----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:20:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.599415590000002 0.000000000000000 0.000000000000000 b 0.000000000000000 6.992124700000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.364373340000000 Atomic positions (fractional): *1 F 0.48127740411264 0.75000000000000 0.07557720261375 18.998 2 F 0.01872259588736 0.25000000000000 0.57557720261375 18.998 3 F 0.98127740411264 0.75000000000000 0.42442279738625 18.998 4 F 0.51872259588736 0.25000000000000 0.92442279738625 18.998 *5 F 0.66510791699702 0.06460226663045 0.39180758749513 18.998 6 F 0.83489208300298 0.93539773336955 0.89180758749513 18.998 7 F 0.16510791699703 0.43539773336955 0.10819241250487 18.998 8 F 0.33489208300298 0.56460226663045 0.60819241250487 18.998 9 F 0.33489208300298 0.93539773336955 0.60819241250487 18.998 10 F 0.16510791699703 0.06460226663045 0.10819241250487 18.998 11 F 0.83489208300298 0.56460226663045 0.89180758749513 18.998 12 F 0.66510791699702 0.43539773336955 0.39180758749513 18.998 *13 Sm 0.13154800556993 0.75000000000000 0.93389836893454 150.360 14 Sm 0.36845199443007 0.25000000000000 0.43389836893454 150.360 15 Sm 0.63154800556993 0.75000000000000 0.56610163106546 150.360 16 Sm 0.86845199443007 0.25000000000000 0.06610163106546 150.360 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.599415590000002 0.000000000000000 0.000000000000000 b 0.000000000000000 6.992124700000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.364373340000000 Atomic positions (fractional): *1 F 0.48127740411264 0.75000000000000 0.07557720261375 18.998 > 1 2 F 0.01872259588736 0.25000000000000 0.57557720261375 18.998 > 2 3 F 0.98127740411264 0.75000000000000 0.42442279738625 18.998 > 3 4 F 0.51872259588736 0.25000000000000 0.92442279738625 18.998 > 4 *5 F 0.66510791699702 0.06460226663045 0.39180758749513 18.998 > 5 6 F 0.83489208300298 0.93539773336955 0.89180758749513 18.998 > 6 7 F 0.16510791699703 0.43539773336955 0.10819241250487 18.998 > 7 8 F 0.33489208300298 0.56460226663045 0.60819241250487 18.998 > 8 9 F 0.33489208300298 0.93539773336955 0.60819241250487 18.998 > 9 10 F 0.16510791699703 0.06460226663045 0.10819241250487 18.998 > 10 11 F 0.83489208300298 0.56460226663045 0.89180758749513 18.998 > 11 12 F 0.66510791699702 0.43539773336955 0.39180758749513 18.998 > 12 *13 Sm 0.13154800556993 0.75000000000000 0.93389836893454 150.360 > 13 14 Sm 0.36845199443007 0.25000000000000 0.43389836893454 150.360 > 14 15 Sm 0.63154800556993 0.75000000000000 0.56610163106546 150.360 > 15 16 Sm 0.86845199443007 0.25000000000000 0.06610163106546 150.360 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.198831180000004 0.000000000000000 0.000000000000000 b 0.000000000000000 13.984249399999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.728746680000000 Atomic positions (fractional): *1 F 0.24063870205632 0.37500000000000 0.03778860130687 18.998 > 1 2 F 0.74063870205632 0.37500000000000 0.03778860130687 18.998 > 1 3 F 0.24063870205632 0.87500000000000 0.03778860130687 18.998 > 1 4 F 0.74063870205632 0.87500000000000 0.03778860130687 18.998 > 1 5 F 0.24063870205632 0.37500000000000 0.53778860130687 18.998 > 1 6 F 0.74063870205632 0.37500000000000 0.53778860130687 18.998 > 1 7 F 0.24063870205632 0.87500000000000 0.53778860130687 18.998 > 1 8 F 0.74063870205632 0.87500000000000 0.53778860130687 18.998 > 1 9 F 0.00936129794368 0.12500000000000 0.28778860130687 18.998 > 2 10 F 0.50936129794368 0.12500000000000 0.28778860130687 18.998 > 2 11 F 0.00936129794368 0.62500000000000 0.28778860130687 18.998 > 2 12 F 0.50936129794368 0.62500000000000 0.28778860130687 18.998 > 2 13 F 0.00936129794368 0.12500000000000 0.78778860130687 18.998 > 2 14 F 0.50936129794368 0.12500000000000 0.78778860130687 18.998 > 2 15 F 0.00936129794368 0.62500000000000 0.78778860130687 18.998 > 2 16 F 0.50936129794368 0.62500000000000 0.78778860130687 18.998 > 2 17 F 0.49063870205632 0.37500000000000 0.21221139869313 18.998 > 3 18 F 0.99063870205632 0.37500000000000 0.21221139869313 18.998 > 3 19 F 0.49063870205632 0.87500000000000 0.21221139869313 18.998 > 3 20 F 0.99063870205632 0.87500000000000 0.21221139869313 18.998 > 3 21 F 0.49063870205632 0.37500000000000 0.71221139869313 18.998 > 3 22 F 0.99063870205632 0.37500000000000 0.71221139869313 18.998 > 3 23 F 0.49063870205632 0.87500000000000 0.71221139869313 18.998 > 3 24 F 0.99063870205632 0.87500000000000 0.71221139869313 18.998 > 3 25 F 0.25936129794368 0.12500000000000 0.46221139869313 18.998 > 4 26 F 0.75936129794368 0.12500000000000 0.46221139869313 18.998 > 4 27 F 0.25936129794368 0.62500000000000 0.46221139869313 18.998 > 4 28 F 0.75936129794368 0.62500000000000 0.46221139869313 18.998 > 4 29 F 0.25936129794368 0.12500000000000 0.96221139869313 18.998 > 4 30 F 0.75936129794368 0.12500000000000 0.96221139869313 18.998 > 4 31 F 0.25936129794368 0.62500000000000 0.96221139869313 18.998 > 4 32 F 0.75936129794368 0.62500000000000 0.96221139869313 18.998 > 4 *33 F 0.33255395849851 0.03230113331523 0.19590379374757 18.998 > 5 34 F 0.83255395849851 0.03230113331523 0.19590379374757 18.998 > 5 35 F 0.33255395849851 0.53230113331523 0.19590379374757 18.998 > 5 36 F 0.83255395849851 0.53230113331523 0.19590379374757 18.998 > 5 37 F 0.33255395849851 0.03230113331523 0.69590379374757 18.998 > 5 38 F 0.83255395849851 0.03230113331523 0.69590379374757 18.998 > 5 39 F 0.33255395849851 0.53230113331523 0.69590379374757 18.998 > 5 40 F 0.83255395849851 0.53230113331523 0.69590379374757 18.998 > 5 41 F 0.41744604150149 0.46769886668477 0.44590379374757 18.998 > 6 42 F 0.91744604150149 0.46769886668477 0.44590379374757 18.998 > 6 43 F 0.41744604150149 0.96769886668477 0.44590379374757 18.998 > 6 44 F 