0.000) 7.175 15.673 ( -0.720 -11.000 0.000) 11.024 15.673 ( 0.721 -11.000 0.000) 11.024 17.159 ( -0.062 9.441 0.000) 9.441 17.159 ( 0.062 9.441 0.000) 9.441 17.560 ( -0.013 -9.286 0.000) 9.286 17.560 ( 0.013 -9.286 0.000) 9.286 18.532 ( -0.190 7.301 0.000) 7.303 18.532 ( 0.190 7.301 0.000) 7.303 18.841 ( -0.122 -7.850 0.000) 7.851 18.841 ( 0.122 -7.850 0.000) 7.851 19.829 ( -6.061 -0.169 0.000) 6.064 19.829 ( 6.061 -0.169 0.000) 6.064 19.847 ( -5.988 -1.043 0.000) 6.078 19.847 ( 5.988 -1.043 0.000) 6.078 22.148 ( -6.859 14.580 0.000) 16.113 22.148 ( 6.859 14.580 0.000) 16.113 22.648 ( -7.658 -9.997 0.000) 12.593 22.648 ( 7.658 -9.997 0.000) 12.593 ======================= Grid point 55 (31/144) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 0.000 -11.064 0.000) 11.064 1.662 ( 0.000 11.064 0.000) 11.064 3.029 ( 0.000 -28.417 0.000) 28.417 3.029 ( 0.000 28.417 0.000) 28.417 3.270 ( 0.000 -20.449 0.000) 20.449 3.270 ( 0.000 20.449 0.000) 20.449 4.521 ( 0.000 -26.910 0.000) 26.910 4.521 ( 0.000 26.910 0.000) 26.910 5.430 ( 0.000 -11.618 0.000) 11.618 5.430 ( 0.000 11.618 0.000) 11.618 5.964 ( 0.000 -2.017 0.000) 2.017 5.964 ( 0.000 2.017 0.000) 2.017 7.644 ( 0.000 -4.977 0.000) 4.977 7.644 ( 0.000 4.977 0.000) 4.977 7.970 ( 0.000 -16.528 0.000) 16.528 7.970 ( 0.000 16.528 0.000) 16.528 8.199 ( 0.000 -1.525 0.000) 1.525 8.199 ( 0.000 1.525 0.000) 1.525 8.777 ( 0.000 -5.496 0.000) 5.496 8.777 ( 0.000 5.496 0.000) 5.496 8.926 ( 0.000 -3.313 0.000) 3.313 8.926 ( 0.000 3.313 0.000) 3.313 9.867 ( 0.000 -3.795 0.000) 3.795 9.867 ( 0.000 3.795 0.000) 3.795 12.201 ( 0.000 -6.049 0.000) 6.049 12.201 ( 0.000 6.049 0.000) 6.049 13.102 ( 0.000 -8.432 0.000) 8.432 13.102 ( 0.000 8.432 0.000) 8.432 15.578 ( 0.000 -1.772 0.000) 1.772 15.578 ( 0.000 1.772 0.000) 1.772 15.994 ( 0.000 -1.138 0.000) 1.138 15.994 ( 0.000 1.138 0.000) 1.138 16.385 ( 0.000 -6.678 0.000) 6.678 16.385 ( 0.000 6.678 0.000) 6.678 17.096 ( 0.000 -5.339 0.000) 5.339 17.096 ( 0.000 5.339 0.000) 5.339 18.497 ( 0.000 -5.356 0.000) 5.356 18.497 ( 0.000 5.356 0.000) 5.356 19.080 ( 0.000 -2.030 0.000) 2.030 19.080 ( 0.000 2.030 0.000) 2.030 19.453 ( 0.000 -0.328 0.000) 0.328 19.453 ( 0.000 0.328 0.000) 0.328 20.225 ( 0.000 -0.040 0.000) 0.040 20.225 ( 0.000 0.040 0.000) 0.040 22.061 ( 0.000 -9.992 0.000) 9.992 22.061 ( 0.000 9.992 0.000) 9.992 23.049 ( 0.000 -7.684 0.000) 7.684 23.049 ( 0.000 7.684 0.000) 7.684 ======================= Grid point 57 (32/144) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 22.894 -10.562 0.000) 25.213 1.928 ( 22.894 10.562 0.000) 25.213 3.012 ( -1.685 -27.831 0.000) 27.882 3.012 ( -1.685 27.831 0.000) 27.882 3.317 ( 5.950 -19.212 0.000) 20.112 3.317 ( 5.950 19.212 0.000) 20.112 4.529 ( 0.740 -26.180 0.000) 26.190 4.529 ( 0.740 26.180 0.000) 26.190 5.464 ( 3.486 -11.616 0.000) 12.128 5.464 ( 3.486 11.616 0.000) 12.128 5.965 ( 0.168 -2.549 0.000) 2.555 5.965 ( 0.168 2.549 0.000) 2.555 7.550 ( -8.814 -5.208 0.000) 10.238 7.550 ( -8.814 5.208 0.000) 10.238 7.954 ( -1.661 -16.152 0.000) 16.238 7.954 ( -1.661 16.152 0.000) 16.238 8.230 ( 2.533 -5.716 0.000) 6.252 8.230 ( 2.533 5.716 0.000) 6.252 8.738 ( -3.926 -5.413 0.000) 6.687 8.738 ( -3.926 5.413 0.000) 6.687 8.935 ( 1.110 -3.691 0.000) 3.854 8.935 ( 1.110 3.691 0.000) 3.854 9.794 ( -7.181 -4.215 0.000) 8.326 9.794 ( -7.181 4.215 0.000) 8.326 12.294 ( 9.035 -8.364 0.000) 12.312 12.294 ( 9.035 8.364 0.000) 12.312 13.110 ( 0.737 -9.173 0.000) 9.203 13.110 ( 0.737 9.173 0.000) 9.203 15.528 ( -4.326 -3.846 0.000) 5.789 15.528 ( -4.326 3.846 0.000) 5.789 15.952 ( -4.152 -3.510 0.000) 5.437 15.952 ( -4.152 3.510 0.000) 5.437 16.513 ( 12.106 -7.048 0.000) 14.008 16.513 ( 12.106 7.048 0.000) 14.008 17.126 ( 2.939 -5.972 0.000) 6.656 17.126 ( 2.939 5.972 0.000) 6.656 18.522 ( 2.461 -5.282 0.000) 5.827 18.522 ( 2.461 5.282 0.000) 5.827 19.028 ( -4.988 -3.503 0.000) 6.095 19.028 ( -4.988 3.503 0.000) 6.095 19.476 ( 2.135 -0.733 0.000) 2.257 19.476 ( 2.135 0.733 0.000) 2.257 20.210 ( -1.567 -0.263 0.000) 1.589 20.210 ( -1.567 0.263 0.000) 1.589 22.073 ( 1.280 -10.214 0.000) 10.294 22.073 ( 1.280 10.214 0.000) 10.294 23.004 ( -4.501 -8.377 0.000) 9.510 23.004 ( -4.501 8.377 0.000) 9.510 ======================= Grid point 59 (33/144) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 15.462 -10.284 0.000) 18.570 2.335 ( 15.462 10.284 0.000) 18.570 2.965 ( -3.200 -25.798 0.000) 25.995 2.965 ( -3.200 25.798 0.000) 25.995 3.562 ( 20.104 -15.385 0.000) 25.315 3.562 ( 20.104 15.385 0.000) 25.315 4.547 ( 1.024 -24.203 0.000) 24.224 4.547 ( 1.024 24.203 0.000) 24.224 5.565 ( 7.034 -11.791 0.000) 13.729 5.565 ( 7.034 11.791 0.000) 13.729 5.976 ( 1.160 -3.892 0.000) 4.061 5.976 ( 1.160 3.892 0.000) 4.061 7.344 ( -11.487 -4.395 0.000) 12.299 7.344 ( -11.487 4.395 0.000) 12.299 7.899 ( -4.372 -14.661 0.000) 15.299 7.899 ( -4.372 14.661 0.000) 15.299 8.270 ( 1.326 -8.498 0.000) 8.600 8.270 ( 1.326 8.498 0.000) 8.600 8.630 ( -7.008 -5.232 0.000) 8.746 8.630 ( -7.008 5.232 0.000) 8.746 8.974 ( 2.892 -3.715 0.000) 4.708 8.974 ( 2.892 3.715 0.000) 4.708 9.614 ( -10.521 -4.695 0.000) 11.521 9.614 ( -10.521 4.695 0.000) 11.521 12.515 ( 12.737 -12.093 0.000) 17.563 12.515 ( 12.737 12.093 0.000) 17.563 13.126 ( 0.830 -10.707 0.000) 10.739 13.126 ( 0.830 10.707 0.000) 10.739 15.445 ( -3.759 -5.747 0.000) 6.867 15.445 ( -3.759 5.747 0.000) 6.867 15.844 ( -6.706 -6.118 0.000) 9.078 15.844 ( -6.706 6.118 0.000) 9.078 16.799 ( 16.188 -8.127 0.000) 18.113 16.799 ( 16.188 8.127 0.000) 18.113 17.197 ( 4.102 -7.103 0.000) 8.202 17.197 ( 4.102 7.103 0.000) 8.202 18.582 ( 3.404 -5.247 0.000) 6.254 18.582 ( 3.404 5.247 0.000) 6.254 18.909 ( -6.794 -5.539 0.000) 8.766 18.909 ( -6.794 5.539 0.000) 8.766 19.528 ( 3.177 -0.803 0.000) 3.277 19.528 ( 3.177 0.803 0.000) 3.277 20.164 ( -3.277 -0.458 0.000) 3.309 20.164 ( -3.277 0.458 0.000) 3.309 22.112 ( 2.880 -10.768 0.000) 11.147 22.112 ( 2.880 10.768 0.000) 11.147 22.886 ( -7.414 -9.856 0.000) 12.333 22.886 ( -7.414 9.856 0.000) 12.333 ======================= Grid point 61 (34/144) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 5.350 -7.750 0.000) 9.417 2.518 ( 5.350 7.750 0.000) 9.417 2.890 ( -4.467 -21.699 0.000) 22.154 2.890 ( -4.467 21.699 0.000) 22.154 4.017 ( 23.440 -12.964 0.000) 26.786 4.017 ( 23.440 12.964 0.000) 26.786 4.565 ( 0.718 -21.530 0.000) 21.542 4.565 ( 0.718 21.530 0.000) 21.542 5.741 ( 11.208 -12.483 0.000) 16.776 5.741 ( 11.208 12.483 0.000) 16.776 6.013 ( 2.687 -5.843 0.000) 6.432 6.013 ( 2.687 5.843 0.000) 6.432 7.142 ( -8.445 -3.388 0.000) 9.099 7.142 ( -8.445 3.388 0.000) 9.099 7.769 ( -9.510 -10.995 0.000) 14.537 7.769 ( -9.510 10.995 0.000) 14.537 8.282 ( 0.062 -9.606 0.000) 9.607 8.282 ( 0.062 9.606 0.000) 9.607 8.484 ( -7.516 -5.780 0.000) 9.481 8.484 ( -7.516 5.780 0.000) 9.481 9.039 ( 3.523 -4.525 0.000) 5.735 9.039 ( 3.523 4.525 0.000) 5.735 9.417 ( -9.293 -5.172 0.000) 10.635 9.417 ( -9.293 5.172 0.000) 10.635 12.754 ( 11.437 -14.354 0.000) 18.353 12.754 ( 11.437 14.354 0.000) 18.353 13.136 ( 0.013 -12.199 0.000) 12.199 13.136 ( 0.013 12.199 0.000) 12.199 15.395 ( -1.201 -7.342 0.000) 7.439 15.395 ( -1.201 7.342 0.000) 7.439 15.705 ( -7.363 -8.015 0.000) 10.884 15.705 ( -7.363 8.015 0.000) 10.884 17.095 ( 13.447 -9.602 0.000) 16.523 17.095 ( 13.447 9.602 0.000) 16.523 17.275 ( 3.776 -8.080 0.000) 8.918 17.275 ( 3.776 8.080 0.000) 8.918 18.642 ( 2.541 -5.561 0.000) 6.114 18.642 ( 2.541 5.561 0.000) 6.114 18.786 ( -5.475 -7.257 0.000) 9.090 18.786 ( -5.475 7.257 0.000) 9.090 19.601 ( 4.437 -0.677 0.000) 4.488 19.601 ( 4.437 0.677 0.000) 4.488 20.082 ( -5.136 -0.542 0.000) 5.165 20.082 ( -5.136 0.542 0.000) 5.165 22.185 ( 4.659 -11.396 0.000) 12.312 22.185 ( 4.659 11.396 0.000) 12.312 22.730 ( -8.375 -11.167 0.000) 13.959 22.730 ( -8.375 11.167 0.000) 13.959 ======================= Grid point 63 (35/144) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 4.190 -2.350 0.000) 4.804 2.602 ( 4.190 2.350 0.000) 4.804 2.795 ( -5.268 -15.269 0.000) 16.152 2.795 ( -5.268 15.269 0.000) 16.152 4.376 ( 12.898 -13.857 0.000) 18.930 4.376 ( 12.898 13.857 0.000) 18.930 4.569 ( -0.464 -18.729 0.000) 18.735 4.569 ( -0.464 18.729 0.000) 18.735 5.971 ( 10.824 -13.161 0.000) 17.041 5.971 ( 10.824 13.161 0.000) 17.041 6.072 ( 2.919 -8.343 0.000) 8.839 6.072 ( 2.919 8.343 0.000) 8.839 7.062 ( 1.410 -2.522 0.000) 2.889 7.062 ( 1.410 2.522 0.000) 2.889 7.524 ( -15.431 -5.398 0.000) 16.348 7.524 ( -15.431 5.398 0.000) 16.348 8.282 ( 0.237 -9.595 0.000) 9.598 8.282 ( 0.237 9.595 0.000) 9.598 8.362 ( -4.740 -7.660 0.000) 9.008 8.362 ( -4.740 7.660 0.000) 9.008 9.105 ( 3.310 -5.967 0.000) 6.824 9.105 ( 3.310 5.967 0.000) 6.824 9.267 ( -6.163 -6.220 0.000) 8.756 9.267 ( -6.163 6.220 0.000) 8.756 12.943 ( 7.971 -14.887 0.000) 16.887 12.943 ( 7.971 14.887 0.000) 16.887 13.121 ( -1.745 -13.433 0.000) 13.546 13.121 ( -1.745 13.433 0.000) 13.546 15.401 ( 1.777 -8.660 0.000) 8.841 15.401 ( 1.777 8.660 0.000) 8.841 15.569 ( -6.470 -9.117 0.000) 11.179 15.569 ( -6.470 9.117 0.000) 11.179 17.293 ( 6.693 -10.364 0.000) 12.337 17.293 ( 6.693 10.364 0.000) 12.337 17.338 ( 2.474 -8.978 0.000) 9.313 17.338 ( 2.474 8.978 0.000) 9.313 18.675 ( 0.979 -6.363 0.000) 6.438 18.675 ( 0.979 6.363 0.000) 6.438 18.709 ( -2.352 -8.022 0.000) 8.360 18.709 ( -2.352 8.022 0.000) 8.360 19.702 ( 6.066 -0.530 0.000) 6.089 19.702 ( 6.066 0.530 0.000) 6.089 19.967 ( -6.678 -0.505 0.000) 6.697 19.967 ( -6.678 0.505 0.000) 6.697 22.291 ( 6.169 -11.869 0.000) 13.377 22.291 ( 6.169 11.869 0.000) 13.377 22.570 ( -8.067 -11.889 0.000) 14.368 22.570 ( -8.067 11.889 0.000) 14.368 ======================= Grid point 65 (36/144) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( -1.312 -7.299 0.000) 7.416 2.692 ( -1.312 7.299 0.000) 7.416 2.692 ( 1.312 -7.299 0.000) 7.416 2.692 ( 1.312 7.299 0.000) 7.416 4.531 ( -0.536 -16.090 0.000) 16.099 4.531 ( 0.536 -16.090 0.000) 16.099 4.531 ( -0.536 16.090 0.000) 16.099 4.531 ( 0.536 16.090 0.000) 16.099 6.095 ( -0.104 -11.368 0.000) 11.368 6.095 ( -0.104 11.368 0.000) 11.368 6.095 ( 0.104 -11.368 0.000) 11.368 6.095 ( 0.104 11.368 0.000) 11.368 7.220 ( -11.610 -0.465 0.000) 11.619 7.220 ( -11.610 0.465 0.000) 11.619 7.220 ( 11.610 -0.465 0.000) 11.619 7.220 ( 11.610 0.465 0.000) 11.619 8.300 ( -0.157 -9.049 0.000) 9.051 8.300 ( -0.157 9.049 0.000) 9.051 8.300 ( 0.157 -9.049 0.000) 9.051 8.300 ( 0.157 9.049 0.000) 9.051 9.172 ( -0.304 -6.687 0.000) 6.694 9.172 ( -0.304 6.687 0.000) 6.694 9.172 ( 0.304 -6.687 0.000) 6.694 9.172 ( 0.304 6.687 0.000) 6.694 13.062 ( -0.646 -14.394 0.000) 14.409 13.062 ( -0.646 14.394 0.000) 14.409 13.062 ( 0.646 -14.394 0.000) 14.409 13.062 ( 0.646 14.394 0.000) 14.409 15.462 ( -0.777 -9.330 0.000) 9.362 15.462 ( -0.777 9.330 0.000) 9.362 15.462 ( 0.777 -9.330 0.000) 9.362 15.462 ( 0.777 9.330 0.000) 9.362 17.359 ( -0.015 -9.911 0.000) 9.911 17.359 ( -0.015 9.911 0.000) 9.911 17.359 ( 0.015 -9.911 0.000) 9.911 17.359 ( 0.015 9.911 0.000) 9.911 18.686 ( -0.023 -7.455 0.000) 7.455 18.686 ( 0.024 -7.455 0.000) 7.455 18.686 ( -0.023 7.455 0.000) 7.455 18.686 ( 0.024 7.455 0.000) 7.455 19.831 ( -6.013 -0.450 0.000) 6.030 19.831 ( -6.013 0.450 0.000) 6.030 19.831 ( 6.013 -0.450 0.000) 6.030 19.831 ( 6.013 0.450 0.000) 6.030 22.421 ( -6.775 -12.070 0.000) 13.841 22.421 ( 6.775 -12.070 0.000) 13.841 22.421 ( -6.775 12.070 0.000) 13.841 22.421 ( 6.775 12.070 0.000) 13.841 ======================= Grid point 121 (37/144) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 0.000 0.000 29.967) 29.967 0.614 ( 0.000 0.000 29.552) 29.552 1.150 ( 0.000 0.000 57.167) 57.167 1.418 ( 0.000 0.000 10.787) 10.787 2.001 ( 0.000 0.000 -2.474) 2.474 4.100 ( 0.000 0.000 -12.738) 12.738 4.323 ( 0.000 0.000 -7.793) 7.793 4.801 ( 0.000 0.000 17.347) 17.347 5.117 ( 0.000 0.000 -40.891) 40.891 5.885 ( 0.000 0.000 -4.679) 4.679 6.519 ( 0.000 0.000 29.240) 29.240 6.691 ( 0.000 0.000 0.386) 0.386 6.874 ( 0.000 0.000 -1.760) 1.760 7.492 ( 0.000 0.000 6.112) 6.112 7.819 ( 0.000 0.000 -4.668) 4.668 7.943 ( 0.000 0.000 -3.792) 3.792 7.957 ( 0.000 0.000 -6.006) 6.006 8.346 ( 0.000 0.000 -10.017) 10.017 8.726 ( 0.000 0.000 11.074) 11.074 9.209 ( 0.000 0.000 7.132) 7.132 9.520 ( 0.000 0.000 4.026) 4.026 9.669 ( 0.000 0.000 0.029) 0.029 9.673 ( 0.000 0.000 -5.872) 5.872 10.405 ( 0.000 0.000 -8.259) 8.259 11.882 ( 0.000 0.000 7.072) 7.072 12.510 ( 0.000 0.000 6.838) 6.838 12.591 ( 0.000 0.000 -4.747) 4.747 13.556 ( 0.000 0.000 -10.118) 10.118 15.604 ( 0.000 0.000 3.435) 3.435 15.753 ( 0.000 0.000 8.024) 8.024 16.005 ( 0.000 0.000 -2.935) 2.935 16.007 ( 0.000 0.000 2.831) 2.831 16.799 ( 0.000 0.000 -3.436) 3.436 16.820 ( 0.000 0.000 -5.366) 5.366 17.255 ( 0.000 0.000 3.564) 3.564 17.612 ( 0.000 0.000 -2.135) 2.135 17.707 ( 0.000 0.000 7.181) 7.181 18.456 ( 0.000 0.000 -5.787) 5.787 19.472 ( 0.000 0.000 0.418) 0.418 19.553 ( 0.000 0.000 -0.787) 0.787 19.856 ( 0.000 0.000 1.839) 1.839 20.034 ( 0.000 0.000 -0.867) 0.867 20.152 ( 0.000 0.000 1.830) 1.830 20.274 ( 0.000 0.000 -0.609) 0.609 20.320 ( 0.000 0.000 0.449) 0.449 20.379 ( 0.000 0.000 -0.167) 0.167 23.993 ( 0.000 0.000 1.165) 1.165 24.053 ( 0.000 0.000 0.223) 0.223 ======================= Grid point 122 (38/144) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 7.756 0.000 25.014) 26.189 0.896 ( 10.805 0.000 30.539) 32.394 1.465 ( 24.433 0.000 17.278) 29.925 1.576 ( 26.841 0.000 27.334) 38.309 2.273 ( 24.943 0.000 -3.275) 25.157 4.123 ( 0.590 0.000 -12.478) 12.492 4.313 ( -1.107 0.000 -6.906) 6.994 4.889 ( 5.656 0.000 9.154) 10.760 5.094 ( -2.030 0.000 -39.152) 39.204 5.862 ( -2.426 0.000 -4.807) 5.385 6.476 ( -4.311 0.000 28.968) 29.287 6.712 ( 1.964 0.000 0.044) 1.964 6.868 ( -0.573 0.000 -1.833) 1.921 7.276 ( -13.346 0.000 5.433) 14.409 7.809 ( -10.730 0.000 -4.418) 11.603 7.968 ( 0.173 0.000 -6.626) 6.628 8.078 ( 17.228 0.000 -6.144) 18.291 8.409 ( 4.238 0.000 -8.096) 9.138 8.700 ( -1.899 0.000 11.941) 12.091 8.849 ( -28.075 0.000 31.736) 42.372 9.482 ( -4.352 0.000 4.832) 6.503 9.563 ( -11.443 0.000 -1.395) 11.528 9.621 ( -4.445 0.000 -1.415) 4.665 9.898 ( -10.699 0.000 6.557) 12.548 11.867 ( 1.655 0.000 4.359) 4.663 12.535 ( -5.271 0.000 -4.569) 6.976 13.340 ( 36.453 0.000 -30.835) 47.746 13.594 ( 3.616 0.000 -8.988) 9.688 15.405 ( -11.940 0.000 6.218) 13.462 15.841 ( -13.058 0.000 1.985) 13.208 15.963 ( 12.821 0.000 4.610) 13.624 16.007 ( -0.210 0.000 0.782) 0.809 16.514 ( -5.723 0.000 21.310) 22.065 16.827 ( 0.739 0.000 -4.047) 4.114 17.626 ( 1.258 0.000 -2.293) 2.615 17.703 ( 17.578 0.000 -19.144) 25.990 17.743 ( 3.751 0.000 6.606) 7.596 18.393 ( -3.640 0.000 -0.699) 3.707 19.488 ( 1.579 0.000 0.419) 1.634 19.567 ( 1.410 0.000 -0.788) 1.615 20.018 ( -1.595 0.000 -0.551) 1.687 20.132 ( 3.309 0.000 -2.840) 4.360 20.211 ( 16.402 0.000 -18.805) 24.953 20.279 ( 0.493 0.000 -0.753) 0.900 20.317 ( 1.293 0.000 -1.272) 1.814 20.371 ( -0.804 0.000 -0.176) 0.823 23.507 ( -33.209 0.000 33.358) 47.070 23.934 ( -5.895 0.000 0.677) 5.933 ======================= Grid point 123 (39/144) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 13.272 0.000 15.952) 20.751 1.082 ( 11.793 0.000 21.495) 24.517 1.732 ( 12.325 0.000 6.007) 13.711 2.478 ( 51.174 0.000 21.208) 55.395 2.795 ( 24.498 0.000 -6.402) 25.321 4.107 ( -1.987 0.000 -7.280) 7.547 4.270 ( -3.762 0.000 -4.315) 5.725 4.977 ( 4.109 0.000 5.805) 7.112 5.078 ( 1.911 0.000 -32.393) 32.449 5.791 ( -4.886 0.000 -5.137) 7.089 6.362 ( -6.826 0.000 28.301) 29.112 6.758 ( 2.548 0.000 -2.620) 3.654 6.855 ( -0.740 0.000 -2.048) 2.178 7.086 ( -5.684 0.000 6.885) 8.928 7.581 ( -12.001 0.000 -4.028) 12.659 7.958 ( -1.874 0.000 -7.167) 7.408 8.307 ( 3.527 0.000 -7.786) 8.547 8.375 ( -12.451 0.000 19.533) 23.164 8.518 ( -1.943 0.000 -1.587) 2.509 8.735 ( 7.921 0.000 9.616) 12.458 9.333 ( -11.033 0.000 3.036) 11.443 9.334 ( -11.706 0.000 2.454) 11.960 9.526 ( -4.855 0.000 -0.985) 4.954 9.834 ( -0.790 0.000 -3.742) 3.824 11.921 ( 3.563 0.000 3.508) 5.000 12.415 ( -6.541 0.000 -3.249) 7.304 13.677 ( 4.488 0.000 -6.983) 8.300 13.743 ( 10.363 0.000 -19.149) 21.773 15.204 ( -8.453 0.000 7.297) 11.167 15.602 ( -11.264 0.000 4.963) 12.309 16.026 ( 2.345 0.000 -3.149) 3.927 16.173 ( 8.360 0.000 0.899) 8.408 16.517 ( 3.243 0.000 18.291) 18.577 16.847 ( 1.240 0.000 0.233) 1.262 17.656 ( 1.714 0.000 -4.029) 4.378 17.849 ( 7.013 0.000 6.347) 9.459 17.869 ( 2.205 0.000 -12.296) 12.492 18.364 ( 0.375 0.000 0.530) 0.649 19.533 ( 3.118 0.000 0.370) 3.140 19.606 ( 2.517 0.000 -0.805) 2.642 19.978 ( -2.454 0.000 0.117) 2.457 20.126 ( -1.530 0.000 1.358) 2.046 20.266 ( -1.646 0.000 -0.773) 1.818 20.298 ( 1.598 0.000 -1.079) 1.929 20.349 ( -1.470 0.000 -0.188) 1.482 20.523 ( 8.954 0.000 -25.198) 26.741 23.078 ( -12.560 0.000 28.925) 31.534 23.776 ( -10.136 0.000 -0.323) 10.141 ======================= Grid point 124 (40/144) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 16.611 0.000 8.006) 18.440 1.374 ( 17.641 0.000 6.327) 18.741 1.958 ( 10.773 0.000 1.716) 10.909 3.079 ( 3.074 0.000 -13.303) 13.654 3.428 ( 45.679 0.000 17.543) 48.932 4.056 ( -2.882 0.000 -1.278) 3.153 4.162 ( -6.775 0.000 -0.479) 6.792 5.073 ( 6.238 0.000 3.126) 6.978 5.181 ( 5.801 0.000 -14.953) 16.039 5.693 ( -4.329 0.000 -7.455) 8.621 6.267 ( -0.400 0.000 23.085) 23.088 6.803 ( 1.904 0.000 -4.839) 5.200 6.841 ( -0.739 0.000 -2.450) 2.559 7.049 ( 1.174 0.000 7.747) 7.835 7.370 ( -9.325 0.000 -1.948) 9.527 7.851 ( -10.739 0.000 -3.126) 11.185 8.167 ( -7.029 0.000 10.275) 12.450 8.263 ( -5.187 0.000 -3.016) 6.000 8.509 ( -0.477 0.000 -7.957) 7.971 8.935 ( 9.006 0.000 1.003) 9.062 9.078 ( -14.505 0.000 -0.827) 14.528 9.125 ( -9.307 0.000 6.254) 11.213 9.455 ( -1.358 0.000 1.041) 1.711 9.813 ( -1.759 0.000 -6.440) 6.676 11.995 ( 3.927 0.000 3.419) 5.207 12.298 ( -5.368 0.000 -0.857) 5.436 13.758 ( 3.797 0.000 -5.539) 6.715 13.856 ( 2.732 0.000 -10.719) 11.062 15.084 ( -3.898 0.000 7.788) 8.709 15.399 ( -9.751 0.000 6.149) 11.528 16.092 ( 4.281 0.000 -6.968) 8.179 16.280 ( 2.820 0.000 -3.822) 4.750 16.595 ( 4.380 0.000 16.093) 16.678 16.863 ( -0.049 0.000 6.016) 6.016 17.689 ( 1.724 0.000 -6.503) 6.728 17.858 ( -2.277 0.000 -8.615) 8.911 18.005 ( 8.774 0.000 6.509) 10.925 18.382 ( 0.787 0.000 1.626) 1.807 19.608 ( 4.609 0.000 0.181) 4.613 19.662 ( 3.210 0.000 -0.791) 3.306 19.926 ( -2.847 0.000 0.546) 2.899 20.072 ( -4.187 0.000 0.873) 4.277 20.240 ( -0.790 0.000 0.137) 0.802 20.317 ( -1.821 0.000 -0.144) 1.827 20.345 ( 3.373 0.000 -1.550) 3.712 20.614 ( 1.260 0.000 -17.509) 17.554 22.954 ( -1.459 0.000 16.990) 17.053 23.558 ( -11.937 0.000 -0.853) 11.968 ======================= Grid point 125 (41/144) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 14.943 0.000 2.808) 15.204 1.688 ( 11.345 0.000 -1.285) 11.418 2.176 ( 13.952 0.000 -5.063) 14.842 2.932 ( -16.292 0.000 -17.088) 23.610 3.978 ( -0.005 0.000 2.171) 2.171 4.043 ( -4.916 0.000 2.950) 5.733 4.246 ( 33.621 0.000 17.266) 37.795 5.139 ( -10.819 0.000 6.365) 12.552 5.226 ( 9.454 0.000 -0.001) 9.454 5.606 ( -6.772 0.000 -5.465) 8.701 6.467 ( 20.961 0.000 7.817) 22.371 6.826 ( -0.810 0.000 -2.786) 2.901 6.835 ( 1.900 0.000 -3.897) 4.335 7.101 ( 3.494 0.000 5.723) 6.706 7.230 ( -5.296 0.000 0.618) 5.332 7.528 ( -21.844 0.000 0.447) 21.849 8.092 ( -1.610 0.000 0.120) 1.615 8.161 ( -4.792 0.000 -2.514) 5.411 8.515 ( 1.890 0.000 -7.512) 7.746 8.804 ( -12.934 0.000 -3.494) 13.398 8.996 ( -3.772 0.000 7.882) 8.738 9.009 ( -0.805 0.000 1.852) 2.019 9.511 ( 6.500 0.000 -1.937) 6.783 9.757 ( -4.201 0.000 -7.006) 8.169 12.069 ( 3.638 0.000 3.354) 4.948 12.208 ( -4.025 0.000 1.419) 4.268 13.821 ( 2.702 0.000 -4.976) 5.663 13.878 ( -0.038 0.000 -6.907) 6.908 15.054 ( 0.682 0.000 7.887) 7.916 15.229 ( -7.750 0.000 7.068) 10.489 16.179 ( 4.432 0.000 -9.117) 10.137 16.295 ( -0.888 0.000 -7.454) 7.507 16.682 ( 4.577 0.000 14.605) 15.306 16.837 ( -2.596 0.000 10.294) 10.617 17.722 ( 1.678 0.000 -7.616) 7.798 17.806 ( -2.744 0.000 -7.672) 8.148 18.173 ( 8.171 0.000 6.017) 10.148 18.375 ( -1.791 0.000 3.319) 3.771 19.710 ( 5.832 0.000 -0.192) 5.835 19.727 ( 3.479 0.000 -0.712) 3.551 19.868 ( -3.090 0.000 0.576) 3.143 19.969 ( -6.175 0.000 0.460) 6.192 20.237 ( 0.375 0.000 0.343) 0.508 20.281 ( -1.730 0.000 -0.012) 1.730 20.426 ( 4.786 0.000 -2.671) 5.481 20.595 ( -2.761 0.000 -10.294) 10.658 22.992 ( 4.885 0.000 8.233) 9.573 23.329 ( -11.413 0.000 -0.040) 11.413 ======================= Grid point 126 (42/144) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -5.908 0.000 -0.178) 5.910 1.728 ( 5.908 0.000 -0.178) 5.910 2.540 ( -19.865 0.000 -13.675) 24.117 2.540 ( 19.865 0.000 -13.675) 24.117 3.980 ( -1.256 0.000 3.653) 3.863 3.980 ( 1.256 0.000 3.653) 3.863 4.806 ( -21.320 0.000 14.768) 25.936 4.806 ( 21.320 0.000 14.768) 25.936 5.426 ( -9.303 0.000 -2.135) 9.544 5.426 ( 9.303 0.000 -2.135) 9.544 6.796 ( -2.268 0.000 -2.155) 3.129 6.796 ( 2.268 0.000 -2.155) 3.129 7.030 ( -23.207 0.000 -0.179) 23.208 7.030 ( 23.207 0.000 -0.179) 23.208 7.172 ( -3.993 0.000 3.730) 5.464 7.172 ( 3.993 0.000 3.730) 5.464 8.094 ( -0.532 0.000 -2.483) 2.540 8.094 ( 0.532 0.000 -2.483) 2.540 8.604 ( -6.784 0.000 -5.785) 8.916 8.604 ( 6.784 0.000 -5.785) 8.916 8.975 ( -0.130 0.000 5.992) 5.994 8.975 ( 0.130 0.000 5.992) 5.994 9.649 ( -3.356 0.000 -5.664) 6.584 9.649 ( 3.356 0.000 -5.664) 6.584 12.137 ( -1.389 0.000 2.823) 3.147 12.137 ( 1.389 0.000 2.823) 3.147 13.862 ( -0.356 0.000 -5.334) 5.346 13.862 ( 0.356 0.000 -5.334) 5.346 15.107 ( -3.636 0.000 7.652) 8.472 15.107 ( 3.636 0.000 7.652) 8.472 16.255 ( -0.633 0.000 -9.263) 9.285 16.255 ( 0.633 0.000 -9.263) 9.285 16.769 ( -1.427 0.000 12.880) 12.959 16.769 ( 1.427 0.000 12.880) 12.959 17.758 ( -0.786 0.000 -7.650) 7.691 17.758 ( 0.786 0.000 -7.650) 7.691 18.306 ( -4.645 0.000 4.875) 6.734 18.306 ( 4.645 0.000 4.875) 6.734 19.789 ( -1.589 0.000 -1.039) 1.898 19.789 ( 1.589 0.000 -1.039) 1.898 19.848 ( -4.506 0.000 0.946) 4.604 19.848 ( 4.506 0.000 0.946) 4.604 20.253 ( -1.179 0.000 0.193) 1.195 20.253 ( 1.179 0.000 0.193) 1.195 20.520 ( -4.050 0.000 -5.364) 6.721 20.520 ( 4.050 0.000 -5.364) 6.721 23.129 ( -8.702 0.000 2.775) 9.134 23.129 ( 8.702 0.000 2.775) 9.134 ======================= Grid point 132 (43/144) ======================= q-point: ( 0.00 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 0.000 8.506 24.516) 25.949 0.758 ( 0.000 12.673 23.719) 26.893 1.403 ( 0.000 22.239 43.722) 49.052 1.724 ( 0.000 26.435 7.063) 27.362 2.006 ( 0.000 0.257 -2.193) 2.208 4.071 ( 0.000 -3.809 -14.435) 14.929 4.489 ( 0.000 10.938 -12.601) 16.686 4.760 ( 0.000 -2.970 16.781) 17.042 5.175 ( 0.000 5.001 -36.597) 36.937 5.838 ( 0.000 -4.704 -4.473) 6.491 6.476 ( 0.000 -4.027 26.013) 26.323 6.634 ( 0.000 -6.285 1.668) 6.502 6.897 ( 0.000 2.249 -0.379) 2.281 7.494 ( 0.000 0.347 6.326) 6.336 7.921 ( 0.000 1.052 -5.717) 5.813 7.964 ( 0.000 1.957 -3.354) 3.883 7.975 ( 0.000 7.888 -11.122) 13.635 8.327 ( 0.000 -1.787 -9.426) 9.594 8.695 ( 0.000 -2.358 11.185) 11.431 9.171 ( 0.000 -3.282 9.381) 9.939 9.425 ( 0.000 -6.962 2.632) 7.443 9.602 ( 0.000 -6.051 -0.568) 6.077 9.748 ( 0.000 4.784 -4.282) 6.420 10.056 ( 0.000 -19.698 10.968) 22.546 11.893 ( 0.000 1.339 6.852) 6.982 12.511 ( 0.000 0.060 6.785) 6.786 12.609 ( 0.000 1.679 -4.740) 5.028 13.536 ( 0.000 -1.998 -9.622) 9.827 15.597 ( 0.000 -0.577 3.329) 3.379 15.762 ( 0.000 0.533 7.508) 7.527 15.977 ( 0.000 -2.299 -1.987) 3.038 16.014 ( 0.000 0.661 2.926) 2.999 16.505 ( 0.000 -23.969 29.351) 37.894 16.777 ( 0.000 -2.125 -3.422) 4.029 16.879 ( 0.000 -1.797 1.994) 2.685 17.571 ( 0.000 -3.907 -2.778) 4.794 18.081 ( 0.000 12.488 -8.657) 15.195 18.499 ( 0.000 3.940 -6.056) 7.225 19.200 ( 0.000 -17.219 18.838) 25.521 19.472 ( 0.000 -0.069 0.374) 0.381 19.547 ( 0.000 -0.642 -0.696) 0.947 19.616 ( 0.000 -21.789 1.184) 21.821 20.245 ( 0.000 0.403 0.252) 0.475 20.274 ( 0.000 -0.466 -0.108) 0.478 20.668 ( 0.000 23.742 1.053) 23.765 21.427 ( 0.000 41.621 -38.404) 56.632 23.641 ( 0.000 -25.479 22.676) 34.108 23.919 ( 0.000 -6.892 0.862) 6.946 ======================= Grid point 133 (44/144) ======================= q-point: ( 0.10 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 6.983 11.717 19.696) 23.958 1.062 ( 17.457 12.659 21.311) 30.318 1.646 ( 29.994 15.040 29.404) 44.614 1.810 ( 9.273 23.344 9.900) 26.999 2.279 ( 25.108 0.374 -3.172) 25.310 4.089 ( 1.177 -3.984 -14.001) 14.605 4.453 ( -2.798 10.892 -8.450) 14.066 4.784 ( 1.324 -6.130 11.720) 13.292 5.178 ( 0.238 5.624 -34.187) 34.647 5.819 ( -1.986 -4.486 -4.576) 6.709 6.446 ( -3.141 -3.080 25.829) 26.201 6.642 ( 0.909 -6.812 1.121) 6.963 6.893 ( -0.390 2.309 -0.794) 2.472 7.344 ( -12.051 4.839 2.976) 13.322 7.803 ( -11.232 -0.354 -3.586) 11.795 7.925 ( 0.101 -2.042 -5.259) 5.642 8.149 ( 11.652 5.044 -7.122) 14.558 8.400 ( 4.828 -0.891 -7.595) 9.044 8.617 ( -8.421 -4.100 14.798) 17.513 8.942 ( -15.048 4.889 19.437) 25.062 9.376 ( -5.491 -6.952 3.141) 9.399 9.565 ( -3.725 -5.273 -1.545) 6.638 9.636 ( -10.658 3.545 1.467) 11.328 9.860 ( -4.950 -2.630 2.541) 6.154 11.881 ( 1.387 1.461 4.750) 5.159 12.556 ( -4.896 2.043 -4.545) 6.986 13.131 ( 35.800 -15.083 -14.867) 41.595 13.579 ( 4.114 -1.877 -8.333) 9.481 15.409 ( -11.519 0.396 5.784) 12.896 15.816 ( -10.927 -2.067 1.881) 11.279 15.937 ( 5.373 -1.766 5.472) 7.869 16.036 ( 5.453 2.163 0.840) 5.926 16.438 ( 0.888 -5.792 21.250) 22.044 16.829 ( 0.896 0.191 -4.185) 4.284 17.229 ( 23.527 -18.187 -0.634) 29.744 17.604 ( 3.466 -3.859 -2.350) 5.694 18.081 ( -0.411 11.813 -7.976) 14.260 18.434 ( -4.255 3.876 -0.760) 5.806 19.365 ( 12.755 -25.084 6.697) 28.927 19.489 ( 1.985 -0.459 0.500) 2.098 19.559 ( 1.210 -1.515 -0.840) 2.113 19.619 ( 0.438 -20.577 1.464) 20.634 20.229 ( -1.660 0.370 0.314) 1.729 20.265 ( -0.908 -0.534 -0.170) 1.067 20.666 ( -0.064 23.657 1.081) 23.682 21.385 ( -4.045 39.722 -33.141) 51.890 23.343 ( -21.660 -12.464 30.834) 39.689 23.866 ( -5.519 -6.503 0.429) 8.540 ======================= Grid point 134 (45/144) ======================= q-point: ( 0.20 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 13.949 10.516 11.109) 20.702 1.275 ( 9.509 17.066 19.515) 27.614 1.964 ( 9.656 20.991 3.610) 23.386 2.505 ( 47.779 3.000 19.885) 51.839 2.802 ( 24.254 0.366 -6.142) 25.022 4.098 ( -0.342 -1.889 -9.129) 9.328 4.394 ( -3.415 10.927 -3.839) 12.075 4.815 ( 3.250 -8.969 5.568) 11.045 5.191 ( 1.555 6.095 -26.258) 27.001 5.761 ( -3.857 -3.589 -4.875) 7.178 6.361 ( -5.078 -0.452 25.363) 25.871 6.669 ( 1.691 -7.576 -1.694) 7.945 6.887 ( -0.038 2.449 -1.884) 3.090 7.137 ( -7.839 4.321 5.230) 10.368 7.569 ( -12.240 -1.122 -3.047) 12.663 7.921 ( -0.997 -2.864 -6.506) 7.178 8.278 ( -2.685 -1.512 5.805) 6.572 8.384 ( -6.900 0.932 5.034) 8.592 8.500 ( 0.728 -0.797 -3.781) 3.932 8.839 ( 3.986 7.096 8.460) 11.740 9.221 ( -9.774 -5.986 3.823) 12.083 9.397 ( -12.072 0.438 -0.896) 12.113 9.507 ( -4.223 -0.956 