0.91744604150149 0.96769886668477 0.44590379374757 18.998 > 6 45 F 0.41744604150149 0.46769886668477 0.94590379374757 18.998 > 6 46 F 0.91744604150149 0.46769886668477 0.94590379374757 18.998 > 6 47 F 0.41744604150149 0.96769886668477 0.94590379374757 18.998 > 6 48 F 0.91744604150149 0.96769886668477 0.94590379374757 18.998 > 6 49 F 0.08255395849851 0.21769886668477 0.05409620625243 18.998 > 7 50 F 0.58255395849851 0.21769886668477 0.05409620625243 18.998 > 7 51 F 0.08255395849851 0.71769886668477 0.05409620625243 18.998 > 7 52 F 0.58255395849851 0.71769886668477 0.05409620625243 18.998 > 7 53 F 0.08255395849851 0.21769886668477 0.55409620625243 18.998 > 7 54 F 0.58255395849851 0.21769886668477 0.55409620625243 18.998 > 7 55 F 0.08255395849851 0.71769886668477 0.55409620625243 18.998 > 7 56 F 0.58255395849851 0.71769886668477 0.55409620625243 18.998 > 7 57 F 0.16744604150149 0.28230113331523 0.30409620625243 18.998 > 8 58 F 0.66744604150149 0.28230113331523 0.30409620625243 18.998 > 8 59 F 0.16744604150149 0.78230113331523 0.30409620625243 18.998 > 8 60 F 0.66744604150149 0.78230113331523 0.30409620625243 18.998 > 8 61 F 0.16744604150149 0.28230113331523 0.80409620625243 18.998 > 8 62 F 0.66744604150149 0.28230113331523 0.80409620625243 18.998 > 8 63 F 0.16744604150149 0.78230113331523 0.80409620625243 18.998 > 8 64 F 0.66744604150149 0.78230113331523 0.80409620625243 18.998 > 8 65 F 0.16744604150149 0.46769886668477 0.30409620625243 18.998 > 9 66 F 0.66744604150149 0.46769886668477 0.30409620625243 18.998 > 9 67 F 0.16744604150149 0.96769886668477 0.30409620625243 18.998 > 9 68 F 0.66744604150149 0.96769886668477 0.30409620625243 18.998 > 9 69 F 0.16744604150149 0.46769886668477 0.80409620625243 18.998 > 9 70 F 0.66744604150149 0.46769886668477 0.80409620625243 18.998 > 9 71 F 0.16744604150149 0.96769886668477 0.80409620625243 18.998 > 9 72 F 0.66744604150149 0.96769886668477 0.80409620625243 18.998 > 9 73 F 0.08255395849851 0.03230113331523 0.05409620625243 18.998 > 10 74 F 0.58255395849851 0.03230113331523 0.05409620625243 18.998 > 10 75 F 0.08255395849851 0.53230113331523 0.05409620625243 18.998 > 10 76 F 0.58255395849851 0.53230113331523 0.05409620625243 18.998 > 10 77 F 0.08255395849851 0.03230113331523 0.55409620625243 18.998 > 10 78 F 0.58255395849851 0.03230113331523 0.55409620625243 18.998 > 10 79 F 0.08255395849851 0.53230113331523 0.55409620625243 18.998 > 10 80 F 0.58255395849851 0.53230113331523 0.55409620625243 18.998 > 10 81 F 0.41744604150149 0.28230113331523 0.44590379374757 18.998 > 11 82 F 0.91744604150149 0.28230113331523 0.44590379374757 18.998 > 11 83 F 0.41744604150149 0.78230113331523 0.44590379374757 18.998 > 11 84 F 0.91744604150149 0.78230113331523 0.44590379374757 18.998 > 11 85 F 0.41744604150149 0.28230113331523 0.94590379374757 18.998 > 11 86 F 0.91744604150149 0.28230113331523 0.94590379374757 18.998 > 11 87 F 0.41744604150149 0.78230113331523 0.94590379374757 18.998 > 11 88 F 0.91744604150149 0.78230113331523 0.94590379374757 18.998 > 11 89 F 0.33255395849851 0.21769886668477 0.19590379374757 18.998 > 12 90 F 0.83255395849851 0.21769886668477 0.19590379374757 18.998 > 12 91 F 0.33255395849851 0.71769886668477 0.19590379374757 18.998 > 12 92 F 0.83255395849851 0.71769886668477 0.19590379374757 18.998 > 12 93 F 0.33255395849851 0.21769886668477 0.69590379374757 18.998 > 12 94 F 0.83255395849851 0.21769886668477 0.69590379374757 18.998 > 12 95 F 0.33255395849851 0.71769886668477 0.69590379374757 18.998 > 12 96 F 0.83255395849851 0.71769886668477 0.69590379374757 18.998 > 12 *97 Sm 0.06577400278496 0.37500000000000 0.46694918446727 150.360 > 13 98 Sm 0.56577400278496 0.37500000000000 0.46694918446727 150.360 > 13 99 Sm 0.06577400278496 0.87500000000000 0.46694918446727 150.360 > 13 100 Sm 0.56577400278496 0.87500000000000 0.46694918446727 150.360 > 13 101 Sm 0.06577400278496 0.37500000000000 0.96694918446727 150.360 > 13 102 Sm 0.56577400278496 0.37500000000000 0.96694918446727 150.360 > 13 103 Sm 0.06577400278496 0.87500000000000 0.96694918446727 150.360 > 13 104 Sm 0.56577400278496 0.87500000000000 0.96694918446727 150.360 > 13 105 Sm 0.18422599721504 0.12500000000000 0.21694918446727 150.360 > 14 106 Sm 0.68422599721504 0.12500000000000 0.21694918446727 150.360 > 14 107 Sm 0.18422599721504 0.62500000000000 0.21694918446727 150.360 > 14 108 Sm 0.68422599721504 0.62500000000000 0.21694918446727 150.360 > 14 109 Sm 0.18422599721504 0.12500000000000 0.71694918446727 150.360 > 14 110 Sm 0.68422599721504 0.12500000000000 0.71694918446727 150.360 > 14 111 Sm 0.18422599721504 0.62500000000000 0.71694918446727 150.360 > 14 112 Sm 0.68422599721504 0.62500000000000 0.71694918446727 150.360 > 14 113 Sm 0.31577400278496 0.37500000000000 0.28305081553273 150.360 > 15 114 Sm 0.81577400278496 0.37500000000000 0.28305081553273 150.360 > 15 115 Sm 0.31577400278496 0.87500000000000 0.28305081553273 150.360 > 15 116 Sm 0.81577400278496 0.87500000000000 0.28305081553273 150.360 > 15 117 Sm 0.31577400278496 0.37500000000000 0.78305081553273 150.360 > 15 118 Sm 0.81577400278496 0.37500000000000 0.78305081553273 150.360 > 15 119 Sm 0.31577400278496 0.87500000000000 0.78305081553273 150.360 > 15 120 Sm 0.81577400278496 0.87500000000000 0.78305081553273 150.360 > 15 121 Sm 0.43422599721504 0.12500000000000 0.03305081553273 150.360 > 16 122 Sm 0.93422599721504 0.12500000000000 0.03305081553273 150.360 > 16 123 Sm 0.43422599721504 0.62500000000000 0.03305081553273 150.360 > 16 124 Sm 0.93422599721504 0.62500000000000 0.03305081553273 150.360 > 16 125 Sm 0.43422599721504 0.12500000000000 0.53305081553273 150.360 > 16 126 Sm 0.93422599721504 0.12500000000000 0.53305081553273 150.360 > 16 127 Sm 0.43422599721504 0.62500000000000 0.53305081553273 