1.757) 4.673 9.821 ( -0.956 -1.166 -4.208) 4.470 11.934 ( 3.623 1.390 3.377) 5.144 12.446 ( -5.870 3.026 -3.058) 7.278 13.569 ( 11.039 -11.058 -14.213) 21.122 13.692 ( 7.715 -2.914 -6.583) 10.552 15.215 ( -8.269 0.962 6.587) 10.615 15.602 ( -10.571 0.084 4.300) 11.412 15.970 ( 1.345 -4.405 -0.969) 4.707 16.211 ( 8.699 2.571 0.668) 9.096 16.499 ( 4.048 -1.536 15.764) 16.348 16.852 ( 1.519 0.511 0.114) 1.607 17.542 ( 8.446 -9.513 -6.286) 14.190 17.723 ( 9.138 -5.257 0.684) 10.564 18.050 ( -2.541 9.477 -4.830) 10.936 18.393 ( -0.012 2.670 1.398) 3.014 19.522 ( 3.571 -6.027 -0.427) 7.019 19.570 ( 3.087 -16.778 -1.427) 17.119 19.608 ( 4.022 -5.037 -0.366) 6.456 19.652 ( 4.914 -24.468 0.498) 24.962 20.180 ( -3.434 0.358 0.478) 3.485 20.236 ( -2.209 -0.822 -0.336) 2.381 20.674 ( 1.133 23.359 1.047) 23.410 21.287 ( -5.766 34.884 -22.563) 41.943 23.022 ( -10.576 -4.966 26.203) 28.690 23.716 ( -9.650 -5.686 -0.452) 11.209 ======================= Grid point 135 (46/144) ======================= q-point: ( 0.30 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 18.481 11.532 3.844) 22.120 1.504 ( 14.483 12.897 8.641) 21.231 2.132 ( 7.157 16.495 0.603) 17.991 3.069 ( 1.935 -1.527 -11.731) 11.987 3.379 ( 39.730 -3.168 15.170) 42.646 4.076 ( -1.934 1.811 -1.686) 3.141 4.337 ( -0.886 14.672 1.608) 14.787 4.947 ( 9.740 -9.096 2.584) 13.575 5.241 ( 2.457 4.654 -13.427) 14.421 5.678 ( -4.416 -2.607 -5.776) 7.724 6.302 ( 1.528 2.961 20.148) 20.422 6.698 ( 1.152 -7.559 -4.898) 9.081 6.894 ( 0.712 2.680 -3.389) 4.379 7.054 ( -1.137 0.785 7.876) 7.997 7.353 ( -9.560 -1.487 -0.966) 9.723 7.844 ( -8.913 -0.722 -5.083) 10.287 8.123 ( -7.720 -2.819 9.835) 12.817 8.277 ( -5.680 0.848 -1.397) 5.911 8.508 ( -0.242 -0.034 -6.916) 6.920 8.952 ( 1.699 -0.061 0.336) 1.733 9.033 ( -8.487 -2.033 1.285) 8.821 9.171 ( -8.776 2.764 2.175) 9.455 9.439 ( -1.883 -1.555 1.585) 2.912 9.803 ( -1.083 -0.949 -5.000) 5.203 12.007 ( 3.704 1.392 2.248) 4.550 12.345 ( -4.414 4.442 -0.109) 6.263 13.692 ( 3.949 -6.490 -9.470) 12.140 13.821 ( 4.633 -3.015 -5.135) 7.545 15.095 ( -4.033 1.017 6.948) 8.098 15.408 ( -9.431 0.844 5.793) 11.100 16.013 ( 2.814 -6.209 -5.690) 8.879 16.338 ( 4.492 3.696 -2.129) 6.195 16.569 ( 3.004 -2.064 12.407) 12.931 16.881 ( 1.211 1.810 6.276) 6.643 17.636 ( 2.949 -4.493 -8.542) 10.092 17.868 ( 2.521 -0.553 -3.149) 4.072 18.038 ( 4.059 4.036 2.684) 6.322 18.406 ( 0.612 2.130 2.303) 3.196 19.582 ( 2.353 -12.941 -1.572) 13.247 19.621 ( 3.457 -5.599 0.035) 6.580 19.651 ( 1.692 -7.224 0.097) 7.420 19.778 ( 6.092 -23.975 -2.837) 24.899 20.097 ( -5.178 0.288 0.666) 5.229 20.178 ( -3.721 -1.656 -0.538) 4.108 20.717 ( 3.417 23.018 0.669) 23.280 21.170 ( -6.229 29.818 -13.280) 33.230 22.916 ( -1.059 -3.478 15.714) 16.129 23.508 ( -11.412 -4.749 -0.886) 12.393 ======================= Grid point 136 (47/144) ======================= q-point: ( 0.40 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 15.314 15.522 2.362) 21.933 1.814 ( 15.055 9.750 -2.359) 18.091 2.245 ( 6.156 8.409 -3.917) 11.133 2.909 ( -16.024 -2.331 -14.196) 21.534 3.896 ( 10.898 -7.225 8.086) 15.374 4.036 ( -1.658 3.264 3.323) 4.944 4.487 ( 18.465 17.733 9.771) 27.402 5.123 ( 3.568 -5.139 -0.513) 6.277 5.221 ( -1.293 4.018 4.499) 6.169 5.577 ( -6.928 -2.962 -3.230) 8.198 6.515 ( 20.316 3.928 6.762) 21.769 6.713 ( 0.536 -7.170 -6.056) 9.401 6.906 ( 0.541 2.934 -3.692) 4.747 7.073 ( 2.430 -2.205 7.718) 8.386 7.210 ( -5.296 -1.596 1.584) 5.753 7.539 ( -21.525 0.946 -0.414) 21.550 8.036 ( -2.187 -3.900 -0.973) 4.576 8.175 ( -4.295 0.425 -0.253) 4.324 8.514 ( 1.625 -0.103 -6.809) 7.001 8.796 ( -11.397 -0.905 -2.179) 11.638 8.923 ( -3.985 -2.816 0.067) 4.880 9.111 ( -1.422 5.188 7.100) 8.907 9.463 ( 3.663 -4.266 -4.795) 7.390 9.777 ( -1.559 1.458 -2.884) 3.588 12.069 ( 2.438 0.745 0.407) 2.581 12.279 ( -2.410 6.180 3.511) 7.505 13.747 ( 1.891 -6.074 -8.418) 10.551 13.878 ( 1.612 -1.117 -2.844) 3.454 15.059 ( 0.171 0.535 6.773) 6.796 15.244 ( -7.238 1.472 7.155) 10.283 16.065 ( 2.261 -7.796 -8.864) 12.019 16.393 ( 1.507 5.703 -5.183) 7.852 16.617 ( 1.923 -4.839 11.633) 12.745 16.891 ( -0.120 4.235 10.489) 11.312 17.679 ( 1.683 -3.358 -9.445) 10.164 17.845 ( -2.435 2.875 -5.150) 6.381 18.180 ( 8.129 0.897 5.243) 9.715 18.396 ( -1.876 1.812 3.868) 4.665 19.618 ( 1.607 -17.403 -1.703) 17.560 19.657 ( 0.101 -10.110 -1.571) 10.231 19.725 ( 5.732 -1.682 0.901) 6.042 19.885 ( 5.073 -15.090 -2.502) 16.116 19.984 ( -6.142 -0.421 0.940) 6.228 20.095 ( -4.769 -3.945 -0.763) 6.236 20.804 ( 5.424 23.160 -0.417) 23.791 21.047 ( -6.479 26.188 -6.776) 27.815 22.957 ( 4.844 -3.224 7.448) 9.451 23.289 ( -10.922 -3.839 -0.036) 11.577 ======================= Grid point 137 (48/144) ======================= q-point: (-0.50 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 0.000 15.598 -0.906) 15.624 1.923 ( -0.000 16.143 0.242) 16.145 2.428 ( 0.000 -4.553 -15.067) 15.740 2.610 ( -0.000 1.388 -8.406) 8.520 3.960 ( 0.000 -2.512 5.135) 5.717 4.021 ( -0.000 3.433 4.738) 5.851 4.823 ( -0.000 7.409 6.754) 10.025 4.974 ( 0.000 10.567 16.272) 19.402 5.328 ( 0.000 -6.010 -3.871) 7.148 5.448 ( -0.000 -0.837 0.920) 1.244 6.713 ( 0.000 -5.987 -6.330) 8.712 6.855 ( -0.000 2.461 -2.813) 3.738 7.028 ( -0.000 1.560 3.012) 3.392 7.051 ( 0.000 0.391 0.202) 0.440 7.119 ( 0.000 -3.242 6.331) 7.113 7.183 ( 0.000 0.106 1.580) 1.583 8.015 ( 0.000 -4.015 -4.432) 5.980 8.131 ( -0.000 0.393 0.553) 0.679 8.568 ( -0.000 -1.716 -5.490) 5.752 8.638 ( 0.000 1.552 -5.422) 5.640 8.885 ( 0.000 -3.278 1.814) 3.746 9.090 ( 0.000 5.434 8.973) 10.490 9.512 ( 0.000 -7.251 -9.789) 12.182 9.756 ( -0.000 4.160 -0.269) 4.169 12.094 ( 0.000 -0.034 -1.104) 1.104 12.254 ( 0.000 7.351 5.722) 9.316 13.766 ( 0.000 -6.148 -8.288) 10.319 13.892 ( 0.000 -0.355 -1.984) 2.016 15.079 ( 0.000 -0.749 5.644) 5.693 15.155 ( 0.000 2.756 8.690) 9.116 16.089 ( 0.000 -8.515 -10.014) 13.145 16.406 ( 0.000 6.685 -6.411) 9.262 16.637 ( 0.000 -6.610 11.651) 13.396 16.887 ( 0.000 5.779 11.843) 13.177 17.698 ( 0.000 -3.231 -9.933) 10.445 17.816 ( -0.000 3.049 -4.732) 5.629 18.296 ( 0.000 0.648 3.347) 3.409 18.345 ( -0.000 1.920 6.281) 6.568 19.642 ( -0.000 -16.457 -2.137) 16.595 19.648 ( 0.000 -13.975 -1.393) 14.045 19.831 ( -0.000 -0.490 -0.158) 0.515 19.866 ( 0.000 0.471 1.392) 1.470 19.979 ( -0.000 -9.250 -2.164) 9.500 20.012 ( 0.000 -7.988 -0.354) 7.996 20.913 ( -0.000 24.322 -2.809) 24.483 20.929 ( 0.000 23.886 -2.571) 24.024 23.072 ( -0.000 -4.114 1.519) 4.385 23.116 ( 0.000 -2.550 3.398) 4.248 ======================= Grid point 143 (49/144) ======================= q-point: ( 0.00 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 0.000 12.081 15.431) 19.598 1.101 ( 0.000 20.115 7.476) 21.459 1.938 ( 0.000 20.554 16.037) 26.070 2.022 ( 0.000 8.123 12.044) 14.527 2.366 ( 0.000 33.254 0.435) 33.257 3.919 ( 0.000 -10.445 -16.549) 19.569 4.676 ( 0.000 -6.283 19.301) 20.298 4.702 ( 0.000 10.120 -8.052) 12.932 5.316 ( 0.000 8.487 -29.998) 31.175 5.688 ( 0.000 -9.869 -3.837) 10.588 6.361 ( 0.000 -6.866 20.238) 21.371 6.449 ( 0.000 -10.650 4.268) 11.473 6.972 ( 0.000 5.266 -0.917) 5.346 7.516 ( 0.000 1.995 7.161) 7.434 7.868 ( 0.000 -4.135 -7.081) 8.200 8.021 ( 0.000 3.587 -1.954) 4.085 8.182 ( 0.000 9.088 -8.124) 12.190 8.274 ( 0.000 -3.361 -8.209) 8.870 8.663 ( 0.000 -0.238 7.299) 7.303 9.094 ( 0.000 -3.996 9.671) 10.464 9.270 ( 0.000 -7.856 2.753) 8.324 9.434 ( 0.000 -9.839 -0.925) 9.882 9.797 ( 0.000 -6.766 5.884) 8.967 9.834 ( 0.000 3.269 -4.875) 5.870 11.940 ( 0.000 3.187 6.417) 7.165 12.505 ( 0.000 -0.921 6.835) 6.896 12.661 ( 0.000 3.440 -4.942) 6.021 13.471 ( 0.000 -4.291 -8.509) 9.530 15.584 ( 0.000 -0.646 3.135) 3.201 15.752 ( 0.000 -1.752 5.587) 5.855 15.954 ( 0.000 0.732 1.291) 1.484 16.031 ( 0.000 0.860 3.132) 3.247 16.246 ( 0.000 -4.953 18.646) 19.293 16.713 ( 0.000 -3.999 -3.319) 5.197 16.877 ( 0.000 0.679 -1.918) 2.035 17.460 ( 0.000 -6.604 -4.083) 7.764 18.238 ( 0.000 4.614 -4.765) 6.633 18.598 ( 0.000 4.784 -7.813) 9.161 19.048 ( 0.000 -1.235 9.334) 9.416 19.228 ( 0.000 -15.019 4.314) 15.626 19.470 ( 0.000 -0.169 0.268) 0.317 19.528 ( 0.000 -1.181 -0.634) 1.340 20.245 ( 0.000 -0.222 0.176) 0.283 20.261 ( 0.000 -0.775 0.066) 0.778 21.137 ( 0.000 21.192 1.479) 21.243 21.979 ( 0.000 15.883 -27.110) 31.420 23.232 ( 0.000 -14.332 21.231) 25.616 23.726 ( 0.000 -11.319 0.238) 11.322 ======================= Grid point 144 (50/144) ======================= q-point: ( 0.10 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 5.059 18.851 6.666) 20.625 1.312 ( 27.784 11.512 13.100) 32.804 2.077 ( 14.973 25.593 26.679) 39.887 2.269 ( 23.747 -0.292 -3.432) 23.995 2.416 ( 5.610 31.058 0.616) 31.566 3.936 ( 1.759 -10.378 -15.840) 19.018 4.648 ( -2.772 -3.655 11.160) 12.066 4.706 ( 0.504 8.411 0.954) 8.480 5.320 ( 0.412 8.369 -29.121) 30.303 5.670 ( -1.813 -9.985 -3.802) 10.837 6.350 ( -1.147 -6.123 20.094) 21.037 6.455 ( 0.788 -10.324 3.477) 10.922 6.966 ( -0.584 4.992 -1.800) 5.339 7.420 ( -8.814 2.605 3.759) 9.930 7.793 ( -11.279 -1.335 -3.089) 11.771 7.915 ( -2.704 1.453 -4.689) 5.605 8.253 ( 4.704 4.225 -4.025) 7.496 8.377 ( 6.642 -1.061 -6.210) 9.154 8.577 ( -7.644 0.222 7.226) 10.521 8.998 ( -6.260 0.530 11.355) 12.977 9.226 ( -4.828 -7.468 3.535) 9.570 9.414 ( -2.375 -9.008 -1.580) 9.449 9.669 ( -8.773 -0.242 3.263) 9.364 9.832 ( -1.628 0.091 -4.371) 4.665 11.933 ( 1.156 3.694 5.053) 6.365 12.619 ( -3.757 4.034 -4.558) 7.152 12.860 ( 26.819 -10.533 -1.345) 28.845 13.514 ( 4.116 -4.348 -7.063) 9.259 15.421 ( -10.425 0.885 4.820) 11.520 15.768 ( -5.817 -2.564 0.198) 6.360 15.905 ( -2.088 -1.020 7.304) 7.664 16.084 ( 7.375 2.243 1.114) 7.789 16.339 ( 7.113 -3.128 15.177) 17.050 16.829 ( 3.837 -0.657 -5.290) 6.568 16.980 ( 15.661 -7.287 -0.258) 17.275 17.497 ( 3.730 -6.291 -3.528) 8.121 18.248 ( 0.673 5.355 -5.098) 7.424 18.543 ( -4.682 6.088 -3.132) 8.294 19.072 ( 2.155 -7.434 4.067) 8.744 19.242 ( 1.359 -13.487 4.512) 14.286 19.485 ( 1.635 -0.226 0.306) 1.679 19.545 ( 1.607 -1.070 -0.602) 2.023 20.227 ( -1.818 -0.408 0.115) 1.867 20.253 ( -0.933 -0.684 0.091) 1.161 21.136 ( -0.042 21.304 1.541) 21.360 21.947 ( -3.350 17.345 -25.789) 31.259 23.100 ( -11.270 -10.126 22.835) 27.405 23.681 ( -4.661 -10.946 -0.100) 11.898 ======================= Grid point 145 (51/144) ======================= q-point: ( 0.20 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 11.418 16.369 3.106) 20.198 1.677 ( 11.167 19.689 16.234) 27.855 2.495 ( 5.447 27.184 -2.354) 27.824 2.617 ( 35.803 7.779 16.429) 40.153 2.811 ( 24.750 1.987 -3.995) 25.149 3.996 ( 4.753 -7.809 -11.651) 14.809 4.593 ( -1.793 -1.840 9.894) 10.222 4.726 ( 1.806 8.394 1.996) 8.815 5.337 ( 1.512 8.475 -24.537) 26.003 5.623 ( -2.901 -9.786 -3.546) 10.806 6.324 ( -1.138 -3.658 19.564) 19.936 6.481 ( 1.742 -9.820 0.615) 9.992 6.952 ( -0.787 3.908 -3.954) 5.614 7.228 ( -9.468 3.954 3.526) 10.849 7.545 ( -12.769 -0.917 -0.592) 12.816 7.883 ( -1.485 -0.071 -4.800) 5.025 8.265 ( -5.384 -0.111 7.505) 9.237 8.415 ( -5.068 2.149 -2.347) 5.984 8.490 ( 1.677 -0.354 -2.901) 3.370 8.945 ( 0.550 2.097 4.630) 5.112 9.097 ( -7.304 -5.683 4.579) 10.325 9.328 ( -6.561 -6.101 -3.337) 9.561 9.514 ( -6.997 0.953 4.435) 8.339 9.791 ( -1.918 -1.651 -4.647) 5.291 11.988 ( 3.912 4.012 2.733) 6.235 12.539 ( -4.050 5.890 -2.705) 7.643 13.296 ( 16.346 -13.937 -8.576) 23.130 13.617 ( 6.160 -4.761 -3.512) 8.541 15.243 ( -7.788 1.779 5.128) 9.493 15.610 ( -9.030 0.721 2.249) 9.333 15.868 ( -1.139 -5.123 1.847) 5.564 16.243 ( 7.214 -0.354 4.349) 8.431 16.475 ( 6.344 0.004 7.947) 10.168 16.874 ( 2.552 1.838 -0.348) 3.164 17.329 ( 15.577 -10.360 -6.001) 19.646 17.609 ( 8.448 -6.040 -0.148) 10.386 18.235 ( -2.684 7.987 -4.857) 9.726 18.469 ( -1.933 4.758 2.337) 5.642 19.122 ( 2.851 -15.168 -1.811) 15.540 19.275 ( 1.958 -13.180 3.385) 13.748 19.532 ( 3.108 -0.304 0.274) 3.135 19.587 ( 2.758 -0.886 -0.538) 2.947 20.176 ( -3.417 -0.490 0.176) 3.457 20.220 ( -2.561 -0.838 -0.061) 2.695 21.143 ( 1.059 21.535 1.628) 21.622 21.849 ( -6.545 20.290 -20.344) 29.468 22.899 ( -7.815 -6.339 20.640) 22.962 23.552 ( -8.401 -9.854 -0.743) 12.970 ======================= Grid point 146 (52/144) ======================= q-point: ( 0.30 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 17.587 12.671 -0.748) 21.689 1.874 ( 10.690 20.260 11.360) 25.569 2.572 ( 1.957 23.282 -3.419) 23.613 2.997 ( 0.990 -4.544 -4.006) 6.138 3.367 ( 30.654 2.855 7.945) 31.796 4.087 ( 2.705 -1.586 -0.981) 3.285 4.649 ( 8.946 6.721 6.733) 13.059 4.799 ( 6.306 2.473 0.077) 6.774 5.377 ( 2.040 8.244 -13.210) 15.705 5.563 ( -3.176 -7.966 -2.931) 9.063 6.342 ( 4.630 -0.646 15.156) 15.861 6.518 ( 2.048 -8.880 -3.731) 9.847 6.939 ( -0.503 1.463 -5.469) 5.684 7.092 ( -4.458 2.947 5.416) 7.608 7.325 ( -9.441 -0.603 1.906) 9.650 7.830 ( -5.902 -0.099 -5.920) 8.360 8.088 ( -10.318 -0.493 8.716) 13.516 8.296 ( -6.678 1.082 -0.867) 6.821 8.508 ( -0.026 -0.056 -4.977) 4.977 8.896 ( -6.114 -4.393 2.781) 8.026 9.007 ( -4.812 -1.730 -4.018) 6.503 9.211 ( -2.679 0.338 -1.016) 2.885 9.400 ( -4.659 -1.678 3.795) 6.239 9.775 ( 0.336 -1.817 -0.899) 2.055 12.066 ( 3.771 4.541 -0.322) 5.911 12.475 ( -2.407 8.033 1.084) 8.455 13.505 ( 6.529 -11.052 -10.662) 16.687 13.736 ( 5.578 -5.353 -0.410) 7.742 15.126 ( -4.229 2.005 5.013) 6.858 15.437 ( -8.627 2.018 4.786) 10.070 15.868 ( 0.864 -7.554 -3.887) 8.539 16.346 ( 3.572 -4.481 8.945) 10.623 16.568 ( 3.253 3.483 -1.315) 4.944 16.937 ( 3.512 3.569 5.899) 7.737 17.520 ( 5.554 -6.617 -10.411) 13.529 17.809 ( 9.596 -4.952 2.421) 11.067 18.172 ( -1.931 8.232 -1.292) 8.553 18.459 ( -0.108 2.847 3.361) 4.406 19.177 ( 2.729 -17.816 -3.864) 18.433 19.311 ( 1.461 -15.214 0.835) 15.307 19.606 ( 4.658 -0.325 0.216) 4.674 19.656 ( 4.575 -1.070 -0.425) 4.718 20.094 ( -5.128 -0.423 0.350) 5.158 20.152 ( -4.558 -1.221 -0.316) 4.729 21.185 ( 3.330 21.676 1.442) 21.977 21.705 ( -8.097 21.867 -12.077) 26.260 22.820 ( -0.510 -5.634 13.024) 14.199 23.370 ( -10.094 -8.470 -1.008) 13.216 ======================= Grid point 147 (53/144) ======================= q-point: ( 0.40 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 20.484 8.705 -4.231) 22.655 2.099 ( 11.991 19.013 4.626) 22.950 2.554 ( -3.935 18.907 -3.418) 19.613 2.839 ( -14.540 -3.529 -6.453) 16.294 3.785 ( 11.845 -2.860 4.764) 13.083 4.099 ( -0.108 2.210 6.787) 7.139 4.893 ( 12.307 19.856 4.413) 23.774 4.967 ( 11.815 -8.390 -3.169) 14.833 5.375 ( -2.570 8.659 2.719) 9.433 5.488 ( -5.423 -4.194 0.363) 6.865 6.513 ( 5.762 -9.222 -3.955) 11.571 6.602 ( 13.565 0.489 1.740) 13.685 6.935 ( 0.323 -0.634 -5.820) 5.863 7.049 ( -0.135 0.863 7.748) 7.797 7.191 ( -4.554 0.503 3.770) 5.933 7.563 ( -20.704 1.343 -1.183) 20.782 7.968 ( -2.529 -2.134 -0.978) 3.451 8.176 ( -5.048 0.041 1.335) 5.222 8.509 ( 0.740 -0.515 -5.320) 5.395 8.766 ( -7.549 -1.950 0.893) 7.847 8.877 ( -5.137 -1.917 -6.172) 8.256 9.201 ( -0.678 3.195 7.219) 7.923 9.350 ( -0.484 -6.239 -6.822) 9.257 9.795 ( 1.267 -0.182 4.072) 4.268 12.123 ( 2.054 4.864 -3.872) 6.547 12.445 ( -0.834 9.728 5.454) 11.184 13.587 ( 2.459 -9.364 -10.508) 14.288 13.817 ( 2.735 -4.860 0.793) 5.633 15.079 ( -0.752 1.552 4.219) 4.558 15.289 ( -6.198 2.965 7.099) 9.879 15.890 ( 1.100 -9.083 -8.191) 12.280 16.390 ( 1.279 -7.772 12.274) 14.584 16.609 ( 1.178 5.929 -6.298) 8.729 16.993 ( 2.011 5.542 9.381) 11.080 17.594 ( 2.504 -4.995 -11.189) 12.506 17.893 ( -0.246 0.850 -0.297) 0.933 18.223 ( 6.522 3.639 3.178) 8.117 18.438 ( -2.430 2.073 4.095) 5.194 19.224 ( 2.007 -18.114 -4.518) 18.777 19.324 ( -0.072 -15.790 -0.809) 15.811 19.713 ( 6.228 -0.422 0.147) 6.244 19.765 ( 6.575 -1.910 -0.600) 6.873 19.980 ( -6.428 -0.323 0.548) 6.460 20.045 ( -6.350 -1.743 -0.417) 6.598 21.272 ( 5.657 21.682 0.564) 22.415 21.547 ( -8.038 21.949 -5.452) 24.002 22.865 ( 4.700 -5.645 5.864) 9.399 23.174 ( -9.767 -7.144 -0.198) 12.102 ======================= Grid point 148 (54/144) ======================= q-point: (-0.50 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 0.000 11.062 -4.652) 12.001 2.304 ( 0.000 18.664 0.070) 18.664 2.454 ( -0.000 11.898 -6.067) 13.356 2.601 ( -0.000 -1.753 -2.761) 3.271 3.882 ( -0.000 -3.820 2.762) 4.714 4.101 ( -0.000 3.854 8.517) 9.349 5.002 ( 0.000 1.297 -8.432) 8.531 5.216 ( -0.000 11.980 9.666) 15.393 5.276 ( 0.000 8.085 4.651) 9.328 5.400 ( -0.000 -3.409 5.048) 6.091 6.542 ( 0.000 -10.155 -9.607) 13.979 6.846 ( -0.000 -4.698 -2.873) 5.507 7.045 ( -0.000 0.383 5.428) 5.442 7.090 ( -0.000 0.727 1.501) 1.668 7.093 ( 0.000 4.212 4.365) 6.065 7.193 ( 0.000 1.165 1.186) 1.662 7.945 ( 0.000 -2.458 -5.590) 6.107 8.125 ( -0.000 -0.384 3.089) 3.113 8.531 ( -0.000 -1.996 -4.882) 5.274 8.665 ( 0.000 0.956 -3.427) 3.558 8.834 ( 0.000 -2.062 -2.934) 3.586 9.188 ( 0.000 4.046 11.221) 11.928 9.351 ( 0.000 -8.335 -12.507) 15.029 9.809 ( -0.000 0.680 6.074) 6.112 12.143 ( 0.000 4.956 -5.561) 7.448 12.438 ( 0.000 10.367 7.464) 12.774 13.610 ( 0.000 -8.965 -10.352) 13.694 13.843 ( 0.000 -4.496 1.138) 4.638 15.079 ( 0.000 0.835 2.968) 3.083 15.221 ( 0.000 3.787 8.864) 9.639 15.902 ( 0.000 -9.613 -9.860) 13.771 16.402 ( 0.000 -8.994 13.473) 16.199 16.620 ( 0.000 6.769 -7.524) 10.121 17.012 ( 0.000 6.408 10.223) 12.065 17.619 ( 0.000 -4.586 -11.603) 12.477 17.879 ( -0.000 2.554 -0.569) 2.616 18.337 ( 0.000 3.428 2.469) 4.224 18.373 ( -0.000 0.691 6.082) 6.121 19.246 ( 0.000 -18.466 -5.101) 19.158 19.320 ( 0.000 -15.227 -0.826) 15.249 19.821 ( -0.000 -0.541 -0.802) 0.967 19.870 ( 0.000 -0.102 1.484) 1.487 19.882 ( -0.000 -2.513 -1.660) 3.012 19.931 ( 0.000 -1.942 0.505) 2.007 21.396 ( 0.000 21.070 -1.760) 21.144 21.400 ( -0.000 22.415 -1.230) 22.448 22.966 ( -0.000 -6.029 0.471) 6.048 23.024 ( 0.000 -6.250 3.006) 6.935 ======================= Grid point 154 (55/144) ======================= q-point: ( 0.00 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 0.000 12.546 8.066) 14.915 1.561 ( 0.000 23.471 -7.624) 24.678 1.953 ( 0.000 -2.501 -3.848) 4.589 2.583 ( 0.000 29.394 26.601) 39.644 2.987 ( 0.000 22.317 -12.493) 25.576 3.713 ( 0.000 -5.214 -9.542) 10.874 4.472 ( 0.000 -13.461 20.479) 24.507 4.918 ( 0.000 10.676 -4.128) 11.446 5.429 ( 0.000 -15.075 -2.098) 15.220 5.485 ( 0.000 6.576 -19.618) 20.691 6.205 ( 0.000 -7.898 15.205) 17.134 6.236 ( 0.000 -9.314 4.950) 10.548 7.119 ( 0.000 8.865 -7.519) 11.624 7.586 ( 0.000 5.020 8.285) 9.688 7.764 ( 0.000 -5.849 -9.190) 10.894 8.109 ( 0.000 4.922 0.865) 4.997 8.190 ( 0.000 -4.798 -7.333) 8.763 8.323 ( 0.000 4.627 0.128) 4.629 8.688 ( 0.000 2.439 2.771) 3.692 9.007 ( 0.000 -4.430 7.491) 8.703 9.108 ( 0.000 -7.709 3.393) 8.423 9.219 ( 0.000 -10.447 -1.208) 10.516 9.724 ( 0.000 -0.970 -0.375) 1.040 9.875 ( 0.000 0.696 -5.778) 5.820 12.024 ( 0.000 4.892 6.180) 7.882 12.466 ( 0.000 -2.952 6.779) 7.394 12.752 ( 0.000 5.413 -5.174) 7.488 13.360 ( 0.000 -6.417 -7.343) 9.751 15.575 ( 0.000 -0.099 3.009) 3.011 15.704 ( 0.000 -2.558 3.538) 4.366 15.991 ( 0.000 2.174 3.820) 4.395 16.046 ( 0.000 0.542 3.398) 3.441 16.212 ( 0.000 0.929 8.740) 8.789 16.616 ( 0.000 -5.334 -2.953) 6.097 16.903 ( 0.000 1.878 -3.180) 3.694 17.312 ( 0.000 -7.438 -5.097) 9.017 18.311 ( 0.000 2.955 -2.823) 4.087 18.642 ( 0.000 -1.776 -10.265) 10.417 19.039 ( 0.000 -2.584 8.200) 8.597 19.071 ( 0.000 2.487 4.998) 5.583 19.464 ( 0.000 -0.344 0.154) 0.376 19.500 ( 0.000 -1.511 -0.459) 1.580 20.238 ( 0.000 -0.421 0.097) 0.432 20.244 ( 0.000 -0.783 0.164) 0.800 21.531 ( 0.000 16.919 1.609) 16.995 22.176 ( 0.000 4.356 -14.567) 15.205 23.026 ( 0.000 -5.993 12.651) 13.999 23.477 ( 0.000 -12.294 -0.182) 12.296 ======================= Grid point 155 (56/144) ======================= q-point: ( 0.10 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 20.230 12.195 6.909) 24.611 1.630 ( 12.403 22.041 -5.226) 25.826 2.224 ( 23.930 -3.432 -3.008) 24.362 2.635 ( 7.056 27.457 23.068) 36.549 3.012 ( 2.612 21.645 -11.702) 24.744 3.735 ( 2.582 -4.933 -9.042) 10.619 4.447 ( -2.267 -13.237 19.554) 23.722 4.944 ( 2.397 11.764 -3.002) 12.375 5.408 ( -2.079 -15.236 -2.453) 15.571 5.491 ( 0.744 6.878 -19.598) 20.783 6.198 ( -0.367 -8.125 13.220) 15.522 6.255 ( 1.774 -8.527 6.685) 10.980 7.100 ( -2.024 7.763 -8.615) 11.772 7.480 ( -8.420 3.645 3.780) 9.923 7.738 ( -6.681 -3.302 -2.306) 7.801 7.978 ( -4.770 3.804 -3.455) 7.011 8.277 ( 2.124 -1.779 -2.341) 3.627 8.388 ( 5.636 1.948 0.443) 5.980 8.616 ( -6.393 3.183 1.333) 7.265 8.969 ( -2.699 -3.127 6.360) 7.584 9.075 ( -3.540 -6.960 4.771) 9.151 9.216 ( -0.654 -9.664 -1.415) 9.789 9.659 ( -5.856 0.004 0.624) 5.889 9.837 ( -3.831 -0.298 -5.907) 7.047 12.033 ( 1.950 5.914 4.819) 7.874 12.658 ( 13.343 -6.309 0.689) 14.776 12.743 ( 2.254 4.567 -2.474) 5.662 13.400 ( 3.797 -6.667 -5.961) 9.716 15.447 ( -8.867 1.603 3.802) 9.780 15.705 ( -2.719 -3.543 -0.029) 4.466 15.905 ( -6.531 1.007 6.879) 9.539 16.110 ( 4.893 -0.244 3.400) 5.963 16.319 ( 9.255 1.325 7.075) 11.725 16.762 ( 12.892 -5.687 -4.553) 14.808 16.923 ( 3.007 1.091 -1.659) 3.604 17.356 ( 4.344 -7.132 -4.404) 9.441 18.331 ( 1.869 3.233 -3.038) 4.814 18.633 ( -1.200 0.845 -8.220) 8.350 18.954 ( -5.071 -2.592 6.242) 8.450 19.106 ( 0.780 -1.223 4.995) 5.201 19.479 ( 1.566 -0.405 0.200) 1.630 19.520 ( 1.899 -1.239 -0.428) 2.307 20.217 ( -1.924 -0.487 -0.001) 1.985 20.238 ( -1.022 -0.807 0.223) 1.321 21.533 ( 0.318 17.154 1.672) 17.238 22.173 ( -0.432 5.516 -14.940) 15.931 22.945 ( -7.563 -4.630 13.778) 16.385 23.438 ( -3.979 -12.092 -0.423) 12.736 ======================= Grid point 156 (57/144) ======================= q-point: ( 0.20 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 8.519 19.675 -4.070) 21.823 2.043 ( 16.861 16.145 12.299) 26.387 2.637 ( 14.770 -3.910 -1.649) 15.367 2.965 ( 25.472 17.703 8.621) 32.196 3.096 ( 6.699 20.063 -5.533) 21.864 3.836 ( 8.542 -4.586 -8.059) 12.607 4.413 ( -0.003 -11.836 17.147) 20.835 5.003 ( 3.636 14.191 -2.083) 14.797 5.359 ( -2.618 -15.045 -2.685) 15.506 5.523 ( 2.759 7.657 -17.708) 19.489 6.199 ( 0.597 -7.832 11.194) 13.675 6.301 ( 3.036 -7.336 6.901) 10.520 7.041 ( -4.020 4.477 -10.072) 11.732 7.307 ( -8.844 3.731 0.809) 9.632 7.540 ( -11.028 1.045 3.338) 11.569 7.925 ( -2.260 3.702 -4.116) 5.979 8.254 ( -4.919 -1.191 4.915) 7.055 8.468 ( -0.832 1.807 -3.691) 4.193 8.487 ( -3.819 1.043 0.642) 4.010 8.903 ( -5.300 -5.388 1.991) 7.816 9.008 ( -1.966 -3.281 3.970) 5.513 9.187 ( -2.107 -6.947 -2.418) 7.652 9.530 ( -7.071 0.763 3.903) 8.112 9.752 ( -3.839 -2.316 -3.724) 5.828 12.104 ( 4.898 7.253 1.527) 8.884 12.684 ( -1.363 7.845 -2.859) 8.460 13.023 ( 15.533 -12.286 -3.404) 20.095 13.492 ( 5.360 -7.322 -2.568) 9.431 15.289 ( -7.075 2.766 3.557) 8.388 15.618 ( -5.739 -0.840 -1.374) 5.960 15.781 ( -5.440 -2.324 5.596) 8.143 16.178 ( 1.826 -5.458 7.539) 9.485 16.520 ( 10.362 4.130 0.850) 11.187 16.930 ( 4.734 3.359 -1.618) 6.026 17.130 ( 15.759 -8.760 -4.322) 18.541 17.475 ( 8.146 -6.907 -1.218) 10.749 18.364 ( 0.864 4.705 -3.799) 6.108 18.585 ( -3.563 5.608 -0.933) 6.710 18.889 ( -1.214 -7.623 0.751) 7.755 19.100 ( -1.031 -4.728 3.532) 5.991 19.524 ( 3.094 -0.374 0.185) 3.122 19.567 ( 2.918 -0.991 -0.377) 3.105 20.165 ( -3.415 -0.487 -0.028) 3.450 20.201 ( -2.852 -1.032 0.154) 3.037 21.549 ( 1.507 17.702 1.784) 17.855 22.151 ( -2.147 9.336 -14.696) 17.543 22.785 ( -7.512 -3.962 14.697) 16.975 23.328 ( -7.167 -11.414 -0.879) 13.506 ======================= Grid point 157 (58/144) ======================= q-point: ( 0.30 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 13.126 16.833 -3.263) 21.594 2.264 ( 8.894 17.042 12.807) 23.099 2.771 ( 0.147 -5.352 -6.490) 8.413 3.137 ( -2.035 17.085 0.790) 17.224 3.500 ( 23.259 9.826 3.063) 25.434 4.025 ( 8.214 -2.425 0.314) 8.571 4.521 ( 12.051 -9.606 6.887) 16.879 5.092 ( 5.998 15.116 -2.352) 16.431 5.321 ( -0.837 -12.090 -0.314) 12.123 5.598 ( 4.533 9.371 -11.013) 15.154 6.232 ( 2.992 -8.555 4.481) 10.110 6.381 ( 5.765 -5.261 6.996) 10.481 6.958 ( -3.920 0.930 -7.955) 8.917 7.154 ( -6.583 1.773 -1.707) 7.027 7.362 ( -7.001 5.275 6.060) 10.656 7.857 ( -6.456 2.434 -4.722) 8.361 8.094 ( -9.999 1.090 6.928) 12.213 8.328 ( -7.882 2.220 -0.676) 8.217 8.495 ( -0.444 -1.541 -3.498) 3.848 8.791 ( -5.071 -5.771 3.112) 8.289 8.953 ( -5.161 -3.022 -5.563) 8.168 9.161 ( -0.056 -4.743 -5.675) 7.396 9.394 ( -6.470 1.188 7.376) 9.883 9.722 ( 0.783 -3.455 3.916) 5.281 12.201 ( 4.719 8.626 -2.995) 10.278 12.668 ( -0.201 10.474 1.576) 10.594 13.255 ( 8.488 -12.889 -8.704) 17.718 13.597 ( 5.136 -8.186 1.183) 9.736 15.179 ( -4.207 3.245 2.775) 5.995 15.491 ( -7.008 3.003 2.724) 8.096 15.713 ( -1.766 -7.031 -1.044) 7.324 16.188 ( -0.416 -9.572 10.434) 14.166 16.684 ( 6.243 6.878 -5.255) 10.672 17.029 ( 5.437 5.353 4.546) 8.882 17.367 ( 8.082 -8.097 -10.140) 15.287 17.676 ( 11.510 -7.739 3.996) 14.434 18.346 ( -2.196 7.949 -2.981) 8.769 18.529 ( -1.846 4.382 3.447) 5.873 18.896 ( 1.380 -9.853 -3.792) 10.647 19.079 ( -1.017 -8.012 1.923) 8.302 19.598 ( 4.593 -0.382 0.082) 4.609 19.636 ( 4.313 -0.951 -0.308) 4.427 20.084 ( -5.058 -0.473 0.076) 5.080 20.126 ( -4.920 -1.290 -0.016) 5.087 21.597 ( 3.545 18.195 1.694) 18.615 22.078 ( -5.528 14.485 -10.280) 18.603 22.696 ( -1.279 -6.034 10.787) 12.427 23.172 ( -8.700 -10.404 -1.078) 13.605 ======================= Grid point 158 (59/144) ======================= q-point: ( 0.40 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 15.005 12.409 -1.337) 19.518 2.448 ( 10.611 13.469 6.333) 18.279 2.693 ( -7.327 -3.600 -3.385) 8.838 2.995 ( -11.273 14.538 1.312) 18.444 3.798 ( 7.853 4.596 -1.593) 9.237 4.143 ( 4.663 3.542 9.325) 11.011 4.764 ( 9.418 -10.517 -7.384) 15.932 5.220 ( 5.032 0.993 0.684) 5.174 5.361 ( 6.454 5.370 4.531) 9.540 5.655 ( 0.178 13.239 0.226) 13.242 6.295 ( 2.532 -10.748 -7.346) 13.263 6.558 ( 11.889 -5.420 6.609) 14.642 6.923 ( 2.029 0.624 -4.675) 5.134 7.079 ( -0.635 0.807 0.473) 1.131 7.254 ( -4.769 5.728 4.905) 8.923 7.591 ( -19.943 1.173 -0.393) 19.981 7.966 ( -3.581 2.123 -1.389) 4.389 8.193 ( -5.305 2.018 2.060) 6.038 8.478 ( -0.783 -2.955 -4.575) 5.502 8.713 ( -3.392 -3.433 3.636) 6.042 8.838 ( -4.990 -1.612 -9.936) 11.235 9.169 ( 0.454 -6.894 -10.801) 12.822 9.298 ( -3.290 2.594 11.166) 11.926 9.756 ( 1.966 -3.641 10.010) 10.831 12.274 ( 2.608 9.664 -7.419) 12.460 12.671 ( 0.374 12.079 6.140) 13.555 13.365 ( 3.370 -12.008 -10.991) 16.624 13.678 ( 2.996 -8.593 3.169) 9.637 15.126 ( -1.375 3.131 1.320) 3.666 15.369 ( -5.044 4.821 6.727) 9.692 15.698 ( -0.142 -9.337 -6.715) 11.502 16.175 ( -0.749 -11.984 12.745) 17.511 16.766 ( 2.533 8.475 -8.073) 11.975 17.120 ( 3.501 6.855 7.758) 10.928 17.471 ( 3.339 -6.888 -11.553) 13.859 17.844 ( 4.850 -5.788 5.171) 9.152 18.335 ( 2.022 6.818 -0.146) 7.112 18.491 ( -2.634 3.611 3.002) 5.384 18.925 ( 1.350 -10.734 -5.536) 12.153 19.063 ( -0.563 -9.874 0.598) 9.908 19.703 ( 6.160 -0.476 -0.092) 6.179 19.736 ( 5.994 -1.155 -0.407) 6.118 19.972 ( -6.368 -0.461 0.279) 6.391 20.013 ( -6.605 -1.452 -0.029) 6.763 21.686 ( 5.545 18.319 1.001) 19.166 21.950 ( -7.228 17.272 -4.152) 19.178 22.729 ( 4.239 -7.431 4.665) 9.744 23.002 ( -8.578 -9.351 -0.532) 12.701 ======================= Grid point 159 (60/144) ======================= q-point: (-0.50 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 0.000 9.067 -1.833) 9.250 2.549 ( -0.000 -0.107 3.469) 3.471 2.628 ( 0.000 8.744 -2.970) 9.234 2.805 ( -0.000 15.684 3.776) 16.132 3.863 ( -0.000 3.238 -2.867) 4.325 4.191 ( 0.000 5.940 10.540) 12.099 4.850 ( 0.000 -11.315 -13.553) 17.655 5.259 ( -0.000 -7.755 6.019) 9.817 5.487 ( 0.000 11.113 2.236) 11.336 5.621 ( 0.000 19.379 7.667) 20.841 6.318 ( 0.000 -11.065 -11.221) 15.759 6.689 ( -0.000 -9.366 3.260) 9.918 7.072 ( -0.000 1.792 -1.961) 2.657 7.127 ( -0.000 2.302 1.285) 2.636 7.180 ( 0.000 3.892 3.504) 5.237 7.235 ( 0.000 2.593 2.837) 3.843 7.927 ( 0.000 1.033 -6.308) 6.392 8.143 ( -0.000 2.730 4.324) 5.113 8.472 ( 0.000 -4.195 -4.820) 6.390 8.671 ( 0.000 -0.806 1.497) 1.700 8.792 ( 0.000 -1.723 -8.652) 8.822 9.174 ( 0.000 -8.666 -13.744) 16.248 9.267 ( 0.000 4.025 13.606) 14.189 9.778 ( -0.000 -3.716 11.859) 12.427 12.299 ( 0.000 10.048 -9.270) 13.671 12.676 ( 0.000 12.614 8.063) 14.971 13.397 ( 0.000 -11.667 -11.474) 16.364 13.707 ( 0.000 -8.613 3.648) 9.353 15.116 ( 0.000 2.829 0.078) 2.830 15.316 ( 0.000 5.542 8.736) 10.346 15.698 ( 0.000 -10.007 -8.854) 13.362 16.167 ( 0.000 -12.783 13.787) 18.801 16.790 ( 0.000 8.956 -8.643) 12.447 17.155 ( 0.000 7.506 8.519) 11.354 17.504 ( 0.000 -6.631 -11.925) 13.644 17.881 ( -0.000 -3.432 5.166) 6.202 18.393 ( 0.000 2.280 1.754) 2.876 18.436 ( -0.000 6.011 2.127) 6.376 18.940 ( 0.000 -11.135 -6.043) 12.669 19.058 ( 0.000 -10.295 0.149) 10.296 19.809 ( -0.000 -0.525 -1.161) 1.274 19.842 ( -0.000 -1.533 -1.516) 2.156 19.864 ( 0.000 -0.447 1.335) 1.408 19.900 ( 0.000 -1.310 1.032) 1.668 21.794 ( 0.000 17.544 -1.420) 17.602 21.825 ( -0.000 18.696 0.212) 18.697 22.827 ( -0.000 -7.482 0.224) 7.486 22.864 ( 0.000 -9.142 1.870) 9.332 ======================= Grid point 165 (61/144) ======================= q-point: ( 0.00 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 0.000 11.440 2.620) 11.736 1.802 ( 0.000 -4.690 -5.299) 7.076 2.126 ( 0.000 23.423 -15.544) 28.112 3.023 ( 0.000 -14.648 -27.972) 31.575 3.163 ( 0.000 26.682 24.637) 36.317 3.941 ( 0.000 19.333 6.875) 20.519 4.151 ( 0.000 -13.609 18.332) 22.831 4.976 ( 0.000 -15.986 -4.789) 16.688 5.230 ( 0.000 6.445 2.734) 7.001 5.545 ( 0.000 -1.431 -8.516) 8.635 6.062 ( 0.000 -5.165 10.066) 11.314 6.082 ( 0.000 -5.458 4.632) 7.158 7.314 ( 0.000 9.297 -14.866) 17.534 7.633 ( 0.000 -6.712 -12.028) 13.774 7.727 ( 0.000 8.506 5.952) 10.382 8.073 ( 0.000 -6.608 -6.420) 9.213 8.221 ( 0.000 5.806 5.490) 7.990 8.377 ( 0.000 0.435 6.250) 6.265 8.752 ( 0.000 3.607 3.332) 4.910 8.921 ( 0.000 -3.314 3.875) 5.099 8.958 ( 0.000 -6.616 4.600) 8.058 9.024 ( 0.000 -8.070 -1.665) 8.240 9.742 ( 0.000 2.388 -4.200) 4.831 9.862 ( 0.000 -1.902 -6.310) 6.590 12.138 ( 0.000 6.050 6.139) 8.619 12.383 ( 0.000 -5.010 6.548) 8.244 12.883 ( 0.000 7.210 -5.388) 9.001 13.211 ( 0.000 -7.886 -6.385) 10.147 15.582 ( 0.000 0.828 2.946) 3.060 15.652 ( 0.000 -2.375 2.897) 3.746 16.027 ( 0.000 1.250 4.998) 5.152 16.051 ( 0.000 -0.022 3.831) 3.831 16.270 ( 0.000 4.331 2.543) 5.022 16.498 ( 0.000 -5.952 -2.104) 6.313 16.957 ( 0.000 3.386 -4.239) 5.425 17.165 ( 0.000 -6.632 -5.403) 8.554 18.372 ( 0.000 3.189 -2.810) 4.251 18.551 ( 0.000 -5.476 -6.684) 8.641 19.071 ( 0.000 3.474 5.724) 6.696 19.121 ( 0.000 1.787 3.643) 4.058 19.456 ( 0.000 -0.394 0.073) 0.401 19.470 ( 0.000 -1.276 -0.212) 1.294 20.230 ( 0.000 -0.366 0.022) 0.367 20.231 ( 0.000 -0.476 0.121) 0.491 21.835 ( 0.000 12.678 1.144) 12.730 22.182 ( 0.000 -3.392 -5.287) 6.282 22.979 ( 0.000 1.174 5.053) 5.187 23.239 ( 0.000 -10.372 -0.040) 10.372 ======================= Grid point 166 (62/144) ======================= q-point: ( 0.10 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 23.933 10.305 3.590) 26.303 2.036 ( 17.544 4.599 -8.736) 20.131 2.212 ( 12.206 13.699 -9.326) 20.582 3.047 ( 3.134 -12.676 -24.302) 27.588 3.189 ( 3.447 24.038 20.695) 31.906 3.945 ( 0.317 15.676 7.675) 17.457 4.146 ( -0.065 -10.020 16.061) 18.931 4.987 ( 0.836 -18.212 -3.833) 18.630 5.236 ( 0.909 9.155 1.111) 9.267 5.559 ( 1.583 -1.047 -9.262) 9.454 6.056 ( -0.096 -4.666 8.618) 9.801 6.106 ( 2.149 -5.821 6.974) 9.335 7.266 ( -4.898 7.857 -14.391) 17.112 7.519 ( -8.773 -2.254 -8.298) 12.284 7.734 ( -2.475 5.333 4.462) 7.381 8.020 ( -2.610 -1.619 -6.026) 6.764 8.253 ( 1.023 1.483 3.728) 4.140 8.408 ( 2.651 -0.808 5.893) 6.512 8.693 ( -5.553 4.114 2.058) 7.211 8.886 ( -3.637 -4.451 3.093) 6.527 8.950 ( -0.625 -4.563 4.653) 6.547 9.037 ( 1.264 -7.248 -0.903) 7.413 9.683 ( -5.535 2.341 -2.510) 6.513 9.809 ( -5.167 -2.366 -5.667) 8.025 12.173 ( 3.889 7.510 4.410) 9.538 12.502 ( 10.798 -7.945 3.412) 13.833 12.886 ( 0.475 8.076 -4.067) 9.055 13.244 ( 3.079 -8.379 -5.094) 10.278 15.489 ( -7.018 2.528 2.923) 8.011 15.627 ( -3.283 -3.890 1.098) 5.207 15.943 ( -6.417 2.604 5.496) 8.841 16.073 ( 0.085 -2.884 4.927) 5.710 16.387 ( 10.842 4.790 1.533) 11.952 16.633 ( 12.627 -6.504 -2.739) 14.465 16.980 ( 2.541 4.043 -3.397) 5.860 17.211 ( 4.500 -6.756 -4.601) 9.331 18.396 ( 2.307 3.302 -2.882) 4.952 18.571 ( 2.000 -4.966 -6.513) 8.431 18.993 ( -6.532 4.367 5.580) 9.637 19.104 ( -2.512 -0.179 3.589) 4.384 19.471 ( 1.751 -0.159 0.119) 1.762 19.496 ( 2.199 -1.126 -0.178) 2.476 20.209 ( -1.825 -0.187 -0.029) 1.835 20.221 ( -1.272 -0.708 0.146) 1.463 21.843 ( 0.835 12.939 1.200) 13.021 22.193 ( 1.228 -3.097 -5.545) 6.469 22.918 ( -5.902 2.051 5.521) 8.338 23.202 ( -3.839 -10.505 -0.188) 11.186 ======================= Grid point 167 (63/144) ======================= q-point: ( 0.20 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 9.721 15.095 -4.872) 18.603 2.382 ( 18.060 14.925 1.202) 23.460 2.526 ( 11.453 -3.292 -1.742) 12.043 3.185 ( 9.831 -11.008 -15.059) 21.086 3.357 ( 16.161 19.562 12.590) 28.326 3.973 ( 4.093 9.079 5.268) 11.266 4.174 ( 3.671 -3.474 12.015) 13.035 4.992 ( -0.524 -20.058 -2.131) 20.177 5.283 ( 4.296 12.514 -2.426) 13.451 5.613 ( 4.275 -0.125 -10.225) 11.083 6.064 ( 0.914 -3.828 8.135) 9.037 6.163 ( 3.785 -6.118 8.815) 11.378 7.137 ( -7.766 5.007 -11.947) 15.103 7.327 ( -10.589 -2.370 -7.536) 13.211 7.645 ( -5.401 9.233 4.963) 11.792 7.980 ( -2.695 -0.851 -6.266) 6.874 8.239 ( -2.529 1.612 5.760) 6.494 8.448 ( 0.851 -2.924 3.116) 4.357 8.557 ( -8.093 4.264 0.362) 9.155 8.776 ( -7.055 -6.339 2.236) 9.744 8.948 ( -0.286 -1.776 0.812) 1.974 9.057 ( 0.447 -5.579 -1.437) 5.778 9.558 ( -6.761 2.120 2.349) 7.465 9.692 ( -5.631 -3.412 -1.855) 6.840 12.282 ( 6.883 9.874 0.203) 12.038 12.730 ( 11.048 -9.418 -3.722) 14.987 12.912 ( 2.631 7.391 -0.013) 7.846 13.318 ( 4.301 -9.441 -1.923) 10.551 15.358 ( -6.102 3.912 2.052) 7.533 15.552 ( -3.718 -4.801 -1.288) 6.208 15.801 ( -7.880 3.684 6.051) 10.596 16.045 ( -2.759 -6.987 6.589) 9.992 16.629 ( 12.765 6.149 -1.469) 14.245 16.921 ( 15.208 -6.828 -4.857) 17.363 17.058 ( 5.616 4.268 -0.528) 7.073 17.328 ( 7.481 -7.259 -1.711) 10.563 18.448 ( 2.635 3.856 -3.176) 5.648 18.617 ( 2.298 -3.040 -5.773) 6.917 18.853 ( -7.206 3.947 5.341) 9.800 19.031 ( -4.493 -2.949 3.042) 6.175 19.520 ( 3.154 0.048 0.118) 3.157 19.547 ( 3.056 -0.991 -0.175) 3.218 20.159 ( -3.387 -0.071 -0.075) 3.389 20.180 ( -3.105 -0.958 0.130) 3.251 21.871 ( 2.230 13.582 1.329) 13.828 22.229 ( 2.396 -1.796 -6.278) 6.956 22.772 ( -8.597 3.161 6.625) 11.305 23.097 ( -6.718 -10.694 -0.503) 12.639 ======================= Grid point 168 (64/144) ======================= q-point: ( 0.30 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 9.878 14.433 -5.171) 18.239 2.598 ( 3.476 14.917 10.150) 18.375 2.631 ( 3.470 -5.389 -2.001) 6.715 3.265 ( -2.918 -6.965 1.357) 7.673 3.751 ( 19.002 13.585 1.719) 23.421 4.128 ( 9.925 11.596 -1.456) 15.332 4.323 ( 12.079 -7.265 6.594) 15.562 4.979 ( -0.162 -17.817 -0.357) 17.821 5.410 ( 8.854 12.615 -4.791) 16.139 5.732 ( 7.946 1.519 -8.933) 12.052 6.090 ( 1.586 -3.118 5.533) 6.546 6.259 ( 6.337 -6.510 9.939) 13.465 6.997 ( -5.757 2.994 -8.285) 10.523 7.140 ( -7.731 -2.546 -5.605) 9.883 7.540 ( -5.804 10.684 3.396) 12.624 7.875 ( -9.361 -2.253 -3.531) 10.255 8.157 ( -5.351 5.625 5.019) 9.245 8.388 ( -7.940 2.894 0.399) 8.461 8.436 ( -2.722 -3.457 -1.503) 4.650 8.657 ( -4.314 -7.233 2.882) 8.901 8.912 ( -3.551 -0.324 -5.728) 6.747 9.048 ( -1.298 -5.627 -7.261) 9.278 9.441 ( -4.756 3.297 8.638) 10.397 9.633 ( -0.390 -4.997 7.254) 8.817 12.415 ( 6.322 11.870 -5.030) 14.359 12.877 ( 4.180 5.202 -2.433) 7.103 13.003 ( 6.163 -7.018 -2.807) 9.753 13.401 ( 4.134 -10.617 1.919) 11.554 15.261 ( -3.812 4.721 0.588) 6.097 15.495 ( -2.138 -4.670 -3.264) 6.085 15.653 ( -7.161 3.491 6.346) 10.185 15.981 ( -3.498 -10.117 8.511) 13.676 16.838 ( 8.231 7.906 -5.875) 12.836 17.146 ( 8.157 3.072 -0.492) 8.731 17.204 ( 8.117 -4.701 -4.556) 10.428 17.502 ( 10.194 -8.774 3.632) 13.931 18.482 ( 0.617 5.474 -3.515) 6.534 18.633 ( -1.302 3.499 -0.942) 3.850 18.756 ( -1.774 -2.604 0.547) 3.198 18.948 ( -3.764 -5.494 2.251) 7.030 19.594 ( 4.516 0.015 0.027) 4.516 19.617 ( 4.294 -0.917 -0.177) 4.394 20.077 ( -5.078 -0.069 -0.032) 5.079 20.100 ( -5.084 -1.107 0.065) 5.203 21.932 ( 4.062 14.287 1.375) 14.917 22.276 ( 1.842 2.835 -7.065) 7.833 22.615 ( -6.587 0.552 7.660) 10.118 22.952 ( -8.014 -10.692 -0.736) 13.382 ======================= Grid point 169 (65/144) ======================= q-point: ( 0.40 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 10.706 11.114 -0.527) 15.440 2.611 ( 0.154 -0.722 -1.906) 2.044 2.683 ( 1.510 8.256 10.585) 13.508 3.123 ( -9.935 -3.199 6.689) 12.396 3.981 ( 5.599 12.370 -6.227) 14.938 4.309 ( 7.798 12.681 6.001) 16.051 4.534 ( 6.973 -11.433 -7.415) 15.308 5.003 ( 2.440 -14.962 4.866) 15.921 5.602 ( 9.458 11.523 -5.741) 15.975 5.893 ( 7.659 6.567 -2.065) 10.298 6.112 ( 0.193 -4.279 -1.956) 4.709 6.405 ( 7.615 -8.700 8.557) 14.384 6.962 ( 3.756 2.733 -4.597) 6.535 7.069 ( 1.224 -1.579 -2.563) 3.250 7.402 ( -8.767 7.706 2.882) 12.023 7.597 ( -18.455 -1.014 0.684) 18.495 8.055 ( -4.918 6.204 -2.897) 8.430 8.272 ( -3.245 5.362 2.791) 6.860 8.379 ( -2.794 -6.200 -4.131) 7.957 8.608 ( -1.236 -6.930 4.584) 8.400 8.833 ( -3.686 1.447 -10.726) 11.434 9.019 ( -1.365 -6.948 -12.291) 14.185 9.382 ( -1.575 5.261 14.083) 15.116 9.650 ( 1.319 -6.371 13.651) 15.122 12.512 ( 3.463 13.084 -9.539) 16.559 12.931 ( 1.851 12.326 5.082) 13.460 13.101 ( 3.401 -12.940 -9.846) 16.612 13.469 ( 2.597 -11.494 4.662) 12.672 15.211 ( -1.503 5.071 -1.418) 5.476 15.467 ( -0.971 -0.337 -0.613) 1.197 15.538 ( -4.257 -0.850 2.597) 5.059 15.922 ( -2.334 -12.130 10.762) 16.383 16.947 ( 3.404 8.966 -8.338) 12.708 17.274 ( 4.918 7.016 4.874) 9.857 17.316 ( 3.554 -6.923 -8.821) 11.763 17.675 ( 6.440 -9.831 6.564) 13.462 18.480 ( -0.108 6.909 -2.638) 7.396 18.597 ( -1.726 6.311 2.053) 6.857 18.755 ( 0.521 -6.484 -4.085) 7.681 18.894 ( -1.711 -7.134 1.305) 7.451 19.696 ( 6.035 -0.118 -0.168) 6.039 19.715 ( 5.822 -0.911 -0.307) 5.900 19.965 ( -6.420 -0.139 0.136) 6.423 19.986 ( -6.591 -1.117 0.137) 6.686 22.026 ( 5.589 14.764 0.995) 15.818 22.260 ( -4.006 12.370 -3.718) 13.524 22.564 ( 1.861 -7.926 4.501) 9.303 22.796 ( -7.887 -10.494 -0.572) 13.140 ======================= Grid point 170 (66/144) ======================= q-point: (-0.50 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 0.000 2.135 2.088) 2.987 2.628 ( -0.000 12.798 6.418) 14.317 2.705 ( 0.000 -1.167 -1.062) 1.578 2.984 ( -0.000 1.001 10.019) 10.068 4.027 ( 0.000 11.846 -8.147) 14.377 4.388 ( 0.000 13.469 8.612) 15.987 4.592 ( 0.000 -13.433 -13.574) 19.097 5.035 ( 0.000 -13.687 7.843) 15.775 5.704 ( 0.000 9.858 -6.246) 11.670 5.985 ( -0.000 15.446 7.989) 17.390 6.100 ( 0.000 -10.036 -11.508) 15.269 6.484 ( -0.000 -10.323 6.141) 12.012 7.116 ( -0.000 2.353 -3.924) 4.575 7.163 ( 0.000 0.841 -1.245) 1.502 7.248 ( 0.000 2.690 3.020) 4.044 7.280 ( -0.000 1.403 3.854) 4.101 7.999 ( 0.000 6.050 -6.559) 8.923 8.249 ( -0.000 7.421 5.031) 8.966 8.347 ( 0.000 -7.862 -5.527) 9.610 8.597 ( 0.000 -6.515 5.117) 8.284 8.795 ( 0.000 2.220 -12.164) 12.365 9.005 ( 0.000 -7.507 -13.754) 15.669 9.369 ( 0.000 6.021 15.825) 16.932 9.665 ( 0.000 -6.878 15.498) 16.956 12.545 ( 0.000 13.471 -11.294) 17.579 12.949 ( 0.000 13.710 7.763) 15.755 13.133 ( 0.000 -13.768 -11.940) 18.224 13.495 ( 0.000 -11.779 5.509) 13.003 15.197 ( 0.000 5.098 -2.669) 5.755 15.455 ( 0.000 8.093 9.003) 12.106 15.498 ( 0.000 -9.183 -7.206) 11.673 15.898 ( 0.000 -12.849 11.897) 17.511 16.979 ( 0.000 9.283 -8.822) 12.806 17.324 ( -0.000 8.982 7.341) 11.600 17.349 ( 0.000 -8.274 -10.882) 13.670 17.736 ( 0.000 -9.656 7.412) 12.173 18.484 ( 0.000 6.092 -2.089) 6.440 18.576 ( 0.000 7.330 1.786) 7.544 18.761 ( 0.000 -7.106 -4.753) 8.549 18.879 ( -0.000 -7.579 0.820) 7.623 19.801 ( -0.000 -0.199 -1.276) 1.292 19.817 ( 0.000 -0.959 -1.405) 1.701 19.856 ( 0.000 -0.193 1.216) 1.231 19.875 ( -0.000 -1.047 1.224) 1.611 22.125 ( 0.000 14.747 -1.100) 14.788 22.170 ( -0.000 14.895 1.074) 14.934 22.653 ( -0.000 -11.145 0.556) 11.159 22.656 ( 0.000 -9.208 0.657) 9.232 ======================= Grid point 176 (67/144) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 0.000 -9.306 -1.411) 9.412 1.647 ( 0.000 9.306 -1.411) 9.412 2.618 ( 0.000 -22.785 -24.150) 33.202 2.618 ( 0.000 22.785 -24.150) 33.202 3.677 ( 0.000 -23.003 24.016) 33.255 3.677 ( 0.000 23.003 24.016) 33.255 4.516 ( 0.000 -25.261 -0.635) 25.269 4.516 ( 0.000 25.261 -0.635) 25.269 5.428 ( 0.000 -9.062 -0.448) 9.073 5.428 ( 0.000 9.062 -0.448) 9.073 6.016 ( 0.000 -0.726 5.537) 5.585 6.016 ( 0.000 0.726 5.537) 5.585 7.487 ( 0.000 -7.575 -15.000) 16.804 7.487 ( 0.000 7.575 -15.000) 16.804 7.913 ( 0.000 -8.848 -1.870) 9.043 7.913 ( 0.000 8.848 -1.870) 9.043 8.334 ( 0.000 -4.420 9.052) 10.074 8.334 ( 0.000 4.420 9.052) 10.074 8.839 ( 0.000 -4.975 5.514) 7.426 8.839 ( 0.000 4.975 5.514) 7.426 8.907 ( 0.000 -2.631 -1.122) 2.860 8.907 ( 0.000 2.631 -1.122) 2.860 9.805 ( 0.000 -3.315 -5.995) 6.850 9.805 ( 0.000 3.315 -5.995) 6.850 12.266 ( 0.000 -6.160 6.288) 8.802 12.266 ( 0.000 6.160 6.288) 8.802 13.044 ( 0.000 -8.184 -5.747) 10.000 13.044 ( 0.000 8.184 -5.747) 10.000 15.609 ( 0.000 -1.758 2.878) 3.372 15.609 ( 0.000 1.758 2.878) 3.372 16.045 ( 0.000 -0.576 4.520) 4.556 16.045 ( 0.000 0.576 4.520) 4.556 16.376 ( 0.000 -5.756 -0.515) 5.779 16.376 ( 0.000 5.756 -0.515) 5.779 17.044 ( 0.000 -5.067 -5.051) 7.154 17.044 ( 0.000 5.067 -5.051) 7.154 18.448 ( 0.000 -4.321 -4.010) 5.895 18.448 ( 0.000 4.321 -4.010) 5.895 19.127 ( 0.000 -1.396 3.906) 4.148 19.127 ( 0.000 1.396 3.906) 4.148 19.453 ( 0.000 -0.256 -0.019) 0.256 19.453 ( 0.000 0.256 -0.019) 0.256 20.226 ( 0.000 -0.002 0.029) 0.029 20.226 ( 0.000 0.002 0.029) 0.029 22.055 ( 0.000 -8.594 -0.561) 8.613 22.055 ( 0.000 8.594 -0.561) 8.613 23.062 ( 0.000 -6.595 1.187) 6.701 23.062 ( 0.000 6.595 1.187) 6.701 ======================= Grid point 178 (68/144) ======================= q-point: ( 0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 23.464 -8.654 -0.393) 25.012 1.923 ( 23.464 8.654 -0.393) 25.012 2.658 ( 4.849 -22.170 -22.089) 31.669 2.658 ( 4.849 22.170 -22.089) 31.669 3.674 ( 0.335 -21.873 22.520) 31.396 3.674 ( 0.335 21.873 22.520) 31.396 4.523 ( 0.662 -24.784 -0.740) 24.804 4.523 ( 0.662 24.784 -0.740) 24.804 5.447 ( 2.010 -9.008 -1.699) 9.385 5.447 ( 2.010 9.008 -1.699) 9.385 6.026 ( 1.131 -1.605 6.295) 6.594 6.026 ( 1.131 1.605 6.295) 6.594 7.415 ( -7.018 -6.560 -13.220) 16.342 7.415 ( -7.018 6.560 -13.220) 16.342 7.901 ( -1.399 -8.506 -2.497) 8.975 7.901 ( -1.399 8.506 -2.497) 8.975 8.340 ( 0.501 -5.210 7.839) 9.426 8.340 ( 0.501 5.210 7.839) 9.426 8.786 ( -5.112 -4.964 4.013) 8.178 8.786 ( -5.112 4.964 4.013) 8.178 8.930 ( 1.921 -2.702 0.216) 3.323 8.930 ( 1.921 2.702 0.216) 3.323 9.746 ( -5.654 -3.417 -4.628) 8.066 9.746 ( -5.654 3.417 -4.628) 8.066 12.336 ( 6.807 -8.151 4.015) 11.353 12.336 ( 6.807 8.151 4.015) 11.353 13.063 ( 1.920 -8.920 -4.493) 10.170 13.063 ( 1.920 8.920 -4.493) 10.170 15.551 ( -5.058 -3.415 2.093) 6.452 15.551 ( -5.058 3.415 2.093) 6.452 16.006 ( -3.893 -3.345 4.946) 7.128 16.006 ( -3.893 3.345 4.946) 7.128 16.501 ( 11.680 -6.124 -1.033) 13.229 16.501 ( 11.680 6.124 -1.033) 13.229 17.082 ( 3.773 -5.695 -4.236) 8.038 17.082 ( 3.773 5.695 -4.236) 8.038 18.473 ( 2.448 -4.282 -3.974) 6.335 18.473 ( 2.448 4.282 -3.974) 6.335 19.074 ( -5.011 -2.875 3.816) 6.924 19.074 ( -5.011 2.875 3.816) 6.924 19.476 ( 2.146 -0.656 0.019) 2.244 19.476 ( 2.146 0.656 0.019) 2.244 20.210 ( -1.576 -0.315 0.021) 1.608 20.210 ( -1.576 0.315 0.021) 1.608 22.067 ( 1.295 -8.755 -0.549) 8.867 22.067 ( 1.295 8.755 -0.549) 8.867 23.017 ( -4.504 -7.159 1.189) 8.541 23.017 ( -4.504 7.159 1.189) 8.541 ======================= Grid point 180 (69/144) ======================= q-point: ( 0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 12.776 -10.024 -2.915) 16.498 2.309 ( 12.776 10.024 -2.915) 16.498 2.838 ( 12.097 -20.108 -9.143) 25.184 2.838 ( 12.097 20.108 -9.143) 25.184 3.745 ( 9.063 -17.606 15.076) 24.888 3.745 ( 9.063 17.606 15.076) 24.888 4.540 ( 1.154 -23.235 -0.837) 23.279 4.540 ( 1.154 23.235 -0.837) 23.279 5.510 ( 4.668 -8.955 -4.701) 11.139 5.510 ( 4.668 8.955 -4.701) 11.139 6.063 ( 2.664 -3.117 7.993) 8.983 6.063 ( 2.664 3.117 7.993) 8.983 7.244 ( -9.841 -5.037 -10.049) 14.940 7.244 ( -9.841 5.037 -10.049) 14.940 7.855 ( -3.467 -9.632 -2.837) 10.622 7.855 ( -3.467 9.632 -2.837) 10.622 8.343 ( -0.572 -6.628 5.783) 8.815 8.343 ( -0.572 6.628 5.783) 8.815 8.655 ( -8.020 -5.280 2.177) 9.846 8.655 ( -8.020 5.280 2.177) 9.846 8.963 ( 0.868 -3.148 -0.974) 3.407 8.963 ( 0.868 3.148 -0.974) 3.407 9.618 ( -6.550 -3.542 0.247) 7.450 9.618 ( -6.550 3.542 0.247) 7.450 12.502 ( 9.592 -11.266 -1.152) 14.841 12.502 ( 9.592 11.266 -1.152) 14.841 13.111 ( 2.881 -10.335 -1.348) 10.813 13.111 ( 2.881 10.335 -1.348) 10.813 15.449 ( -4.871 -4.884 0.540) 6.919 15.449 ( -4.871 4.884 0.540) 6.919 15.906 ( -6.050 -6.164 5.677) 10.336 15.906 ( -6.050 6.164 5.677) 10.336 16.768 ( 14.398 -7.273 -3.004) 16.408 16.768 ( 14.398 7.273 -3.004) 16.408 17.181 ( 6.333 -6.827 -1.524) 9.436 17.181 ( 6.333 6.827 -1.524) 9.436 18.532 ( 3.265 -4.336 -3.939) 6.706 18.532 ( 3.265 4.336 -3.939) 6.706 18.955 ( -6.822 -4.672 3.614) 9.024 18.955 ( -6.822 4.672 3.614) 9.024 19.528 ( 3.152 -0.721 0.007) 3.233 19.528 ( 3.152 0.721 0.007) 3.233 20.164 ( -3.288 -0.523 0.002) 3.330 20.164 ( -3.288 0.523 0.002) 3.330 22.107 ( 2.943 -9.162 -0.481) 9.635 22.107 ( 2.943 9.162 -0.481) 9.635 22.898 ( -7.470 -8.364 1.139) 11.271 22.898 ( -7.470 8.364 1.139) 11.271 ======================= Grid point 182 (70/144) ======================= q-point: ( 0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 5.825 -8.829 -4.094) 11.342 2.466 ( 5.825 8.829 -4.094) 11.342 2.974 ( 1.007 -18.161 6.730) 19.394 2.974 ( 1.007 18.161 6.730) 19.394 4.028 ( 16.695 -12.718 1.543) 21.044 4.028 ( 16.695 12.718 1.543) 21.044 4.575 ( 2.925 -20.528 0.855) 20.753 4.575 ( 2.925 20.528 0.855) 20.753 5.637 ( 8.541 -9.029 -7.886) 14.719 5.637 ( 8.541 9.029 -7.886) 14.719 6.130 ( 4.234 -5.377 9.304) 11.550 6.130 ( 4.234 5.377 9.304) 11.550 7.071 ( -6.948 -3.809 -7.118) 10.651 7.071 ( -6.948 3.809 -7.118) 10.651 7.753 ( -7.707 -8.988 -1.248) 11.906 7.753 ( -7.707 8.988 -1.248) 11.906 8.301 ( -4.145 -7.192 2.010) 8.541 8.301 ( -4.145 7.192 2.010) 8.541 8.508 ( -5.947 -6.579 1.904) 9.070 8.508 ( -5.947 6.579 1.904) 9.070 8.948 ( -2.254 -3.672 -6.786) 8.039 8.948 ( -2.254 3.672 -6.786) 8.039 9.528 ( -2.470 -4.936 8.678) 10.284 9.528 ( -2.470 4.936 8.678) 10.284 12.678 ( 8.009 -13.289 -6.599) 16.861 12.678 ( 8.009 13.289 -6.599) 16.861 13.168 ( 2.806 -11.736 2.506) 12.324 13.168 ( 2.806 11.736 2.506) 12.324 15.373 ( -2.936 -6.028 -1.522) 6.876 15.373 ( -2.936 6.028 -1.522) 6.876 15.787 ( -5.939 -8.391 7.058) 12.470 15.787 ( -5.939 8.391 7.058) 12.470 17.007 ( 9.471 -8.463 -6.960) 14.484 17.007 ( 9.471 8.463 -6.960) 14.484 17.324 ( 8.220 -8.301 3.239) 12.123 17.324 ( 8.220 8.301 3.239) 12.123 18.587 ( 2.196 -4.798 -3.946) 6.588 18.587 ( 2.196 4.798 -3.946) 6.588 18.830 ( -5.553 -6.011 3.086) 8.746 18.830 ( -5.553 6.011 3.086) 8.746 19.600 ( 4.387 -0.619 -0.052) 4.431 19.600 ( 4.387 0.619 -0.052) 4.431 20.082 ( -5.116 -0.581 0.003) 5.149 20.082 ( -5.116 0.581 0.003) 5.149 22.182 ( 4.778 -9.646 -0.316) 10.769 22.182 ( 4.778 9.646 -0.316) 10.769 22.741 ( -8.495 -9.419 0.977) 12.722 22.741 ( -8.495 9.419 0.977) 12.722 ======================= Grid point 184 (71/144) ======================= q-point: ( 0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 5.067 -2.883 -1.163) 5.945 2.572 ( 5.067 2.883 -1.163) 5.945 2.930 ( -3.997 -13.124 10.797) 17.458 2.930 ( -3.997 13.124 10.797) 17.458 4.256 ( 6.081 -13.319 -8.608) 16.984 4.256 ( 6.081 13.319 -8.608) 16.984 4.659 ( 4.882 -17.534 5.879) 19.127 4.659 ( 4.882 17.534 5.879) 19.127 5.814 ( 8.249 -9.093 -9.893) 15.766 5.814 ( 8.249 9.093 -9.893) 15.766 6.217 ( 4.137 -9.243 8.847) 13.447 6.217 ( 4.137 9.243 8.847) 13.447 7.022 ( 3.089 -2.830 -3.918) 5.736 7.022 ( 3.089 2.830 -3.918) 5.736 7.538 ( -14.425 -4.868 1.273) 15.278 7.538 ( -14.425 4.868 1.273) 15.278 8.206 ( -4.269 -8.033 -4.273) 10.051 8.206 ( -4.269 8.033 -4.273) 10.051 8.441 ( -1.596 -8.546 4.446) 9.765 8.441 ( -1.596 8.546 4.446) 9.765 8.897 ( -2.373 -4.655 -11.474) 12.608 8.897 ( -2.373 4.655 -11.474) 12.608 9.510 ( 0.007 -6.855 14.853) 16.359 9.510 ( 0.007 6.855 14.853) 16.359 12.798 ( 4.198 -14.274 -10.556) 18.243 12.798 ( 4.198 14.274 -10.556) 18.243 13.214 ( 1.790 -12.959 5.672) 14.259 13.214 ( 1.790 12.959 5.672) 14.259 15.335 ( -1.060 -6.954 -3.867) 8.027 15.335 ( -1.060 6.954 -3.867) 8.027 15.690 ( -3.794 -10.111 8.980) 14.046 15.690 ( -3.794 10.111 8.980) 14.046 17.132 ( 3.892 -8.936 -9.195) 13.400 17.132 ( 3.892 8.936 -9.195) 13.400 17.468 ( 5.674 -9.829 6.297) 12.979 17.468 ( 5.674 9.829 6.297) 12.979 18.614 ( 0.726 -5.950 -3.725) 7.057 18.614 ( 0.726 5.950 -3.725) 7.057 18.752 ( -2.539 -6.751 2.028) 7.493 18.752 ( -2.539 6.751 2.028) 7.493 19.700 ( 5.884 -0.491 -0.222) 5.908 19.700 ( 5.884 0.491 -0.222) 5.908 19.968 ( -6.513 -0.521 0.131) 6.536 19.968 ( -6.513 0.521 0.131) 6.536 22.290 ( 6.287 -10.082 -0.089) 11.882 22.290 ( 6.287 10.082 -0.089) 11.882 22.578 ( -8.187 -9.972 0.746) 12.924 22.578 ( -8.187 9.972 0.746) 12.924 ======================= Grid point 186 (72/144) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 0.000 -4.441 0.321) 4.452 2.634 ( 0.000 4.441 0.321) 4.452 2.876 ( 0.000 -10.051 11.253) 15.087 2.876 ( 0.000 10.051 11.253) 15.087 4.305 ( 0.000 -14.205 -11.720) 18.415 4.305 ( 0.000 14.205 -11.720) 18.415 4.713 ( 0.000 -16.782 7.611) 18.427 4.713 ( 0.000 16.782 7.611) 18.427 5.901 ( 0.000 -9.423 -10.231) 13.909 5.901 ( 0.000 9.423 -10.231) 13.909 6.261 ( 0.000 -11.675 7.555) 13.907 6.261 ( 0.000 11.675 7.555) 13.907 7.157 ( 0.000 -1.331 -3.309) 3.566 7.157 ( 0.000 1.331 -3.309) 3.566 7.286 ( -0.000 -0.841 3.458) 3.558 7.286 ( -0.000 0.841 3.458) 3.558 8.164 ( 0.000 -9.234 -6.265) 11.158 8.164 ( 0.000 9.234 -6.265) 11.158 8.428 ( 0.000 -9.208 5.272) 10.610 8.428 ( -0.000 9.208 5.272) 10.610 8.873 ( 0.000 -5.193 -12.835) 13.846 8.873 ( 0.000 5.193 -12.835) 13.846 9.512 ( 0.000 -7.574 16.694) 18.332 9.512 ( 0.000 7.574 16.694) 18.332 12.838 ( 0.000 -14.585 -11.959) 18.861 12.838 ( 0.000 14.585 -11.959) 18.861 13.232 ( 0.000 -13.481 6.861) 15.126 13.232 ( 0.000 13.481 6.861) 15.126 15.326 ( 0.000 -7.368 -5.115) 8.969 15.326 ( 0.000 7.368 -5.115) 8.969 15.651 ( 0.000 -10.876 10.082) 14.830 15.651 ( 0.000 10.876 10.082) 14.830 17.169 ( 0.000 -9.078 -9.592) 13.207 17.169 ( 0.000 9.078 -9.592) 13.207 17.524 ( 0.000 -10.311 7.094) 12.516 17.524 ( 0.000 10.311 7.094) 12.516 18.621 ( 0.000 -6.787 -3.473) 7.624 18.621 ( 0.000 6.787 -3.473) 7.624 18.728 ( 0.000 -7.306 1.333) 7.427 18.728 ( 0.000 7.306 1.333) 7.427 19.803 ( -0.000 -0.384 -1.321) 1.376 19.803 ( -0.000 0.384 -1.321) 1.376 19.859 ( 0.000 -0.500 1.212) 1.311 19.859 ( 0.000 0.500 1.212) 1.311 22.407 ( 0.000 -12.778 -0.486) 12.788 22.407 ( 0.000 12.778 -0.486) 12.788 22.443 ( 0.000 -11.656 1.143) 11.712 22.443 ( 0.000 11.656 1.143) 11.712 ======================= Grid point 242 (73/144) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 0.000 0.000 23.038) 23.038 1.167 ( 0.000 0.000 25.154) 25.154 1.600 ( 0.000 0.000 4.981) 4.981 1.900 ( 0.000 0.000 -8.407) 8.407 2.260 ( 0.000 0.000 54.263) 54.263 3.918 ( 0.000 0.000 -4.473) 4.473 4.126 ( 0.000 0.000 -10.880) 10.880 4.255 ( 0.000 0.000 -45.772) 45.772 5.151 ( 0.000 0.000 17.374) 17.374 5.735 ( 0.000 0.000 -10.465) 10.465 6.713 ( 0.000 0.000 1.853) 1.853 6.826 ( 0.000 0.000 -2.990) 2.990 7.041 ( 0.000 0.000 23.501) 23.501 7.659 ( 0.000 0.000 10.207) 10.207 7.748 ( 0.000 0.000 -1.682) 1.682 7.772 ( 0.000 0.000 -12.694) 12.694 7.849 ( 0.000 0.000 -5.158) 5.158 8.118 ( 0.000 0.000 -12.082) 12.082 8.987 ( 0.000 0.000 14.176) 14.176 9.361 ( 0.000 0.000 7.425) 7.425 9.507 ( 0.000 0.000 -10.539) 10.539 9.562 ( 0.000 0.000 -1.456) 1.456 9.736 ( 0.000 0.000 8.092) 8.092 10.195 ( 0.000 0.000 -12.138) 12.138 12.060 ( 0.000 0.000 10.245) 10.245 12.458 ( 0.000 0.000 -8.390) 8.390 12.703 ( 0.000 0.000 12.350) 12.350 13.295 ( 0.000 0.000 -15.154) 15.154 15.696 ( 0.000 0.000 5.556) 5.556 15.925 ( 0.000 0.000 -5.017) 5.017 15.940 ( 0.000 0.000 9.526) 9.526 16.071 ( 0.000 0.000 2.880) 2.880 16.705 ( 0.000 0.000 -5.289) 5.289 16.711 ( 0.000 0.000 -4.825) 4.825 17.348 ( 0.000 0.000 5.377) 5.377 17.550 ( 0.000 0.000 -4.019) 4.019 17.886 ( 0.000 0.000 10.189) 10.189 18.301 ( 0.000 0.000 -9.437) 9.437 19.485 ( 0.000 0.000 0.879) 0.879 19.532 ( 0.000 0.000 -1.248) 1.248 19.904 ( 0.000 0.000 2.843) 2.843 20.007 ( 0.000 0.000 -1.863) 1.863 20.194 ( 0.000 0.000 2.147) 2.147 20.257 ( 0.000 0.000 -1.087) 1.087 20.334 ( 0.000 0.000 0.949) 0.949 20.372 ( 0.000 0.000 -0.599) 0.599 24.021 ( 0.000 0.000 1.480) 1.480 24.055 ( 0.000 0.000 -0.095) 0.095 ======================= Grid point 243 (74/144) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 2.666 0.000 22.105) 22.265 1.435 ( 14.218 0.000 24.220) 28.085 1.628 ( 7.696 0.000 2.660) 8.143 2.149 ( 22.723 0.000 -9.770) 24.734 2.418 ( 18.671 0.000 47.616) 51.145 3.948 ( 2.742 0.000 -3.836) 4.715 4.128 ( 0.717 0.000 -12.866) 12.886 4.282 ( 2.906 0.000 -40.289) 40.394 5.158 ( 0.544 0.000 15.567) 15.577 5.712 ( -2.418 0.000 -10.281) 10.561 6.711 ( -0.122 0.000 1.360) 1.366 6.818 ( -0.790 0.000 -3.097) 3.197 7.015 ( -3.037 0.000 23.975) 24.166 7.413 ( -12.610 0.000 7.747) 14.800 7.697 ( -10.825 0.000 -6.830) 12.800 7.772 ( -1.023 0.000 -12.892) 12.932 8.002 ( 13.432 0.000 -0.695) 13.450 8.222 ( 6.940 0.000 -9.594) 11.842 8.961 ( -2.110 0.000 13.655) 13.817 9.240 ( -13.865 0.000 11.320) 17.899 9.464 ( -4.171 0.000 -7.211) 8.330 