150.360 > 16 128 Sm 0.93422599721504 0.62500000000000 0.53305081553273 150.360 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8441128 0.0000000 0.0000000 0.0000000 2.7949209 0.0000000 0.0000000 0.0000000 2.7179944 -------------------------- Born effective charges -------------------------- 1 F -1.4536035 0.0000000 -0.1788457 0.0000000 -0.7137801 0.0000000 -0.2027051 0.0000000 -1.7178213 2 F -1.4536035 0.0000000 0.1788457 0.0000000 -0.7137801 0.0000000 0.2027051 0.0000000 -1.7178213 3 F -1.4536035 0.0000000 0.1788457 0.0000000 -0.7137801 0.0000000 0.2027051 0.0000000 -1.7178213 4 F -1.4536035 0.0000000 -0.1788457 0.0000000 -0.7137801 0.0000000 -0.2027051 0.0000000 -1.7178213 5 F -1.2991469 0.0187178 0.2467822 0.0122398 -1.6300161 0.3547602 0.2647933 0.3609487 -1.0059948 6 F -1.2991469 0.0187178 -0.2467822 0.0122398 -1.6300161 -0.3547602 -0.2647933 -0.3609487 -1.0059948 7 F -1.2991469 -0.0187178 -0.2467822 -0.0122398 -1.6300161 0.3547602 -0.2647933 0.3609487 -1.0059948 8 F -1.2991469 -0.0187178 0.2467822 -0.0122398 -1.6300161 -0.3547602 0.2647933 -0.3609487 -1.0059948 9 F -1.2991469 0.0187178 0.2467822 0.0122398 -1.6300161 0.3547602 0.2647933 0.3609487 -1.0059948 10 F -1.2991469 0.0187178 -0.2467822 0.0122398 -1.6300161 -0.3547602 -0.2647933 -0.3609487 -1.0059948 11 F -1.2991469 -0.0187178 -0.2467822 -0.0122398 -1.6300161 0.3547602 -0.2647933 0.3609487 -1.0059948 12 F -1.2991469 -0.0187178 0.2467822 -0.0122398 -1.6300161 -0.3547602 0.2647933 -0.3609487 -1.0059948 13 Sm 4.0518974 0.0000000 -0.2643026 0.0000000 3.9738123 0.0000000 -0.1748222 0.0000000 3.7298108 14 Sm 4.0518974 0.0000000 0.2643026 0.0000000 3.9738123 0.0000000 0.1748222 0.0000000 3.7298108 15 Sm 4.0518974 0.0000000 0.2643026 0.0000000 3.9738123 0.0000000 0.1748222 0.0000000 3.7298108 16 Sm 4.0518974 0.0000000 -0.2643026 0.0000000 3.9738123 0.0000000 -0.1748222 0.0000000 3.7298108 ---------------------------------------------------------------------------- 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: 1240 Number of blocks in projector: 1240 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: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1240, 1221), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (288, 282), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.727 Solver_block: 200 / 240 - Time: 1.745 Solver_block: 240 / 240 - Time: 0.759 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.257 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) 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: 1240 Number of blocks in projector: 1240 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: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1240, 1221), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (288, 282), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:20:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:20:35]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.599415590000002 0.000000000000000 0.000000000000000 b 0.000000000000000 6.992124700000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.364373340000000 Atomic positions (fractional): 1 F 0.48127740411264 0.75000000000000 0.07557720261375 18.998 2 F 0.01872259588736 0.25000000000000 0.57557720261375 18.998 3 F 0.98127740411264 0.75000000000000 0.42442279738625 18.998 4 F 0.51872259588736 0.25000000000000 0.92442279738625 18.998 5 F 0.66510791699702 0.06460226663045 0.39180758749513 18.998 6 F 0.83489208300298 0.93539773336955 0.89180758749513 18.998 7 F 0.16510791699703 0.43539773336955 0.10819241250487 18.998 8 F 0.33489208300298 0.56460226663045 0.60819241250487 18.998 9 F 0.33489208300298 0.93539773336955 0.60819241250487 18.998 10 F 0.16510791699703 0.06460226663045 0.10819241250487 18.998 11 F 0.83489208300298 0.56460226663045 0.89180758749513 18.998 12 F 0.66510791699702 0.43539773336955 0.39180758749513 18.998 13 Sm 0.13154800556993 0.75000000000000 0.93389836893454 150.360 14 Sm 0.36845199443007 0.25000000000000 0.43389836893454 150.360 15 Sm 0.63154800556993 0.75000000000000 0.56610163106546 150.360 16 Sm 0.86845199443007 0.25000000000000 0.06610163106546 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.198831180000004 0.000000000000000 0.000000000000000 b 0.000000000000000 13.984249399999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.728746680000000 Atomic positions (fractional): 1 F 0.24063870205632 0.37500000000000 0.03778860130687 18.998 > 1 2 F 0.74063870205632 0.37500000000000 0.03778860130687 18.998 > 1 3 F 0.24063870205632 0.87500000000000 0.03778860130687 18.998 > 1 4 F 0.74063870205632 0.87500000000000 0.03778860130687 18.998 > 1 5 F 0.24063870205632 0.37500000000000 0.53778860130687 18.998 > 1 6 F 0.74063870205632 0.37500000000000 0.53778860130687 18.998 > 1 7 F 0.24063870205632 0.87500000000000 0.53778860130687 18.998 > 1 8 F 0.74063870205632 0.87500000000000 0.53778860130687 18.998 > 1 9 F 0.00936129794368 0.12500000000000 0.28778860130687 18.998 > 9 10 F 0.50936129794368 0.12500000000000 0.28778860130687 18.998 > 9 11 F 0.00936129794368 0.62500000000000 0.28778860130687 18.998 > 9 12 F 0.50936129794368 0.62500000000000 0.28778860130687 18.998 > 9 13 F 0.00936129794368 0.12500000000000 0.78778860130687 18.998 > 9 14 F 0.50936129794368 0.12500000000000 0.78778860130687 18.998 > 9 15 F 0.00936129794368 0.62500000000000 0.78778860130687 18.998 > 9 16 F 0.50936129794368 0.62500000000000 0.78778860130687 18.998 > 9 17 F 0.49063870205632 0.37500000000000 0.21221139869313 18.998 > 17 18 F 0.99063870205632 0.37500000000000 0.21221139869313 18.998 > 17 19 F 0.49063870205632 0.87500000000000 0.21221139869313 18.998 > 17 20 F 0.99063870205632 0.87500000000000 0.21221139869313 18.998 > 17 21 F 0.49063870205632 0.37500000000000 0.71221139869313 