9.551 ( -1.528 0.000 -2.347) 2.800 9.636 ( -9.707 0.000 6.858) 11.885 9.936 ( -17.306 0.000 -3.500) 17.656 12.010 ( -1.327 0.000 9.526) 9.618 12.405 ( -4.510 0.000 -8.305) 9.451 13.054 ( 24.950 0.000 -1.908) 25.023 13.372 ( 6.844 0.000 -12.322) 14.095 15.552 ( -10.002 0.000 7.927) 12.762 15.810 ( -9.073 0.000 -4.040) 9.931 16.062 ( -1.306 0.000 3.824) 4.041 16.069 ( 8.064 0.000 4.989) 9.483 16.749 ( 4.704 0.000 -2.758) 5.453 16.753 ( 3.552 0.000 3.728) 5.150 17.472 ( 10.003 0.000 -4.256) 10.870 17.564 ( 0.983 0.000 -3.889) 4.012 17.908 ( 2.596 0.000 9.519) 9.866 18.292 ( -0.358 0.000 -8.097) 8.105 19.500 ( 1.557 0.000 0.867) 1.782 19.546 ( 1.427 0.000 -1.224) 1.880 19.982 ( 7.128 0.000 -2.608) 7.590 20.002 ( -0.591 0.000 -1.098) 1.247 20.187 ( -0.804 0.000 1.933) 2.094 20.257 ( 0.064 0.000 -1.376) 1.377 20.326 ( -0.779 0.000 0.928) 1.211 20.364 ( -0.845 0.000 -0.632) 1.055 23.855 ( -17.441 0.000 7.892) 19.144 23.947 ( -7.305 0.000 0.391) 7.315 ======================= Grid point 244 (75/144) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 5.039 0.000 17.188) 17.911 1.493 ( -0.201 0.000 14.495) 14.497 1.879 ( 10.559 0.000 10.756) 15.073 2.586 ( 17.393 0.000 -14.779) 22.824 3.030 ( 41.605 0.000 32.481) 52.782 4.006 ( 2.990 0.000 -1.440) 3.319 4.154 ( 0.867 0.000 -7.457) 7.507 4.421 ( 14.115 0.000 -33.085) 35.970 5.166 ( 0.351 0.000 12.041) 12.046 5.641 ( -4.924 0.000 -9.674) 10.855 6.711 ( 0.237 0.000 0.022) 0.238 6.798 ( -1.179 0.000 -3.434) 3.631 6.907 ( -7.991 0.000 24.231) 25.515 7.244 ( -4.583 0.000 8.519) 9.673 7.481 ( -10.441 0.000 -6.037) 12.061 7.745 ( -2.340 0.000 -13.911) 14.107 8.192 ( 5.283 0.000 -3.042) 6.096 8.323 ( 3.166 0.000 -7.834) 8.449 8.858 ( -22.258 0.000 17.715) 28.447 8.938 ( 0.525 0.000 10.245) 10.259 9.360 ( -6.206 0.000 -0.608) 6.236 9.364 ( -15.879 0.000 -1.207) 15.925 9.525 ( -2.690 0.000 1.849) 3.264 9.721 ( -6.120 0.000 -7.029) 9.320 12.028 ( 2.505 0.000 6.942) 7.380 12.321 ( -3.729 0.000 -6.127) 7.173 13.450 ( 15.110 0.000 -8.623) 17.397 13.516 ( 7.274 0.000 -8.068) 10.863 15.378 ( -7.527 0.000 9.287) 11.954 15.638 ( -8.261 0.000 -1.759) 8.446 16.031 ( -1.390 0.000 3.192) 3.482 16.175 ( 2.654 0.000 -1.316) 2.962 16.827 ( 3.908 0.000 11.386) 12.038 16.877 ( 7.735 0.000 2.961) 8.282 17.571 ( -0.493 0.000 -4.316) 4.344 17.627 ( 4.615 0.000 -10.397) 11.375 17.996 ( 6.504 0.000 8.235) 10.494 18.311 ( 2.637 0.000 -5.580) 6.172 19.544 ( 2.951 0.000 0.755) 3.046 19.585 ( 2.536 0.000 -1.158) 2.788 19.984 ( -1.316 0.000 0.611) 1.450 20.122 ( 4.052 0.000 -9.081) 9.944 20.166 ( 0.624 0.000 1.890) 1.990 20.266 ( 1.016 0.000 -2.091) 2.324 20.313 ( -0.184 0.000 -0.183) 0.260 20.341 ( -1.447 0.000 -0.643) 1.583 23.510 ( -16.205 0.000 14.415) 21.688 23.759 ( -11.509 0.000 -1.626) 11.623 ======================= Grid point 245 (76/144) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 9.176 0.000 10.150) 13.683 1.531 ( 4.826 0.000 7.093) 8.580 2.022 ( 5.000 0.000 6.429) 8.145 2.719 ( -3.181 0.000 -21.576) 21.810 3.856 ( 36.907 0.000 21.935) 42.933 4.075 ( 8.166 0.000 5.487) 9.838 4.142 ( -1.727 0.000 -1.917) 2.580 4.846 ( 26.726 0.000 -18.851) 32.705 5.181 ( 1.526 0.000 7.375) 7.531 5.527 ( -6.438 0.000 -8.963) 11.036 6.725 ( 1.111 0.000 -2.418) 2.661 6.748 ( -6.960 0.000 23.870) 24.864 6.775 ( -1.125 0.000 -3.754) 3.919 7.207 ( -0.135 0.000 7.881) 7.882 7.315 ( -6.423 0.000 -3.900) 7.514 7.661 ( -7.164 0.000 -13.977) 15.706 8.204 ( -3.116 0.000 -1.956) 3.679 8.339 ( -2.585 0.000 -7.748) 8.168 8.470 ( -15.380 0.000 16.432) 22.506 8.948 ( -5.737 0.000 -4.065) 7.031 9.077 ( -7.626 0.000 4.661) 8.938 9.240 ( -5.814 0.000 4.162) 7.150 9.472 ( -2.376 0.000 0.425) 2.414 9.636 ( -3.461 0.000 -10.313) 10.878 12.088 ( 3.451 0.000 5.510) 6.501 12.266 ( -2.030 0.000 -2.509) 3.227 13.638 ( 5.192 0.000 -5.517) 7.576 13.654 ( 6.777 0.000 -7.847) 10.368 15.269 ( -3.624 0.000 9.829) 10.476 15.491 ( -7.032 0.000 1.545) 7.199 16.021 ( 0.452 0.000 -0.034) 0.454 16.186 ( -1.003 0.000 -5.339) 5.432 16.901 ( 3.649 0.000 13.771) 14.246 17.009 ( 5.076 0.000 7.778) 9.288 17.551 ( -1.096 0.000 -6.794) 6.882 17.654 ( -1.009 0.000 -10.869) 10.916 18.146 ( 8.470 0.000 7.453) 11.282 18.379 ( 3.620 0.000 -2.378) 4.331 19.614 ( 4.192 0.000 0.398) 4.211 19.642 ( 3.310 0.000 -1.039) 3.470 19.947 ( -2.512 0.000 1.722) 3.045 20.076 ( -4.689 0.000 -1.619) 4.960 20.231 ( 1.711 0.000 -1.308) 2.154 20.298 ( 1.333 0.000 -2.604) 2.926 20.314 ( -0.325 0.000 -0.590) 0.674 20.342 ( 3.302 0.000 -6.608) 7.387 23.264 ( -9.039 0.000 12.616) 15.520 23.527 ( -11.870 0.000 -2.493) 12.129 ======================= Grid point 246 (77/144) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 9.965 0.000 3.963) 10.724 1.667 ( 7.624 0.000 -0.486) 7.640 2.097 ( 3.999 0.000 -1.307) 4.207 2.533 ( -14.057 0.000 -20.744) 25.058 4.046 ( 1.189 0.000 4.017) 4.189 4.102 ( -2.109 0.000 2.201) 3.049 4.662 ( 32.580 0.000 22.951) 39.852 5.233 ( 5.387 0.000 1.749) 5.664 5.241 ( 5.170 0.000 1.546) 5.396 5.442 ( 0.593 0.000 -10.873) 10.889 6.693 ( 2.948 0.000 11.148) 11.532 6.758 ( -0.590 0.000 -3.500) 3.550 6.769 ( 4.232 0.000 1.274) 4.420 7.216 ( 0.598 0.000 4.936) 4.972 7.234 ( -2.173 0.000 -1.010) 2.396 7.428 ( -17.369 0.000 -10.293) 20.189 8.119 ( -4.402 0.000 -0.754) 4.466 8.163 ( -8.871 0.000 4.891) 10.130 8.387 ( 1.570 0.000 -2.875) 3.276 8.691 ( -13.906 0.000 -8.017) 16.052 9.085 ( 1.736 0.000 5.946) 6.195 9.149 ( -3.390 0.000 6.724) 7.530 9.455 ( 0.990 0.000 -3.396) 3.537 9.571 ( -3.472 0.000 -10.710) 11.259 12.152 ( 2.990 0.000 4.444) 5.356 12.234 ( -1.497 0.000 0.757) 1.678 13.716 ( 2.877 0.000 -4.660) 5.477 13.737 ( 2.169 0.000 -6.116) 6.489 15.238 ( 0.283 0.000 9.455) 9.459 15.367 ( -5.728 0.000 5.165) 7.713 16.048 ( 2.153 0.000 -3.765) 4.338 16.150 ( -2.478 0.000 -6.744) 7.185 16.969 ( 3.408 0.000 13.837) 14.250 17.059 ( 0.150 0.000 11.218) 11.219 17.543 ( 0.503 0.000 -9.688) 9.701 17.615 ( -2.484 0.000 -10.806) 11.088 18.301 ( 7.026 0.000 6.311) 9.444 18.427 ( 0.860 0.000 1.127) 1.418 19.704 ( 4.962 0.000 -0.353) 4.975 19.710 ( 3.614 0.000 -0.821) 3.706 19.890 ( -3.094 0.000 1.726) 3.542 19.971 ( -5.931 0.000 -0.679) 5.970 20.244 ( 0.365 0.000 0.379) 0.526 20.278 ( -1.401 0.000 -0.512) 1.491 20.363 ( 3.010 0.000 -3.132) 4.344 20.400 ( 1.901 0.000 -7.393) 7.633 23.159 ( -1.869 0.000 7.524) 7.753 23.319 ( -9.187 0.000 -1.164) 9.260 ======================= Grid point 247 (78/144) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -2.414 0.000 -0.164) 2.419 1.724 ( 2.414 0.000 -0.164) 2.419 2.252 ( -8.125 0.000 -12.805) 15.165 2.252 ( 8.125 0.000 -12.805) 15.165 4.067 ( -0.871 0.000 4.252) 4.340 4.067 ( 0.871 0.000 4.252) 4.340 5.114 ( -7.693 0.000 13.247) 15.319 5.114 ( 7.693 0.000 13.247) 15.319 5.391 ( -5.645 0.000 -0.670) 5.685 5.391 ( 5.645 0.000 -0.670) 5.685 6.746 ( -0.126 0.000 -2.555) 2.558 6.746 ( 0.126 0.000 -2.555) 2.558 7.025 ( -20.797 0.000 -0.329) 20.799 7.025 ( 20.797 0.000 -0.329) 20.799 7.222 ( -0.021 0.000 0.691) 0.692 7.222 ( 0.021 0.000 0.691) 0.692 8.074 ( -0.032 0.000 1.266) 1.266 8.074 ( 0.032 0.000 1.266) 1.266 8.476 ( -7.721 0.000 -6.411) 10.036 8.476 ( 7.721 0.000 -6.411) 10.036 9.108 ( -0.081 0.000 6.936) 6.937 9.108 ( 0.081 0.000 6.936) 6.937 9.503 ( -0.674 0.000 -8.303) 8.331 9.503 ( 0.674 0.000 -8.303) 8.331 12.201 ( -0.331 0.000 3.027) 3.045 12.201 ( 0.331 0.000 3.027) 3.045 13.750 ( -0.033 0.000 -4.966) 4.966 13.750 ( 0.033 0.000 -4.966) 4.966 15.276 ( -1.827 0.000 7.930) 8.137 15.276 ( 1.827 0.000 7.930) 8.137 16.097 ( -0.469 0.000 -6.170) 6.188 16.097 ( 0.469 0.000 -6.170) 6.188 17.030 ( -0.752 0.000 12.964) 12.986 17.030 ( 0.752 0.000 12.964) 12.986 17.570 ( -0.395 0.000 -10.717) 10.724 17.570 ( 0.395 0.000 -10.717) 10.724 18.403 ( -1.646 0.000 4.155) 4.469 18.403 ( 1.646 0.000 4.155) 4.469 19.766 ( -0.547 0.000 -1.060) 1.193 19.766 ( 0.547 0.000 -1.060) 1.193 19.869 ( -2.091 0.000 0.975) 2.307 19.869 ( 2.091 0.000 0.975) 2.307 20.255 ( -0.105 0.000 0.021) 0.107 20.255 ( 0.105 0.000 0.021) 0.107 20.406 ( -0.773 0.000 -5.009) 5.069 20.406 ( 0.773 0.000 -5.009) 5.069 23.185 ( -3.267 0.000 2.399) 4.053 23.185 ( 3.267 0.000 2.399) 4.053 ======================= Grid point 253 (79/144) ======================= q-point: ( 0.00 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 0.000 2.941 23.750) 23.931 1.264 ( 0.000 9.407 24.244) 26.005 1.820 ( 0.000 19.424 0.191) 19.425 1.875 ( 0.000 -1.589 -7.234) 7.406 2.360 ( 0.000 9.525 46.390) 47.358 3.813 ( 0.000 -8.429 -13.802) 16.172 4.257 ( 0.000 11.355 -10.789) 15.663 4.413 ( 0.000 13.556 -33.220) 35.880 5.131 ( 0.000 -2.231 16.894) 17.041 5.694 ( 0.000 -4.044 -9.969) 10.758 6.671 ( 0.000 -4.244 2.370) 4.861 6.774 ( 0.000 -4.754 0.709) 4.806 7.040 ( 0.000 -0.355 18.386) 18.389 7.664 ( 0.000 0.655 10.145) 10.166 7.736 ( 0.000 -3.123 -13.520) 13.877 7.831 ( 0.000 7.442 -3.154) 8.082 7.883 ( 0.000 3.286 -4.141) 5.286 8.111 ( 0.000 -0.666 -11.471) 11.490 8.962 ( 0.000 -2.362 14.361) 14.554 9.338 ( 0.000 -2.311 7.580) 7.924 9.423 ( 0.000 -5.756 -4.942) 7.586 9.573 ( 0.000 -2.788 -4.031) 4.901 9.710 ( 0.000 -0.751 4.209) 4.275 10.054 ( 0.000 -11.425 -7.031) 13.415 12.071 ( 0.000 1.110 10.303) 10.363 12.473 ( 0.000 1.463 -8.487) 8.612 12.706 ( 0.000 0.062 12.252) 12.252 13.286 ( 0.000 -1.032 -14.670) 14.706 15.686 ( 0.000 -0.851 5.338) 5.405 15.893 ( 0.000 -2.642 -2.207) 3.443 15.958 ( 0.000 1.427 6.967) 7.111 16.080 ( 0.000 0.831 2.950) 3.064 16.672 ( 0.000 -3.478 -2.776) 4.450 16.690 ( 0.000 -2.003 -4.703) 5.112 17.111 ( 0.000 -14.906 14.658) 20.906 17.488 ( 0.000 -5.698 -5.611) 7.997 18.039 ( 0.000 9.451 3.300) 10.011 18.344 ( 0.000 3.708 -9.006) 9.739 19.467 ( 0.000 -18.413 8.461) 20.263 19.483 ( 0.000 -0.187 0.778) 0.800 19.531 ( 0.000 -1.772 -0.486) 1.838 19.630 ( 0.000 -19.952 -0.185) 19.953 20.252 ( 0.000 0.241 0.431) 0.494 20.270 ( 0.000 -0.237 -0.318) 0.397 20.704 ( 0.000 24.681 2.674) 24.825 20.961 ( 0.000 34.145 -13.448) 36.697 23.877 ( 0.000 -15.018 5.491) 15.990 23.937 ( 0.000 -7.821 0.651) 7.848 ======================= Grid point 254 (80/144) ======================= q-point: ( 0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 1.651 7.118 22.632) 23.782 1.498 ( 19.091 6.076 21.593) 29.456 1.838 ( 5.132 18.372 -1.097) 19.107 2.146 ( 23.968 0.545 -8.194) 25.336 2.486 ( 15.167 6.718 41.761) 44.935 3.843 ( 3.218 -8.377 -13.049) 15.837 4.259 ( 0.532 11.406 -11.156) 15.964 4.436 ( 2.409 13.365 -29.277) 32.273 5.127 ( -0.465 -3.117 15.042) 15.368 5.678 ( -1.703 -3.579 -9.514) 10.306 6.664 ( -0.677 -4.641 2.072) 5.127 6.766 ( -0.878 -4.563 0.919) 4.737 7.016 ( -2.541 -0.378 18.096) 18.278 7.445 ( -12.651 2.613 5.857) 14.184 7.705 ( -9.521 0.510 -6.695) 11.650 7.760 ( -2.292 -0.167 -10.384) 10.635 8.040 ( 12.065 3.611 -2.030) 12.757 8.225 ( 7.279 0.308 -8.903) 11.504 8.918 ( -4.543 -3.737 14.555) 15.699 9.236 ( -10.593 -0.929 10.578) 14.999 9.392 ( -3.439 -5.140 -4.048) 7.392 9.529 ( -5.290 -4.613 -2.106) 7.328 9.641 ( -5.795 1.685 2.150) 6.406 9.869 ( -12.808 -5.712 -2.922) 14.325 12.025 ( -1.561 1.475 9.225) 9.472 12.429 ( -3.888 2.237 -8.035) 9.202 12.994 ( 21.318 -4.954 0.288) 21.888 13.372 ( 7.969 -0.449 -11.290) 13.826 15.548 ( -9.803 -0.354 7.538) 12.372 15.791 ( -8.436 -1.715 -3.570) 9.320 16.048 ( -0.342 -0.736 4.821) 4.889 16.094 ( 6.477 1.717 4.036) 7.822 16.716 ( 4.524 -2.953 4.945) 7.324 16.748 ( 4.505 -0.792 -2.608) 5.266 17.236 ( 10.336 -15.061 2.613) 18.452 17.533 ( 4.937 -4.868 -4.534) 8.284 18.042 ( 0.205 8.944 3.198) 9.501 18.338 ( -0.100 3.976 -7.364) 8.369 19.482 ( 1.480 -12.014 3.367) 12.565 19.513 ( 2.729 -10.439 2.874) 11.166 19.539 ( 1.141 -1.251 -1.145) 2.044 19.639 ( 0.815 -19.047 0.312) 19.067 20.238 ( -1.509 0.032 0.487) 1.586 20.260 ( -1.070 -0.201 -0.387) 1.155 20.703 ( -0.028 24.677 2.706) 24.825 20.957 ( -0.332 33.342 -13.031) 35.800 23.717 ( -14.190 -11.880 10.142) 21.104 23.871 ( -6.723 -7.258 -0.188) 9.895 ======================= Grid point 255 (81/144) ======================= q-point: ( 0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 4.602 6.099 16.491) 18.174 1.656 ( 1.804 14.841 15.124) 21.267 2.034 ( 9.585 14.467 4.911) 18.036 2.605 ( 18.134 1.866 -13.459) 22.660 3.021 ( 37.959 -0.501 29.901) 48.324 3.945 ( 7.043 -5.829 -6.994) 11.511 4.288 ( 2.496 11.827 -7.598) 14.278 4.531 ( 9.237 10.685 -23.796) 27.672 5.113 ( -0.803 -4.645 10.445) 11.459 5.630 ( -3.236 -1.923 -8.081) 8.914 6.647 ( -1.111 -5.845 0.334) 5.959 6.740 ( -1.645 -4.091 3.773) 5.804 6.938 ( -5.457 1.017 15.235) 16.215 7.257 ( -6.159 1.223 6.023) 8.701 7.493 ( -10.507 1.170 -4.561) 11.513 7.733 ( -1.939 -0.582 -12.006) 12.175 8.205 ( 3.741 1.297 -3.341) 5.181 8.334 ( 3.909 0.863 -6.983) 8.049 8.748 ( -14.462 -6.092 16.130) 22.504 9.026 ( -6.816 3.585 8.847) 11.729 9.296 ( -7.714 -4.852 2.855) 9.550 9.339 ( -11.288 -2.727 -4.207) 12.351 9.548 ( -4.204 1.576 1.197) 4.646 9.707 ( -4.226 -1.164 -6.142) 7.545 12.031 ( 1.569 0.511 5.930) 6.156 12.361 ( -2.491 3.801 -5.186) 6.896 13.330 ( 12.351 -8.362 -8.100) 16.973 13.556 ( 10.056 0.918 -6.193) 11.846 15.375 ( -7.563 -0.204 8.707) 11.535 15.630 ( -7.762 -0.738 -1.857) 8.015 15.997 ( -3.027 -2.786 3.234) 5.233 16.214 ( 4.240 3.249 -0.762) 5.395 16.792 ( 3.198 -3.462 11.900) 12.799 16.878 ( 8.231 0.103 2.670) 8.653 17.390 ( 4.582 -10.910 -8.223) 14.410 17.675 ( 7.884 -1.442 -4.299) 9.095 18.049 ( 1.340 5.523 3.985) 6.941 18.361 ( 2.605 4.131 -4.104) 6.379 19.516 ( 1.778 -13.347 0.153) 13.466 19.558 ( 2.467 -5.367 -0.120) 5.908 19.600 ( 4.280 -7.761 -0.233) 8.866 19.659 ( 1.395 -20.166 0.137) 20.215 20.193 ( -3.148 -0.087 0.766) 3.241 20.226 ( -2.482 -0.590 -0.663) 2.636 20.709 ( 0.900 24.625 2.610) 24.779 20.949 ( -0.511 31.392 -11.679) 33.498 23.425 ( -14.171 -7.574 14.037) 21.336 23.695 ( -10.798 -6.040 -1.831) 12.507 ======================= Grid point 256 (82/144) ======================= q-point: ( 0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 10.410 6.322 7.706) 14.412 1.704 ( 4.058 16.304 9.208) 19.159 2.155 ( 3.424 12.714 3.393) 13.597 2.745 ( -2.984 2.342 -19.381) 19.749 3.757 ( 32.159 -7.111 20.064) 38.566 4.062 ( 3.922 1.211 0.393) 4.123 4.375 ( 9.120 16.206 2.606) 18.778 4.855 ( 22.223 0.977 -15.120) 26.896 5.110 ( 1.310 -4.503 3.349) 5.763 5.557 ( -3.976 0.950 -5.845) 7.132 6.621 ( -1.354 -7.412 -2.248) 7.863 6.711 ( -1.258 -2.325 14.469) 14.709 6.837 ( -3.704 2.261 2.852) 5.193 7.195 ( -1.179 -1.162 5.590) 5.830 7.326 ( -6.337 1.100 -1.861) 6.695 7.661 ( -6.406 0.276 -12.113) 13.705 8.182 ( -5.350 -1.589 -2.515) 6.122 8.367 ( -2.329 2.350 -5.369) 6.307 8.443 ( -12.233 -2.263 14.409) 19.036 8.926 ( -8.678 -2.137 -6.118) 10.831 9.057 ( -9.318 -2.211 4.469) 10.568 9.247 ( -1.429 -0.130 4.060) 4.306 9.459 ( -4.819 -0.170 0.072) 4.823 9.668 ( -0.508 2.580 -7.580) 8.023 12.066 ( 1.694 -1.266 3.099) 3.752 12.338 ( -0.010 6.158 -0.519) 6.180 13.498 ( 5.889 -8.519 -8.171) 13.191 13.722 ( 6.633 1.582 -4.140) 7.977 15.263 ( -3.983 -0.523 8.997) 9.853 15.493 ( -6.444 0.184 1.343) 6.585 15.949 ( -1.742 -5.331 -0.526) 5.633 16.262 ( 1.070 5.695 -4.264) 7.194 16.849 ( 2.675 -4.909 14.197) 15.258 17.023 ( 5.995 1.138 6.866) 9.186 17.440 ( 1.287 -7.137 -10.876) 13.072 17.749 ( -0.362 5.124 -6.639) 8.394 18.137 ( 7.548 0.038 5.686) 9.450 18.424 ( 3.308 3.662 -0.783) 4.996 19.548 ( 1.498 -17.367 -1.598) 17.505 19.611 ( 2.058 -3.776 -0.661) 4.351 19.663 ( 2.912 -9.826 0.922) 10.290 19.723 ( 5.128 -16.885 -2.323) 17.799 20.115 ( -4.875 -0.184 1.146) 5.012 20.163 ( -4.001 -1.649 -0.992) 4.439 20.742 ( 2.514 24.528 1.963) 24.735 20.937 ( -0.821 29.083 -9.203) 30.516 23.205 ( -8.250 -5.363 11.821) 15.380 23.477 ( -11.205 -4.801 -2.403) 12.425 ======================= Grid point 257 (83/144) ======================= q-point: ( 0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 14.152 8.972 0.051) 16.757 1.810 ( 6.125 14.757 2.716) 16.207 2.174 ( -1.341 9.253 -2.119) 9.587 2.572 ( -12.420 3.129 -17.499) 21.686 4.075 ( 4.260 -2.690 8.148) 9.580 4.104 ( 0.927 4.031 3.057) 5.143 4.738 ( 22.055 7.783 14.225) 27.374 5.111 ( 6.311 -8.365 -1.020) 10.528 5.284 ( 10.841 4.082 0.683) 11.604 5.495 ( -1.828 2.319 -4.172) 5.111 6.609 ( 0.114 -8.164 -3.349) 8.825 6.732 ( 5.617 0.935 13.599) 14.743 6.813 ( 1.329 0.928 -4.349) 4.642 7.182 ( -0.485 -1.917 1.247) 2.337 7.256 ( -1.293 0.855 3.229) 3.582 7.443 ( -16.737 1.450 -8.895) 19.009 8.035 ( -7.750 -5.008 -0.214) 9.230 8.212 ( -6.083 2.033 4.439) 7.800 8.403 ( 1.452 1.326 -2.678) 3.323 8.680 ( -12.843 -1.024 -8.457) 15.411 8.972 ( -2.237 -5.871 3.886) 7.387 9.255 ( 1.510 2.840 5.486) 6.359 9.374 ( -3.753 -2.758 -2.036) 5.083 9.670 ( 0.390 6.512 -7.632) 10.040 12.091 ( 0.880 -2.842 1.524) 3.343 12.349 ( 0.741 8.120 2.991) 8.685 13.577 ( 2.544 -8.375 -7.330) 11.417 13.812 ( 2.866 2.219 -3.028) 4.723 15.219 ( -0.762 -1.501 8.209) 8.380 15.384 ( -4.583 1.483 5.405) 7.240 15.928 ( -0.525 -7.632 -4.630) 8.942 16.270 ( 0.037 7.688 -5.522) 9.466 16.893 ( 1.786 -6.398 14.589) 16.030 17.098 ( 1.947 2.748 9.485) 10.065 17.459 ( 0.845 -5.192 -12.351) 13.425 17.712 ( -2.311 6.264 -7.252) 9.858 18.289 ( 6.897 -0.480 4.888) 8.467 18.469 ( 1.031 3.193 2.737) 4.330 19.574 ( 1.134 -19.384 -2.396) 19.565 19.623 ( -0.246 -12.182 -1.517) 12.279 19.748 ( 5.410 -3.632 1.391) 6.663 19.829 ( 5.527 -10.071 -2.763) 11.816 20.009 ( -5.887 -1.069 1.429) 6.152 20.075 ( -4.961 -3.808 -1.239) 6.375 20.802 ( 3.448 24.701 0.403) 24.943 20.913 ( -1.751 26.967 -5.800) 27.639 23.108 ( -1.888 -4.645 6.608) 8.294 23.282 ( -8.507 -3.730 -0.809) 9.324 ======================= Grid point 258 (84/144) ======================= q-point: (-0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -0.000 15.071 0.023) 15.071 1.921 ( -0.000 15.979 -0.299) 15.982 2.129 ( 0.000 -2.097 -13.183) 13.349 2.405 ( -0.000 6.320 -9.735) 11.607 4.102 ( -0.000 0.285 7.395) 7.401 4.111 ( 0.000 4.919 3.817) 6.226 4.943 ( -0.000 -5.949 3.364) 6.834 5.290 ( -0.000 -2.685 0.707) 2.777 5.323 ( 0.000 9.332 15.430) 18.032 5.458 ( -0.000 1.392 1.052) 1.745 6.612 ( 0.000 -8.873 -3.762) 9.637 6.791 ( -0.000 0.380 -3.165) 3.188 7.030 ( -0.000 0.585 -0.459) 0.744 7.065 ( 0.000 3.469 0.332) 3.484 7.180 ( 0.000 -1.532 -1.702) 2.290 7.253 ( 0.000 0.569 4.483) 4.519 7.953 ( 0.000 -6.194 -1.336) 6.337 8.155 ( 0.000 2.616 2.760) 3.803 8.466 ( -0.000 -0.200 -4.176) 4.181 8.499 ( 0.000 1.235 -7.605) 7.705 8.950 ( 0.000 -6.676 3.735) 7.649 9.279 ( 0.000 7.814 9.960) 12.659 9.329 ( 0.000 -8.464 -7.853) 11.546 9.675 ( -0.000 8.260 -7.491) 11.150 12.099 ( 0.000 -3.395 1.148) 3.584 12.357 ( 0.000 8.797 4.128) 9.717 13.601 ( 0.000 -8.335 -7.059) 10.923 13.839 ( 0.000 2.490 -2.622) 3.616 15.217 ( 0.000 -2.695 6.941) 7.446 15.334 ( 0.000 2.782 7.985) 8.456 15.924 ( 0.000 -8.599 -6.343) 10.686 16.269 ( 0.000 8.479 -5.758) 10.250 16.912 ( 0.000 -7.252 14.496) 16.209 17.113 ( 0.000 3.792 10.326) 11.001 17.469 ( 0.000 -4.721 -12.789) 13.633 17.686 ( -0.000 6.227 -7.435) 9.699 18.366 ( 0.000 -0.517 3.111) 3.154 18.471 ( -0.000 3.277 5.467) 6.374 19.587 ( 0.000 -20.004 -2.971) 20.223 19.618 ( 0.000 -14.371 -1.425) 14.441 19.836 ( -0.000 -1.367 0.512) 1.460 19.894 ( 0.000 0.762 1.270) 1.481 19.932 ( -0.000 -7.912 -2.190) 8.209 20.000 ( 0.000 -7.205 -0.735) 7.243 20.862 ( 0.000 25.703 -1.911) 25.774 20.871 ( 0.000 25.221 -2.669) 25.361 23.108 ( 0.000 -5.205 1.676) 5.468 23.180 ( 0.000 -2.596 2.604) 3.677 ======================= Grid point 264 (85/144) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 0.000 4.597 18.581) 19.141 1.445 ( 0.000 7.446 23.697) 24.840 1.858 ( 0.000 -0.213 -8.491) 8.493 2.283 ( 0.000 22.291 -10.592) 24.680 2.657 ( 0.000 19.184 34.185) 39.200 3.634 ( 0.000 -7.149 -13.291) 15.092 4.536 ( 0.000 14.737 -7.579) 16.572 4.752 ( 0.000 17.793 -24.074) 29.936 5.044 ( 0.000 -6.305 17.024) 18.154 5.565 ( 0.000 -8.564 -8.626) 12.155 6.539 ( 0.000 -8.172 4.737) 9.445 6.644 ( 0.000 -7.562 5.871) 9.573 7.021 ( 0.000 -1.443 8.782) 8.900 7.640 ( 0.000 -6.107 -15.304) 16.477 7.693 ( 0.000 2.279 9.955) 10.213 7.982 ( 0.000 6.292 -1.538) 6.477 8.036 ( 0.000 11.460 -5.275) 12.616 8.089 ( 0.000 -1.376 -9.663) 9.760 8.897 ( 0.000 -3.531 13.716) 14.163 9.266 ( 0.000 -4.493 7.676) 8.895 9.292 ( 0.000 -6.851 -2.665) 7.351 9.428 ( 0.000 -9.581 0.838) 9.618 9.724 ( 0.000 0.978 -4.498) 4.603 9.824 ( 0.000 -9.391 -2.958) 9.846 12.111 ( 0.000 2.896 10.213) 10.615 12.521 ( 0.000 3.239 -8.743) 9.324 12.697 ( 0.000 -1.133 11.967) 12.021 13.246 ( 0.000 -2.939 -13.420) 13.738 15.666 ( 0.000 -0.931 4.897) 4.985 15.828 ( 0.000 -3.350 -0.375) 3.371 15.997 ( 0.000 2.334 5.376) 5.861 16.101 ( 0.000 1.060 3.054) 3.233 16.558 ( 0.000 -6.759 7.026) 9.750 16.631 ( 0.000 -3.592 -4.240) 5.557 16.902 ( 0.000 -5.295 7.812) 9.438 17.338 ( 0.000 -8.299 -8.190) 11.660 18.195 ( 0.000 5.622 0.953) 5.702 18.424 ( 0.000 3.344 -8.822) 9.435 19.216 ( 0.000 -6.123 6.758) 9.119 19.301 ( 0.000 -11.398 2.329) 11.634 19.478 ( 0.000 -0.362 0.545) 0.654 19.512 ( 0.000 -1.013 -0.967) 1.400 20.250 ( 0.000 -0.308 0.309) 0.437 20.261 ( 0.000 -0.595 -0.090) 0.602 21.190 ( 0.000 21.739 4.038) 22.110 21.550 ( 0.000 22.551 -16.186) 27.759 23.538 ( 0.000 -16.095 10.332) 19.126 23.722 ( 0.000 -12.261 -0.911) 12.295 ======================= Grid point 265 (86/144) ======================= q-point: ( 0.10 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 1.874 7.590 18.152) 19.764 1.641 ( 25.772 6.323 18.733) 32.483 2.125 ( 21.758 2.451 -8.741) 23.576 2.332 ( 7.378 21.011 -9.026) 24.029 2.713 ( 7.300 15.729 31.694) 36.128 3.663 ( 3.362 -7.353 -12.998) 15.307 4.541 ( 0.747 14.680 -8.289) 16.876 4.776 ( 2.086 18.380 -19.926) 27.189 5.024 ( -1.656 -6.908 14.720) 16.345 5.552 ( -1.158 -8.745 -7.932) 11.863 6.528 ( -1.105 -8.091 4.508) 9.328 6.645 ( 0.111 -6.889 5.967) 9.115 6.989 ( -3.069 -2.139 7.430) 8.319 7.477 ( -10.969 -0.654 -1.542) 11.096 7.708 ( -4.173 0.504 -3.796) 5.664 7.808 ( -7.530 4.442 -4.620) 9.888 8.144 ( 7.997 5.770 -3.801) 10.568 8.241 ( 7.791 1.979 -6.493) 10.334 8.831 ( -6.634 -4.147 14.584) 16.550 9.179 ( -6.686 -4.607 5.495) 9.804 9.289 ( -2.680 -4.677 1.275) 5.539 9.380 ( -4.728 -9.041 -0.509) 10.215 9.679 ( -4.403 1.363 -3.402) 5.729 9.744 ( -5.823 -5.620 -2.741) 8.544 12.073 ( -1.911 3.265 8.422) 9.232 12.496 ( -2.268 4.274 -7.431) 8.867 12.881 ( 14.937 -5.669 3.482) 16.351 13.339 ( 8.643 -2.871 -9.452) 13.126 15.541 ( -9.269 -0.230 6.559) 11.357 15.748 ( -7.008 -2.342 -2.542) 7.814 16.034 ( -3.266 -0.544 5.191) 6.157 16.136 ( 7.791 2.251 3.560) 8.857 16.627 ( 4.882 -5.450 10.236) 12.582 16.720 ( 7.297 -2.098 -4.990) 9.086 16.981 ( 8.748 -8.664 1.977) 12.471 17.396 ( 6.198 -7.660 -6.198) 11.641 18.201 ( 0.323 6.140 0.657) 6.184 18.427 ( 0.490 3.960 -7.091) 8.136 19.175 ( -3.079 -9.656 4.885) 11.251 19.315 ( 0.778 -10.531 2.447) 10.840 19.494 ( 1.668 -0.427 0.587) 1.819 19.529 ( 1.678 -0.910 -0.906) 2.113 20.229 ( -1.882 -0.601 0.129) 1.980 20.255 ( -0.951 -0.410 0.050) 1.037 21.189 ( 0.035 21.844 4.042) 22.215 21.539 ( -1.024 22.682 -15.460) 27.469 23.438 ( -9.279 -13.767 11.764) 20.348 23.668 ( -5.481 -11.716 -1.432) 13.014 ======================= Grid point 266 (87/144) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 4.881 8.557 12.103) 15.605 2.018 ( 9.603 17.662 16.395) 25.942 2.386 ( 7.721 15.309 -7.695) 18.793 2.679 ( 18.572 6.805 -8.283) 21.443 3.047 ( 28.263 4.571 23.813) 37.239 3.794 ( 11.225 -7.454 -10.043) 16.806 4.581 ( 4.015 15.234 -7.181) 17.314 4.812 ( 1.374 12.444 -5.639) 13.731 5.010 ( 1.347 -2.255 2.276) 3.476 5.528 ( -1.141 -8.339 -5.739) 10.188 6.496 ( -2.250 -8.243 2.589) 8.928 6.647 ( 0.142 -4.951 7.052) 8.618 6.917 ( -4.038 -2.865 4.872) 6.946 7.278 ( -8.801 -0.004 -0.140) 8.802 7.534 ( -10.010 2.953 -0.362) 10.443 7.750 ( -1.794 2.660 -7.482) 8.141 8.248 ( 0.653 2.938 -2.926) 4.197 8.349 ( 4.227 0.443 -5.231) 6.740 8.650 ( -11.896 -3.147 14.112) 18.724 9.035 ( -7.849 -2.678 2.119) 8.560 9.182 ( -8.592 -5.992 3.625) 11.085 9.262 ( -5.836 -4.736 -2.479) 7.914 9.580 ( -5.132 1.514 0.598) 5.384 9.682 ( -0.006 -1.067 -4.335) 4.464 12.059 ( 0.116 2.517 3.975) 4.706 12.470 ( 0.062 6.543 -3.719) 7.526 13.143 ( 10.960 -9.406 -5.674) 15.517 13.535 ( 10.406 -2.974 -3.875) 11.495 15.373 ( -7.630 0.055 7.196) 10.488 15.611 ( -6.599 -1.118 -2.270) 7.067 15.935 ( -5.677 -2.852 4.084) 7.552 16.290 ( 6.775 3.654 0.416) 7.709 16.685 ( 1.343 -6.655 11.450) 13.311 16.884 ( 9.371 0.552 1.330) 9.481 17.175 ( 8.710 -9.374 -8.856) 15.562 17.583 ( 12.485 -6.361 -2.219) 14.187 18.192 ( -1.314 7.213 0.374) 7.341 18.453 ( 2.254 4.325 -3.015) 5.733 19.126 ( -1.650 -14.533 1.556) 14.708 19.323 ( 0.091 -11.930 1.474) 12.021 19.539 ( 2.945 -0.465 0.419) 3.011 19.574 ( 2.960 -0.714 -0.700) 3.124 20.180 ( -3.250 -0.829 0.161) 3.358 20.219 ( -2.836 -0.453 -0.070) 2.873 21.197 ( 0.956 22.094 3.933) 22.461 21.513 ( -1.612 22.949 -13.318) 26.583 23.234 ( -10.574 -10.107 12.710) 19.377 23.523 ( -9.124 -10.258 -2.383) 13.934 ======================= Grid point 267 (88/144) ======================= q-point: ( 0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 11.168 9.577 4.366) 15.346 2.126 ( 4.278 22.395 12.493) 25.998 2.475 ( 1.952 14.486 -4.873) 15.408 2.827 ( -2.713 7.328 -11.554) 13.948 3.630 ( 26.262 -4.229 16.005) 31.044 4.057 ( 12.397 -2.568 -2.595) 12.923 4.720 ( 10.055 15.034 -2.761) 18.296 4.846 ( 3.530 -3.062 6.255) 7.808 5.126 ( 11.744 8.574 -9.668) 17.462 5.513 ( -0.453 -5.436 -2.165) 5.869 6.444 ( -2.774 -9.327 -1.594) 9.860 6.663 ( 2.070 -2.252 11.025) 11.442 6.842 ( -3.406 -1.784 -0.035) 3.845 7.158 ( -3.393 -2.537 -0.135) 4.239 7.369 ( -6.706 3.352 2.270) 7.833 7.689 ( -5.439 2.786 -7.568) 9.727 8.160 ( -9.076 -0.176 -1.683) 9.232 8.393 ( -6.748 -2.334 8.969) 11.464 8.419 ( -3.464 2.367 -1.566) 4.478 8.866 ( -10.309 -3.402 -7.933) 13.445 8.985 ( -9.286 -4.575 3.944) 11.078 9.194 ( -1.986 -5.017 -1.229) 5.534 9.492 ( -3.747 2.859 5.518) 7.257 9.727 ( 3.797 2.807 -4.149) 6.285 12.065 ( 0.290 1.600 0.246) 1.644 12.497 ( 2.327 8.939 0.921) 9.283 13.303 ( 5.948 -10.181 -8.267) 14.401 13.710 ( 7.278 -2.824 -1.586) 7.966 15.253 ( -4.724 -0.323 6.937) 8.399 15.499 ( -4.925 0.338 0.343) 4.948 15.834 ( -4.533 -5.449 0.641) 7.117 16.388 ( 3.555 6.133 -2.839) 7.636 16.702 ( 0.684 -8.991 12.663) 15.546 17.054 ( 7.533 1.924 4.866) 9.172 17.294 ( 4.145 -6.709 -11.824) 14.213 17.799 ( 7.234 -0.936 -2.495) 7.709 18.187 ( 2.547 5.030 2.326) 6.099 18.503 ( 2.385 3.572 0.762) 4.362 19.112 ( 0.041 -18.350 -2.144) 18.475 19.319 ( -0.587 -13.757 0.019) 13.769 19.611 ( 4.648 -0.603 0.299) 4.696 19.646 ( 4.600 -0.896 -0.506) 4.713 20.102 ( -4.845 -0.885 0.423) 4.943 20.144 ( -4.862 -0.734 -0.386) 4.933 21.231 ( 2.560 22.322 3.299) 22.709 21.478 ( -2.033 23.120 -9.831) 25.205 23.063 ( -6.650 -7.930 10.229) 14.551 23.336 ( -9.720 -8.661 -2.491) 13.255 ======================= Grid point 268 (89/144) ======================= q-point: ( 0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 15.130 9.810 -2.465) 18.200 2.219 ( 5.183 21.713 7.042) 23.407 2.470 ( -2.486 15.426 -4.097) 16.153 2.656 ( -12.509 7.097 -10.796) 17.984 3.957 ( 8.315 -7.059 10.942) 15.450 4.207 ( 3.872 4.512 3.304) 6.803 4.803 ( 0.142 -6.847 -7.301) 10.010 5.106 ( 19.585 11.052 10.533) 24.833 5.397 ( 11.706 6.823 -1.170) 13.599 5.502 ( -1.076 -0.927 0.947) 1.707 6.401 ( -1.482 -11.435 -4.621) 12.422 6.752 ( 5.374 -0.113 9.770) 11.151 6.809 ( 3.275 -0.688 -4.923) 5.953 7.142 ( 1.389 -2.267 0.308) 2.677 7.276 ( -3.236 1.677 4.317) 5.650 7.491 ( -15.917 3.218 -5.580) 17.171 7.951 ( -10.084 -2.732 -1.120) 10.508 8.237 ( -5.215 0.701 5.149) 7.362 8.428 ( 0.949 0.658 -2.260) 2.538 8.653 ( -10.219 -1.478 -9.368) 13.942 8.866 ( -3.508 -4.610 2.168) 6.185 9.165 ( -1.044 -7.474 -4.939) 9.019 9.438 ( -1.850 5.075 10.250) 11.586 9.800 ( 3.154 5.614 -3.827) 7.490 12.069 ( 0.175 1.108 -1.387) 1.783 12.542 ( 1.926 10.463 3.763) 11.285 13.384 ( 2.634 -10.257 -8.535) 13.601 13.812 ( 3.414 -2.321 -0.733) 4.193 15.189 ( -2.021 -1.206 5.859) 6.314 15.423 ( -2.820 2.268 4.894) 6.086 15.766 ( -2.424 -7.945 -3.891) 9.173 16.434 ( 1.396 8.048 -4.617) 9.383 16.714 ( 0.499 -10.804 13.438) 17.250 17.162 ( 3.541 3.500 6.867) 8.483 17.352 ( 2.029 -5.108 -12.490) 13.646 17.840 ( -1.044 5.540 -3.770) 6.782 18.300 ( 7.209 1.746 3.666) 8.274 18.529 ( 0.065 2.206 4.370) 4.896 19.119 ( 0.479 -20.484 -5.122) 21.120 19.304 ( -0.777 -14.467 -1.027) 14.524 19.717 ( 6.044 -0.890 0.271) 6.115 19.751 ( 6.158 -1.456 -0.692) 6.366 19.994 ( -6.093 -0.777 0.789) 6.193 20.034 ( -6.315 -1.155 -0.635) 6.451 21.293 ( 3.695 22.427 1.591) 22.785 21.432 ( -2.802 23.106 -5.413) 23.897 22.984 ( -1.507 -6.998 5.285) 8.898 23.165 ( -7.425 -7.484 -0.775) 10.571 ======================= Grid point 269 (90/144) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -0.000 8.211 -6.127) 10.245 2.299 ( 0.000 18.679 -0.411) 18.684 2.374 ( -0.000 23.591 -2.044) 23.679 2.502 ( -0.000 3.261 -5.602) 6.482 4.025 ( -0.000 -6.910 9.937) 12.103 4.240 ( 0.000 6.842 5.162) 8.571 4.801 ( -0.000 -9.437 -10.641) 14.223 5.403 ( -0.000 14.214 6.359) 15.572 5.433 ( 0.000 -1.187 7.972) 8.060 5.494 ( 0.000 4.447 6.598) 7.957 6.388 ( 0.000 -12.457 -5.708) 13.703 6.765 ( -0.000 -2.808 -4.139) 5.002 7.041 ( -0.000 0.384 -0.151) 0.413 7.157 ( 0.000 4.617 1.936) 5.006 7.179 ( -0.000 2.253 -2.328) 3.240 7.240 ( 0.000 -1.796 6.450) 6.696 7.842 ( 0.000 -3.991 -4.291) 5.860 8.189 ( 0.000 1.038 3.828) 3.966 8.458 ( -0.000 -1.060 -2.291) 2.524 8.525 ( 0.000 1.346 -8.156) 8.266 8.834 ( 0.000 -4.786 0.865) 4.864 9.155 ( 0.000 -8.415 -6.692) 10.751 9.420 ( 0.000 6.008 11.955) 13.380 9.832 ( -0.000 6.570 -3.707) 7.543 12.071 ( 0.000 0.963 -1.754) 2.001 12.562 ( 0.000 10.962 4.627) 11.898 13.409 ( 0.000 -10.253 -8.513) 13.326 13.845 ( 0.000 -2.075 -0.474) 2.128 15.170 ( 0.000 -1.763 5.058) 5.357 15.395 ( 0.000 3.323 7.447) 8.155 15.742 ( 0.000 -9.027 -6.052) 10.868 16.447 ( 0.000 8.687 -5.089) 10.068 16.719 ( 0.000 -11.426 13.588) 17.754 17.195 ( 0.000 4.282 7.576) 8.702 17.373 ( 0.000 -4.674 -12.670) 13.505 17.823 ( -0.000 6.705 -3.916) 7.765 18.388 ( 0.000 2.689 2.235) 3.497 18.518 ( -0.000 0.679 7.381) 7.412 19.125 ( 0.000 -21.170 -6.342) 22.100 19.295 ( 0.000 -14.538 -1.301) 14.596 19.811 ( -0.000 -1.092 -0.224) 1.114 19.852 ( -0.000 -2.147 -1.230) 2.475 19.899 ( 0.000 -0.324 1.344) 1.382 19.933 ( 0.000 -1.260 -0.271) 1.289 21.357 ( 0.000 21.742 -1.781) 21.815 21.377 ( 0.000 23.762 -0.886) 23.779 22.983 ( 0.000 -6.743 0.890) 6.801 23.079 ( 0.000 -7.041 2.191) 7.374 ======================= Grid point 275 (91/144) ======================= q-point: ( 0.00 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 0.000 5.590 11.481) 12.770 1.593 ( 0.000 7.290 9.545) 12.011 1.853 ( 0.000 0.051 -4.328) 4.328 2.585 ( 0.000 3.842 -25.624) 25.910 3.119 ( 0.000 24.588 25.321) 35.295 3.637 ( 0.000 10.229 -1.445) 10.330 4.829 ( 0.000 -11.911 12.712) 17.420 4.831 ( 0.000 12.666 -3.746) 13.208 5.130 ( 0.000 15.090 -12.692) 19.718 5.350 ( 0.000 -11.408 -6.026) 12.901 6.362 ( 0.000 -8.294 7.387) 11.107 6.473 ( 0.000 -8.681 10.046) 13.277 6.993 ( 0.000 -0.808 -2.639) 2.760 7.488 ( 0.000 -8.486 -17.536) 19.482 7.753 ( 0.000 3.370 8.064) 8.740 8.043 ( 0.000 -2.668 -7.105) 7.589 8.142 ( 0.000 9.053 2.396) 9.364 8.277 ( 0.000 10.810 -3.806) 11.460 8.832 ( 0.000 -2.430 10.119) 10.407 9.141 ( 0.000 -7.955 -2.910) 8.470 9.164 ( 0.000 -5.089 7.698) 9.228 9.229 ( 0.000 -8.790 4.083) 9.692 9.681 ( 0.000 -4.675 -3.739) 5.986 9.729 ( 0.000 -0.704 -8.000) 8.030 12.190 ( 0.000 4.766 10.094) 11.163 12.607 ( 0.000 4.960 -8.989) 10.266 12.653 ( 0.000 -3.076 11.445) 11.851 13.163 ( 0.000 -5.165 -11.992) 13.058 15.653 ( 0.000 -0.306 4.470) 4.481 15.764 ( 0.000 -2.809 1.183) 3.048 16.050 ( 0.000 2.663 3.425) 4.339 16.120 ( 0.000 0.772 3.102) 3.196 16.437 ( 0.000 -4.501 10.121) 11.077 16.548 ( 0.000 -4.337 -3.134) 5.351 16.848 ( 0.000 -0.733 -0.335) 0.806 17.166 ( 0.000 -8.031 -9.349) 12.325 18.280 ( 0.000 2.936 0.297) 2.951 18.457 ( 0.000 -0.357 -8.088) 8.096 19.166 ( 0.000 -2.143 4.414) 4.907 19.167 ( 0.000 0.274 3.905) 3.915 19.468 ( 0.000 -0.516 0.255) 0.575 19.488 ( 0.000 -1.224 -0.663) 1.392 20.241 ( 0.000 -0.532 0.188) 0.564 20.246 ( 0.000 -0.741 0.045) 0.743 21.586 ( 0.000 16.624 4.152) 17.135 21.903 ( 0.000 12.152 -12.162) 17.192 23.252 ( 0.000 -11.232 9.427) 14.664 23.461 ( 0.000 -12.514 -1.762) 12.637 ======================= Grid point 276 (92/144) ======================= q-point: ( 0.10 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 3.256 10.972 7.061) 13.448 1.748 ( 29.631 4.636 13.240) 32.784 2.127 ( 24.088 -1.398 -5.632) 24.777 2.645 ( 6.910 4.605 -23.047) 24.497 3.121 ( 1.284 23.163 23.428) 32.970 3.656 ( 1.938 9.414 -1.964) 9.810 4.756 ( -2.801 -3.587 5.991) 7.524 4.912 ( 2.721 4.685 4.715) 7.182 5.140 ( 2.128 15.462 -13.707) 20.772 5.325 ( -2.378 -12.396 -5.982) 13.968 6.356 ( -0.670 -7.948 7.359) 10.852 6.489 ( 1.586 -8.052 10.080) 12.999 6.946 ( -4.327 -1.318 -4.405) 6.314 7.406 ( -7.440 -5.920 -11.753) 15.117 7.743 ( -3.038 2.673 3.285) 5.212 7.905 ( -7.061 3.862 -3.221) 8.669 8.224 ( 4.769 3.094 -1.805) 5.964 8.359 ( 4.960 8.349 -2.658) 10.068 8.761 ( -6.473 -2.494 11.027) 13.027 9.069 ( -5.176 -5.366 1.750) 7.658 9.179 ( -4.741 -9.162 2.234) 10.555 9.194 ( -0.001 -5.463 3.044) 6.254 9.650 ( -2.107 -3.308 -2.392) 4.594 9.690 ( -3.606 -0.388 -6.973) 7.860 12.161 ( -1.782 5.276 7.433) 9.287 12.597 ( -0.509 4.888 -6.193) 7.906 12.768 ( 9.844 -4.820 4.489) 11.844 13.252 ( 8.248 -5.531 -7.976) 12.737 15.542 ( -8.512 0.456 5.299) 10.038 15.698 ( -5.899 -2.434 -1.209) 6.494 16.030 ( -5.518 0.391 5.128) 7.542 16.178 ( 7.850 1.492 3.354) 8.665 16.511 ( 4.501 -5.083 10.130) 12.195 16.656 ( 10.770 -4.022 -5.355) 12.682 16.883 ( 4.508 -1.350 -1.589) 4.966 17.237 ( 7.147 -7.520 -6.925) 12.473 18.296 ( 1.427 3.315 -0.008) 3.609 18.475 ( 1.796 0.330 -7.105) 7.336 19.066 ( -6.454 -1.321 4.386) 7.914 19.192 ( -0.642 -2.376 3.129) 3.981 19.484 ( 1.627 -0.572 0.284) 1.748 19.510 ( 1.975 -0.936 -0.564) 2.257 20.217 ( -2.043 -0.558 0.009) 2.118 20.242 ( -0.989 -0.797 0.184) 1.283 21.589 ( 0.401 16.866 4.158) 17.376 21.900 ( -0.210 12.709 -11.915) 17.422 23.186 ( -6.352 -10.181 9.963) 15.597 23.416 ( -4.522 -12.192 -2.079) 13.168 ======================= Grid point 277 (93/144) ======================= q-point: ( 0.20 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 6.460 12.561 4.421) 14.801 2.311 ( 22.170 10.648 14.193) 28.396 2.501 ( 10.299 -1.829 -9.765) 14.310 2.906 ( 18.008 8.917 -11.614) 23.210 3.257 ( 15.288 15.777 16.876) 27.702 3.732 ( 7.358 4.618 -4.312) 9.698 4.720 ( -1.174 -9.063 11.818) 14.939 4.928 ( 0.680 12.951 -4.365) 13.684 5.227 ( 4.065 11.841 -9.168) 15.517 5.293 ( 2.245 -11.645 -4.924) 12.841 6.330 ( -2.197 -7.183 6.016) 9.624 6.532 ( 2.829 -6.242 10.336) 12.402 6.853 ( -4.582 -2.248 -6.375) 8.166 7.236 ( -9.189 -4.014 -7.809) 12.709 7.615 ( -8.245 4.718 3.387) 10.085 7.832 ( -2.143 4.426 -4.149) 6.434 8.295 ( 1.012 0.529 0.229) 1.165 8.385 ( -1.850 4.706 -3.909) 6.391 8.616 ( -8.355 -0.628 10.794) 13.664 8.945 ( -7.406 -5.230 -0.208) 9.069 9.050 ( -8.273 -6.651 1.037) 10.666 9.151 ( -4.188 -5.711 -0.951) 7.146 9.602 ( -3.615 0.383 2.336) 4.321 9.665 ( 3.145 -0.629 -3.776) 4.954 12.142 ( -0.304 5.579 2.003) 5.935 12.618 ( 2.844 7.166 -3.127) 8.320 12.955 ( 8.539 -8.307 -2.842) 12.247 13.437 ( 9.890 -6.378 -2.443) 12.019 15.382 ( -7.608 0.899 5.198) 9.258 15.581 ( -5.575 -1.929 -2.457) 6.391 15.895 ( -7.653 -0.565 5.111) 9.219 16.328 ( 6.415 -1.852 5.270) 8.507 16.561 ( 1.333 -3.109 4.186) 5.382 16.890 ( 11.783 -1.079 -2.980) 12.202 17.028 ( 9.036 -3.839 -4.564) 10.827 17.438 ( 13.448 -7.393 -2.170) 15.498 18.318 ( 0.481 4.837 -0.669) 4.906 18.520 ( 2.662 1.704 -4.144) 5.212 18.938 ( -6.199 -3.872 2.954) 7.883 19.157 ( -2.585 -4.928 1.938) 5.893 19.529 ( 2.974 -0.483 0.212) 3.021 19.559 ( 3.041 -0.751 -0.419) 3.161 20.165 ( -3.382 -0.604 -0.048) 3.436 20.204 ( -2.997 -0.953 0.149) 3.149 21.606 ( 1.470 17.461 4.087) 17.994 21.895 ( -0.304 14.287 -10.932) 17.992 23.036 ( -8.257 -8.530 10.320) 15.731 23.295 ( -7.644 -11.322 -2.644) 13.914 ======================= Grid point 278 (94/144) ======================= q-point: ( 0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 12.329 13.890 1.048) 18.601 2.533 ( 3.012 12.515 9.710) 16.123 2.623 ( 4.936 4.688 -3.463) 7.638 3.102 ( -0.050 15.369 -5.009) 16.165 3.624 ( 17.481 4.431 8.963) 20.138 3.989 ( 17.233 -1.765 -4.031) 17.786 4.689 ( -2.467 -8.918 8.187) 12.355 5.023 ( 10.337 11.981 -3.747) 16.262 5.270 ( 4.240 -7.079 -4.775) 9.534 5.453 ( 10.968 8.829 -2.762) 14.349 6.265 ( -4.437 -6.951 1.494) 8.381 6.605 ( 4.995 -3.962 11.331) 13.002 6.787 ( -2.209 -2.373 -6.503) 7.266 7.089 ( -4.927 -4.158 -6.009) 8.813 7.465 ( -6.995 5.796 3.935) 9.900 7.770 ( -5.456 4.354 -3.709) 7.905 8.180 ( -11.542 2.067 0.874) 11.758 8.356 ( -3.210 -0.751 2.546) 4.165 8.455 ( -6.022 0.923 1.800) 6.353 8.793 ( -8.530 -3.806 -6.774) 11.538 8.881 ( -7.951 -5.047 2.157) 9.662 9.064 ( -4.122 -7.051 -3.951) 9.073 9.553 ( -1.370 2.897 8.058) 8.672 9.768 ( 6.416 0.860 -0.045) 6.474 12.142 ( 0.218 6.048 -2.390) 6.506 12.695 ( 4.557 9.767 0.863) 10.813 13.086 ( 5.093 -10.441 -6.921) 13.522 13.608 ( 7.420 -6.876 0.143) 10.117 15.256 ( -5.323 0.742 4.379) 6.933 15.496 ( -3.021 -1.192 -1.988) 3.808 15.749 ( -7.229 -1.854 3.745) 8.350 16.410 ( 2.181 -9.078 9.723) 13.480 16.591 ( 1.934 3.605 -2.692) 4.897 17.093 ( 9.013 0.357 -1.392) 9.127 17.178 ( 6.092 -2.999 -5.415) 8.685 17.716 ( 13.471 -6.635 0.366) 15.021 18.315 ( -0.149 6.418 -0.221) 6.424 18.565 ( 1.475 2.380 0.071) 2.801 18.843 ( -3.436 -7.687 -1.178) 8.502 19.104 ( -2.592 -7.498 0.685) 7.963 19.600 ( 4.465 -0.480 0.083) 4.491 19.629 ( 4.350 -0.800 -0.306) 4.434 20.085 ( -4.876 -0.687 0.045) 4.924 20.125 ( -5.088 -1.080 0.005) 5.201 21.649 ( 2.923 18.094 3.550) 18.670 21.886 ( -0.759 16.495 -8.502) 18.573 22.895 ( -5.737 -7.957 8.648) 13.077 23.135 ( -8.433 -10.346 -2.660) 13.610 ======================= Grid point 279 (95/144) ======================= q-point: ( 0.40 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 15.527 14.989 -0.712) 21.593 2.548 ( -0.123 5.044 0.192) 5.050 2.683 ( 0.380 12.753 5.771) 14.003 2.976 ( -9.887 18.298 -3.914) 21.163 3.845 ( 5.863 -2.472 5.937) 8.702 4.268 ( 10.249 1.654 1.117) 10.442 4.624 ( -3.897 -8.508 -4.690) 10.468 5.266 ( 10.449 -0.142 3.899) 11.154 5.414 ( 10.232 -1.181 0.221) 10.302 5.672 ( 10.180 14.006 1.221) 17.358 6.173 ( -4.507 -9.085 -4.050) 10.920 6.694 ( 0.569 -5.116 4.558) 6.876 6.815 ( 9.542 1.070 -2.533) 9.931 7.079 ( 3.964 -3.670 -1.851) 5.710 7.343 ( -6.011 4.783 3.652) 8.506 7.567 ( -16.089 3.680 -1.859) 16.609 7.935 ( -11.564 1.375 -1.480) 11.739 8.259 ( -4.027 2.001 4.564) 6.407 8.409 ( -0.727 -2.906 -2.255) 3.749 8.630 ( -7.170 -0.607 -9.561) 11.966 8.774 ( -3.289 -4.397 1.311) 5.646 9.003 ( -2.060 -8.002 -4.908) 9.611 9.540 ( -0.250 4.948 11.788) 12.787 9.879 ( 4.397 1.648 1.772) 5.019 12.147 ( 0.243 6.591 -4.600) 8.041 12.773 ( 3.103 11.727 3.646) 12.667 13.157 ( 2.286 -11.710 -8.707) 14.771 13.717 ( 3.737 -6.854 1.017) 7.872 15.178 ( -2.741 0.289 3.221) 4.239 15.468 ( 0.059 0.833 1.161) 1.430 15.623 ( -5.557 -4.249 0.415) 7.008 16.429 ( 0.317 -13.465 11.671) 17.822 16.627 ( 1.529 7.704 -5.318) 9.485 17.227 ( 4.611 -1.945 -5.610) 7.518 17.266 ( 3.109 1.560 -0.131) 3.481 17.896 ( 4.531 -1.493 0.410) 4.788 18.356 ( 4.995 3.472 1.972) 6.395 18.560 ( -2.286 1.586 3.772) 4.687 18.804 ( -0.896 -9.681 -6.243) 11.554 19.063 ( -1.545 -9.134 -0.382) 9.272 19.701 ( 5.829 -0.639 -0.086) 5.865 19.727 ( 5.689 -1.015 -0.391) 5.792 19.978 ( -6.007 -0.737 0.287) 6.059 20.012 ( -6.425 -1.113 -0.048) 6.521 21.715 ( 3.646 18.420 1.840) 18.868 21.861 ( -1.918 18.497 -4.241) 19.073 22.828 ( -1.065 -8.065 4.665) 9.377 22.984 ( -6.868 -9.785 -1.360) 12.032 ======================= Grid point 280 (96/144) ======================= q-point: (-0.50 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 0.000 17.056 -0.307) 17.059 2.542 ( -0.000 2.315 -1.678) 2.859 2.634 ( -0.000 11.081 0.900) 11.118 2.861 ( -0.000 21.212 1.875) 21.295 3.895 ( -0.000 -3.836 5.668) 6.844 4.374 ( 0.000 6.354 7.028) 9.474 4.572 ( -0.000 -11.976 -13.621) 18.137 5.357 ( -0.000 -6.224 4.304) 7.567 5.556 ( 0.000 1.655 3.520) 3.889 5.777 ( -0.000 19.596 7.106) 20.845 6.121 ( 0.000 -12.760 -8.055) 15.090 6.682 ( -0.000 -5.084 -2.660) 5.737 7.044 ( -0.000 0.056 -0.152) 0.162 7.190 ( -0.000 -2.695 3.218) 4.198 7.228 ( 0.000 3.649 1.430) 3.919 7.276 ( 0.000 4.883 1.141) 5.015 7.807 ( 0.000 0.935 -5.169) 5.253 8.224 ( -0.000 3.022 3.995) 5.009 8.404 ( 0.000 -4.549 -1.963) 4.954 8.553 ( 0.000 1.369 -8.647) 8.755 8.744 ( 0.000 -4.145 -0.495) 4.174 8.984 ( 0.000 -8.189 -5.021) 9.606 9.538 ( 0.000 5.721 12.917) 14.127 9.923 ( 0.000 1.848 2.352) 2.991 12.150 ( 0.000 6.816 -5.228) 8.590 12.805 ( 0.000 12.483 4.610) 13.307 13.178 ( 0.000 -12.191 -9.239) 15.297 13.753 ( 0.000 -6.768 1.234) 6.880 15.151 ( 0.000 0.049 2.639) 2.639 15.481 ( 0.000 5.269 6.887) 8.671 15.557 ( 0.000 -8.795 -5.225) 10.230 16.431 ( 0.000 -14.463 11.938) 18.753 16.643 ( 0.000 8.609 -5.702) 10.326 17.271 ( 0.000 -5.357 -10.777) 12.035 17.297 ( 0.000 5.846 5.443) 7.988 17.928 ( -0.000 1.914 0.129) 1.919 18.474 ( 0.000 5.450 1.518) 5.657 18.478 ( -0.000 -3.927 6.493) 7.588 18.797 ( 0.000 -9.760 -8.007) 12.624 19.048 ( 0.000 -9.624 -0.801) 9.657 19.791 ( -0.000 -0.763 -0.640) 0.996 19.817 ( -0.000 -1.376 -0.928) 1.660 19.886 ( 0.000 -0.706 0.873) 1.123 19.914 ( 0.000 -0.898 0.411) 0.988 21.766 ( 0.000 17.998 -1.183) 18.037 21.827 ( 0.000 19.757 0.095) 19.757 22.836 ( 0.000 -7.505 0.504) 7.522 22.898 ( 0.000 -10.255 1.399) 10.350 ======================= Grid point 286 (97/144) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 0.000 5.737 4.465) 7.270 1.682 ( 0.000 -0.561 -5.191) 5.221 1.936 ( 0.000 9.830 -2.911) 10.251 2.475 ( 0.000 -11.411 -26.072) 28.460 3.631 ( 0.000 24.479 20.883) 32.176 4.009 ( 0.000 22.497 0.908) 22.515 4.522 ( 0.000 -17.407 16.075) 23.694 4.873 ( 0.000 -12.842 -5.329) 13.904 5.262 ( 0.000 6.605 0.396) 6.617 5.371 ( 0.000 7.240 -7.894) 10.712 6.223 ( 0.000 -4.638 9.432) 10.510 6.300 ( 0.000 -7.600 12.752) 14.845 7.011 ( 0.000 3.005 -13.849) 14.171 7.300 ( 0.000 -9.347 -19.796) 21.891 7.827 ( 0.000 3.686 4.388) 5.730 7.979 ( 0.000 -3.466 -3.723) 5.087 8.339 ( 0.000 9.442 5.629) 10.993 8.457 ( 0.000 5.990 1.213) 6.111 8.806 ( 0.000 -0.016 3.406) 3.406 8.972 ( 0.000 -7.747 -3.251) 8.401 9.066 ( 0.000 -4.085 9.091) 9.967 9.086 ( 0.000 -5.123 7.380) 8.984 9.627 ( 0.000 -0.654 -6.665) 6.697 9.696 ( 0.000 -2.300 -9.561) 9.833 12.304 ( 0.000 6.142 10.130) 11.846 12.560 ( 0.000 -5.374 10.657) 11.935 12.734 ( 0.000 6.839 -9.107) 11.389 13.037 ( 0.000 -6.940 -10.767) 12.810 15.656 ( 0.000 0.592 4.002) 4.046 15.713 ( 0.000 -2.107 2.367) 3.169 16.100 ( 0.000 2.009 2.213) 2.988 16.131 ( 0.000 0.230 3.005) 3.014 16.379 ( 0.000 -1.009 7.444) 7.512 16.460 ( 0.000 -3.970 -0.903) 4.071 16.858 ( 0.000 1.609 -4.455) 4.736 17.018 ( 0.000 -6.177 -8.816) 10.764 18.329 ( 0.000 2.092 -0.969) 2.305 18.423 ( 0.000 -2.388 -5.528) 6.022 19.173 ( 0.000 1.737 4.003) 4.363 19.191 ( 0.000 1.385 2.830) 3.151 19.457 ( 0.000 -0.506 0.034) 0.507 19.464 ( 0.000 -0.998 -0.316) 1.047 20.231 ( 0.000 -0.441 0.062) 0.445 20.232 ( 0.000 -0.555 0.044) 0.557 21.873 ( 0.000 11.212 2.793) 11.555 22.061 ( 0.000 3.298 -6.254) 7.070 23.091 ( 0.000 -4.117 5.555) 6.914 23.229 ( 0.000 -9.484 -1.227) 9.563 ======================= Grid point 287 (98/144) ======================= q-point: ( 0.10 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 15.923 6.268 4.699) 17.745 1.872 ( 22.795 8.772 -3.143) 24.626 2.098 ( 20.009 0.475 -3.378) 20.298 2.541 ( 8.230 -11.364 -24.227) 27.997 3.620 ( -0.565 24.161 19.760) 31.217 4.011 ( 0.101 21.759 0.508) 21.766 4.495 ( -2.226 -16.488 15.689) 22.868 4.896 ( 1.839 -15.569 -5.080) 16.480 5.236 ( -2.233 8.615 -1.348) 9.001 5.385 ( 1.662 6.658 -7.032) 9.826 6.226 ( 0.353 -3.967 9.897) 10.668 6.326 ( 2.560 -7.333 12.573) 14.778 6.962 ( -4.604 3.226 -14.486) 15.539 7.252 ( -4.963 -8.499 -17.161) 19.783 7.807 ( -2.642 3.433 3.016) 5.279 7.932 ( -3.431 -1.217 -2.951) 4.687 8.329 ( -0.180 7.045 3.313) 7.787 8.508 ( 3.059 4.227 2.977) 6.008 8.734 ( -6.358 0.674 3.015) 7.068 8.980 ( -0.448 -4.668 -1.050) 4.805 8.997 ( -6.200 -5.828 6.041) 10.436 9.089 ( -0.563 -4.975 5.859) 7.707 9.609 ( -1.059 -0.583 -4.644) 4.799 9.665 ( -2.679 -1.886 -7.719) 8.386 12.288 ( -0.861 6.942 6.567) 9.594 12.586 ( 2.344 -6.044 3.968) 7.601 12.787 ( 5.232 6.702 -4.696) 9.713 13.116 ( 7.244 -7.574 -6.969) 12.586 15.561 ( -7.601 1.397 3.895) 8.655 15.647 ( -5.846 -2.476 0.515) 6.370 16.056 ( -5.470 2.124 4.894) 7.641 16.177 ( 3.499 -1.905 4.441) 5.966 16.449 ( 6.040 -0.430 4.651) 7.635 16.566 ( 10.758 -4.405 -3.436) 12.122 16.900 ( 4.776 2.578 -3.881) 6.672 17.093 ( 7.292 -6.331 -6.422) 11.598 18.351 ( 2.118 2.331 -1.135) 3.348 18.450 ( 2.626 -2.222 -5.128) 6.175 19.091 ( -6.632 2.738 3.712) 8.078 19.172 ( -3.109 -0.518 2.690) 4.144 19.474 ( 1.855 -0.255 0.098) 1.875 19.491 ( 2.228 -0.855 -0.224) 2.397 20.209 ( -1.914 -0.189 -0.032) 1.924 20.224 ( -1.236 -0.842 0.116) 1.500 21.882 ( 0.941 11.474 2.832) 11.856 22.070 ( 0.941 3.719 -6.297) 7.373 23.038 ( -5.162 -3.691 5.862) 8.639 23.188 ( -4.184 -9.500 -1.426) 10.478 ======================= Grid point 288 (99/144) ======================= q-point: ( 0.20 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 7.725 13.485 -2.456) 15.734 2.395 ( 12.267 -6.382 -4.482) 14.537 2.507 ( 25.611 8.140 4.455) 27.240 2.895 ( 25.636 -7.600 -12.932) 29.702 3.654 ( 5.507 20.899 15.429) 26.555 4.011 ( 0.248 19.039 -0.915) 19.063 4.463 ( -0.373 -14.090 14.176) 19.990 4.925 ( 1.013 -19.045 -4.576) 19.614 5.207 ( 0.239 11.982 -4.676) 12.864 5.449 ( 5.255 4.393 -5.643) 8.875 6.232 ( 0.019 -1.562 9.898) 10.021 6.394 ( 4.355 -6.814 12.608) 14.979 6.858 ( -5.317 3.114 -14.354) 15.621 7.121 ( -7.870 -6.877 -13.215) 16.848 7.717 ( -5.968 5.045 2.336) 8.156 7.882 ( -2.144 -0.570 -3.174) 3.872 8.328 ( -0.551 4.098 3.121) 5.181 8.511 ( -4.335 5.140 0.674) 6.758 8.595 ( -6.883 -0.906 5.331) 8.753 8.835 ( -9.527 -5.748 3.036) 11.533 8.936 ( -4.587 -3.102 -1.851) 5.839 9.037 ( -5.121 -5.198 -0.761) 7.337 9.604 ( -0.324 0.255 1.926) 1.969 9.648 ( 3.146 -1.168 -2.145) 3.983 12.287 ( 0.760 8.368 0.295) 8.407 12.657 ( 5.063 -6.166 -3.052) 8.542 12.903 ( 5.891 5.919 -0.739) 8.384 13.278 ( 8.775 -8.853 -1.700) 12.580 15.412 ( -7.333 2.049 3.033) 8.195 15.529 ( -5.780 -3.020 -1.226) 6.636 15.924 ( -7.457 3.475 5.479) 9.884 16.200 ( -0.971 -8.442 7.722) 11.482 16.590 ( 7.712 4.208 -2.067) 9.025 16.809 ( 12.442 -5.530 -5.728) 14.771 17.041 ( 9.275 3.782 -0.803) 10.048 17.286 ( 12.451 -7.201 -2.085) 14.534 18.398 ( 2.329 3.233 -1.487) 4.253 18.515 ( 3.710 -1.913 -4.145) 5.883 18.942 ( -8.229 3.078 3.328) 9.395 19.085 ( -5.326 -2.814 2.012) 6.351 19.522 ( 3.084 -0.035 0.112) 3.086 19.543 ( 3.083 -0.773 -0.179) 3.183 20.157 ( -3.399 -0.048 -0.083) 3.400 20.182 ( -3.159 -1.073 0.112) 3.339 21.913 ( 2.325 12.186 2.897) 12.739 22.099 ( 2.081 5.135 -6.304) 8.393 22.907 ( -7.836 -3.253 6.389) 10.621 23.076 ( -7.112 -9.525 -1.841) 12.029 ======================= Grid point 289 (100/144) ======================= q-point: ( 0.30 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 12.540 13.148 -1.752) 18.253 2.524 ( 4.145 -4.905 -5.101) 8.201 2.864 ( 9.610 11.877 12.916) 20.006 3.253 ( 7.526 -2.361 -3.403) 8.590 3.814 ( 7.260 12.956 4.551) 15.533 4.085 ( 9.449 10.320 -2.624) 14.237 4.492 ( 2.606 -8.370 8.936) 12.518 4.962 ( 4.169 -16.908 -1.327) 17.465 5.282 ( 8.017 10.513 -6.717) 14.830 5.591 ( 9.307 0.184 -5.095) 10.612 6.217 ( -1.747 3.060 7.626) 8.401 6.490 ( 5.290 -6.822 12.523) 15.211 6.785 ( -1.481 2.397 -11.555) 11.894 6.988 ( -4.454 -5.477 -9.975) 12.220 7.597 ( -6.397 6.768 2.062) 9.538 7.817 ( -5.717 -0.968 -2.038) 6.146 8.247 ( -10.266 4.687 3.572) 11.837 8.389 ( -4.012 3.868 -1.852) 5.873 8.449 ( -9.310 -1.468 4.564) 10.472 8.685 ( -5.189 -6.888 -1.809) 8.811 8.812 ( -7.265 -1.094 -2.619) 7.800 8.924 ( -5.451 -6.032 -4.647) 9.364 9.616 ( 1.590 3.393 8.039) 8.870 9.754 ( 6.444 -2.121 3.952) 7.851 12.311 ( 1.440 10.046 -4.534) 11.116 12.770 ( 6.022 -7.931 -6.027) 11.640 12.999 ( 3.900 7.283 0.981) 8.319 13.434 ( 6.930 -9.868 1.146) 12.113 15.287 ( -5.445 2.338 1.802) 6.194 15.437 ( -3.502 -4.073 -2.430) 5.895 15.783 ( -6.900 4.947 5.812) 10.289 16.166 ( -2.028 -12.276 8.765) 15.220 16.720 ( 5.465 7.136 -5.134) 10.352 17.006 ( 7.693 -6.325 -7.892) 12.707 17.232 ( 9.622 5.653 2.260) 11.387 17.551 ( 13.713 -8.787 1.254) 16.335 18.430 ( 0.940 4.789 -1.545) 5.119 18.581 ( 2.844 -1.487 -2.892) 4.320 18.792 ( -6.870 2.280 1.907) 7.485 18.983 ( -4.891 -4.983 1.126) 7.073 19.594 ( 4.383 -0.037 0.022) 4.383 19.613 ( 4.258 -0.777 -0.165) 4.331 20.076 ( -4.976 -0.086 -0.050) 4.977 20.102 ( -5.123 -1.137 0.066) 5.248 21.972 ( 3.798 13.209 2.698) 14.006 22.147 ( 2.709 8.069 -5.738) 10.265 22.757 ( -7.132 -4.473 6.311) 10.521 22.925 ( -8.076 -9.647 -2.072) 12.751 ======================= Grid point 290 (101/144) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( 15.923 11.260 0.531) 19.509 2.579 ( 1.781 0.432 -0.895) 2.039 2.931 ( -2.367 10.590 12.863) 16.829 3.226 ( -6.075 3.700 2.041) 7.400 3.895 ( 2.164 7.428 -1.805) 7.944 4.272 ( 6.461 -3.676 -7.889) 10.840 4.527 ( 1.099 2.951 5.350) 6.209 5.084 ( 6.529 -14.168 2.905) 15.869 5.484 ( 10.627 5.980 -4.968) 13.168 5.783 ( 9.201 -5.079 -6.793) 12.514 6.171 ( -2.508 9.473 5.618) 11.295 6.560 ( 0.919 -7.568 6.146) 9.792 6.851 ( 9.710 2.540 -4.758) 11.107 6.999 ( 5.921 -4.012 -4.717) 8.568 7.458 ( -8.595 5.926 2.311) 10.693 7.612 ( -15.642 0.093 0.678) 15.657 8.007 ( -11.445 5.400 -1.646) 12.762 8.300 ( -4.498 -5.699 -0.825) 7.307 8.346 ( -1.540 4.950 1.726) 5.464 8.609 ( -3.176 -2.878 -7.121) 8.311 8.700 ( -3.725 -1.514 0.007) 4.021 8.845 ( -2.654 -7.060 -4.731) 8.903 9.649 ( 1.453 5.743 11.742) 13.152 9.863 ( 4.213 -3.018 6.909) 8.637 12.336 ( 1.013 11.367 -7.097) 13.439 12.870 ( 3.904 -11.450 -8.184) 14.605 13.053 ( 1.758 10.710 2.940) 11.245 13.537 ( 3.683 -10.317 2.239) 11.181 15.205 ( -2.929 2.471 0.628) 3.883 15.395 ( -1.028 -5.960 -3.343) 6.911 15.669 ( -4.570 7.019 6.371) 10.523 16.132 ( -1.256 -14.284 9.301) 17.092 16.799 ( 2.695 8.383 -5.969) 10.638 17.113 ( 3.575 -6.583 -8.540) 11.360 17.385 ( 5.692 7.474 3.775) 10.125 17.770 ( 8.030 -9.424 2.981) 12.734 18.444 ( 0.877 5.020 -0.941) 5.183 18.615 ( 0.312 1.504 -0.523) 1.623 18.690 ( -3.326 -0.904 -1.801) 3.889 18.907 ( -2.693 -6.512 0.159) 7.049 19.692 ( 5.665 -0.161 -0.169) 5.670 19.708 ( 5.508 -0.820 -0.288) 5.576 19.968 ( -6.083 -0.202 0.122) 6.088 19.989 ( -6.323 -1.066 0.129) 6.413 22.053 ( 4.186 14.431 1.550) 15.105 22.188 ( 1.039 12.773 -3.154) 13.197 22.656 ( -2.648 -8.197 4.354) 9.652 22.776 ( -7.060 -10.065 -1.580) 12.395 ======================= Grid point 291 (102/144) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( -0.000 3.302 1.338) 3.563 2.745 ( 0.000 -0.192 3.329) 3.334 2.764 ( -0.000 19.065 6.145) 20.031 3.160 ( 0.000 6.012 6.810) 9.084 3.915 ( 0.000 5.743 -2.485) 6.258 4.326 ( 0.000 -11.769 -12.293) 17.019 4.540 ( -0.000 10.892 6.147) 12.507 5.153 ( 0.000 -13.606 4.024) 14.188 5.601 ( 0.000 3.534 -3.513) 4.983 5.885 ( -0.000 -9.979 -9.484) 13.767 6.142 ( 0.000 14.960 7.103) 16.561 6.558 ( -0.000 -6.955 1.321) 7.080 7.054 ( 0.000 1.121 -1.715) 2.049 7.138 ( -0.000 -2.366 -1.544) 2.825 7.302 ( 0.000 3.193 2.289) 3.929 7.348 ( -0.000 1.801 2.585) 3.150 7.886 ( 0.000 6.606 -4.416) 7.946 8.265 ( -0.000 -8.741 -2.652) 9.134 8.328 ( 0.000 7.014 3.077) 7.660 8.574 ( 0.000 -0.304 -8.535) 8.540 8.666 ( 0.000 -2.519 0.281) 2.535 8.820 ( 0.000 -7.512 -4.262) 8.637 9.664 ( 0.000 6.573 12.870) 14.451 9.905 ( 0.000 -3.383 7.843) 8.541 12.346 ( 0.000 11.850 -7.863) 14.221 12.909 ( 0.000 -13.804 -9.408) 16.705 13.070 ( 0.000 13.062 4.188) 13.717 13.573 ( 0.000 -10.413 2.510) 10.712 15.177 ( 0.000 2.518 0.139) 2.522 15.387 ( 0.000 -7.453 -3.898) 8.411 15.621 ( 0.000 8.557 6.854) 10.963 16.120 ( 0.000 -14.945 9.502) 17.710 16.825 ( 0.000 8.746 -6.115) 10.672 17.148 ( 0.000 -6.638 -8.606) 10.868 17.441 ( 0.000 8.178 4.198) 9.193 17.847 ( 0.000 -9.001 3.643) 9.710 18.460 ( 0.000 3.113 -0.246) 3.123 18.602 ( 0.000 6.746 0.860) 6.801 18.666 ( -0.000 -4.915 -4.315) 6.541 18.881 ( 0.000 -7.015 -0.300) 7.022 19.781 ( -0.000 -0.244 -0.756) 0.794 19.794 ( 0.000 -0.877 -0.825) 1.204 19.875 ( 0.000 -0.262 0.690) 0.738 19.894 ( -0.000 -0.975 0.644) 1.169 22.106 ( 0.000 15.241 -0.696) 15.256 22.189 ( 0.000 15.319 0.708) 15.335 22.666 ( -0.000 -12.167 0.550) 12.180 22.670 ( 0.000 -8.834 0.588) 8.854 ======================= Grid point 297 (103/144) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 0.000 -4.797 -1.564) 5.046 1.615 ( 0.000 4.797 -1.564) 5.046 2.200 ( 0.000 -14.127 -16.322) 21.586 2.200 ( 0.000 14.127 -16.322) 21.586 4.108 ( 0.000 -21.336 18.356) 28.146 4.108 ( 0.000 21.336 18.356) 28.146 4.488 ( 0.000 -21.662 -2.508) 21.807 4.488 ( 0.000 21.662 -2.508) 21.807 5.405 ( 0.000 -3.857 -1.670) 4.203 5.405 ( 0.000 3.857 -1.670) 4.203 6.193 ( 0.000 -2.072 11.912) 12.091 6.193 ( 0.000 2.072 11.912) 12.091 7.121 ( 0.000 -7.499 -19.792) 21.165 7.121 ( 0.000 7.499 -19.792) 21.165 7.904 ( 0.000 -3.747 0.222) 3.754 7.904 ( 0.000 3.747 0.222) 3.754 8.488 ( 0.000 -3.621 5.909) 6.931 8.488 ( 0.000 3.621 5.909) 6.931 8.845 ( 0.000 -4.177 -2.372) 4.804 8.845 ( 0.000 4.177 -2.372) 4.804 9.024 ( 0.000 -0.566 9.677) 9.693 9.024 ( 0.000 0.566 9.677) 9.693 9.646 ( 0.000 -2.130 -9.201) 9.444 9.646 ( 0.000 2.130 -9.201) 9.444 12.436 ( 0.000 -6.445 10.362) 12.203 12.436 ( 0.000 6.445 10.362) 12.203 12.885 ( 0.000 -7.574 -9.844) 12.420 12.885 ( 0.000 7.574 -9.844) 12.420 15.677 ( 0.000 -1.419 3.320) 3.611 15.677 ( 0.000 