18.998 > 17 22 F 0.99063870205632 0.37500000000000 0.71221139869313 18.998 > 17 23 F 0.49063870205632 0.87500000000000 0.71221139869313 18.998 > 17 24 F 0.99063870205632 0.87500000000000 0.71221139869313 18.998 > 17 25 F 0.25936129794368 0.12500000000000 0.46221139869313 18.998 > 25 26 F 0.75936129794368 0.12500000000000 0.46221139869313 18.998 > 25 27 F 0.25936129794368 0.62500000000000 0.46221139869313 18.998 > 25 28 F 0.75936129794368 0.62500000000000 0.46221139869313 18.998 > 25 29 F 0.25936129794368 0.12500000000000 0.96221139869313 18.998 > 25 30 F 0.75936129794368 0.12500000000000 0.96221139869313 18.998 > 25 31 F 0.25936129794368 0.62500000000000 0.96221139869313 18.998 > 25 32 F 0.75936129794368 0.62500000000000 0.96221139869313 18.998 > 25 33 F 0.33255395849851 0.03230113331523 0.19590379374757 18.998 > 33 34 F 0.83255395849851 0.03230113331523 0.19590379374757 18.998 > 33 35 F 0.33255395849851 0.53230113331523 0.19590379374757 18.998 > 33 36 F 0.83255395849851 0.53230113331523 0.19590379374757 18.998 > 33 37 F 0.33255395849851 0.03230113331523 0.69590379374757 18.998 > 33 38 F 0.83255395849851 0.03230113331523 0.69590379374757 18.998 > 33 39 F 0.33255395849851 0.53230113331523 0.69590379374757 18.998 > 33 40 F 0.83255395849851 0.53230113331523 0.69590379374757 18.998 > 33 41 F 0.41744604150149 0.46769886668477 0.44590379374757 18.998 > 41 42 F 0.91744604150149 0.46769886668477 0.44590379374757 18.998 > 41 43 F 0.41744604150149 0.96769886668477 0.44590379374757 18.998 > 41 44 F 0.91744604150149 0.96769886668477 0.44590379374757 18.998 > 41 45 F 0.41744604150149 0.46769886668477 0.94590379374757 18.998 > 41 46 F 0.91744604150149 0.46769886668477 0.94590379374757 18.998 > 41 47 F 0.41744604150149 0.96769886668477 0.94590379374757 18.998 > 41 48 F 0.91744604150149 0.96769886668477 0.94590379374757 18.998 > 41 49 F 0.08255395849851 0.21769886668477 0.05409620625243 18.998 > 49 50 F 0.58255395849851 0.21769886668477 0.05409620625243 18.998 > 49 51 F 0.08255395849851 0.71769886668477 0.05409620625243 18.998 > 49 52 F 0.58255395849851 0.71769886668477 0.05409620625243 18.998 > 49 53 F 0.08255395849851 0.21769886668477 0.55409620625243 18.998 > 49 54 F 0.58255395849851 0.21769886668477 0.55409620625243 18.998 > 49 55 F 0.08255395849851 0.71769886668477 0.55409620625243 18.998 > 49 56 F 0.58255395849851 0.71769886668477 0.55409620625243 18.998 > 49 57 F 0.16744604150149 0.28230113331523 0.30409620625243 18.998 > 57 58 F 0.66744604150149 0.28230113331523 0.30409620625243 18.998 > 57 59 F 0.16744604150149 0.78230113331523 0.30409620625243 18.998 > 57 60 F 0.66744604150149 0.78230113331523 0.30409620625243 18.998 > 57 61 F 0.16744604150149 0.28230113331523 0.80409620625243 18.998 > 57 62 F 0.66744604150149 0.28230113331523 0.80409620625243 18.998 > 57 63 F 0.16744604150149 0.78230113331523 0.80409620625243 18.998 > 57 64 F 0.66744604150149 0.78230113331523 0.80409620625243 18.998 > 57 65 F 0.16744604150149 0.46769886668477 0.30409620625243 18.998 > 65 66 F 0.66744604150149 0.46769886668477 0.30409620625243 18.998 > 65 67 F 0.16744604150149 0.96769886668477 0.30409620625243 18.998 > 65 68 F 0.66744604150149 0.96769886668477 0.30409620625243 18.998 > 65 69 F 0.16744604150149 0.46769886668477 0.80409620625243 18.998 > 65 70 F 0.66744604150149 0.46769886668477 0.80409620625243 18.998 > 65 71 F 0.16744604150149 0.96769886668477 0.80409620625243 18.998 > 65 72 F 0.66744604150149 0.96769886668477 0.80409620625243 18.998 > 65 73 F 0.08255395849851 0.03230113331523 0.05409620625243 18.998 > 73 74 F 0.58255395849851 0.03230113331523 0.05409620625243 18.998 > 73 75 F 0.08255395849851 0.53230113331523 0.05409620625243 18.998 > 73 76 F 0.58255395849851 0.53230113331523 0.05409620625243 18.998 > 73 77 F 0.08255395849851 0.03230113331523 0.55409620625243 18.998 > 73 78 F 0.58255395849851 0.03230113331523 0.55409620625243 18.998 > 73 79 F 0.08255395849851 0.53230113331523 0.55409620625243 18.998 > 73 80 F 0.58255395849851 0.53230113331523 0.55409620625243 18.998 > 73 81 F 0.41744604150149 0.28230113331523 0.44590379374757 18.998 > 81 82 F 0.91744604150149 0.28230113331523 0.44590379374757 18.998 > 81 83 F 0.41744604150149 0.78230113331523 0.44590379374757 18.998 > 81 84 F 0.91744604150149 0.78230113331523 0.44590379374757 18.998 > 81 85 F 0.41744604150149 0.28230113331523 0.94590379374757 18.998 > 81 86 F 0.91744604150149 0.28230113331523 0.94590379374757 18.998 > 81 87 F 0.41744604150149 0.78230113331523 0.94590379374757 18.998 > 81 88 F 0.91744604150149 0.78230113331523 0.94590379374757 18.998 > 81 89 F 0.33255395849851 0.21769886668477 0.19590379374757 18.998 > 89 90 F 0.83255395849851 0.21769886668477 0.19590379374757 18.998 > 89 91 F 0.33255395849851 0.71769886668477 0.19590379374757 18.998 > 89 92 F 0.83255395849851 0.71769886668477 0.19590379374757 18.998 > 89 93 F 0.33255395849851 0.21769886668477 0.69590379374757 18.998 > 89 94 F 0.83255395849851 0.21769886668477 0.69590379374757 18.998 > 89 95 F 0.33255395849851 0.71769886668477 0.69590379374757 18.998 > 89 96 F 0.83255395849851 0.71769886668477 0.69590379374757 18.998 > 89 97 Sm 0.06577400278496 0.37500000000000 0.46694918446727 150.360 > 97 98 Sm 0.56577400278496 0.37500000000000 0.46694918446727 150.360 > 97 99 Sm 0.06577400278496 0.87500000000000 0.46694918446727 150.360 > 97 100 Sm 0.56577400278496 0.87500000000000 0.46694918446727 150.360 > 97 101 Sm 0.06577400278496 0.37500000000000 0.96694918446727 150.360 > 97 102 Sm 0.56577400278496 0.37500000000000 0.96694918446727 150.360 > 97 103 Sm 0.06577400278496 0.87500000000000 0.96694918446727 150.360 > 97 104 Sm 0.56577400278496 0.87500000000000 0.96694918446727 150.360 > 97 105 Sm 0.18422599721504 0.12500000000000 0.21694918446727 150.360 > 105 106 Sm 0.68422599721504 0.12500000000000 0.21694918446727 150.360 > 105 107 Sm 0.18422599721504 0.62500000000000 0.21694918446727 150.360 > 105 108 Sm 0.68422599721504 0.62500000000000 0.21694918446727 150.360 > 105 109 Sm 0.18422599721504 0.12500000000000 0.71694918446727 150.360 > 105 110 Sm 0.68422599721504 0.12500000000000 0.71694918446727 150.360 > 105 111 Sm 0.18422599721504 0.62500000000000 0.71694918446727 150.360 > 105 112 Sm 0.68422599721504 0.62500000000000 0.71694918446727 150.360 > 105 113 Sm 0.31577400278496 0.37500000000000 0.28305081553273 150.360 > 113 114 Sm 0.81577400278496 0.37500000000000 0.28305081553273 150.360 > 113 115 Sm 0.31577400278496 0.87500000000000 0.28305081553273 150.360 > 113 116 Sm 0.81577400278496 0.87500000000000 0.28305081553273 150.360 > 113 117 Sm 0.31577400278496 0.37500000000000 0.78305081553273 150.360 > 113 118 Sm 0.81577400278496 0.37500000000000 0.78305081553273 150.360 > 113 119 Sm 0.31577400278496 0.87500000000000 0.78305081553273 150.360 > 113 120 Sm 0.81577400278496 0.87500000000000 0.78305081553273 150.360 > 113 121 Sm 0.43422599721504 0.12500000000000 0.03305081553273 150.360 > 121 122 Sm 0.93422599721504 0.12500000000000 0.03305081553273 150.360 > 121 123 Sm 0.43422599721504 0.62500000000000 0.03305081553273 150.360 > 121 124 Sm 0.93422599721504 0.62500000000000 0.03305081553273 150.360 > 121 125 Sm 0.43422599721504 0.12500000000000 0.53305081553273 150.360 > 121 126 Sm 0.93422599721504 0.12500000000000 0.53305081553273 150.360 > 121 127 Sm 0.43422599721504 0.62500000000000 0.53305081553273 150.360 > 121 128 Sm 0.93422599721504 0.62500000000000 0.53305081553273 150.360 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8441128 0.0000000 0.0000000 0.0000000 2.7949209 0.0000000 0.0000000 0.0000000 2.7179944 -------------------------- Born effective charges -------------------------- 1 F -1.4536035 0.0000000 -0.1788457 0.0000000 -0.7137801 0.0000000 -0.2027051 0.0000000 -1.7178213 2 F -1.4536035 0.0000000 0.1788457 0.0000000 -0.7137801 0.0000000 0.2027051 0.0000000 -1.7178213 3 F -1.4536035 0.0000000 0.1788457 0.0000000 -0.7137801 0.0000000 0.2027051 0.0000000 -1.7178213 4 F -1.4536035 0.0000000 -0.1788457 0.0000000 -0.7137801 0.0000000 -0.2027051 0.0000000 -1.7178213 5 F -1.2991469 0.0187178 0.2467822 0.0122398 -1.6300161 0.3547602 0.2647933 0.3609487 -1.0059948 6 F -1.2991469 0.0187178 -0.2467822 0.0122398 -1.6300161 -0.3547602 -0.2647933 -0.3609487 -1.0059948 7 F -1.2991469 -0.0187178 -0.2467822 -0.0122398 -1.6300161 0.3547602 -0.2647933 0.3609487 -1.0059948 8 F -1.2991469 -0.0187178 0.2467822 -0.0122398 -1.6300161 -0.3547602 0.2647933 -0.3609487 -1.0059948 9 F -1.2991469 0.0187178 0.2467822 0.0122398 -1.6300161 0.3547602 0.2647933 0.3609487 -1.0059948 10 F -1.2991469 0.0187178 -0.2467822 0.0122398 -1.6300161 -0.3547602 -0.2647933 -0.3609487 -1.0059948 11 F -1.2991469 -0.0187178 -0.2467822 -0.0122398 -1.6300161 0.3547602 -0.2647933 0.3609487 -1.0059948 12 F -1.2991469 -0.0187178 0.2467822 -0.0122398 -1.6300161 -0.3547602 0.2647933 -0.3609487 -1.0059948 13 Sm 4.0518974 0.0000000 -0.2643026 0.0000000 3.9738123 0.0000000 -0.1748222 0.0000000 3.7298108 14 Sm 4.0518974 0.0000000 0.2643026 0.0000000 3.9738123 0.0000000 0.1748222 0.0000000 3.7298108 15 Sm 4.0518974 0.0000000 0.2643026 0.0000000 3.9738123 0.0000000 0.1748222 0.0000000 3.7298108 16 Sm 4.0518974 0.0000000 -0.2643026 0.0000000 3.9738123 0.0000000 -0.1748222 0.0000000 3.7298108 ---------------------------------------------------------------------------- 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[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000005 (yzy) 0.00000005 (yzy) 0.00000005 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (zx) 0.00000003 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:20:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:20:51]------------------------- 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: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.599415590000002 0.000000000000000 0.000000000000000 b 0.000000000000000 6.992124700000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.364373340000000 Atomic positions (fractional): 1 F 0.48127740411264 0.75000000000000 0.07557720261375 18.998 2 F 0.01872259588736 0.25000000000000 0.57557720261375 18.998 3 F 0.98127740411264 0.75000000000000 0.42442279738625 18.998 4 F 0.51872259588736 0.25000000000000 0.92442279738625 18.998 5 F 0.66510791699702 0.06460226663045 0.39180758749513 18.998 6 F 0.83489208300298 0.93539773336955 0.89180758749513 18.998 7 F 0.16510791699703 0.43539773336955 0.10819241250487 18.998 8 F 0.33489208300298 0.56460226663045 0.60819241250487 18.998 9 F 0.33489208300298 0.93539773336955 0.60819241250487 18.998 10 F 0.16510791699703 0.06460226663045 0.10819241250487 18.998 11 F 0.83489208300298 0.56460226663045 0.89180758749513 18.998 12 F 0.66510791699702 0.43539773336955 0.39180758749513 18.998 13 Sm 0.13154800556993 0.75000000000000 0.93389836893454 150.360 14 Sm 0.36845199443007 0.25000000000000 0.43389836893454 150.360 15 Sm 0.63154800556993 0.75000000000000 0.56610163106546 150.360 16 Sm 0.86845199443007 0.25000000000000 0.06610163106546 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.198831180000004 0.000000000000000 0.000000000000000 b 0.000000000000000 13.984249399999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.728746680000000 Atomic positions (fractional): 1 F 0.24063870205632 0.37500000000000 0.03778860130687 18.998 > 1 2 F 0.74063870205632 0.37500000000000 0.03778860130687 18.998 > 1 3 F 0.24063870205632 0.87500000000000 0.03778860130687 18.998 > 1 4 F 0.74063870205632 0.87500000000000 0.03778860130687 18.998 > 1 5 F 0.24063870205632 0.37500000000000 0.53778860130687 18.998 > 1 6 F 0.74063870205632 0.37500000000000 0.53778860130687 18.998 > 1 7 F 0.24063870205632 0.87500000000000 0.53778860130687 18.998 > 1 8 F 0.74063870205632 0.87500000000000 0.53778860130687 18.998 > 1 9 F 0.00936129794368 0.12500000000000 0.28778860130687 18.998 > 9 10 F 0.50936129794368 0.12500000000000 0.28778860130687 18.998 > 9 11 F 0.00936129794368 0.62500000000000 0.28778860130687 18.998 > 9 12 F 0.50936129794368 0.62500000000000 0.28778860130687 18.998 > 9 13 F 0.00936129794368 0.12500000000000 0.78778860130687 18.998 > 9 14 F 0.50936129794368 0.12500000000000 0.78778860130687 18.998 > 9 15 F 0.00936129794368 0.62500000000000 0.78778860130687 18.998 > 9 16 F 0.50936129794368 0.62500000000000 0.78778860130687 18.998 > 9 17 F 0.49063870205632 0.37500000000000 0.21221139869313 18.998 > 17 18 F 0.99063870205632 0.37500000000000 0.21221139869313 18.998 > 17 19 F 0.49063870205632 0.87500000000000 0.21221139869313 18.998 > 17 20 F 0.99063870205632 0.87500000000000 0.21221139869313 18.998 > 17 21 F 0.49063870205632 0.37500000000000 0.71221139869313 18.998 > 17 22 F 0.99063870205632 0.37500000000000 0.71221139869313 18.998 > 17 23 F 0.49063870205632 0.87500000000000 0.71221139869313 18.998 > 17 24 F 0.99063870205632 0.87500000000000 0.71221139869313 18.998 > 17 25 F 0.25936129794368 0.12500000000000 0.46221139869313 18.998 > 25 26 F 0.75936129794368 0.12500000000000 0.46221139869313 18.998 > 25 27 F 0.25936129794368 0.62500000000000 0.46221139869313 18.998 > 25 28 F 0.75936129794368 0.62500000000000 0.46221139869313 18.998 > 25 29 F 0.25936129794368 0.12500000000000 0.96221139869313 18.998 > 25 30 F 0.75936129794368 0.12500000000000 0.96221139869313 18.998 > 25 31 F 0.25936129794368 0.62500000000000 0.96221139869313 18.998 > 25 32 F 0.75936129794368 0.62500000000000 0.96221139869313 18.998 > 25 33 F 0.33255395849851 0.03230113331523 0.19590379374757 18.998 > 33 34 F 0.83255395849851 0.03230113331523 0.19590379374757 18.998 > 33 35 F 0.33255395849851 0.53230113331523 0.19590379374757 18.998 > 33 36 F 0.83255395849851 0.53230113331523 0.19590379374757 18.998 > 33 37 F 0.33255395849851 0.03230113331523 0.69590379374757 18.998 > 33 38 F 0.83255395849851 0.03230113331523 0.69590379374757 18.998 > 33 39 F 0.33255395849851 0.53230113331523 0.69590379374757 18.998 > 33 40 F 0.83255395849851 0.53230113331523 0.69590379374757 18.998 > 33 41 F 0.41744604150149 0.46769886668477 0.44590379374757 18.998 > 41 42 F 0.91744604150149 0.46769886668477 0.44590379374757 18.998 > 41 43 F 0.41744604150149 0.96769886668477 0.44590379374757 18.998 > 41 44 F 0.91744604150149 0.96769886668477 0.44590379374757 18.998 > 41 45 F 0.41744604150149 0.46769886668477 0.94590379374757 18.998 > 41 46 F 0.91744604150149 0.46769886668477 0.94590379374757 18.998 > 41 47 F 0.41744604150149 0.96769886668477 0.94590379374757 18.998 > 41 48 F 0.91744604150149 0.96769886668477 0.94590379374757 18.998 > 41 49 F 0.08255395849851 0.21769886668477 0.05409620625243 18.998 > 49 50 F 0.58255395849851 0.21769886668477 0.05409620625243 18.998 > 49 51 F 0.08255395849851 0.71769886668477 0.05409620625243 18.998 > 49 52 F 0.58255395849851 0.71769886668477 0.05409620625243 18.998 > 49 53 F 0.08255395849851 0.21769886668477 0.55409620625243 18.998 > 49 54 F 0.58255395849851 0.21769886668477 0.55409620625243 18.998 > 49 55 F 0.08255395849851 0.71769886668477 0.55409620625243 18.998 > 49 56 F 0.58255395849851 0.71769886668477 0.55409620625243 18.998 > 49 57 F 0.16744604150149 0.28230113331523 0.30409620625243 18.998 > 57 58 F 0.66744604150149 0.28230113331523 0.30409620625243 18.998 > 57 59 F 0.16744604150149 0.78230113331523 0.30409620625243 18.998 > 57 60 F 0.66744604150149 0.78230113331523 0.30409620625243 18.998 > 57 61 F 0.16744604150149 0.28230113331523 0.80409620625243 18.998 > 57 62 F 0.66744604150149 0.28230113331523 0.80409620625243 18.998 > 57 63 F 0.16744604150149 0.78230113331523 0.80409620625243 18.998 > 57 64 F 0.66744604150149 0.78230113331523 0.80409620625243 18.998 > 57 65 F 0.16744604150149 0.46769886668477 0.30409620625243 18.998 > 65 66 F 0.66744604150149 0.46769886668477 0.30409620625243 18.998 > 65 67 F 0.16744604150149 0.96769886668477 0.30409620625243 18.998 > 65 68 F 0.66744604150149 0.96769886668477 0.30409620625243 18.998 > 65 69 F 0.16744604150149 0.46769886668477 0.80409620625243 18.998 > 65 70 F 0.66744604150149 0.46769886668477 0.80409620625243 18.998 > 65 71 F 0.16744604150149 0.96769886668477 0.80409620625243 18.998 > 65 72 F 0.66744604150149 0.96769886668477 0.80409620625243 18.998 > 65 73 F 0.08255395849851 0.03230113331523 0.05409620625243 18.998 > 73 74 F 0.58255395849851 0.03230113331523 0.05409620625243 18.998 > 73 75 F 0.08255395849851 0.53230113331523 0.05409620625243 18.998 > 73 76 F 0.58255395849851 0.53230113331523 0.05409620625243 18.998 > 73 77 F 0.08255395849851 0.03230113331523 0.55409620625243 18.998 > 73 78 F 0.58255395849851 0.03230113331523 0.55409620625243 18.998 > 73 79 F 0.08255395849851 0.53230113331523 0.55409620625243 18.998 > 73 80 F 0.58255395849851 0.53230113331523 0.55409620625243 18.998 > 73 81 F 0.41744604150149 0.28230113331523 0.44590379374757 18.998 > 81 82 F 0.91744604150149 0.28230113331523 0.44590379374757 18.998 > 81 83 F 0.41744604150149 0.78230113331523 0.44590379374757 18.998 > 81 84 F 0.91744604150149 0.78230113331523 0.44590379374757 18.998 > 81 85 F 0.41744604150149 0.28230113331523 0.94590379374757 18.998 > 81 86 F 0.91744604150149 0.28230113331523 0.94590379374757 18.998 > 81 87 F 0.41744604150149 0.78230113331523 0.94590379374757 18.998 > 81 88 F 0.91744604150149 0.78230113331523 0.94590379374757 18.998 > 81 89 F 0.33255395849851 0.21769886668477 0.19590379374757 18.998 > 89 90 F 0.83255395849851 0.21769886668477 