1.419 3.320) 3.611 16.128 ( 0.000 -0.663 2.519) 2.605 16.128 ( 0.000 0.663 2.519) 2.605 16.394 ( 0.000 -2.218 2.901) 3.652 16.394 ( 0.000 2.218 2.901) 3.652 16.914 ( 0.000 -3.866 -7.109) 8.093 16.914 ( 0.000 3.866 -7.109) 8.093 18.373 ( 0.000 -2.305 -2.935) 3.732 18.373 ( 0.000 2.305 -2.935) 3.732 19.202 ( 0.000 -0.569 3.070) 3.123 19.202 ( 0.000 0.569 3.070) 3.123 19.452 ( 0.000 -0.117 -0.103) 0.156 19.452 ( 0.000 0.117 -0.103) 0.156 20.226 ( 0.000 -0.037 0.008) 0.038 20.226 ( 0.000 0.037 0.008) 0.038 22.042 ( 0.000 -4.893 -0.583) 4.928 22.042 ( 0.000 4.893 -0.583) 4.928 23.088 ( 0.000 -3.739 1.202) 3.928 23.088 ( 0.000 3.739 1.202) 3.928 ======================= Grid point 299 (104/144) ======================= q-point: ( 0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 24.370 -3.185 0.014) 24.577 1.918 ( 24.370 3.185 0.014) 24.577 2.268 ( 9.454 -13.612 -15.565) 22.736 2.268 ( 9.454 13.612 -15.565) 22.736 4.089 ( -1.736 -20.670 18.093) 27.525 4.089 ( -1.736 20.670 18.093) 27.525 4.490 ( 0.238 -21.575 -2.897) 21.770 4.490 ( 0.238 21.575 -2.897) 21.769 5.401 ( -0.216 -4.795 -2.545) 5.433 5.401 ( -0.216 4.795 -2.545) 5.433 6.214 ( 2.140 -2.851 12.162) 12.673 6.214 ( 2.140 2.851 12.162) 12.673 7.079 ( -4.268 -7.675 -18.755) 20.710 7.079 ( -4.268 7.675 -18.755) 20.710 7.879 ( -2.400 -3.367 -0.173) 4.139 7.879 ( -2.400 3.367 -0.173) 4.139 8.476 ( -0.982 -6.009 5.200) 8.007 8.476 ( -0.982 6.009 5.200) 8.007 8.826 ( -3.178 -7.150 -0.395) 7.834 8.826 ( -3.178 7.150 -0.395) 7.834 9.002 ( -1.790 -2.980 6.726) 7.571 9.002 ( -1.790 2.980 6.726) 7.571 9.624 ( -1.640 -1.727 -6.951) 7.348 9.624 ( -1.640 1.727 -6.951) 7.348 12.440 ( 0.786 -7.555 5.812) 9.564 12.440 ( 0.786 7.555 5.812) 9.564 12.949 ( 5.936 -8.325 -6.233) 11.974 12.949 ( 5.936 8.325 -6.233) 11.974 15.599 ( -6.614 -2.166 2.305) 7.331 15.599 ( -6.614 2.166 2.305) 7.331 16.115 ( -2.493 -3.421 4.960) 6.521 16.115 ( -2.493 3.421 4.960) 6.521 16.485 ( 9.177 -3.245 -0.321) 9.739 16.485 ( 9.177 3.245 -0.321) 9.739 16.978 ( 6.332 -4.791 -5.357) 9.578 16.978 ( 6.332 4.791 -5.357) 9.578 18.400 ( 2.575 -2.448 -2.860) 4.561 18.400 ( 2.575 2.448 -2.860) 4.561 19.146 ( -5.279 -2.124 2.874) 6.375 19.146 ( -5.279 2.124 2.874) 6.375 19.477 ( 2.202 -0.504 -0.017) 2.259 19.477 ( 2.202 0.504 -0.017) 2.259 20.211 ( -1.592 -0.411 0.003) 1.644 20.211 ( -1.592 0.411 0.003) 1.644 22.054 ( 1.336 -4.952 -0.565) 5.161 22.054 ( 1.336 4.952 -0.565) 5.161 23.043 ( -4.521 -4.035 1.196) 6.177 23.043 ( -4.521 4.035 1.196) 6.177 ======================= Grid point 301 (105/144) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 8.800 -10.424 -5.220) 14.607 2.220 ( 8.800 10.424 -5.220) 14.607 2.698 ( 28.346 -10.096 -4.199) 30.382 2.698 ( 28.346 10.096 -4.199) 30.382 4.063 ( -0.223 -17.483 15.214) 23.177 4.063 ( -0.223 17.483 15.214) 23.177 4.504 ( 1.680 -20.435 -3.043) 20.728 4.504 ( 1.680 20.435 -3.043) 20.728 5.411 ( 1.727 -6.987 -4.485) 8.480 5.411 ( 1.727 6.987 -4.485) 8.480 6.271 ( 3.545 -4.631 12.521) 13.813 6.271 ( 3.545 4.631 12.521) 13.813 6.971 ( -6.263 -7.110 -16.140) 18.716 6.971 ( -6.263 7.110 -16.140) 18.716 7.819 ( -3.646 -4.608 -0.839) 5.935 7.819 ( -3.646 4.608 -0.839) 5.935 8.453 ( -1.661 -6.733 4.573) 8.307 8.453 ( -1.661 6.733 4.573) 8.307 8.697 ( -9.572 -7.293 1.636) 12.144 8.697 ( -9.572 7.293 1.636) 12.144 8.946 ( -4.709 -3.222 -0.582) 5.735 8.946 ( -4.709 3.222 -0.582) 5.735 9.620 ( 1.975 -1.281 -0.006) 2.354 9.620 ( 1.975 1.281 -0.006) 2.354 12.476 ( 2.918 -9.625 -1.197) 10.128 12.476 ( 2.918 9.625 -1.197) 10.128 13.083 ( 7.258 -9.767 -1.253) 12.233 13.083 ( 7.258 9.767 -1.253) 12.233 15.465 ( -6.674 -2.981 0.846) 7.359 15.465 ( -6.674 2.981 0.846) 7.359 16.035 ( -5.144 -7.006 6.173) 10.660 16.035 ( -5.144 7.006 6.173) 10.660 16.693 ( 10.801 -5.503 -3.923) 12.741 16.693 ( 10.801 5.503 -3.923) 12.741 17.147 ( 10.831 -6.152 -1.553) 12.553 17.147 ( 10.831 6.152 -1.553) 12.553 18.461 ( 3.411 -2.953 -2.692) 5.254 18.461 ( 3.411 2.953 -2.692) 5.254 19.019 ( -7.351 -3.709 2.470) 8.596 19.019 ( -7.351 3.709 2.470) 8.596 19.528 ( 3.116 -0.563 0.002) 3.167 19.528 ( 3.116 0.563 0.002) 3.167 20.164 ( -3.307 -0.648 -0.012) 3.369 20.164 ( -3.307 0.648 -0.012) 3.369 22.097 ( 3.080 -5.121 -0.482) 5.995 22.097 ( 3.080 5.121 -0.482) 5.995 22.923 ( -7.595 -4.656 1.131) 8.980 22.923 ( -7.595 4.656 1.131) 8.980 ======================= Grid point 303 (106/144) ======================= q-point: ( 0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 9.280 -8.453 -3.246) 12.966 2.388 ( 9.280 8.453 -3.246) 12.966 3.095 ( 10.467 -10.539 4.529) 15.528 3.095 ( 10.467 10.539 4.529) 15.528 4.088 ( 1.836 -11.450 4.007) 12.269 4.088 ( 1.836 11.450 4.007) 12.269 4.590 ( 7.783 -17.133 0.460) 18.824 4.590 ( 7.783 17.133 0.460) 18.824 5.485 ( 6.152 -8.582 -6.501) 12.400 5.485 ( 6.152 8.582 -6.501) 12.400 6.341 ( 3.360 -7.345 11.663) 14.187 6.341 ( 3.360 7.345 11.663) 14.187 6.872 ( -2.688 -5.453 -12.232) 13.659 6.872 ( -2.688 5.453 -12.232) 13.659 7.734 ( -5.627 -6.127 -0.517) 8.335 7.734 ( -5.627 6.127 -0.517) 8.335 8.360 ( -10.076 -5.306 3.622) 11.950 8.360 ( -10.076 5.306 3.622) 11.950 8.530 ( -4.731 -7.550 -0.320) 8.916 8.530 ( -4.731 7.550 -0.320) 8.916 8.831 ( -6.253 -2.804 -4.240) 8.059 8.831 ( -6.253 2.804 -4.240) 8.059 9.691 ( 4.549 -3.664 6.683) 8.876 9.691 ( 4.549 3.664 6.683) 8.876 12.541 ( 3.443 -11.903 -5.982) 13.759 12.541 ( 3.443 11.903 -5.982) 13.759 13.213 ( 5.894 -11.223 1.716) 12.793 13.213 ( 5.894 11.223 1.716) 12.793 15.352 ( -4.860 -3.846 -0.552) 6.222 15.352 ( -4.860 3.846 -0.552) 6.222 15.936 ( -4.682 -9.603 6.810) 12.670 15.936 ( -4.682 9.603 6.810) 12.670 16.867 ( 6.969 -7.019 -6.213) 11.680 16.867 ( 6.969 7.019 -6.213) 11.680 17.374 ( 11.731 -7.978 1.654) 14.283 17.374 ( 11.731 7.978 1.654) 14.283 18.519 ( 2.374 -3.878 -2.520) 5.199 18.519 ( 2.374 3.878 -2.520) 5.199 18.880 ( -6.600 -5.062 1.728) 8.495 18.880 ( -6.600 5.062 1.728) 8.495 19.599 ( 4.290 -0.510 -0.047) 4.320 19.599 ( 4.290 0.510 -0.047) 4.320 20.082 ( -5.073 -0.663 -0.006) 5.116 20.082 ( -5.073 0.663 -0.006) 5.116 22.175 ( 5.021 -5.427 -0.307) 7.399 22.175 ( 5.021 5.427 -0.307) 7.399 22.762 ( -8.741 -5.173 0.958) 10.202 22.762 ( -8.741 5.173 0.958) 10.202 ======================= Grid point 305 (107/144) ======================= q-point: ( 0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 9.024 -1.924 0.828) 9.264 2.573 ( 9.024 1.924 0.828) 9.264 3.145 ( -2.721 -9.294 9.227) 13.376 3.145 ( -2.721 9.294 9.227) 13.376 4.100 ( -0.366 -10.760 -6.153) 12.401 4.100 ( -0.366 10.760 -6.153) 12.401 4.758 ( 7.365 -15.906 3.741) 17.923 4.758 ( 7.365 15.906 3.741) 17.923 5.630 ( 7.373 -7.867 -7.787) 13.299 5.630 ( 7.373 7.867 -7.787) 13.299 6.384 ( 0.993 -9.606 7.597) 12.287 6.384 ( 0.993 9.606 7.597) 12.287 6.918 ( 8.077 -3.753 -5.883) 10.674 6.918 ( 8.077 3.753 -5.883) 10.674 7.567 ( -12.358 -4.175 1.414) 13.120 7.567 ( -12.358 4.175 1.414) 13.120 8.146 ( -8.743 -7.750 -1.634) 11.797 8.146 ( -8.743 7.750 -1.634) 11.797 8.492 ( -0.680 -7.442 0.179) 7.475 8.492 ( -0.680 7.442 0.179) 7.475 8.730 ( -3.784 -3.776 -4.669) 7.098 8.730 ( -3.784 3.776 -4.669) 7.098 9.770 ( 3.085 -5.595 10.225) 12.057 9.770 ( 3.085 5.595 10.225) 12.057 12.597 ( 2.121 -13.529 -8.386) 16.058 12.597 ( 2.121 13.529 -8.386) 16.058 13.303 ( 3.254 -12.169 3.089) 12.970 13.303 ( 3.254 12.169 3.089) 12.970 15.280 ( -2.493 -4.752 -1.661) 5.618 15.280 ( -2.493 4.752 -1.661) 5.618 15.863 ( -2.708 -11.521 7.426) 13.972 15.863 ( -2.708 11.521 7.426) 13.972 16.966 ( 3.309 -7.691 -6.899) 10.849 16.966 ( 3.309 7.691 -6.899) 10.849 17.564 ( 7.121 -9.733 3.271) 12.495 17.564 ( 7.121 9.733 3.271) 12.495 18.551 ( 0.963 -4.979 -2.394) 5.608 18.551 ( 0.963 4.979 -2.394) 5.608 18.778 ( -3.689 -6.128 0.738) 7.191 18.778 ( -3.689 6.128 0.738) 7.191 19.695 ( 5.536 -0.420 -0.215) 5.556 19.695 ( 5.536 0.420 -0.215) 5.556 19.971 ( -6.205 -0.552 0.120) 6.230 19.971 ( -6.205 0.552 0.120) 6.230 22.288 ( 6.528 -6.161 -0.077) 8.977 22.288 ( 6.528 6.161 -0.077) 8.977 22.594 ( -8.431 -5.506 0.725) 10.095 22.594 ( -8.431 5.506 0.725) 10.095 ======================= Grid point 307 (108/144) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( 0.000 -4.640 3.274) 5.678 2.679 ( 0.000 4.640 3.274) 5.678 3.094 ( 0.000 -11.279 9.295) 14.616 3.094 ( 0.000 11.279 9.295) 14.616 4.093 ( 0.000 -10.566 -8.640) 13.648 4.093 ( 0.000 10.566 -8.640) 13.648 4.831 ( 0.000 -16.315 4.162) 16.838 4.831 ( 0.000 16.315 4.162) 16.838 5.710 ( 0.000 -6.966 -8.067) 10.658 5.710 ( 0.000 6.966 -8.067) 10.658 6.391 ( 0.000 -9.637 5.214) 10.957 6.391 ( 0.000 9.637 5.214) 10.957 7.091 ( 0.000 -2.209 -3.093) 3.801 7.091 ( 0.000 2.209 -3.093) 3.801 7.351 ( -0.000 -1.344 2.761) 3.071 7.351 ( 0.000 1.344 2.761) 3.071 8.064 ( 0.000 -10.012 -3.526) 10.615 8.064 ( 0.000 10.012 -3.526) 10.615 8.486 ( 0.000 -7.243 0.089) 7.244 8.486 ( 0.000 7.243 0.089) 7.244 8.693 ( 0.000 -4.344 -4.562) 6.299 8.693 ( 0.000 4.344 -4.562) 6.299 9.800 ( 0.000 -6.284 11.315) 12.942 9.800 ( 0.000 6.284 11.315) 12.942 12.618 ( 0.000 -14.084 -9.080) 16.757 12.618 ( 0.000 14.084 -9.080) 16.757 13.335 ( 0.000 -12.469 3.474) 12.944 13.335 ( 0.000 12.469 3.474) 12.944 15.256 ( 0.000 -5.180 -2.095) 5.588 15.256 ( 0.000 5.180 -2.095) 5.588 15.836 ( 0.000 -12.278 7.692) 14.488 15.836 ( 0.000 12.278 7.692) 14.488 16.997 ( 0.000 -7.896 -7.003) 10.554 16.997 ( 0.000 7.896 -7.003) 10.554 17.634 ( 0.000 -10.401 3.834) 11.086 17.634 ( 0.000 10.402 3.834) 11.086 18.560 ( 0.000 -5.482 -2.372) 5.974 18.560 ( 0.000 5.482 -2.372) 5.974 18.742 ( 0.000 -6.728 0.242) 6.732 18.742 ( 0.000 6.728 0.242) 6.732 19.782 ( -0.000 -0.339 -0.781) 0.852 19.782 ( -0.000 0.339 -0.781) 0.852 19.878 ( 0.000 -0.514 0.667) 0.842 19.878 ( 0.000 0.514 0.667) 0.842 22.401 ( 0.000 -13.515 -0.156) 13.516 22.401 ( 0.000 13.515 -0.156) 13.516 22.463 ( 0.000 -11.468 0.803) 11.496 22.463 ( 0.000 11.468 0.803) 11.496 ======================= Grid point 363 (109/144) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 0.000 0.000 -5.093) 5.093 1.469 ( 0.000 0.000 5.093) 5.093 1.669 ( 0.000 0.000 -11.605) 11.605 1.669 ( 0.000 0.000 11.605) 11.605 3.300 ( 0.000 0.000 -50.260) 50.260 3.300 ( 0.000 0.000 50.260) 50.260 3.941 ( 0.000 0.000 -6.373) 6.373 3.941 ( 0.000 0.000 6.373) 6.373 5.477 ( 0.000 0.000 -15.101) 15.101 5.477 ( 0.000 0.000 15.101) 15.101 6.763 ( 0.000 0.000 -3.063) 3.063 6.763 ( 0.000 0.000 3.063) 3.063 7.459 ( 0.000 0.000 -18.523) 18.523 7.459 ( 0.000 0.000 18.523) 18.523 7.762 ( 0.000 0.000 -2.937) 2.937 7.762 ( 0.000 0.000 2.937) 2.937 7.880 ( 0.000 0.000 -11.708) 11.708 7.880 ( 0.000 0.000 11.708) 11.708 9.265 ( 0.000 0.000 -13.440) 13.440 9.265 ( 0.000 0.000 13.440) 13.440 9.489 ( 0.000 0.000 -5.298) 5.298 9.489 ( 0.000 0.000 5.298) 5.298 9.948 ( 0.000 0.000 -12.159) 12.159 9.948 ( 0.000 0.000 12.159) 12.159 12.269 ( 0.000 0.000 -10.355) 10.355 12.269 ( 0.000 0.000 10.355) 10.355 12.985 ( 0.000 0.000 -15.456) 15.456 12.985 ( 0.000 0.000 15.456) 15.456 15.813 ( 0.000 0.000 -5.984) 5.984 15.813 ( 0.000 0.000 5.984) 5.984 16.078 ( 0.000 0.000 -3.254) 3.254 16.078 ( 0.000 0.000 3.254) 3.254 16.648 ( 0.000 0.000 -0.369) 0.369 16.648 ( 0.000 0.000 0.369) 0.369 17.456 ( 0.000 0.000 -5.300) 5.300 17.456 ( 0.000 0.000 5.300) 5.300 18.097 ( 0.000 0.000 -10.741) 10.741 18.097 ( 0.000 0.000 10.741) 10.741 19.507 ( 0.000 0.000 -1.240) 1.240 19.507 ( 0.000 0.000 1.240) 1.240 19.961 ( 0.000 0.000 -2.722) 2.722 19.961 ( 0.000 0.000 2.722) 2.722 20.231 ( 0.000 0.000 -1.582) 1.582 20.231 ( 0.000 0.000 1.582) 1.582 20.355 ( 0.000 0.000 -1.047) 1.047 20.355 ( 0.000 0.000 1.047) 1.047 24.045 ( 0.000 0.000 -0.893) 0.893 24.045 ( 0.000 0.000 0.893) 0.893 ======================= Grid point 365 (110/144) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 0.849 0.000 -11.722) 11.753 1.527 ( 0.849 0.000 11.722) 11.753 1.871 ( 20.787 0.000 -18.067) 27.541 1.871 ( 20.787 0.000 18.067) 27.541 3.364 ( 8.252 0.000 -46.686) 47.409 3.364 ( 8.252 0.000 46.686) 47.409 3.978 ( 3.394 0.000 -5.905) 6.811 3.978 ( 3.394 0.000 5.905) 6.811 5.462 ( -1.559 0.000 -14.271) 14.355 5.462 ( -1.559 0.000 14.271) 14.355 6.755 ( -0.833 0.000 -2.928) 3.044 6.755 ( -0.833 0.000 2.928) 3.044 7.442 ( -2.256 0.000 -18.776) 18.911 7.442 ( -2.256 0.000 18.776) 18.911 7.566 ( -11.274 0.000 -7.510) 13.546 7.566 ( -11.274 0.000 7.510) 13.546 8.059 ( 9.896 0.000 -6.120) 11.635 8.059 ( 9.896 0.000 6.120) 11.635 9.219 ( -4.701 0.000 -11.161) 12.110 9.219 ( -4.701 0.000 11.161) 12.110 9.459 ( -3.813 0.000 -5.496) 6.689 9.459 ( -3.813 0.000 5.496) 6.689 9.803 ( -12.507 0.000 -8.503) 15.124 9.803 ( -12.507 0.000 8.503) 15.124 12.216 ( -3.454 0.000 -10.331) 10.893 12.216 ( -3.454 0.000 10.331) 10.893 13.146 ( 13.368 0.000 -8.938) 16.081 13.146 ( 13.368 0.000 8.938) 16.081 15.701 ( -8.571 0.000 -6.726) 10.895 15.701 ( -8.571 0.000 6.726) 10.895 16.117 ( 1.606 0.000 -0.516) 1.686 16.117 ( 1.606 0.000 0.516) 1.686 16.744 ( 8.851 0.000 -1.900) 9.053 16.744 ( 8.851 0.000 1.900) 9.053 17.483 ( 2.296 0.000 -2.620) 3.484 17.483 ( 2.296 0.000 2.620) 3.484 18.106 ( 1.326 0.000 -9.892) 9.980 18.106 ( 1.326 0.000 9.892) 9.980 19.521 ( 1.498 0.000 -1.207) 1.924 19.521 ( 1.498 0.000 1.207) 1.924 19.978 ( 1.633 0.000 -0.532) 1.717 19.978 ( 1.633 0.000 0.532) 1.717 20.225 ( -0.562 0.000 -1.350) 1.463 20.225 ( -0.562 0.000 1.350) 1.463 20.347 ( -0.864 0.000 -0.448) 0.973 20.347 ( -0.864 0.000 0.448) 0.973 23.938 ( -10.261 0.000 -1.554) 10.378 23.938 ( -10.261 0.000 1.554) 10.378 ======================= Grid point 367 (111/144) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -0.063 0.000 -8.466) 8.466 1.522 ( -0.063 0.000 8.466) 8.466 2.224 ( 11.013 0.000 -20.500) 23.271 2.224 ( 11.013 0.000 20.500) 23.271 3.708 ( 27.885 0.000 -34.336) 44.233 3.708 ( 27.885 0.000 34.336) 44.233 4.054 ( 4.468 0.000 -4.507) 6.346 4.054 ( 4.468 0.000 4.507) 6.346 5.417 ( -3.111 0.000 -11.826) 12.229 5.417 ( -3.111 0.000 11.826) 12.229 6.734 ( -1.176 0.000 -2.365) 2.641 6.734 ( -1.176 0.000 2.365) 2.641 7.313 ( -9.310 0.000 -13.501) 16.400 7.313 ( -9.310 0.000 13.501) 16.400 7.442 ( -2.962 0.000 -13.133) 13.463 7.442 ( -2.962 0.000 13.133) 13.463 8.200 ( 4.218 0.000 -3.641) 5.572 8.200 ( 4.218 0.000 3.641) 5.572 9.067 ( -12.140 0.000 -0.379) 12.146 9.067 ( -12.140 0.000 0.379) 12.146 9.325 ( -8.167 0.000 -0.054) 8.167 9.325 ( -8.167 0.000 0.054) 8.167 9.596 ( -7.327 0.000 -4.570) 8.635 9.596 ( -7.327 0.000 4.570) 8.635 12.179 ( -0.254 0.000 -7.370) 7.374 12.179 ( -0.254 0.000 7.370) 7.374 13.399 ( 11.525 0.000 -1.472) 11.619 13.399 ( 11.525 0.000 1.472) 11.619 15.545 ( -6.941 0.000 -7.003) 9.860 15.545 ( -6.941 0.000 7.003) 9.860 16.115 ( -1.388 0.000 -3.769) 4.017 16.115 ( -1.388 0.000 3.769) 4.017 16.933 ( 9.482 0.000 -0.594) 9.501 16.933 ( 9.482 0.000 0.594) 9.501 17.515 ( 0.279 0.000 -0.012) 0.279 17.515 ( 0.279 0.000 0.012) 0.279 18.166 ( 5.044 0.000 -7.813) 9.300 18.166 ( 5.044 0.000 7.813) 9.300 19.563 ( 2.708 0.000 -1.063) 2.909 19.563 ( 2.708 0.000 1.063) 2.909 20.012 ( 1.247 0.000 -2.523) 2.814 20.012 ( 1.247 0.000 2.523) 2.814 20.217 ( 0.138 0.000 -1.086) 1.095 20.217 ( 0.138 0.000 1.086) 1.095 20.325 ( -1.254 0.000 -0.144) 1.263 20.325 ( -1.254 0.000 0.144) 1.263 23.695 ( -13.691 0.000 -5.301) 14.682 23.695 ( -13.691 0.000 5.301) 14.682 ======================= Grid point 369 (112/144) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 3.417 0.000 -4.519) 5.665 1.552 ( 3.417 0.000 4.519) 5.665 2.289 ( -2.456 0.000 -19.664) 19.817 2.289 ( -2.456 0.000 19.664) 19.817 4.077 ( 3.367 0.000 -4.637) 5.731 4.077 ( 3.367 0.000 4.637) 5.731 4.423 ( 36.951 0.000 -23.186) 43.623 4.423 ( 36.951 0.000 23.186) 43.623 5.347 ( -3.881 0.000 -7.558) 8.496 5.347 ( -3.881 0.000 7.558) 8.496 6.715 ( -0.609 0.000 -0.895) 1.083 6.715 ( -0.609 0.000 0.895) 1.083 7.158 ( -6.439 0.000 -14.500) 15.865 7.158 ( -6.439 0.000 14.500) 15.865 7.379 ( -3.982 0.000 -10.863) 11.570 7.379 ( -3.982 0.000 10.863) 11.570 8.218 ( -2.066 0.000 -2.990) 3.634 8.218 ( -2.066 0.000 2.990) 3.634 8.768 ( -16.500 0.000 -12.591) 20.755 8.768 ( -16.500 0.000 12.591) 20.755 9.226 ( -2.339 0.000 -5.895) 6.342 9.226 ( -2.339 0.000 5.895) 6.342 9.487 ( -4.606 0.000 -1.823) 4.954 9.487 ( -4.606 0.000 1.823) 4.954 12.194 ( 1.434 0.000 -3.686) 3.955 12.194 ( 1.434 0.000 3.686) 3.955 13.576 ( 6.788 0.000 -0.000) 6.788 13.576 ( 6.788 0.000 0.000) 6.788 15.439 ( -4.130 0.000 -6.254) 7.494 15.439 ( -4.130 0.000 6.254) 7.494 16.079 ( -2.085 0.000 -3.854) 4.382 16.079 ( -2.085 0.000 3.854) 4.382 17.089 ( 6.510 0.000 -2.895) 7.125 17.089 ( 6.510 0.000 2.895) 7.125 17.488 ( -2.708 0.000 -1.377) 3.037 17.488 ( -2.708 0.000 1.377) 3.037 18.288 ( 6.881 0.000 -5.621) 8.885 18.288 ( 6.881 0.000 5.621) 8.885 19.624 ( 3.641 0.000 -0.713) 3.710 19.624 ( 3.641 0.000 0.713) 3.710 20.002 ( -2.346 0.000 -3.775) 4.444 20.002 ( -2.346 0.000 3.775) 4.444 20.242 ( 2.006 0.000 -0.418) 2.049 20.242 ( 2.006 0.000 0.418) 2.049 20.305 ( -0.357 0.000 -0.003) 0.357 20.305 ( -0.357 0.000 0.003) 0.357 23.446 ( -11.387 0.000 -5.993) 12.868 23.446 ( -11.387 0.000 5.993) 12.868 ======================= Grid point 371 (113/144) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 5.851 0.000 -1.989) 6.180 1.648 ( 5.851 0.000 1.989) 6.180 2.191 ( -6.251 0.000 -11.183) 12.811 2.191 ( -6.251 0.000 11.183) 12.811 4.109 ( 0.747 0.000 -1.461) 1.641 4.109 ( 0.747 0.000 1.461) 1.641 5.090 ( 27.818 0.000 -17.980) 33.123 5.090 ( 27.818 0.000 17.980) 33.123 5.282 ( -2.096 0.000 -1.216) 2.423 5.282 ( -2.096 0.000 1.216) 2.423 6.712 ( 0.178 0.000 -0.102) 0.205 6.712 ( 0.178 0.000 0.102) 0.205 7.061 ( -3.698 0.000 -16.585) 16.992 7.061 ( -3.698 0.000 16.585) 16.992 7.285 ( -5.353 0.000 -2.683) 5.988 7.285 ( -5.353 0.000 2.683) 5.988 8.150 ( -3.783 0.000 -2.318) 4.437 8.150 ( -3.783 0.000 2.318) 4.437 8.498 ( -10.339 0.000 -10.481) 14.723 8.498 ( -10.339 0.000 10.481) 14.723 9.207 ( -0.088 0.000 -1.465) 1.467 9.207 ( -0.088 0.000 1.465) 1.467 9.413 ( -2.888 0.000 -0.821) 3.002 9.413 ( -2.888 0.000 0.821) 3.002 12.222 ( 1.215 0.000 -0.961) 1.550 12.222 ( 1.215 0.000 0.961) 1.550 13.668 ( 2.961 0.000 -0.035) 2.962 13.668 ( 2.961 0.000 0.035) 2.962 15.382 ( -1.796 0.000 -3.594) 4.018 15.382 ( -1.796 0.000 3.594) 4.018 16.044 ( -1.364 0.000 -1.723) 2.197 16.044 ( -1.364 0.000 1.723) 2.197 17.186 ( 3.650 0.000 -4.220) 5.579 17.186 ( 3.650 0.000 4.220) 5.579 17.429 ( -2.900 0.000 -2.084) 3.571 17.429 ( -2.900 0.000 2.084) 3.571 18.403 ( 4.483 0.000 -2.760) 5.264 18.403 ( 4.483 0.000 2.760) 5.264 19.700 ( 4.023 0.000 -0.114) 4.025 19.700 ( 4.023 0.000 0.114) 4.025 19.935 ( -4.063 0.000 -2.225) 4.633 19.935 ( -4.063 0.000 2.225) 4.633 20.258 ( -0.218 0.000 -0.139) 0.258 20.258 ( -0.218 0.000 0.139) 0.258 20.329 ( 2.132 0.000 -0.016) 2.132 20.329 ( 2.132 0.000 0.016) 2.132 23.272 ( -6.268 0.000 -3.602) 7.229 23.272 ( -6.268 0.000 3.602) 7.229 ======================= Grid point 373 (114/144) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 0.000 0.000 0.000) 0.000 1.723 ( 0.000 0.000 0.000) 0.000 2.112 ( 0.000 0.000 0.000) 0.000 2.112 ( 0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 0.000) 0.000 5.242 ( 0.000 0.000 -0.000) 0.000 5.242 ( 0.000 0.000 -0.000) 0.000 5.404 ( 0.000 0.000 0.000) 0.000 5.404 ( 0.000 0.000 0.000) 0.000 6.715 ( 0.000 0.000 0.000) 0.000 6.715 ( 0.000 0.000 0.000) 0.000 7.021 ( 0.000 0.000 -0.000) 0.000 7.021 ( 0.000 0.000 -0.000) 0.000 7.219 ( 0.000 0.000 0.000) 0.000 7.219 ( 0.000 0.000 0.000) 0.000 8.109 ( 0.000 0.000 0.000) 0.000 8.109 ( 0.000 0.000 0.000) 0.000 8.395 ( 0.000 0.000 0.000) 0.000 8.395 ( 0.000 0.000 0.000) 0.000 9.209 ( 0.000 0.000 0.000) 0.000 9.209 ( 0.000 0.000 0.000) 0.000 9.384 ( 0.000 0.000 0.000) 0.000 9.384 ( 0.000 0.000 0.000) 0.000 12.235 ( 0.000 0.000 0.000) 0.000 12.235 ( 0.000 0.000 0.000) 0.000 13.696 ( 0.000 0.000 0.000) 0.000 13.696 ( 0.000 0.000 0.000) 0.000 15.366 ( 0.000 0.000 0.000) 0.000 15.366 ( 0.000 0.000 0.000) 0.000 16.030 ( 0.000 0.000 0.000) 0.000 16.030 ( 0.000 0.000 0.000) 0.000 17.225 ( 0.000 0.000 0.000) 0.000 17.225 ( 0.000 0.000 0.000) 0.000 17.396 ( 0.000 0.000 0.000) 0.000 17.396 ( 0.000 0.000 0.000) 0.000 18.448 ( 0.000 0.000 0.000) 0.000 18.448 ( 0.000 0.000 0.000) 0.000 19.754 ( 0.000 0.000 0.000) 0.000 19.754 ( 0.000 0.000 0.000) 0.000 19.880 ( 0.000 0.000 0.000) 0.000 19.880 ( 0.000 0.000 0.000) 0.000 20.254 ( 0.000 0.000 0.000) 0.000 20.254 ( 0.000 0.000 0.000) 0.000 20.353 ( 0.000 0.000 0.000) 0.000 20.353 ( 0.000 0.000 0.000) 0.000 23.211 ( 0.000 0.000 0.000) 0.000 23.211 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 385 (115/144) ======================= q-point: ( 0.00 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 0.000 6.393 -7.984) 10.228 1.587 ( 0.000 6.393 7.984) 10.228 1.703 ( 0.000 6.417 -5.314) 8.332 1.703 ( 0.000 6.417 5.314) 8.332 3.260 ( 0.000 -2.528 -41.380) 41.457 3.260 ( 0.000 -2.528 41.380) 41.457 4.107 ( 0.000 14.518 -1.321) 14.578 4.107 ( 0.000 14.518 1.321) 14.578 5.448 ( 0.000 -2.995 -14.490) 14.796 5.448 ( 0.000 -2.995 14.490) 14.796 6.729 ( 0.000 -3.308 -3.202) 4.604 6.729 ( 0.000 -3.308 3.202) 4.604 7.419 ( 0.000 -3.803 -18.018) 18.415 7.419 ( 0.000 -3.803 18.018) 18.415 7.814 ( 0.000 4.942 -0.528) 4.970 7.814 ( 0.000 4.942 0.528) 4.970 7.887 ( 0.000 0.697 -10.501) 10.525 7.887 ( 0.000 0.697 10.501) 10.525 9.236 ( 0.000 -2.851 -12.523) 12.843 9.236 ( 0.000 -2.851 12.523) 12.843 9.471 ( 0.000 -2.017 -5.751) 6.095 9.471 ( 0.000 -2.017 5.751) 6.095 9.871 ( 0.000 -6.530 -9.918) 11.874 9.871 ( 0.000 -6.530 9.918) 11.874 12.281 ( 0.000 1.247 -10.436) 10.510 12.281 ( 0.000 1.247 10.436) 10.510 12.983 ( 0.000 -0.288 -15.071) 15.074 12.983 ( 0.000 -0.288 15.071) 15.074 15.798 ( 0.000 -1.360 -5.606) 5.769 15.798 ( 0.000 -1.360 5.606) 5.769 16.087 ( 0.000 0.781 -3.329) 3.419 16.087 ( 0.000 0.781 3.329) 3.419 16.630 ( 0.000 -1.665 -0.144) 1.671 16.630 ( 0.000 -1.665 0.144) 1.671 17.344 ( 0.000 -9.367 -8.994) 12.986 17.344 ( 0.000 -9.367 8.994) 12.986 18.165 ( 0.000 5.331 -8.389) 9.940 18.165 ( 0.000 5.331 8.389) 9.940 19.501 ( 0.000 -0.668 -0.969) 1.177 19.501 ( 0.000 -0.668 0.969) 1.177 19.596 ( 0.000 -18.780 -3.439) 19.092 19.596 ( 0.000 -18.780 3.439) 19.092 20.262 ( 0.000 0.024 -0.459) 0.460 20.262 ( 0.000 0.024 0.459) 0.460 20.784 ( 0.000 27.590 -5.733) 28.180 20.784 ( 0.000 27.590 5.733) 28.180 23.935 ( 0.000 -10.015 -1.059) 10.071 23.935 ( 0.000 -10.015 1.059) 10.071 ======================= Grid point 387 (116/144) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -4.287 6.573 0.000) 7.847 1.711 ( 3.700 15.247 -0.000) 15.689 1.888 ( 24.127 4.154 0.000) 24.482 1.900 ( 21.666 1.509 -0.000) 21.719 3.309 ( 6.734 -2.111 -0.000) 7.057 3.327 ( 8.062 -4.338 0.000) 9.155 4.086 ( 0.849 12.584 -0.000) 12.612 4.194 ( 5.659 16.075 -0.000) 17.042 5.372 ( -4.668 -5.319 0.000) 7.077 5.491 ( 1.383 -0.931 -0.000) 1.667 6.716 ( -1.607 -3.610 -0.000) 3.952 6.722 ( -0.438 -3.146 0.000) 3.177 7.357 ( -3.680 -6.584 -0.000) 7.543 7.419 ( -3.682 -2.703 -0.000) 4.568 7.601 ( -11.396 4.190 0.000) 12.142 7.636 ( -8.444 4.748 -0.000) 9.688 8.076 ( 10.681 1.458 0.000) 10.780 8.078 ( 8.936 2.142 -0.000) 9.189 9.140 ( -7.220 -3.890 -0.000) 8.201 9.262 ( 0.379 -1.042 0.000) 1.108 9.365 ( -8.583 -4.216 -0.000) 9.562 9.482 ( -2.719 -1.609 0.000) 3.159 9.722 ( -11.160 -5.252 0.000) 12.334 9.787 ( -8.759 -2.855 -0.000) 9.212 12.186 ( -5.039 -0.398 0.000) 5.055 12.282 ( -1.294 4.017 -0.000) 4.220 13.048 ( 9.656 -4.992 0.000) 10.870 13.211 ( 15.180 1.807 -0.000) 15.287 15.682 ( -9.010 -1.359 0.000) 9.112 15.697 ( -7.694 -0.637 -0.000) 7.721 16.103 ( -0.923 -0.587 -0.000) 1.094 16.142 ( 3.853 1.618 0.000) 4.179 16.719 ( 9.502 -2.005 0.000) 9.711 16.739 ( 8.698 -0.861 -0.000) 8.741 17.295 ( -1.113 -11.896 -0.000) 11.948 17.464 ( 8.028 -5.889 0.000) 9.956 18.132 ( -1.615 4.530 0.000) 4.809 18.210 ( 3.136 6.103 -0.000) 6.862 19.512 ( 1.478 -1.055 0.000) 1.816 19.518 ( 0.855 -1.535 -0.000) 1.757 19.563 ( -0.360 -19.960 -0.000) 19.963 19.636 ( 1.692 -18.101 0.000) 18.180 20.246 ( -1.391 -0.705 0.000) 1.559 20.253 ( -1.199 0.552 -0.000) 1.320 20.782 ( -0.032 26.804 0.000) 26.804 20.784 ( -0.012 28.178 -0.000) 28.178 23.823 ( -9.972 -9.619 -0.000) 13.856 23.857 ( -8.416 -8.399 0.000) 11.890 ======================= Grid point 389 (117/144) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -1.605 4.218 0.000) 4.513 1.747 ( 1.389 17.573 -0.000) 17.628 2.282 ( 12.128 7.642 0.001) 14.335 2.284 ( 12.705 3.823 -0.001) 13.267 3.588 ( 22.391 -5.571 -0.000) 23.073 3.656 ( 26.376 -7.811 0.000) 27.508 4.138 ( 5.124 12.778 -0.000) 13.767 4.321 ( 8.000 17.413 0.000) 19.163 5.271 ( -5.612 -7.522 0.000) 9.385 5.503 ( -0.185 1.313 -0.000) 1.326 6.664 ( -3.569 -5.114 -0.000) 6.236 6.720 ( 0.410 -2.447 0.000) 2.481 7.265 ( -10.168 -2.302 -0.000) 10.425 7.289 ( -3.361 -7.966 0.000) 8.646 7.407 ( -8.240 5.075 0.000) 9.677 7.549 ( -2.518 4.976 -0.000) 5.577 8.186 ( 1.859 0.424 0.000) 1.906 8.243 ( 6.182 2.318 -0.000) 6.602 8.952 ( -12.164 -5.376 -0.000) 13.299 9.108 ( -17.064 -2.965 -0.000) 17.320 9.275 ( 0.985 -0.772 0.000) 1.251 9.335 ( -11.233 -2.051 0.000) 11.419 9.536 ( -7.129 -1.990 0.000) 7.401 9.646 ( -4.718 1.697 -0.000) 5.014 12.118 ( -1.957 -1.800 0.000) 2.659 12.283 ( 1.591 5.987 -0.000) 6.195 13.253 ( 10.006 -7.842 -0.000) 12.713 13.487 ( 12.393 2.362 -0.000) 12.616 15.516 ( -7.591 -1.699 0.000) 7.779 15.558 ( -6.171 0.144 -0.000) 6.173 16.046 ( -4.226 -3.198 -0.000) 5.299 16.195 ( 1.504 4.159 0.000) 4.422 16.921 ( 9.087 -1.150 -0.000) 9.160 16.923 ( 10.073 -1.106 0.000) 10.133 17.284 ( -0.379 -12.615 -0.000) 12.620 17.621 ( 6.573 0.493 -0.000) 6.591 18.120 ( 1.377 1.509 0.000) 2.042 18.291 ( 5.241 6.370 -0.000) 8.248 19.521 ( 0.088 -14.007 0.000) 14.007 19.556 ( 2.910 -0.528 -0.000) 2.957 19.599 ( 3.447 -10.324 -0.000) 10.884 19.660 ( 0.890 -19.412 0.000) 19.432 20.207 ( -2.640 -1.525 0.000) 3.049 20.213 ( -2.966 0.754 -0.000) 3.061 20.786 ( 0.551 26.299 0.000) 26.305 20.787 ( 0.452 28.102 -0.000) 28.106 23.590 ( -13.033 -8.094 -0.000) 15.342 23.648 ( -12.075 -5.956 0.000) 13.464 ======================= Grid point 391 (118/144) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 4.412 4.220 0.000) 6.105 1.786 ( 2.861 18.500 -0.000) 18.720 2.341 ( -4.169 8.769 0.000) 9.710 2.383 ( -0.320 5.402 -0.000) 5.411 4.015 ( 15.444 -5.199 -0.000) 16.295 4.067 ( 7.947 -2.641 0.000) 8.374 4.467 ( 32.477 6.216 -0.000) 33.066 4.583 ( 21.815 13.552 0.000) 25.681 5.169 ( -4.088 -8.107 0.000) 9.079 5.486 ( -1.487 4.025 -0.000) 4.290 6.599 ( -2.633 -7.388 -0.000) 7.843 6.739 ( 1.450 -1.007 0.000) 1.765 7.085 ( -7.667 -3.251 -0.000) 8.327 7.200 ( -6.021 -2.835 0.000) 6.656 7.311 ( -1.703 1.231 0.000) 2.101 7.481 ( -5.345 5.036 -0.000) 7.344 8.154 ( -4.771 -2.232 0.000) 5.268 8.303 ( -0.158 4.194 -0.000) 4.197 8.693 ( -13.301 -5.087 0.000) 14.241 8.762 ( -17.211 -1.825 -0.000) 17.307 9.136 ( -8.183 -3.949 -0.000) 9.086 9.291 ( -0.235 -2.598 -0.000) 2.608 9.446 ( -1.923 4.351 0.000) 4.757 9.576 ( -3.030 3.568 -0.000) 4.681 12.103 ( 0.054 -3.203 0.000) 3.204 12.331 ( 2.907 7.637 -0.000) 8.172 13.412 ( 6.247 -8.942 -0.000) 10.908 13.678 ( 7.396 2.961 -0.000) 7.966 15.394 ( -4.998 -2.372 0.000) 5.532 15.467 ( -3.193 0.922 -0.000) 3.323 15.959 ( -4.463 -5.591 -0.000) 7.154 16.208 ( 0.170 6.577 0.000) 6.579 17.069 ( 6.088 -2.327 -0.000) 6.518 17.084 ( 6.528 -0.707 0.000) 6.566 17.272 ( -0.897 -10.307 -0.000) 10.346 17.670 ( -1.272 7.331 -0.000) 7.441 18.210 ( 7.219 -2.109 0.000) 7.521 18.401 ( 5.696 5.577 -0.000) 7.972 19.530 ( 0.772 -18.570 0.000) 18.586 19.604 ( 1.210 -4.695 -0.000) 4.848 19.681 ( 4.883 -7.742 0.000) 9.153 19.691 ( 3.163 -15.651 -0.000) 15.967 20.138 ( -4.769 0.371 0.000) 4.783 20.142 ( -4.066 -2.461 -0.000) 4.753 20.804 ( 1.242 27.272 0.000) 27.300 20.804 ( 1.284 26.174 -0.000) 26.205 23.352 ( -10.887 -6.720 -0.000) 12.794 23.424 ( -10.397 -4.056 0.000) 11.161 ======================= Grid point 393 (119/144) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 9.975 5.871 0.000) 11.574 1.853 ( 3.599 17.828 -0.000) 18.187 2.183 ( -11.009 7.167 0.000) 13.136 2.337 ( -3.231 7.153 -0.000) 7.848 4.138 ( 1.657 3.892 -0.000) 4.229 4.164 ( 2.923 1.740 -0.000) 3.402 4.948 ( 5.972 -12.470 -0.000) 13.826 5.068 ( 22.883 3.091 0.000) 23.091 5.267 ( 20.363 4.161 -0.000) 20.784 5.451 ( -1.799 5.978 -0.000) 6.243 6.572 ( -0.317 -8.954 0.000) 8.960 6.761 ( 0.250 0.371 0.000) 0.447 6.994 ( -1.009 -3.637 -0.000) 3.774 7.094 ( -4.157 0.859 0.000) 4.245 7.298 ( -0.407 1.226 0.000) 1.292 7.324 ( -10.658 3.267 -0.000) 11.147 8.029 ( -6.947 -5.747 0.000) 9.016 8.254 ( -3.623 4.205 0.000) 5.550 8.489 ( -7.091 -1.256 0.000) 7.201 8.490 ( -9.990 -0.271 -0.000) 9.994 9.028 ( -3.252 -7.453 -0.000) 8.132 9.261 ( -2.009 -6.756 -0.000) 7.048 9.450 ( 1.203 11.436 0.000) 11.499 9.527 ( -1.889 4.869 -0.000) 5.223 12.110 ( 0.480 -4.170 0.000) 4.197 12.381 ( 1.993 8.748 0.000) 8.972 13.498 ( 2.824 -9.242 0.000) 9.664 13.779 ( 3.272 3.477 -0.000) 4.774 15.322 ( -2.486 -3.102 0.000) 3.976 15.429 ( -0.917 1.933 -0.000) 2.139 15.885 ( -2.925 -7.633 0.000) 8.174 16.208 ( -0.108 8.162 0.000) 8.163 17.156 ( 2.959 -6.168 -0.000) 6.841 17.179 ( 3.343 -0.668 0.000) 3.409 17.253 ( -0.973 -4.789 -0.000) 4.886 17.618 ( -2.941 8.972 -0.000) 9.442 18.344 ( 5.523 -1.614 0.000) 5.754 18.495 ( 3.606 4.602 -0.000) 5.846 19.545 ( 0.624 -21.033 0.000) 21.042 19.607 ( -0.372 -12.717 0.000) 12.722 19.777 ( 4.988 -6.432 0.000) 8.139 19.786 ( 5.939 -5.513 -0.000) 8.103 20.032 ( -6.112 -0.840 0.000) 6.169 20.054 ( -4.759 -4.222 -0.000) 6.361 20.829 ( 1.191 26.254 0.000) 26.281 20.830 ( 1.187 26.181 -0.000) 26.208 23.186 ( -6.024 -5.894 -0.000) 8.428 23.264 ( -5.817 -2.999 0.000) 6.544 ======================= Grid point 395 (120/144) ======================= q-point: (-0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -0.000 17.072 -0.000) 17.072 1.917 ( -0.000 15.846 -0.000) 15.846 1.974 ( 0.000 -2.921 0.000) 2.921 2.298 ( -0.000 8.240 0.000) 8.240 4.152 ( 0.000 5.084 0.000) 5.084 4.188 ( 0.000 3.223 -0.000) 3.223 4.962 ( -0.000 -14.658 -0.000) 14.658 5.315 ( -0.000 0.158 -0.000) 0.158 5.428 ( -0.000 5.959 -0.000) 5.959 5.540 ( -0.000 5.528 0.000) 5.528 6.571 ( 0.000 -9.643 0.000) 9.643 6.754 ( 0.000 -0.263 0.000) 0.263 7.030 ( -0.000 0.822 -0.000) 0.822 7.054 ( 0.000 3.042 -0.000) 3.042 7.158 ( 0.000 -1.488 0.000) 1.488 7.291 ( 0.000 2.528 0.000) 2.528 7.948 ( 0.000 -8.357 0.000) 8.357 8.213 ( 0.000 3.320 0.000) 3.320 8.393 ( 0.000 0.602 0.000) 0.602 8.421 ( 0.000 1.453 0.000) 1.453 8.998 ( 0.000 -8.855 -0.000) 8.855 9.239 ( 0.000 -7.272 0.000) 7.272 9.464 ( 0.000 12.991 -0.000) 12.991 9.508 ( 0.000 5.387 0.000) 5.387 12.115 ( 0.000 -4.507 0.000) 4.507 12.401 ( 0.000 9.128 0.000) 9.128 13.525 ( 0.000 -9.284 0.000) 9.284 13.810 ( 0.000 3.671 0.000) 3.671 15.298 ( 0.000 -3.421 0.000) 3.421 15.422 ( 0.000 2.528 0.000) 2.528 15.855 ( 0.000 -8.573 0.000) 8.573 16.207 ( 0.000 8.711 0.000) 8.711 17.185 ( 0.000 -11.439 0.000) 11.439 17.212 ( 0.000 -0.733 -0.000) 0.733 17.242 ( 0.000 1.183 0.000) 1.183 17.586 ( -0.000 9.138 -0.000) 9.138 18.400 ( 0.000 -1.009 0.000) 1.009 18.531 ( 0.000 4.213 0.000) 4.213 19.551 ( 0.000 -21.953 0.000) 21.953 19.602 ( 0.000 -14.580 0.000) 14.580 19.844 ( -0.000 -1.788 0.000) 1.788 19.906 ( -0.000 -6.973 0.000) 6.973 19.909 ( 0.000 1.077 0.000) 1.077 19.990 ( 0.000 -7.117 0.000) 7.117 20.842 ( 0.000 25.815 0.000) 25.815 20.843 ( 0.000 26.182 0.000) 26.182 23.127 ( 0.000 -5.625 0.000) 5.625 23.207 ( 0.000 -2.669 0.000) 2.669 ======================= Grid point 407 (121/144) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 0.000 -0.585 -14.330) 14.342 1.616 ( 0.000 -0.585 14.330) 14.342 1.940 ( 0.000 11.035 -22.293) 24.875 1.940 ( 0.000 11.035 22.293) 24.875 3.271 ( 0.000 5.397 -25.478) 26.043 3.271 ( 0.000 5.397 25.478) 26.043 4.468 ( 0.000 19.029 -3.117) 19.283 4.468 ( 0.000 19.029 3.117) 19.283 5.347 ( 0.000 -6.856 -13.143) 14.824 5.347 ( 0.000 -6.856 13.143) 14.824 6.632 ( 0.000 -5.864 -4.107) 7.159 6.632 ( 0.000 -5.864 4.107) 7.159 7.306 ( 0.000 -7.080 -17.102) 18.510 7.306 ( 0.000 -7.080 17.102) 18.510 7.892 ( 0.000 0.863 -9.623) 9.662 7.892 ( 0.000 0.863 9.623) 9.662 7.977 ( 0.000 9.438 -0.666) 9.462 7.977 ( 0.000 9.438 0.666) 9.462 9.151 ( 0.000 -5.277 -10.772) 11.995 9.151 ( 0.000 -5.277 10.772) 11.995 9.395 ( 0.000 -5.302 -4.860) 7.193 9.395 ( 0.000 -5.302 4.860) 7.193 9.730 ( 0.000 -6.200 -4.586) 7.712 9.730 ( 0.000 -6.200 4.586) 7.712 12.324 ( 0.000 2.952 -10.573) 10.978 12.324 ( 0.000 2.952 10.573) 10.978 12.964 ( 0.000 -1.756 -14.122) 14.231 12.964 ( 0.000 -1.756 14.122) 14.231 15.765 ( 0.000 -1.628 -4.668) 4.944 15.765 ( 0.000 -1.628 4.668) 4.944 16.106 ( 0.000 1.011 -3.327) 3.477 16.106 ( 0.000 1.011 3.327) 3.477 16.583 ( 0.000 -2.857 -0.019) 2.857 16.583 ( 0.000 -2.857 0.019) 2.857 17.134 ( 0.000 -9.880 -11.929) 15.489 17.134 ( 0.000 -9.880 11.929) 15.489 18.270 ( 0.000 4.261 -6.184) 7.510 18.270 ( 0.000 4.261 6.184) 7.510 19.305 ( 0.000 -8.837 -1.895) 9.038 19.305 ( 0.000 -8.837 1.895) 9.038 19.492 ( 0.000 -0.721 -0.916) 1.166 19.492 ( 0.000 -0.721 0.916) 1.166 20.257 ( 0.000 -0.429 -0.229) 0.486 20.257 ( 0.000 -0.429 0.229) 0.486 21.311 ( 0.000 22.644 -8.527) 24.196 21.311 ( 0.000 22.644 8.527) 24.196 23.676 ( 0.000 -14.018 -4.128) 14.613 23.676 ( 0.000 -14.018 4.128) 14.613 ======================= Grid point 409 (122/144) ======================= q-point: ( 0.10 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -1.545 1.605 0.000) 2.228 1.918 ( 25.909 1.111 -0.000) 25.933 2.050 ( 22.736 8.681 0.000) 24.337 2.062 ( 6.250 14.865 -0.000) 16.126 3.265 ( 3.285 0.797 -0.000) 3.380 3.337 ( 4.918 6.096 0.000) 7.833 4.416 ( -0.473 17.721 -0.000) 17.727 4.582 ( 6.915 20.395 0.000) 21.536 5.244 ( -6.334 -7.094 0.000) 9.510 5.408 ( 2.273 -7.367 -0.000) 7.710 6.616 ( -1.979 -5.807 -0.000) 6.135 6.632 ( 0.206 -5.290 0.000) 5.294 7.192 ( -6.184 -9.154 0.000) 11.047 7.333 ( -2.765 -5.714 -0.000) 6.348 7.707 ( -9.749 5.363 -0.000) 11.127 7.751 ( -7.756 6.087 0.000) 9.860 8.119 ( 9.826 2.863 -0.000) 10.235 8.159 ( 7.548 6.000 -0.000) 9.643 9.065 ( -7.461 -3.248 -0.000) 8.137 9.135 ( -3.458 -8.989 0.000) 9.632 9.322 ( -4.864 -2.099 -0.000) 5.298 9.386 ( -3.821 -7.327 0.000) 8.263 9.623 ( -6.716 -3.699 0.000) 7.667 9.717 ( -3.000 -3.454 -0.000) 4.575 12.201 ( -6.131 1.901 0.000) 6.419 12.380 ( 1.314 5.456 -0.000) 5.612 12.945 ( 5.303 -5.087 0.000) 7.348 13.214 ( 15.227 -1.525 -0.000) 15.303 15.651 ( -8.966 -1.497 0.000) 9.090 15.679 ( -6.869 -1.001 -0.000) 6.942 16.091 ( -3.404 -0.531 0.000) 3.445 16.182 ( 5.899 2.096 0.000) 6.260 16.663 ( 10.258 -3.261 0.000) 10.764 16.708 ( 8.681 -2.372 0.000) 8.999 17.045 ( -2.630 -11.238 -0.000) 11.542 17.304 ( 11.061 -8.447 0.000) 13.918 18.240 ( -1.444 4.993 0.000) 5.197 18.323 ( 3.622 4.423 -0.000) 5.717 19.229 ( -4.490 -10.548 -0.000) 11.464 19.338 ( 0.625 -9.314 0.000) 9.335 19.506 ( 1.447 -0.918 0.000) 1.713 19.514 ( 1.949 -0.479 -0.000) 2.007 20.231 ( -1.945 -0.715 0.000) 2.072 20.255 ( -0.931 -0.256 -0.000) 0.965 21.300 ( -0.385 22.651 0.000) 22.655 21.317 ( 0.098 22.757 -0.000) 22.757 23.580 ( -8.146 -12.925 -0.000) 15.278 23.627 ( -5.994 -12.957 0.000) 14.276 ======================= Grid point 411 (123/144) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -0.862 4.849 0.000) 4.925 2.169 ( 4.855 20.417 -0.000) 20.986 2.362 ( 14.525 3.890 0.000) 15.037 2.516 ( 17.631 12.883 -0.000) 21.836 3.495 ( 22.022 -5.835 -0.000) 22.782 3.515 ( 15.261 -0.458 0.000) 15.268 4.462 ( 5.698 17.040 -0.000) 17.967 4.729 ( 8.474 21.140 0.000) 22.775 5.111 ( -7.052 -8.115 0.000) 10.751 5.446 ( 2.019 -7.022 -0.000) 7.307 6.544 ( -5.350 -6.066 -0.000) 8.089 6.647 ( 1.533 -4.237 0.000) 4.506 7.098 ( -3.027 -10.073 -0.000) 10.518 7.200 ( -9.679 -4.309 -0.000) 10.595 7.531 ( -8.282 6.350 0.000) 10.436 7.662 ( -2.643 6.093 -0.000) 6.642 8.225 ( -0.916 3.567 0.000) 3.683 8.284 ( 6.880 1.392 -0.000) 7.020 8.862 ( -13.216 -3.058 0.000) 13.565 8.985 ( -12.222 -7.337 -0.000) 14.255 9.237 ( -3.612 -3.962 -0.000) 5.361 9.243 ( -10.026 -6.500 0.000) 11.949 9.543 ( -0.350 2.464 0.000) 2.489 9.663 ( -2.047 -0.019 -0.000) 2.047 12.109 ( -3.299 1.054 -0.000) 3.463 12.423 ( 3.579 7.544 -0.000) 8.350 13.086 ( 7.754 -8.200 -0.000) 11.286 13.492 ( 12.653 -1.921 -0.000) 12.798 15.481 ( -8.057 -1.584 0.000) 8.211 15.553 ( -5.542 -0.517 -0.000) 5.566 15.986 ( -6.634 -2.539 -0.000) 7.103 16.286 ( 4.380 4.554 0.000) 6.319 16.861 ( 5.508 -6.550 -0.000) 8.558 16.886 ( 10.875 -2.497 0.000) 11.158 17.045 ( 3.253 -8.102 -0.000) 8.731 17.553 ( 13.670 -5.955 0.000) 14.911 18.210 ( -1.466 5.889 0.000) 6.069 18.408 ( 4.929 4.555 -0.000) 6.712 19.148 ( -3.591 -14.105 0.000) 14.555 19.337 ( -0.597 -11.454 0.000) 11.470 19.545 ( 2.691 -0.682 0.000) 2.776 19.565 ( 3.247 -0.492 -0.000) 3.285 20.182 ( -3.160 -1.038 0.000) 3.326 20.218 ( -2.974 -0.222 -0.000) 2.983 21.301 ( 0.561 22.947 0.000) 22.954 21.317 ( 0.013 22.772 -0.000) 22.772 23.389 ( -10.839 -10.688 -0.000) 15.223 23.469 ( -9.476 -10.710 0.000) 14.300 ======================= Grid point 413 (124/144) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 6.162 7.588 0.000) 9.775 2.253 ( 3.968 24.692 -0.000) 25.009 2.480 ( 0.588 3.906 -0.000) 3.950 2.635 ( -3.430 18.020 -0.000) 18.343 3.879 ( 17.993 -7.124 -0.000) 19.352 3.970 ( 20.750 -5.605 0.000) 21.494 4.656 ( 12.323 10.790 -0.000) 16.379 4.941 ( 14.419 19.342 -0.000) 24.125 5.020 ( 1.753 -6.314 0.000) 6.553 5.489 ( 2.110 -3.749 -0.000) 4.302 6.432 ( -5.399 -8.217 -0.000) 9.832 6.694 ( 3.158 -2.870 0.000) 4.268 7.013 ( -8.610 -4.062 -0.000) 9.520 7.072 ( -0.001 -7.764 0.000) 7.764 7.396 ( -5.443 5.224 0.000) 7.544 7.596 ( -5.382 6.236 -0.000) 8.238 8.134 ( -8.110 0.496 0.000) 8.125 8.375 ( 2.098 2.114 -0.000) 2.978 8.588 ( -13.505 -4.216 0.000) 14.148 8.713 ( -14.197 -2.567 -0.000) 14.427 9.044 ( -9.653 -5.231 -0.000) 10.979 9.169 ( -3.461 -7.277 0.000) 8.058 9.598 ( 4.759 7.924 0.000) 9.243 9.634 ( -1.178 2.142 0.000) 2.445 12.069 ( -1.088 0.155 -0.000) 1.099 12.507 ( 4.510 9.321 0.000) 10.355 13.216 ( 5.383 -9.906 -0.000) 11.274 13.691 ( 7.973 -1.712 -0.000) 8.155 15.347 ( -5.759 -2.106 0.000) 6.132 15.477 ( -2.267 -0.012 0.000) 2.267 15.853 ( -6.779 -4.403 0.000) 8.083 16.349 ( 2.326 7.013 0.000) 7.388 16.910 ( 0.710 -13.240 -0.000) 13.259 17.057 ( 6.849 -1.952 0.000) 7.121 17.152 ( 6.177 -0.936 -0.000) 6.247 17.764 ( 6.198 1.177 -0.000) 6.309 18.220 ( 3.813 3.211 0.000) 4.985 18.504 ( 4.710 4.041 -0.000) 6.206 19.093 ( -2.152 -18.247 0.000) 18.374 19.318 ( -1.326 -13.313 0.000) 13.379 19.615 ( 4.642 -0.843 0.000) 4.718 19.640 ( 4.612 -0.710 -0.000) 4.666 20.107 ( -4.595 -1.302 0.000) 4.776 20.139 ( -5.110 -0.310 -0.000) 5.119 21.321 ( 0.436 22.568 0.000) 22.573 21.323 ( 1.542 23.498 -0.000) 23.548 23.189 ( -9.328 -8.701 -0.000) 12.756 23.288 ( -8.686 -8.773 0.000) 12.345 ======================= Grid point 415 (125/144) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 11.280 10.078 0.000) 15.126 2.322 ( 3.004 25.829 -0.000) 26.003 2.460 ( -1.740 4.566 -0.000) 4.886 2.472 ( -11.592 18.326 0.000) 21.684 4.110 ( 6.203 -6.795 -0.000) 9.200 4.224 ( 7.287 3.059 -0.000) 7.903 4.709 ( -3.573 -9.335 -0.000) 9.995 5.264 ( 16.409 13.794 -0.000) 21.436 5.342 ( 23.365 2.696 -0.000) 23.520 5.514 ( 0.231 1.183 -0.000) 1.206 6.354 ( -2.642 -11.727 0.000) 12.021 6.740 ( -0.100 -2.041 -0.000) 2.044 6.923 ( 1.799 -3.099 -0.000) 3.583 7.096 ( 2.580 -1.180 0.000) 2.837 7.325 ( -2.140 1.658 0.000) 2.707 7.416 ( -13.318 5.612 -0.000) 14.452 7.934 ( -11.287 -2.989 0.000) 11.676 8.317 ( -6.281 1.818 0.000) 6.539 8.448 ( -1.362 -2.581 -0.000) 2.918 8.491 ( -7.963 0.315 0.000) 7.969 8.895 ( -5.392 -5.719 -0.000) 7.860 9.112 ( -2.231 -7.367 0.000) 7.697 9.616 ( -0.670 3.882 -0.000) 3.939 9.686 ( 3.658 10.655 0.000) 11.265 12.059 ( -0.157 -0.506 -0.000) 0.530 12.581 ( 2.854 10.587 0.000) 10.965 13.293 ( 2.589 -10.636 -0.000) 10.947 13.803 ( 3.695 -1.284 -0.000) 3.911 15.261 ( -3.060 -2.690 0.000) 4.074 15.463 ( 0.576 1.262 0.000) 1.387 15.734 ( -5.181 -6.669 0.000) 8.445 16.380 ( 0.992 8.536 0.000) 8.594 16.915 ( 0.026 -14.701 0.000) 14.701 17.156 ( 3.422 -1.680 0.000) 3.812 17.247 ( 3.329 1.798 -0.000) 3.784 17.793 ( -1.312 7.556 -0.000) 7.669 18.341 ( 6.607 1.251 0.000) 6.725 18.579 ( 2.871 3.287 0.000) 4.365 19.060 ( -1.316 -22.104 -0.000) 22.143 19.292 ( -1.131 -14.126 0.000) 14.171 19.721 ( 6.005 -1.327 0.000) 6.150 19.743 ( 5.927 -1.042 -0.000) 6.018 20.006 ( -5.708 -1.497 0.000) 5.901 20.025 ( -6.520 -0.385 -0.000) 6.531 21.332 ( 0.574 22.266 0.000) 22.273 21.353 ( 1.403 24.048 -0.000) 24.088 23.045 ( -5.253 -7.478 -0.000) 9.139 23.152 ( -5.041 -7.693 0.000) 9.197 ======================= Grid point 417 (126/144) ======================= q-point: (-0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( -0.000 10.122 -0.000) 10.122 2.295 ( -0.000 18.993 -0.000) 18.993 2.356 ( -0.000 25.738 -0.000) 25.738 2.437 ( -0.000 5.259 0.000) 5.259 4.163 ( -0.000 -6.047 -0.000) 6.047 4.294 ( 0.000 7.751 0.000) 7.751 4.662 ( -0.000 -14.063 -0.000) 14.063 5.474 ( -0.000 15.052 -0.000) 15.052 5.483 ( 0.000 -0.517 0.000) 0.517 5.610 ( 0.000 1.101 -0.000) 1.101 6.327 ( 0.000 -13.666 0.000) 13.666 6.717 ( 0.000 -2.979 -0.000) 2.979 7.045 ( -0.000 0.520 -0.000) 0.520 7.139 ( -0.000 4.913 -0.000) 4.913 7.178 ( 0.000 3.579 0.000) 3.579 7.304 ( 0.000 -1.647 0.000) 1.647 7.796 ( 0.000 -5.490 0.000) 5.490 8.254 ( 0.000 1.074 -0.000) 1.074 8.414 ( 0.000 1.334 0.000) 1.334 8.437 ( 0.000 -0.409 -0.000) 0.409 8.842 ( 0.000 -6.379 -0.000) 6.379 9.090 ( 0.000 -7.143 0.000) 7.143 9.609 ( 0.000 4.569 -0.000) 4.569 9.723 ( 0.000 11.523 0.000) 11.523 12.058 ( 0.000 -0.750 -0.000) 0.750 12.609 ( 0.000 11.035 0.000) 11.035 13.317 ( 0.000 -10.826 0.000) 10.826 13.838 ( 0.000 -1.086 0.000) 1.086 15.231 ( 0.000 -2.938 0.000) 2.938 15.476 ( 0.000 2.930 0.000) 2.930 15.677 ( 0.000 -8.703 0.000) 8.703 16.390 ( 0.000 9.034 0.000) 9.034 16.914 ( 0.000 -14.899 0.000) 14.899 17.189 ( 0.000 -1.609 -0.000) 1.609 17.279 ( 0.000 2.595 0.000) 2.595 17.773 ( -0.000 8.820 -0.000) 8.820 18.412 ( 0.000 2.262 0.000) 2.262 18.608 ( 0.000 2.956 0.000) 2.956 19.046 ( 0.000 -24.100 -0.000) 24.100 19.280 ( 0.000 -14.332 0.000) 14.332 19.809 ( -0.000 -1.476 0.000) 1.476 19.839 ( -0.000 -1.822 -0.000) 1.822 19.920 ( 0.000 -1.628 0.000) 1.628 19.922 ( 0.000 0.202 -0.000) 0.202 21.338 ( 0.000 22.123 0.000) 22.123 21.368 ( 0.000 24.281 0.000) 24.281 22.993 ( 0.000 -7.072 0.000) 7.072 23.102 ( 0.000 -7.373 0.000) 7.373 ======================= Grid point 429 (127/144) ======================= q-point: ( 0.00 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 0.000 -0.564 -9.114) 9.131 1.602 ( 0.000 -0.564 9.114) 9.131 2.065 ( 0.000 1.403 -23.990) 24.031 2.065 ( 0.000 1.403 23.990) 24.031 3.516 ( 0.000 17.712 -12.958) 21.946 3.516 ( 0.000 17.712 12.958) 21.946 4.821 ( 0.000 11.997 -3.512) 12.501 4.821 ( 0.000 11.997 3.512) 12.501 5.188 ( 0.000 -6.162 -9.982) 11.731 5.188 ( 0.000 -6.162 9.982) 11.731 6.505 ( 0.000 -5.881 -5.609) 8.127 6.505 ( 0.000 -5.881 5.609) 8.127 7.134 ( 0.000 -9.299 -15.585) 18.149 7.134 ( 0.000 -9.299 15.585) 18.149 7.903 ( 0.000 0.333 -7.080) 7.088 7.903 ( 0.000 0.333 7.080) 7.088 8.202 ( 0.000 11.690 -3.188) 12.116 8.202 ( 0.000 11.690 3.188) 12.116 9.025 ( 0.000 -6.624 -8.194) 10.536 9.025 ( 0.000 -6.624 8.194) 10.536 9.276 ( 0.000 -5.472 -1.856) 5.778 9.276 ( 0.000 -5.472 1.856) 5.778 9.625 ( 0.000 -4.198 -0.237) 4.204 9.625 ( 0.000 -4.198 0.237) 4.204 12.404 ( 0.000 4.839 -10.693) 11.737 12.404 ( 0.000 4.839 10.693) 11.737 12.905 ( 0.000 -3.979 -13.014) 13.609 12.905 ( 0.000 -3.979 13.014) 13.609 15.736 ( 0.000 -1.122 -3.401) 3.581 15.736 ( 0.000 -1.122 3.401) 3.581 16.126 ( 0.000 0.845 -2.797) 2.922 16.126 ( 0.000 0.845 2.797) 2.922 16.520 ( 0.000 -3.009 -0.023) 3.009 16.520 ( 0.000 -3.009 0.023) 3.009 16.960 ( 0.000 -6.798 -9.932) 12.036 16.960 ( 0.000 -6.798 9.932) 12.036 18.329 ( 0.000 1.517 -4.565) 4.811 18.329 ( 0.000 1.517 4.565) 4.811 19.209 ( 0.000 -1.235 -0.009) 1.235 19.209 ( 0.000 -1.235 0.009) 1.235 19.476 ( 0.000 -0.852 -0.496) 0.986 19.476 ( 0.000 -0.852 0.496) 0.986 20.245 ( 0.000 -0.655 -0.086) 0.661 20.245 ( 0.000 -0.655 0.086) 0.661 21.704 ( 0.000 15.484 -7.854) 17.362 21.704 ( 0.000 15.484 7.854) 17.362 23.395 ( 0.000 -12.528 -5.057) 13.510 23.395 ( 0.000 -12.528 5.057) 13.510 ======================= Grid point 431 (128/144) ======================= q-point: ( 0.10 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 4.391 2.957 0.000) 5.294 1.935 ( 28.881 0.801 -0.000) 28.892 2.154 ( 21.539 1.203 0.000) 21.572 2.229 ( 9.925 0.751 -0.000) 9.953 3.447 ( -2.115 16.959 -0.000) 17.091 3.578 ( 2.349 16.550 0.000) 16.716 4.743 ( -1.528 10.766 -0.000) 10.874 4.974 ( 9.172 14.377 0.000) 17.053 5.102 ( -6.255 -4.333 0.000) 7.609 5.202 ( -0.559 -10.199 -0.000) 10.214 6.496 ( -1.148 -5.276 -0.000) 5.399 6.519 ( 1.298 -5.225 0.000) 5.384 6.995 ( -7.470 -9.504 0.000) 12.088 7.182 ( -1.473 -8.866 -0.000) 8.988 7.798 ( -7.084 3.258 -0.000) 7.798 7.860 ( -4.774 3.700 -0.000) 6.040 8.208 ( 4.451 6.126 -0.000) 7.572 8.327 ( 5.039 9.910 -0.000) 11.118 8.945 ( -5.222 -8.962 -0.000) 10.372 9.010 ( -4.747 -2.183 0.000) 5.225 9.216 ( -5.119 -8.214 0.000) 9.678 9.251 ( -3.824 -4.418 0.000) 5.843 9.571 ( -1.999 -1.768 -0.000) 2.669 9.645 ( 0.057 -3.563 -0.000) 3.563 12.266 ( -6.557 4.336 -0.000) 7.861 12.504 ( 3.480 6.450 0.000) 7.329 12.836 ( 2.173 -5.405 0.000) 5.825 13.149 ( 14.193 -4.726 -0.000) 14.959 15.626 ( -8.686 -0.855 0.000) 8.728 15.659 ( -6.491 -0.929 -0.000) 6.557 16.086 ( -4.982 0.245 0.000) 4.988 16.221 ( 7.484 1.428 0.000) 7.619 16.591 ( 10.351 -3.545 -0.000) 10.941 16.626 ( 4.868 -5.659 0.000) 7.465 16.879 ( 0.049 -4.182 -0.000) 4.183 17.142 ( 11.622 -7.112 0.000) 13.626 18.317 ( 0.079 2.402 0.000) 2.403 18.383 ( 3.845 1.376 -0.000) 4.084 19.112 ( -6.621 -1.493 0.000) 6.787 19.223 ( -1.284 -2.524 0.000) 2.832 19.488 ( 1.582 -0.821 0.000) 1.782 19.503 ( 2.116 -0.627 -0.000) 2.207 20.217 ( -2.114 -0.596 0.000) 2.197 20.244 ( -0.959 -0.791 -0.000) 1.243 21.700 ( 0.167 16.017 0.000) 16.018 21.711 ( 0.341 15.548 -0.000) 15.552 23.323 ( -6.218 -11.466 -0.000) 13.044 23.359 ( -4.549 -12.325 0.000) 13.137 ======================= Grid point 433 (129/144) ======================= q-point: ( 0.20 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 3.108 7.786 0.000) 8.384 2.368 ( 9.914 0.627 -0.000) 9.934 2.534 ( 20.765 8.548 0.000) 22.455 2.709 ( 27.442 4.364 -0.000) 27.787 3.519 ( 12.520 10.339 -0.000) 16.237 3.622 ( 3.379 11.404 0.000) 11.895 4.777 ( 5.630 8.943 -0.000) 10.567 4.954 ( -8.735 -3.189 0.000) 9.299 5.130 ( 3.997 12.895 -0.000) 13.501 5.228 ( 7.031 -10.272 -0.000) 12.448 6.435 ( -5.570 -3.819 -0.000) 6.754 6.560 ( 3.028 -3.884 0.000) 4.925 6.890 ( -2.433 -9.654 0.000) 9.956 7.080 ( -8.214 -7.330 -0.000) 11.009 7.651 ( -7.793 5.055 0.000) 9.290 7.789 ( -2.503 5.547 -0.000) 6.085 8.302 ( 4.411 0.935 0.000) 4.509 8.337 ( -4.285 7.191 -0.000) 8.371 8.832 ( -6.952 -7.413 0.000) 10.163 8.835 ( -12.827 0.379 -0.000) 12.832 9.086 ( -8.088 -8.384 -0.000) 11.649 9.132 ( -7.405 -5.620 0.000) 9.296 9.598 ( 4.995 2.130 0.000) 5.430 9.649 ( 0.727 -1.118 -0.000) 1.333 12.166 ( -3.716 4.471 -0.000) 5.813 12.583 ( 5.320 7.218 0.000) 8.966 12.925 ( 5.361 -6.902 -0.000) 8.740 13.411 ( 12.214 -5.807 -0.000) 13.524 15.456 ( -8.301 -0.724 0.000) 8.333 15.537 ( -5.476 -1.076 0.000) 5.581 15.953 ( -7.925 -0.309 -0.000) 7.931 16.367 ( 6.989 2.369 0.000) 7.379 16.648 ( -1.381 -10.600 -0.000) 10.690 16.821 ( 11.392 -3.699 0.000) 11.977 16.988 ( 9.430 0.605 -0.000) 9.449 17.411 ( 15.838 -7.317 0.000) 17.446 18.320 ( -0.049 4.280 0.000) 4.280 18.469 ( 4.813 1.362 -0.000) 5.002 18.972 ( -7.439 -3.314 0.000) 8.144 19.176 ( -3.247 -4.858 0.000) 5.843 19.531 ( 2.871 -0.587 0.000) 2.931 19.554 ( 3.159 -0.580 -0.000) 3.212 20.164 ( -3.378 -0.654 0.000) 3.441 20.206 ( -3.053 -0.922 -0.000) 3.189 21.715 ( 1.478 17.018 0.000) 17.082 21.718 ( 0.413 16.179 -0.000) 16.184 23.173 ( -8.669 -9.792 -0.000) 13.078 23.235 ( -7.687 -11.367 0.000) 13.722 ======================= Grid point 435 (130/144) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 10.091 11.925 0.000) 15.622 2.498 ( 3.947 0.305 -0.000) 3.959 2.763 ( 5.466 20.255 -0.000) 20.979 2.997 ( 0.913 14.733 0.000) 14.761 3.771 ( 11.257 -1.608 -0.000) 11.371 3.901 ( 21.662 0.742 0.000) 21.675 4.774 ( -9.566 -4.305 0.000) 10.490 4.992 ( 17.029 7.594 -0.000) 18.645 5.204 ( 6.110 -3.319 -0.000) 6.953 5.435 ( 12.281 6.164 -0.000) 13.741 6.293 ( -8.291 -3.910 -0.000) 9.167 6.638 ( 4.909 -2.220 0.000) 5.388 6.906 ( 3.724 -8.013 0.000) 8.836 6.909 ( -8.190 -6.089 -0.000) 10.205 7.506 ( -6.974 5.370 0.000) 8.802 7.729 ( -5.040 6.027 -0.000) 7.857 8.179 ( -11.519 3.921 0.000) 12.168 8.365 ( 2.008 -2.209 -0.000) 2.985 8.555 ( -14.535 0.558 0.000) 14.546 8.661 ( -9.927 -2.575 -0.000) 10.256 8.922 ( -8.328 -6.383 -0.000) 10.493 9.015 ( -4.204 -7.451 0.000) 8.555 9.672 ( 1.389 1.804 -0.000) 2.277 9.732 ( 7.738 4.665 0.000) 9.036 12.118 ( -1.450 4.715 -0.000) 4.933 12.702 ( 6.414 8.660 0.000) 10.777 13.014 ( 3.646 -8.791 -0.000) 9.517 13.609 ( 8.165 -6.178 -0.000) 10.239 15.314 ( -6.269 -0.937 -0.000) 6.338 15.461 ( -2.169 -1.676 0.000) 2.741 15.797 ( -7.978 -0.496 0.000) 7.994 16.480 ( 4.574 2.984 0.000) 5.461 16.617 ( -1.441 -11.481 -0.000) 11.571 17.001 ( 7.212 -3.493 -0.000) 8.013 17.174 ( 8.837 2.595 0.000) 9.211 17.714 ( 13.918 -5.611 0.000) 15.007 18.318 ( 0.601 5.379 0.000) 5.412 18.557 ( 4.072 1.049 -0.000) 4.205 18.836 ( -6.460 -6.295 0.000) 9.020 19.110 ( -3.267 -7.252 0.000) 7.954 19.601 ( 4.397 -0.545 0.000) 4.431 19.626 ( 4.375 -0.707 -0.000) 4.432 20.085 ( -4.780 -0.793 0.000) 4.845 20.126 ( -5.170 -0.980 -0.000) 5.262 21.729 ( 0.768 17.110 0.000) 17.128 21.756 ( 2.599 18.310 -0.000) 18.494 23.009 ( -7.815 -8.443 -0.000) 11.505 23.082 ( -7.577 -10.641 0.000) 13.063 ======================= Grid point 437 (131/144) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 14.825 15.845 0.000) 21.698 2.529 ( 0.020 2.461 -0.000) 2.461 2.844 ( 3.360 23.028 -0.000) 23.272 2.850 ( -12.983 16.810 0.000) 21.240 3.947 ( 5.638 -7.142 -0.000) 9.099 4.227 ( 12.103 -2.237 -0.000) 12.308 4.592 ( -9.002 -2.456 -0.000) 9.331 5.344 ( 6.465 -6.939 0.000) 9.484 5.382 ( 19.571 1.624 -0.000) 19.639 5.685 ( 12.968 12.051 0.000) 17.703 6.138 ( -7.495 -6.189 -0.000) 9.720 6.686 ( -2.480 -3.098 -0.000) 3.968 6.867 ( 7.308 -2.349 0.000) 7.676 7.030 ( 9.089 -4.972 -0.000) 10.360 7.383 ( -6.123 4.071 0.000) 7.353 7.542 ( -14.731 5.830 0.000) 15.842 7.918 ( -13.988 1.462 0.000) 14.064 8.336 ( -6.308 0.764 -0.000) 6.354 8.388 ( -0.055 -3.463 -0.000) 3.463 8.500 ( -5.885 0.508 -0.000) 5.907 8.785 ( -5.324 -4.941 -0.000) 7.263 8.960 ( -1.727 -7.365 0.000) 7.565 9.696 ( 0.923 4.088 -0.000) 4.191 9.862 ( 5.033 5.902 0.000) 7.757 12.102 ( -0.374 4.911 -0.000) 4.925 12.809 ( 4.203 10.943 0.000) 11.723 13.064 ( 1.551 -11.080 -0.000) 11.188 13.726 ( 3.976 -6.107 -0.000) 7.287 15.219 ( -3.439 -1.210 -0.000) 3.646 15.456 ( 1.607 -2.990 0.000) 3.394 15.651 ( -6.897 0.134 0.000) 6.899 16.544 ( 2.090 1.107 0.000) 2.365 16.598 ( -0.585 -9.381 -0.000) 9.399 17.105 ( 3.580 -3.333 -0.000) 4.891 17.308 ( 4.755 4.210 0.000) 6.351 17.893 ( 4.249 0.812 -0.000) 4.326 18.382 ( 6.297 2.243 0.000) 6.685 18.620 ( 2.285 0.518 0.000) 2.343 18.715 ( -6.265 -9.490 -0.000) 11.372 19.058 ( -1.991 -8.853 0.000) 9.074 19.700 ( 5.674 -0.738 0.000) 5.722 19.723 ( 5.552 -0.927 -0.000) 5.629 19.981 ( -5.803 -0.917 0.000) 5.875 20.011 ( -6.375 -0.911 -0.000) 6.440 21.745 ( 0.747 17.943 0.000) 17.958 21.806 ( 2.180 19.588 0.000) 19.709 22.887 ( -4.537 -7.758 -0.000) 8.987 22.960 ( -4.681 -10.559 0.000) 11.550 ======================= Grid point 439 (132/144) ======================= q-point: (-0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 0.000 20.789 -0.000) 20.789 2.525 ( -0.000 3.773 -0.000) 3.773 2.637 ( -0.000 12.893 0.000) 12.893 2.880 ( -0.000 23.248 0.000) 23.248 3.997 ( -0.000 -7.931 -0.000) 7.931 4.394 ( 0.000 -11.764 -0.000) 11.764 4.447 ( -0.000 6.989 0.000) 6.989 5.409 ( -0.000 -6.851 0.000) 6.851 5.597 ( 0.000 -1.740 -0.000) 1.740 5.858 ( -0.000 19.924 -0.000) 19.924 6.031 ( 0.000 -14.342 0.000) 14.342 6.644 ( 0.000 -3.899 -0.000) 3.899 7.050 ( -0.000 -0.043 -0.000) 0.043 7.223 ( -0.000 -5.523 0.000) 5.523 7.242 ( 0.000 4.765 -0.000) 4.765 7.284 ( 0.000 5.727 0.000) 5.727 7.750 ( 0.000 1.221 0.000) 1.221 8.283 ( -0.000 2.428 -0.000) 2.428 8.386 ( 0.000 -4.770 -0.000) 4.770 8.443 ( 0.000 1.402 0.000) 1.402 8.731 ( 0.000 -4.517 -0.000) 4.517 8.944 ( 0.000 -7.085 0.000) 7.085 9.705 ( 0.000 4.931 -0.000) 4.931 9.912 ( 0.000 6.278 0.000) 6.278 12.099 ( 0.000 4.982 -0.000) 4.982 12.852 ( 0.000 12.339 0.000) 12.339 13.078 ( 0.000 -12.420 0.000) 12.420 13.764 ( 0.000 -6.022 0.000) 6.022 15.185 ( 0.000 -1.325 0.000) 1.325 15.501 ( -0.000 -8.184 0.000) 8.184 15.555 ( 0.000 5.051 0.000) 5.051 16.563 ( -0.000 -3.716 0.000) 3.716 16.593 ( 0.000 -4.437 -0.000) 4.437 17.140 ( 0.000 -3.293 -0.000) 3.293 17.355 ( 0.000 4.861 0.000) 4.861 17.922 ( -0.000 4.357 -0.000) 4.357 18.490 ( 0.000 5.066 0.000) 5.066 18.620 ( -0.000 -15.764 0.000) 15.764 18.643 ( 0.000 0.249 -0.000) 0.249 19.038 ( 0.000 -9.371 0.000) 9.371 19.785 ( -0.000 -0.895 0.000) 0.895 19.808 ( 0.000 -1.278 -0.000) 1.278 19.895 ( 0.000 -0.934 0.000) 0.934 19.918 ( -0.000 -0.616 -0.000) 0.616 21.753 ( -0.000 18.284 0.000) 18.284 21.829 ( 0.000 20.183 0.000) 20.183 22.842 ( 0.000 -7.581 0.000) 7.581 22.913 ( 0.000 -10.687 0.000) 10.687 ======================= Grid point 451 (133/144) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 0.000 -0.057 -4.410) 4.411 1.596 ( 0.000 -0.057 4.410) 4.411 2.049 ( 0.000 -1.678 -14.742) 14.837 2.049 ( 0.000 -1.678 14.742) 14.837 3.939 ( 0.000 21.937 -9.186) 23.783 3.939 ( 0.000 21.937 9.186) 23.783 4.754 ( 0.000 -14.559 -7.573) 16.411 4.754 ( 0.000 -14.559 7.573) 16.411 5.271 ( 0.000 9.462 -1.643) 9.603 5.271 ( 0.000 9.462 1.643) 9.603 6.410 ( 0.000 -2.945 -5.797) 6.502 6.410 ( 0.000 -2.945 5.797) 6.502 6.944 ( 0.000 -8.218 -11.406) 14.058 6.944 ( 0.000 -8.218 11.406) 14.058 7.907 ( 0.000 0.073 -3.710) 3.711 7.907 ( 0.000 0.073 3.710) 3.711 8.430 ( 0.000 9.726 -2.968) 10.169 8.430 ( 0.000 9.726 2.968) 10.169 8.893 ( 0.000 -5.881 -4.384) 7.335 8.893 ( 0.000 -5.881 4.384) 7.335 9.188 ( 0.000 -2.916 -0.032) 2.916 9.188 ( 0.000 -2.916 0.032) 2.916 9.551 ( 0.000 -2.919 -2.025) 3.553 9.551 ( 0.000 -2.919 2.025) 3.553 12.520 ( 0.000 6.245 -10.740) 12.424 12.520 ( 0.000 6.245 10.740) 12.424 12.802 ( 0.000 -5.851 -11.884) 13.246 12.802 ( 0.000 -5.851 11.884) 13.246 15.720 ( 0.000 -0.492 -1.830) 1.895 15.720 ( 0.000 -0.492 1.830) 1.895 16.140 ( 0.000 0.469 -1.600) 1.668 16.140 ( 0.000 0.469 1.600) 1.668 16.467 ( 0.000 -1.898 -0.042) 1.898 16.467 ( 0.000 -1.898 0.042) 1.898 16.857 ( 0.000 -3.306 -5.264) 6.216 16.857 ( 0.000 -3.306 5.264) 6.216 18.343 ( 0.000 0.124 -2.400) 2.404 18.343 ( 0.000 0.124 2.400) 2.404 19.218 ( 0.000 1.258 -0.197) 1.273 19.218 ( 0.000 1.258 0.197) 1.273 19.459 ( 0.000 -0.720 -0.123) 0.731 19.459 ( 0.000 -0.720 0.123) 0.731 20.232 ( 0.000 -0.538 -0.026) 0.539 20.232 ( 0.000 -0.538 0.026) 0.539 21.949 ( 0.000 8.237 -4.817) 9.542 21.949 ( 0.000 8.237 4.817) 9.542 23.183 ( 0.000 -7.585 -3.524) 8.364 23.183 ( 0.000 -7.585 3.524) 8.364 ======================= Grid point 453 (134/144) ======================= q-point: ( 0.10 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 11.863 5.119 0.000) 12.921 1.951 ( 31.765 0.461 0.000) 31.768 2.133 ( 19.635 -2.273 0.000) 19.766 2.163 ( 7.372 -4.953 -0.000) 8.881 3.887 ( -2.359 23.726 -0.000) 23.843 3.966 ( 0.118 19.843 0.000) 19.843 4.690 ( -2.908 -12.389 0.000) 12.725 4.813 ( 2.295 -18.720 -0.000) 18.860 5.209 ( -3.785 10.530 -0.000) 11.189 5.314 ( 2.567 8.864 0.000) 9.228 6.420 ( 0.885 -1.814 -0.000) 2.018 6.435 ( 2.316 -2.636 0.000) 3.509 6.828 ( -6.759 -5.643 0.000) 8.805 6.980 ( -1.152 -10.116 -0.000) 10.181 7.848 ( -4.610 1.810 -0.000) 4.952 7.895 ( -2.023 0.035 -0.000) 2.023 8.365 ( -1.370 8.505 0.000) 8.615 8.530 ( 3.571 8.044 -0.000) 8.801 8.784 ( -6.196 -5.645 0.000) 8.382 8.951 ( 0.759 -4.761 0.000) 4.821 9.091 ( -8.486 -2.719 -0.000) 8.911 9.161 ( -4.491 -3.960 0.000) 5.988 9.540 ( 1.071 -1.194 -0.000) 1.604 9.574 ( 1.541 -3.061 0.000) 3.427 12.377 ( -6.166 6.299 -0.000) 8.814 12.609 ( -0.278 0.723 0.000) 0.775 12.754 ( 5.744 0.374 0.000) 5.757 13.025 ( 12.626 -7.065 -0.000) 14.468 15.617 ( -8.206 0.019 0.000) 8.206 15.641 ( -6.755 -0.858 -0.000) 6.810 16.109 ( -4.396 2.065 0.000) 4.857 16.225 ( 5.873 -1.382 0.000) 6.034 16.515 ( 1.566 -3.848 0.000) 4.154 16.525 ( 9.024 -2.742 -0.000) 9.432 16.858 ( 5.476 1.330 0.000) 5.635 17.012 ( 10.673 -5.533 0.000) 12.022 18.349 ( 1.446 1.096 0.000) 1.814 18.388 ( 3.551 -0.541 -0.000) 3.592 19.129 ( -6.717 2.260 0.000) 7.087 19.199 ( -3.464 -0.600 -0.000) 3.516 19.475 ( 1.925 -0.331 0.000) 1.953 19.489 ( 2.269 -0.696 -0.000) 2.373 20.208 ( -1.960 -0.197 0.000) 1.970 20.225 ( -1.215 -0.903 0.000) 1.514 21.957 ( 1.036 8.706 -0.000) 8.767 21.959 ( 0.877 8.411 0.000) 8.457 23.128 ( -5.003 -6.946 -0.000) 8.560 23.145 ( -4.273 -7.865 0.000) 8.951 ======================= Grid point 455 (135/144) ======================= q-point: ( 0.20 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 7.194 9.806 0.000) 12.162 2.315 ( 8.105 -5.586 -0.000) 9.843 2.616 ( 31.866 1.803 0.000) 31.917 2.717 ( 31.813 -2.198 -0.000) 31.889 3.887 ( 3.684 22.447 -0.000) 22.747 3.940 ( -2.795 17.614 0.000) 17.835 4.641 ( -2.250 -12.948 0.000) 13.142 4.848 ( 2.162 -19.918 -0.000) 20.035 5.148 ( -1.390 12.599 0.000) 12.675 5.393 ( 5.871 5.103 0.000) 7.779 6.419 ( -2.002 2.584 -0.000) 3.268 6.501 ( 4.566 -1.638 0.000) 4.851 6.724 ( -2.607 -5.680 0.000) 6.249 6.902 ( -6.520 -9.708 -0.000) 11.694 7.741 ( -6.179 3.784 -0.000) 7.246 7.852 ( -2.151 0.089 -0.000) 2.153 8.360 ( 0.278 5.244 0.000) 5.252 8.508 ( -6.885 8.695 0.000) 11.091 8.679 ( -4.021 -7.242 0.000) 8.283 8.860 ( -14.413 -0.033 -0.000) 14.413 8.916 ( -4.714 -6.246 0.000) 7.825 9.023 ( -8.820 -4.682 0.000) 9.986 9.622 ( 7.182 0.258 -0.000) 7.187 9.627 ( 3.980 -0.848 0.000) 4.070 12.291 ( -2.767 7.499 -0.000) 7.994 12.625 ( 2.799 -5.181 0.000) 5.889 12.893 ( 7.045 5.822 0.000) 9.139 13.260 ( 11.144 -8.570 0.000) 14.058 15.453 ( -8.161 0.488 0.000) 8.176 15.508 ( -6.315 -1.652 0.000) 6.527 15.986 ( -7.311 3.700 0.000) 8.194 16.291 ( 0.294 -9.083 0.000) 9.087 16.567 ( 4.527 2.396 0.000) 5.122 16.737 ( 10.931 -4.353 -0.000) 11.766 17.033 ( 11.358 3.567 0.000) 11.905 17.262 ( 14.910 -6.968 0.000) 16.458 18.386 ( 2.019 2.532 0.000) 3.238 18.469 ( 4.457 -1.117 -0.000) 4.595 18.976 ( -8.628 2.692 0.000) 9.039 19.105 ( -5.761 -2.697 -0.000) 6.361 19.524 ( 3.047 -0.080 0.000) 3.048 19.541 ( 3.113 -0.658 -0.000) 3.182 20.156 ( -3.409 -0.037 0.000) 3.409 20.183 ( -3.179 -1.131 -0.000) 3.374 21.984 ( 1.739 9.480 -0.000) 9.639 21.993 ( 2.793 9.591 0.000) 9.989 23.002 ( -7.625 -6.372 -0.000) 9.937 23.028 ( -7.380 -8.003 0.000) 10.887 ======================= Grid point 457 (136/144) ======================= q-point: ( 0.30 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 13.026 11.736 0.000) 17.533 2.464 ( 6.958 -3.391 -0.000) 7.740 3.053 ( 12.949 7.689 -0.000) 15.060 3.161 ( 10.722 1.510 0.000) 10.828 3.882 ( -1.769 11.855 -0.000) 11.987 4.045 ( 10.467 11.983 0.000) 15.911 4.600 ( -1.673 -9.490 0.000) 9.636 4.941 ( 7.983 -16.982 -0.000) 18.765 5.204 ( 8.155 10.857 -0.000) 13.579 5.538 ( 8.713 -1.259 0.000) 8.804 6.334 ( -5.624 8.041 -0.000) 9.813 6.613 ( 6.839 0.009 0.000) 6.839 6.755 ( 5.402 -6.360 0.000) 8.345 6.759 ( -6.940 -8.519 -0.000) 10.988 7.618 ( -6.435 5.477 -0.000) 8.450 7.797 ( -4.576 -0.347 0.000) 4.589 8.290 ( -14.630 6.479 0.000) 16.001 8.359 ( -0.796 2.698 -0.000) 2.812 8.554 ( -15.282 -1.805 0.000) 15.388 8.598 ( -4.955 -3.888 -0.000) 6.298 8.806 ( -6.135 -3.789 0.000) 7.210 8.874 ( -5.547 -5.872 0.000) 8.078 9.714 ( 4.536 2.312 -0.000) 5.091 9.783 ( 8.528 0.419 0.000) 8.538 12.262 ( -0.506 9.066 -0.000) 9.080 12.702 ( 4.526 -9.335 0.000) 10.374 13.011 ( 5.013 9.102 0.000) 10.391 13.445 ( 7.819 -9.470 -0.000) 12.281 15.312 ( -6.287 0.818 -0.000) 6.340 15.408 ( -3.887 -3.139 0.000) 4.997 15.847 ( -6.682 5.401 0.000) 8.591 16.268 ( -1.798 -13.903 0.000) 14.018 16.664 ( 4.690 6.662 0.000) 8.147 16.913 ( 7.160 -5.002 -0.000) 8.734 17.256 ( 10.772 5.288 0.000) 12.000 17.561 ( 14.924 -8.479 0.000) 17.164 18.417 ( 1.067 4.138 0.000) 4.273 18.548 ( 3.487 -1.771 -0.000) 3.911 18.812 ( -7.950 2.713 0.000) 8.400 18.993 ( -5.442 -4.733 0.000) 7.212 19.594 ( 4.317 -0.060 0.000) 4.318 19.611 ( 4.241 -0.708 0.000) 4.299 20.076 ( -4.927 -0.089 0.000) 4.928 20.102 ( -5.138 -1.159 -0.000) 5.267 22.026 ( 2.546 11.484 -0.000) 11.763 22.064 ( 4.373 11.004 0.000) 11.841 22.851 ( -7.574 -6.553 -0.000) 10.015 22.875 ( -8.047 -8.677 0.000) 11.834 ======================= Grid point 459 (137/144) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 17.475 11.716 0.000) 21.039 2.572 ( 3.936 1.774 -0.000) 4.317 3.119 ( -12.002 9.023 -0.000) 15.016 3.195 ( 3.764 9.602 0.000) 10.313 3.892 ( 1.654 2.960 -0.000) 3.391 4.170 ( 1.884 -3.681 -0.000) 4.135 4.594 ( 0.826 3.895 -0.000) 3.982 5.113 ( 7.846 -14.397 0.000) 16.397 5.433 ( 12.607 3.808 -0.000) 13.170 5.702 ( 7.051 -7.306 0.000) 10.153 6.246 ( -2.774 12.476 -0.000) 12.781 6.610 ( -4.722 -4.620 -0.000) 6.606 6.830 ( 12.616 -0.943 0.000) 12.651 6.919 ( 11.396 -5.076 -0.000) 12.475 7.483 ( -8.213 5.267 -0.000) 9.756 7.619 ( -14.425 0.976 0.000) 14.458 7.991 ( -14.134 5.491 0.000) 15.163 8.287 ( -5.420 -6.468 -0.000) 8.438 8.385 ( -2.062 4.224 -0.000) 4.700 8.507 ( -3.679 0.018 -0.000) 3.679 8.701 ( -4.270 -2.776 0.000) 5.093 8.809 ( -1.698 -7.137 0.000) 7.337 9.787 ( 2.724 4.667 -0.000) 5.404 9.921 ( 5.214 0.009 0.000) 5.214 12.261 ( 0.185 10.277 -0.000) 10.278 12.778 ( 2.927 -12.569 0.000) 12.905 13.086 ( 2.667 11.745 0.000) 12.044 13.559 ( 3.971 -9.798 0.000) 10.572 15.216 ( -3.462 1.080 -0.000) 3.627 15.359 ( -1.388 -5.283 0.000) 5.462 15.739 ( -4.245 7.511 0.000) 8.627 16.238 ( -1.144 -15.805 0.000) 15.847 16.735 ( 2.542 8.048 0.000) 8.440 17.016 ( 3.551 -5.252 -0.000) 6.340 17.424 ( 6.137 7.017 0.000) 9.322 17.798 ( 8.712 -8.887 0.000) 12.445 18.437 ( 1.444 3.700 0.000) 3.972 18.599 ( 1.741 -2.465 0.000) 3.018 18.678 ( -5.762 3.631 -0.000) 6.810 18.908 ( -3.155 -6.228 0.000) 6.982 19.691 ( 5.488 -0.181 0.000) 5.491 19.705 ( 5.363 -0.778 0.000) 5.419 19.969 ( -5.917 -0.232 0.000) 5.921 19.990 ( -6.206 -1.044 -0.000) 6.293 22.075 ( 2.232 14.046 0.000) 14.222 22.150 ( 4.094 13.431 0.000) 14.041 22.726 ( -4.911 -7.763 -0.000) 9.186 22.735 ( -5.918 -10.648 0.000) 12.182 ======================= Grid point 461 (138/144) ======================= q-point: (-0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( -0.000 4.767 -0.000) 4.767 2.782 ( 0.000 0.973 0.000) 0.973 2.831 ( -0.000 21.829 -0.000) 21.829 3.231 ( 0.000 8.683 0.000) 8.683 3.911 ( -0.000 0.469 -0.000) 0.469 4.175 ( 0.000 -9.587 -0.000) 9.587 4.606 ( -0.000 9.682 0.000) 9.682 5.194 ( 0.000 -13.888 0.000) 13.888 5.573 ( 0.000 0.177 -0.000) 0.177 5.772 ( -0.000 -10.063 0.000) 10.063 6.225 ( 0.000 14.624 0.000) 14.624 6.560 ( 0.000 -4.326 0.000) 4.326 7.046 ( 0.000 -0.130 -0.000) 0.130 7.113 ( -0.000 -4.433 0.000) 4.433 7.328 ( 0.000 3.499 -0.000) 3.499 7.374 ( -0.000 2.385 0.000) 2.385 7.840 ( 0.000 7.182 0.000) 7.182 8.240 ( -0.000 -9.216 0.000) 9.216 8.369 ( 0.000 5.740 0.000) 5.740 8.470 ( 0.000 1.138 0.000) 1.138 8.657 ( 0.000 -2.420 0.000) 2.420 8.794 ( 0.000 -7.415 0.000) 7.415 9.814 ( 0.000 5.509 -0.000) 5.509 9.973 ( 0.000 -0.216 0.000) 0.216 12.264 ( 0.000 10.720 0.000) 10.720 12.807 ( 0.000 -13.767 0.000) 13.767 13.112 ( 0.000 12.757 0.000) 12.757 13.598 ( 0.000 -9.856 0.000) 9.856 15.182 ( 0.000 1.191 0.000) 1.191 15.347 ( -0.000 -6.579 0.000) 6.579 15.695 ( 0.000 8.756 0.000) 8.756 16.226 ( 0.000 -16.386 0.000) 16.386 16.760 ( 0.000 8.427 0.000) 8.427 17.051 ( 0.000 -5.341 -0.000) 5.341 17.484 ( 0.000 7.745 0.000) 7.745 17.882 ( 0.000 -8.232 0.000) 8.232 18.463 ( 0.000 0.347 0.000) 0.347 18.611 ( -0.000 6.385 0.000) 6.385 18.616 ( 0.000 -2.800 -0.000) 2.800 18.877 ( 0.000 -6.749 0.000) 6.749 19.773 ( -0.000 -0.262 0.000) 0.262 19.786 ( 0.000 -0.848 0.000) 0.848 19.882 ( 0.000 -0.302 0.000) 0.302 19.901 ( -0.000 -0.931 -0.000) 0.931 22.099 ( -0.000 15.503 0.000) 15.503 22.196 ( 0.000 15.495 0.000) 15.495 22.672 ( 0.000 -12.565 0.000) 12.565 22.676 ( 0.000 -8.729 0.000) 8.729 ======================= Grid point 473 (139/144) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 0.000 0.000 0.000) 0.000 1.596 ( 0.000 0.000 0.000) 0.000 2.029 ( 0.000 0.000 0.000) 0.000 2.029 ( 0.000 0.000 0.000) 0.000 4.356 ( 0.000 -0.000 0.000) 0.000 4.356 ( 0.000 0.000 0.000) 0.000 4.409 ( 0.000 -0.000 -0.000) 0.000 4.409 ( 0.000 0.000 -0.000) 0.000 5.383 ( 0.000 0.000 0.000) 0.000 5.383 ( 0.000 0.000 0.000) 0.000 6.383 ( 0.000 0.000 0.000) 0.000 6.383 ( 0.000 0.000 0.000) 0.000 6.847 ( 0.000 0.000 -0.000) 0.000 6.847 ( 0.000 0.000 0.000) 0.000 7.907 ( 0.000 0.000 0.000) 0.000 7.907 ( 0.000 0.000 0.000) 0.000 8.551 ( 0.000 0.000 0.000) 0.000 8.551 ( 0.000 0.000 0.000) 0.000 8.816 ( 0.000 0.000 0.000) 0.000 8.816 ( 0.000 0.000 0.000) 0.000 9.158 ( 0.000 0.000 -0.000) 0.000 9.158 ( 0.000 0.000 0.000) 0.000 9.518 ( 0.000 0.000 0.000) 0.000 9.518 ( 0.000 0.000 0.000) 0.000 12.631 ( 0.000 0.000 -0.000) 0.000 12.631 ( 0.000 0.000 0.000) 0.000 12.695 ( 0.000 0.000 -0.000) 0.000 12.695 ( 0.000 -0.000 0.000) 0.000 15.715 ( 0.000 0.000 0.000) 0.000 15.715 ( 0.000 0.000 0.000) 0.000 16.145 ( 0.000 0.000 0.000) 0.000 16.145 ( 0.000 0.000 0.000) 0.000 16.447 ( 0.000 0.000 0.000) 0.000 16.447 ( 0.000 0.000 0.000) 0.000 16.823 ( 0.000 0.000 0.000) 0.000 16.823 ( 0.000 0.000 0.000) 0.000 18.343 ( 0.000 0.000 -0.000) 0.000 18.343 ( 0.000 0.000 0.000) 0.000 19.235 ( 0.000 0.000 0.000) 0.000 19.235 ( 0.000 0.000 0.000) 0.000 19.450 ( 0.000 0.000 0.000) 0.000 19.450 ( 0.000 0.000 0.000) 0.000 20.226 ( 0.000 0.000 0.000) 0.000 20.226 ( 0.000 0.000 0.000) 0.000 22.036 ( 0.000 0.000 -0.000) 0.000 22.036 ( 0.000 0.000 0.000) 0.000 23.101 ( 0.000 0.000 0.000) 0.000 23.101 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 477 (140/144) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 24.668 -3.957 0.000) 24.983 1.922 ( 24.668 3.957 -0.000) 24.983 2.100 ( 11.545 -0.128 0.000) 11.545 2.100 ( 11.545 0.128 0.000) 11.545 4.334 ( -2.400 -0.967 0.000) 2.587 4.334 ( -2.400 0.967 0.000) 2.587 4.407 ( 0.172 -5.819 0.000) 5.822 4.407 ( 0.172 5.819 -0.000) 5.822 5.370 ( -1.040 -3.483 0.000) 3.635 5.370 ( -1.040 3.483 0.000) 3.635 6.409 ( 2.627 -0.244 0.000) 2.638 6.409 ( 2.627 0.244 0.000) 2.638 6.812 ( -3.578 -4.645 -0.000) 5.863 6.812 ( -3.578 4.645 -0.000) 5.863 7.879 ( -2.743 -1.267 0.000) 3.021 7.879 ( -2.743 1.267 0.000) 3.021 8.531 ( -1.588 -6.699 0.000) 6.885 8.531 ( -1.588 6.699 0.000) 6.885 8.816 ( -1.314 -7.052 0.000) 7.173 8.816 ( -1.314 7.052 0.000) 7.173 9.096 ( -6.229 -2.174 0.000) 6.597 9.096 ( -6.229 2.174 -0.000) 6.597 9.532 ( 2.148 -0.761 0.000) 2.278 9.532 ( 2.148 0.761 0.000) 2.278 12.515 ( -5.025 -6.754 0.000) 8.419 12.515 ( -5.025 6.754 -0.000) 8.419 12.869 ( 10.786 -7.708 0.000) 13.257 12.869 ( 10.786 7.708 0.000) 13.257 15.625 ( -7.487 -0.645 0.000) 7.514 15.625 ( -7.487 0.645 0.000) 7.514 16.169 ( -0.476 -3.440 0.000) 3.473 16.169 ( -0.476 3.440 0.000) 3.473 16.486 ( 5.671 -0.690 -0.000) 5.713 16.486 ( 5.671 0.690 0.000) 5.713 16.914 ( 8.656 -3.903 0.000) 9.495 16.914 ( 8.656 3.903 0.000) 9.495 18.370 ( 2.655 -1.014 0.000) 2.842 18.370 ( 2.655 1.014 0.000) 2.842 19.176 ( -5.469 -1.853 0.000) 5.774 19.176 ( -5.469 1.853 0.000) 5.774 19.476 ( 2.256 -0.424 0.000) 2.296 19.476 ( 2.256 0.424 0.000) 2.296 20.211 ( -1.598 -0.453 0.000) 1.661 20.211 ( -1.598 0.454 0.000) 1.661 22.048 ( 1.362 -0.011 0.000) 1.362 22.048 ( 1.362 0.011 0.000) 1.362 23.056 ( -4.536 -0.351 0.000) 4.549 23.056 ( -4.536 0.351 0.000) 4.549 ======================= Grid point 481 (141/144) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 8.739 -9.159 0.000) 12.659 2.157 ( 8.739 9.159 0.000) 12.659 2.661 ( 32.823 -2.693 -0.000) 32.933 2.661 ( 32.823 2.693 0.000) 32.933 4.259 ( -5.294 -4.607 0.000) 7.018 4.259 ( -5.294 4.607 0.000) 7.018 4.440 ( 4.168 -11.074 0.000) 11.832 4.440 ( 4.168 11.074 0.000) 11.832 5.361 ( 0.626 -7.102 0.000) 7.130 5.361 ( 0.626 7.102 0.000) 7.130 6.482 ( 4.752 -1.353 0.000) 4.941 6.482 ( 4.752 1.353 0.000) 4.941 6.717 ( -5.776 -6.137 -0.000) 8.427 6.717 ( -5.776 6.137 -0.000) 8.427 7.812 ( -3.881 -3.132 0.000) 4.987 7.812 ( -3.881 3.132 0.000) 4.987 8.502 ( -1.383 -7.644 0.000) 7.769 8.502 ( -1.383 7.644 0.000) 7.769 8.713 ( -9.910 -8.904 0.000) 13.322 8.713 ( -9.910 8.904 0.000) 13.322 8.940 ( -8.767 -3.426 0.000) 9.413 8.940 ( -8.767 3.426 0.000) 9.413 9.620 ( 6.663 -0.105 0.000) 6.664 9.620 ( 6.663 0.105 0.000) 6.664 12.463 ( -0.599 -8.816 0.000) 8.837 12.463 ( -0.599 8.816 -0.000) 8.837 13.069 ( 9.566 -9.582 0.000) 13.540 13.069 ( 9.566 9.582 0.000) 13.540 15.475 ( -7.462 -1.475 0.000) 7.606 15.475 ( -7.462 1.475 0.000) 7.606 16.106 ( -4.821 -7.806 0.000) 9.175 16.106 ( -4.821 7.806 -0.000) 9.175 16.646 ( 9.036 -4.403 0.000) 10.051 16.646 ( 9.036 4.403 0.000) 10.051 17.130 ( 13.077 -5.699 0.000) 14.265 17.130 ( 13.077 5.699 0.000) 14.265 18.434 ( 3.513 -2.112 0.000) 4.099 18.434 ( 3.513 2.112 0.000) 4.099 19.045 ( -7.667 -3.347 0.000) 8.365 19.045 ( -7.667 3.347 0.000) 8.365 19.528 ( 3.107 -0.485 0.000) 3.145 19.528 ( 3.107 0.485 0.000) 3.145 20.163 ( -3.313 -0.707 0.000) 3.388 20.163 ( -3.313 0.707 0.000) 3.388 22.091 ( 3.154 -0.405 0.000) 3.180 22.091 ( 3.154 0.405 0.000) 3.180 22.935 ( -7.664 -0.510 0.000) 7.681 22.935 ( -7.664 0.510 0.000) 7.681 ======================= Grid point 485 (142/144) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 11.521 -7.531 0.000) 13.764 2.354 ( 11.521 7.531 0.000) 13.764 3.140 ( 14.722 -2.306 0.000) 14.902 3.140 ( 14.722 2.306 0.000) 14.902 4.140 ( -6.492 -8.748 0.000) 10.894 4.140 ( -6.492 8.748 0.000) 10.894 4.593 ( 11.150 -13.346 0.000) 17.391 4.593 ( 11.150 13.346 0.000) 17.391 5.414 ( 5.129 -9.031 0.000) 10.386 5.414 ( 5.129 9.031 -0.000) 10.386 6.548 ( -1.919 -10.640 0.000) 10.812 6.548 ( -1.919 10.640 0.000) 10.812 6.655 ( 4.122 -2.957 -0.000) 5.073 6.655 ( 4.122 2.957 -0.000) 5.073 7.730 ( -5.023 -5.106 0.000) 7.162 7.730 ( -5.023 5.106 0.000) 7.162 8.413 ( -13.789 -2.827 0.000) 14.075 8.413 ( -13.789 2.827 0.000) 14.076 8.509 ( -3.825 -2.306 -0.000) 4.467 8.509 ( -3.825 2.306 -0.000) 4.467 8.790 ( -6.478 -1.958 0.000) 6.768 8.790 ( -6.478 1.958 0.000) 6.768 9.762 ( 7.260 -2.068 0.000) 7.549 9.762 ( 7.260 2.068 0.000) 7.549 12.477 ( 1.528 -11.300 0.000) 11.403 12.477 ( 1.528 11.300 -0.000) 11.403 13.230 ( 6.943 -11.033 0.000) 13.036 13.230 ( 6.943 11.033 0.000) 13.036 15.347 ( -5.546 -2.517 0.000) 6.090 15.347 ( -5.546 2.517 0.000) 6.090 16.013 ( -4.402 -10.457 0.000) 11.346 16.013 ( -4.402 10.457 -0.000) 11.346 16.798 ( 6.370 -6.161 0.000) 8.862 16.798 ( 6.370 6.161 0.000) 8.862 17.390 ( 12.918 -7.662 0.000) 15.019 17.390 ( 12.918 7.662 0.000) 15.019 18.494 ( 2.454 -3.323 0.000) 4.131 18.494 ( 2.454 3.323 0.000) 4.131 18.897 ( -7.121 -4.705 0.000) 8.535 18.897 ( -7.121 4.705 0.000) 8.535 19.599 ( 4.241 -0.459 0.000) 4.266 19.599 ( 4.241 0.459 0.000) 4.266 20.082 ( -5.049 -0.705 0.000) 5.098 20.082 ( -5.049 0.705 0.000) 5.098 22.172 ( 5.144 -1.392 0.000) 5.329 22.172 ( 5.144 1.392 0.000) 5.329 22.773 ( -8.866 -0.218 0.000) 8.869 22.773 ( -8.866 0.218 0.000) 8.869 ======================= Grid point 489 (143/144) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 11.380 -1.644 0.000) 11.498 2.584 ( 11.380 1.644 0.000) 11.498 3.244 ( -1.726 -3.172 0.000) 3.611 3.244 ( -1.726 3.172 0.000) 3.611 4.036 ( -3.749 -8.743 0.000) 9.513 4.036 ( -3.749 8.743 0.000) 9.513 4.797 ( 7.961 -14.630 0.000) 16.656 4.797 ( 7.961 14.630 0.000) 16.656 5.544 ( 7.005 -6.877 0.000) 9.817 5.544 ( 7.005 6.877 -0.000) 9.817 6.476 ( -3.065 -8.810 0.000) 9.328 6.476 ( -3.065 8.810 -0.000) 9.328 6.841 ( 13.142 -2.205 0.000) 13.326 6.841 ( 13.142 2.205 0.000) 13.326 7.583 ( -11.256 -3.922 0.000) 11.920 7.583 ( -11.256 3.922 0.000) 11.920 8.133 ( -11.193 -7.820 0.000) 13.655 8.133 ( -11.193 7.820 0.000) 13.655 8.479 ( -0.881 -3.443 0.000) 3.554 8.479 ( -0.881 3.443 -0.000) 3.554 8.694 ( -3.349 -2.857 0.000) 4.402 8.694 ( -3.349 2.857 0.000) 4.402 9.878 ( 4.301 -3.747 0.000) 5.704 9.878 ( 4.301 3.747 0.000) 5.704 12.507 ( 1.323 -13.069 0.000) 13.135 12.507 ( 1.323 13.069 -0.000) 13.135 13.334 ( 3.656 -11.816 0.000) 12.369 13.334 ( 3.656 11.816 0.000) 12.369 15.265 ( -2.912 -3.576 0.000) 4.612 15.265 ( -2.912 3.576 0.000) 4.612 15.945 ( -2.495 -12.321 0.000) 12.571 15.945 ( -2.495 12.321 -0.000) 12.571 16.890 ( 3.208 -6.926 0.000) 7.633 16.890 ( 3.208 6.926 0.000) 7.633 17.596 ( 7.709 -9.586 0.000) 12.301 17.596 ( 7.709 9.587 0.000) 12.301 18.526 ( 0.975 -4.349 -0.000) 4.457 18.526 ( 0.975 4.349 0.000) 4.458 18.785 ( -4.175 -5.834 0.000) 7.174 18.785 ( -4.175 5.834 -0.000) 7.174 19.693 ( 5.370 -0.389 0.000) 5.384 19.693 ( 5.370 0.389 0.000) 5.384 19.972 ( -6.059 -0.569 0.000) 6.085 19.972 ( -6.059 0.569 0.000) 6.085 22.287 ( 6.650 -3.470 0.000) 7.501 22.287 ( 6.650 3.470 0.000) 7.501 22.602 ( -8.553 -1.275 0.000) 8.648 22.602 ( -8.553 1.276 0.000) 8.648 ======================= Grid point 493 (144/144) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 0.000 -5.356 0.000) 5.356 2.720 ( -0.000 5.356 0.000) 5.356 3.195 ( 0.000 -11.442 0.000) 11.442 3.195 ( 0.000 11.442 0.000) 11.442 4.000 ( 0.000 -7.157 0.000) 7.157 4.000 ( 0.000 7.157 0.000) 7.157 4.874 ( 0.000 -15.669 0.000) 15.669 4.874 ( 0.000 15.669 0.000) 15.669 5.622 ( 0.000 -4.722 0.000) 4.722 5.622 ( 0.000 4.722 0.000) 4.722 6.447 ( 0.000 -7.384 0.000) 7.384 6.447 ( 0.000 7.384 0.000) 7.384 7.055 ( 0.000 -1.320 0.000) 1.320 7.055 ( 0.000 1.320 0.000) 1.320 7.381 ( -0.000 -1.401 0.000) 1.401 7.381 ( 0.000 1.401 0.000) 1.401 8.029 ( 0.000 -10.500 0.000) 10.500 8.029 ( 0.000 10.500 0.000) 10.500 8.470 ( 0.000 -2.314 0.000) 2.314 8.470 ( 0.000 2.314 0.000) 2.314 8.662 ( 0.000 -3.973 0.000) 3.973 8.662 ( 0.000 3.973 0.000) 3.973 9.920 ( 0.000 -4.384 0.000) 4.384 9.920 ( 0.000 4.384 0.000) 4.384 12.521 ( 0.000 -13.674 0.000) 13.674 12.521 ( 0.000 13.674 -0.000) 13.674 13.369 ( 0.000 -12.042 0.000) 12.042 13.369 ( 0.000 12.042 0.000) 12.042 15.236 ( 0.000 -4.052 0.000) 4.052 15.236 ( 0.000 4.052 0.000) 4.052 15.920 ( 0.000 -13.042 0.000) 13.042 15.920 ( 0.000 13.042 -0.000) 13.042 16.921 ( 0.000 -7.164 0.000) 7.164 16.921 ( 0.000 7.164 0.000) 7.164 17.673 ( 0.000 -10.386 0.000) 10.386 17.673 ( 0.000 10.386 0.000) 10.386 18.535 ( 0.000 -4.645 -0.000) 4.645 18.535 ( 0.000 4.645 0.000) 4.645 18.744 ( 0.000 -6.411 0.000) 6.411 18.744 ( 0.000 6.411 0.000) 6.411 19.774 ( -0.000 -0.325 0.000) 0.325 19.774 ( -0.000 0.325 0.000) 0.325 19.884 ( 0.000 -0.513 0.000) 0.513 19.884 ( 0.000 0.513 0.000) 0.513 22.400 ( 0.000 -13.829 0.000) 13.829 22.400 ( 0.000 13.829 0.000) 13.829 22.471 ( 0.000 -11.408 0.000) 11.408 22.471 ( 0.000 11.408 0.000) 11.408 =================== 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 3/28800 10.0 242.941 378.359 431.391 0.000 0.000 0.000 3/28800 20.0 145.863 133.282 212.409 0.000 0.000 0.000 3/28800 30.0 140.136 104.958 139.963 0.000 0.000 0.000 3/28800 40.0 121.112 86.439 103.808 0.000 0.000 0.000 3/28800 50.0 100.862 71.629 81.715 0.000 0.000 0.000 3/28800 60.0 83.889 59.984 66.643 0.000 0.000 0.000 3/28800 70.0 70.600 50.895 55.747 0.000 0.000 0.000 3/28800 80.0 60.328 43.776 47.580 0.000 0.000 0.000 3/28800 90.0 52.324 38.144 41.285 0.000 0.000 0.000 3/28800 100.0 45.989 33.629 36.317 0.000 0.000 0.000 3/28800 110.0 40.887 29.959 32.316 0.000 0.000 0.000 3/28800 120.0 36.711 26.937 29.038 0.000 0.000 0.000 3/28800 130.0 33.241 24.417 26.312 0.000 0.000 0.000 3/28800 140.0 30.322 22.292 24.015 0.000 0.000 0.000 3/28800 150.0 27.837 20.483 22.059 0.000 0.000 0.000 3/28800 160.0 25.703 18.929 20.377 0.000 0.000 0.000 3/28800 170.0 23.853 17.584 18.918 0.000 0.000 0.000 3/28800 180.0 22.237 16.409 17.643 0.000 0.000 0.000 3/28800 190.0 20.816 15.378 16.522 0.000 0.000 0.000 3/28800 200.0 19.559 14.466 15.529 0.000 0.000 0.000 3/28800 210.0 18.440 13.655 14.644 0.000 0.000 0.000 3/28800 220.0 17.438 12.930 13.852 0.000 0.000 0.000 3/28800 230.0 16.538 12.278 13.140 0.000 0.000 0.000 3/28800 240.0 15.724 11.690 12.496 0.000 0.000 0.000 3/28800 250.0 14.986 11.156 11.912 0.000 0.000 0.000 3/28800 260.0 14.313 10.669 11.380 0.000 0.000 0.000 3/28800 270.0 13.699 10.224 10.893 0.000 0.000 0.000 3/28800 280.0 13.135 9.816 10.446 0.000 0.000 0.000 3/28800 290.0 12.615 9.440 10.034 0.000 0.000 0.000 3/28800 300.0 12.136 9.092 9.654 0.000 0.000 0.000 3/28800 310.0 11.692 8.770 9.302 0.000 0.000 0.000 3/28800 320.0 11.280 8.471 8.975 0.000 0.000 0.000 3/28800 330.0 10.896 8.192 8.670 0.000 0.000 0.000 3/28800 340.0 10.538 7.932 8.386 0.000 0.000 0.000 3/28800 350.0 10.203 7.688 8.120 0.000 0.000 0.000 3/28800 360.0 9.889 7.459 7.871 0.000 0.000 0.000 3/28800 370.0 9.594 7.243 7.636 0.000 0.000 0.000 3/28800 380.0 9.317 7.040 7.416 0.000 0.000 0.000 3/28800 390.0 9.055 6.849 7.208 0.000 0.000 0.000 3/28800 400.0 8.808 6.668 7.012 0.000 0.000 0.000 3/28800 410.0 8.575 6.496 6.826 0.000 0.000 0.000 3/28800 420.0 8.354 6.334 6.651 0.000 0.000 0.000 3/28800 430.0 8.144 6.179 6.484 0.000 0.000 0.000 3/28800 440.0 7.944 6.033 6.325 0.000 0.000 0.000 3/28800 450.0 7.755 5.893 6.175 0.000 0.000 0.000 3/28800 460.0 7.574 5.759 6.031 0.000 0.000 0.000 3/28800 470.0 7.402 5.632 5.894 0.000 0.000 0.000 3/28800 480.0 7.238 5.510 5.763 0.000 0.000 0.000 3/28800 490.0 7.081 5.394 5.638 0.000 0.000 0.000 3/28800 500.0 6.931 5.282 5.519 0.000 0.000 0.000 3/28800 510.0 6.787 5.175 5.404 0.000 0.000 0.000 3/28800 520.0 6.649 5.073 5.295 0.000 0.000 0.000 3/28800 530.0 6.516 4.974 5.189 0.000 0.000 0.000 3/28800 540.0 6.389 4.880 5.088 0.000 0.000 0.000 3/28800 550.0 6.267 4.789 4.991 0.000 0.000 0.000 3/28800 560.0 6.150 4.701 4.898 0.000 0.000 0.000 3/28800 570.0 6.037 4.616 4.808 0.000 0.000 0.000 3/28800 580.0 5.928 4.535 4.721 0.000 0.000 0.000 3/28800 590.0 5.823 4.456 4.638 0.000 0.000 0.000 3/28800 600.0 5.722 4.381 4.557 0.000 0.000 0.000 3/28800 610.0 5.624 4.307 4.479 0.000 0.000 0.000 3/28800 620.0 5.530 4.237 4.404 0.000 0.000 0.000 3/28800 630.0 5.439 4.168 4.332 0.000 0.000 0.000 3/28800 640.0 5.351 4.102 4.261 0.000 0.000 0.000 3/28800 650.0 5.265 4.038 4.193 0.000 0.000 0.000 3/28800 660.0 5.183 3.975 4.128 0.000 0.000 0.000 3/28800 670.0 5.103 3.915 4.064 0.000 0.000 0.000 3/28800 680.0 5.025 3.857 4.002 0.000 0.000 0.000 3/28800 690.0 4.950 3.800 3.942 0.000 0.000 0.000 3/28800 700.0 4.877 3.745 3.884 0.000 0.000 0.000 3/28800 710.0 4.806 3.691 3.828 0.000 0.000 0.000 3/28800 720.0 4.737 3.639 3.773 0.000 0.000 0.000 3/28800 730.0 4.671 3.589 3.720 0.000 0.000 0.000 3/28800 740.0 4.606 3.540 3.668 0.000 0.000 0.000 3/28800 750.0 4.543 3.492 3.618 0.000 0.000 0.000 3/28800 760.0 4.481 3.446 3.569 0.000 0.000 0.000 3/28800 770.0 4.422 3.400 3.522 0.000 0.000 0.000 3/28800 780.0 4.364 3.356 3.476 0.000 0.000 0.000 3/28800 790.0 4.307 3.313 3.430 0.000 0.000 0.000 3/28800 800.0 4.252 3.272 3.387 0.000 0.000 0.000 3/28800 810.0 4.198 3.231 3.344 0.000 0.000 0.000 3/28800 820.0 4.146 3.191 3.302 0.000 0.000 0.000 3/28800 830.0 4.095 3.152 3.261 0.000 0.000 0.000 3/28800 840.0 4.045 3.114 3.222 0.000 0.000 0.000 3/28800 850.0 3.996 3.078 3.183 0.000 0.000 0.000 3/28800 860.0 3.949 3.041 3.145 0.000 0.000 0.000 3/28800 870.0 3.903 3.006 3.109 0.000 0.000 0.000 3/28800 880.0 3.858 2.972 3.073 0.000 0.000 0.000 3/28800 890.0 3.813 2.938 3.037 0.000 0.000 0.000 3/28800 900.0 3.770 2.905 3.003 0.000 0.000 0.000 3/28800 910.0 3.728 2.873 2.969 0.000 0.000 0.000 3/28800 920.0 3.687 2.842 2.937 0.000 0.000 0.000 3/28800 930.0 3.647 2.811 2.904 0.000 0.000 0.000 3/28800 940.0 3.607 2.781 2.873 0.000 0.000 0.000 3/28800 950.0 3.569 2.751 2.842 0.000 0.000 0.000 3/28800 960.0 3.531 2.723 2.812 0.000 0.000 0.000 3/28800 970.0 3.494 2.694 2.783 0.000 0.000 0.000 3/28800 980.0 3.458 2.667 2.754 0.000 0.000 0.000 3/28800 990.0 3.422 2.640 2.726 0.000 0.000 0.000 3/28800 1000.0 3.387 2.613 2.698 0.000 0.000 0.000 3/28800 Thermal conductivity related properties were written into "kappa-m10106.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:30:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|