0.19590379374757 18.998 > 89 91 F 0.33255395849851 0.71769886668477 0.19590379374757 18.998 > 89 92 F 0.83255395849851 0.71769886668477 0.19590379374757 18.998 > 89 93 F 0.33255395849851 0.21769886668477 0.69590379374757 18.998 > 89 94 F 0.83255395849851 0.21769886668477 0.69590379374757 18.998 > 89 95 F 0.33255395849851 0.71769886668477 0.69590379374757 18.998 > 89 96 F 0.83255395849851 0.71769886668477 0.69590379374757 18.998 > 89 97 Sm 0.06577400278496 0.37500000000000 0.46694918446727 150.360 > 97 98 Sm 0.56577400278496 0.37500000000000 0.46694918446727 150.360 > 97 99 Sm 0.06577400278496 0.87500000000000 0.46694918446727 150.360 > 97 100 Sm 0.56577400278496 0.87500000000000 0.46694918446727 150.360 > 97 101 Sm 0.06577400278496 0.37500000000000 0.96694918446727 150.360 > 97 102 Sm 0.56577400278496 0.37500000000000 0.96694918446727 150.360 > 97 103 Sm 0.06577400278496 0.87500000000000 0.96694918446727 150.360 > 97 104 Sm 0.56577400278496 0.87500000000000 0.96694918446727 150.360 > 97 105 Sm 0.18422599721504 0.12500000000000 0.21694918446727 150.360 > 105 106 Sm 0.68422599721504 0.12500000000000 0.21694918446727 150.360 > 105 107 Sm 0.18422599721504 0.62500000000000 0.21694918446727 150.360 > 105 108 Sm 0.68422599721504 0.62500000000000 0.21694918446727 150.360 > 105 109 Sm 0.18422599721504 0.12500000000000 0.71694918446727 150.360 > 105 110 Sm 0.68422599721504 0.12500000000000 0.71694918446727 150.360 > 105 111 Sm 0.18422599721504 0.62500000000000 0.71694918446727 150.360 > 105 112 Sm 0.68422599721504 0.62500000000000 0.71694918446727 150.360 > 105 113 Sm 0.31577400278496 0.37500000000000 0.28305081553273 150.360 > 113 114 Sm 0.81577400278496 0.37500000000000 0.28305081553273 150.360 > 113 115 Sm 0.31577400278496 0.87500000000000 0.28305081553273 150.360 > 113 116 Sm 0.81577400278496 0.87500000000000 0.28305081553273 150.360 > 113 117 Sm 0.31577400278496 0.37500000000000 0.78305081553273 150.360 > 113 118 Sm 0.81577400278496 0.37500000000000 0.78305081553273 150.360 > 113 119 Sm 0.31577400278496 0.87500000000000 0.78305081553273 150.360 > 113 120 Sm 0.81577400278496 0.87500000000000 0.78305081553273 150.360 > 113 121 Sm 0.43422599721504 0.12500000000000 0.03305081553273 150.360 > 121 122 Sm 0.93422599721504 0.12500000000000 0.03305081553273 150.360 > 121 123 Sm 0.43422599721504 0.62500000000000 0.03305081553273 150.360 > 121 124 Sm 0.93422599721504 0.62500000000000 0.03305081553273 150.360 > 121 125 Sm 0.43422599721504 0.12500000000000 0.53305081553273 150.360 > 121 126 Sm 0.93422599721504 0.12500000000000 0.53305081553273 150.360 > 121 127 Sm 0.43422599721504 0.62500000000000 0.53305081553273 150.360 > 121 128 Sm 0.93422599721504 0.62500000000000 0.53305081553273 150.360 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8441128 0.0000000 0.0000000 0.0000000 2.7949209 0.0000000 0.0000000 0.0000000 2.7179944 -------------------------- Born effective charges -------------------------- 1 F -1.4536035 0.0000000 -0.1788457 0.0000000 -0.7137801 0.0000000 -0.2027051 0.0000000 -1.7178213 2 F -1.4536035 0.0000000 0.1788457 0.0000000 -0.7137801 0.0000000 0.2027051 0.0000000 -1.7178213 3 F -1.4536035 0.0000000 0.1788457 0.0000000 -0.7137801 0.0000000 0.2027051 0.0000000 -1.7178213 4 F -1.4536035 0.0000000 -0.1788457 0.0000000 -0.7137801 0.0000000 -0.2027051 0.0000000 -1.7178213 5 F -1.2991469 0.0187178 0.2467822 0.0122398 -1.6300161 0.3547602 0.2647933 0.3609487 -1.0059948 6 F -1.2991469 0.0187178 -0.2467822 0.0122398 -1.6300161 -0.3547602 -0.2647933 -0.3609487 -1.0059948 7 F -1.2991469 -0.0187178 -0.2467822 -0.0122398 -1.6300161 0.3547602 -0.2647933 0.3609487 -1.0059948 8 F -1.2991469 -0.0187178 0.2467822 -0.0122398 -1.6300161 -0.3547602 0.2647933 -0.3609487 -1.0059948 9 F -1.2991469 0.0187178 0.2467822 0.0122398 -1.6300161 0.3547602 0.2647933 0.3609487 -1.0059948 10 F -1.2991469 0.0187178 -0.2467822 0.0122398 -1.6300161 -0.3547602 -0.2647933 -0.3609487 -1.0059948 11 F -1.2991469 -0.0187178 -0.2467822 -0.0122398 -1.6300161 0.3547602 -0.2647933 0.3609487 -1.0059948 12 F -1.2991469 -0.0187178 0.2467822 -0.0122398 -1.6300161 -0.3547602 0.2647933 -0.3609487 -1.0059948 13 Sm 4.0518974 0.0000000 -0.2643026 0.0000000 3.9738123 0.0000000 -0.1748222 0.0000000 3.7298108 14 Sm 4.0518974 0.0000000 0.2643026 0.0000000 3.9738123 0.0000000 0.1748222 0.0000000 3.7298108 15 Sm 4.0518974 0.0000000 0.2643026 0.0000000 3.9738123 0.0000000 0.1748222 0.0000000 3.7298108 16 Sm 4.0518974 0.0000000 -0.2643026 0.0000000 3.9738123 0.0000000 -0.1748222 0.0000000 3.7298108 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000005 (yzy) 0.00000005 (yzy) 0.00000005 (yyz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 11 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.71, Number of G-points: 307, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 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 2.683 ( 0.000 0.000 0.000) 0.000 2.895 ( 0.000 0.000 0.000) 0.000 3.363 ( 0.000 0.000 0.000) 0.000 3.528 ( 0.000 0.000 0.000) 0.000 3.737 ( 0.000 0.000 0.000) 0.000 3.858 ( 0.000 0.000 0.000) 0.000 3.882 ( 0.000 0.000 0.000) 0.000 4.286 ( 0.000 0.000 0.000) 0.000 4.617 ( 0.000 0.000 0.000) 0.000 4.936 ( 0.000 0.000 0.000) 0.000 5.177 ( 0.000 0.000 0.000) 0.000 5.524 ( 0.000 0.000 0.000) 0.000 5.797 ( 0.000 0.000 0.000) 0.000 5.968 ( 0.000 0.000 0.000) 0.000 6.236 ( 0.000 0.000 0.000) 0.000 6.376 ( 0.000 0.000 0.000) 0.000 6.377 ( 0.000 0.000 0.000) 0.000 6.817 ( 0.000 0.000 0.000) 0.000 6.875 ( 0.000 0.000 0.000) 0.000 7.318 ( 0.000 0.000 0.000) 0.000 7.377 ( 0.000 0.000 0.000) 0.000 7.417 ( 0.000 0.000 0.000) 0.000 7.610 ( 0.000 0.000 0.000) 0.000 8.017 ( 0.000 0.000 0.000) 0.000 8.034 ( 0.000 0.000 0.000) 0.000 8.445 ( 0.000 0.000 0.000) 0.000 8.965 ( 0.000 0.000 0.000) 0.000 9.227 ( 0.000 0.000 0.000) 0.000 9.589 ( 0.000 0.000 0.000) 0.000 9.701 ( 0.000 0.000 0.000) 0.000 9.767 ( 0.000 0.000 0.000) 0.000 9.776 ( 0.000 0.000 0.000) 0.000 9.826 ( 0.000 0.000 0.000) 0.000 9.852 ( 0.000 0.000 0.000) 0.000 10.253 ( 0.000 0.000 0.000) 0.000 10.473 ( 0.000 0.000 0.000) 0.000 10.632 ( 0.000 0.000 0.000) 0.000 10.989 ( 0.000 0.000 0.000) 0.000 11.251 ( 0.000 0.000 0.000) 0.000 11.572 ( 0.000 0.000 0.000) 0.000 11.709 ( 0.000 0.000 0.000) 0.000 12.540 ( 0.000 0.000 0.000) 0.000 12.650 ( 0.000 0.000 0.000) 0.000 14.262 ( 0.000 0.000 0.000) 0.000 14.743 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 28.550 0.000 0.000) 28.550 0.571 ( 29.965 0.000 0.000) 29.965 1.054 ( 54.643 0.000 0.000) 54.643 2.768 ( 7.622 0.000 0.000) 7.622 2.897 ( 0.265 0.000 0.000) 0.265 3.334 ( -3.944 0.000 0.000) 3.944 3.530 ( -20.180 0.000 0.000) 20.180 3.534 ( 0.602 0.000 0.000) 0.602 3.831 ( -3.307 0.000 0.000) 3.307 3.834 ( -0.161 0.000 0.000) 0.161 4.318 ( 3.075 0.000 0.000) 3.075 4.669 ( 4.573 0.000 0.000) 4.573 5.063 ( 5.537 0.000 0.000) 5.537 5.272 ( 14.091 0.000 0.000) 14.091 5.482 ( -4.210 0.000 0.000) 4.210 5.802 ( 0.514 0.000 0.000) 0.514 5.959 ( -0.869 0.000 0.000) 0.869 6.078 ( -16.147 0.000 0.000) 16.147 6.283 ( -10.304 0.000 0.000) 10.304 6.377 ( 0.422 0.000 0.000) 0.422 6.857 ( -2.066 0.000 0.000) 2.066 7.071 ( -12.354 0.000 0.000) 12.354 7.473 ( 5.769 0.000 0.000) 5.769 7.600 ( 14.180 0.000 0.000) 14.180 7.651 ( 4.241 0.000 0.000) 4.241 8.054 ( 3.820 0.000 0.000) 3.820 8.070 ( 3.669 0.000 0.000) 3.669 8.423 ( -2.376 0.000 0.000) 2.376 8.782 ( -4.411 0.000 0.000) 4.411 8.916 ( -4.578 0.000 0.000) 4.578 9.556 ( -3.333 0.000 0.000) 3.333 9.678 ( -2.373 0.000 0.000) 2.373 9.735 ( -3.348 0.000 0.000) 3.348 9.795 ( -3.156 0.000 0.000) 3.156 9.853 ( 0.211 0.000 0.000) 0.211 9.856 ( 7.653 0.000 0.000) 7.653 10.256 ( 0.460 0.000 0.000) 0.460 10.404 ( -6.710 0.000 0.000) 6.710 10.599 ( -2.936 0.000 0.000) 2.936 10.622 ( -1.100 0.000 0.000) 1.100 11.296 ( 4.296 0.000 0.000) 4.296 11.651 ( 7.852 0.000 0.000) 7.852 11.701 ( -0.804 0.000 0.000) 0.804 12.576 ( 3.680 0.000 0.000) 3.680 12.629 ( -2.287 0.000 0.000) 2.287 13.385 ( -3.361 0.000 0.000) 3.361 14.549 ( 1.928 0.000 0.000) 1.928 14.744 ( 0.112 0.000 0.000) 0.112 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 27.803 0.000 0.000) 27.803 1.131 ( 29.008 0.000 0.000) 29.008 2.033 ( 46.382 0.000 0.000) 46.382 2.902 ( 5.914 0.000 0.000) 5.914 2.908 ( 0.972 0.000 0.000) 0.972 3.082 ( -25.457 0.000 0.000) 25.457 3.190 ( -10.078 0.000 0.000) 10.078 3.551 ( 1.257 0.000 0.000) 1.257 3.764 ( -3.817 0.000 0.000) 3.817 3.971 ( 15.900 0.000 0.000) 15.900 4.384 ( 3.163 0.000 0.000) 3.163 4.757 ( 4.156 0.000 0.000) 4.156 5.098 ( 0.485 0.000 0.000) 0.485 5.379 ( -6.193 0.000 0.000) 6.193 5.645 ( 21.013 0.000 0.000) 21.013 5.663 ( -26.504 0.000 0.000) 26.504 5.815 ( 0.776 0.000 0.000) 0.776 5.943 ( -0.181 0.000 0.000) 0.181 5.984 ( -20.749 0.000 0.000) 20.749 6.398 ( 1.752 0.000 0.000) 1.752 6.788 ( -5.419 0.000 0.000) 5.419 6.850 ( -10.808 0.000 0.000) 10.808 7.624 ( 9.778 0.000 0.000) 9.778 7.766 ( 7.725 0.000 0.000) 7.725 7.867 ( 13.624 0.000 0.000) 13.624 8.150 ( 5.810 0.000 0.000) 5.810 8.163 ( 5.739 0.000 0.000) 5.739 8.353 ( -4.983 0.000 0.000) 4.983 8.666 ( -7.369 0.000 0.000) 7.369 8.814 ( -5.923 0.000 0.000) 5.923 9.480 ( -3.990 0.000 0.000) 3.990 9.619 ( -3.515 0.000 0.000) 3.515 9.648 ( -5.527 0.000 0.000) 5.527 9.714 ( -5.145 0.000 0.000) 5.145 9.862 ( 0.820 0.000 0.000) 0.820 10.028 ( 9.602 0.000 0.000) 9.602 10.247 ( -9.123 0.000 0.000) 9.123 10.277 ( 1.888 0.000 0.000) 1.888 10.524 ( -4.766 0.000 0.000) 4.766 10.588 ( -2.591 0.000 0.000) 2.591 11.392 ( 5.477 0.000 0.000) 5.477 11.678 ( -1.684 0.000 0.000) 1.684 11.844 ( 11.843 0.000 0.000) 11.843 12.563 ( -4.703 0.000 0.000) 4.703 12.674 ( 6.585 0.000 0.000) 6.585 13.293 ( -6.295 0.000 0.000) 6.295 14.598 ( 3.043 0.000 0.000) 3.043 14.744 ( -0.153 0.000 0.000) 0.153 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 26.880 0.000 0.000) 26.880 1.665 ( 27.133 0.000 0.000) 27.133 2.477 ( -6.315 0.000 0.000) 6.315 2.592 ( -26.005 0.000 0.000) 26.005 2.935 ( 1.926 0.000 0.000) 1.926 3.043 ( -4.585 0.000 0.000) 4.585 3.240 ( 36.472 0.000 0.000) 36.472 3.582 ( 2.024 0.000 0.000) 2.024 3.691 ( -3.665 0.000 0.000) 3.665 4.378 ( -7.128 0.000 0.000) 7.128 4.397 ( 27.091 0.000 0.000) 27.091 4.819 ( 2.645 0.000 0.000) 2.645 5.115 ( 1.632 0.000 0.000) 1.632 5.141 ( -25.341 0.000 0.000) 25.341 5.262 ( -5.857 0.000 0.000) 5.857 5.521 ( -27.356 0.000 0.000) 27.356 5.832 ( 1.077 0.000 0.000) 1.077 5.870 ( 0.694 0.000 0.000) 0.694 6.093 ( 17.485 0.000 0.000) 17.485 6.445 ( 3.387 0.000 0.000) 3.387 6.644 ( -9.905 0.000 0.000) 9.905 6.666 ( -8.486 0.000 0.000) 8.486 7.828 ( 11.363 0.000 0.000) 11.363 7.934 ( 9.530 0.000 0.000) 9.530 8.087 ( 8.068 0.000 0.000) 8.068 8.208 ( -5.585 0.000 0.000) 5.585 8.267 ( 4.615 0.000 0.000) 4.615 8.276 ( 2.154 0.000 0.000) 2.154 8.533 ( -5.158 0.000 0.000) 5.158 8.689 ( -7.387 0.000 0.000) 7.387 9.429 ( -0.953 0.000 0.000) 0.953 9.539 ( -5.610 0.000 0.000) 5.610 9.560 ( -2.266 0.000 0.000) 2.266 9.615 ( -4.832 0.000 0.000) 4.832 9.890 ( 2.368 0.000 0.000) 2.368 10.082 ( -7.894 0.000 0.000) 7.894 10.197 ( 7.848 0.000 0.000) 7.848 10.332 ( 4.091 0.000 0.000) 4.091 10.426 ( -5.363 0.000 0.000) 5.363 10.522 ( -4.342 0.000 0.000) 4.342 11.492 ( 4.909 0.000 0.000) 4.909 11.637 ( -2.691 0.000 0.000) 2.691 12.075 ( 12.004 0.000 0.000) 12.004 12.449 ( -7.305 0.000 0.000) 7.305 12.818 ( 8.409 0.000 0.000) 8.409 13.152 ( -8.324 0.000 0.000) 8.324 14.657 ( 3.005 0.000 0.000) 3.005 14.735 ( -0.959 0.000 0.000) 0.959 ======================= Grid point 4 (5/120) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( -26.207 0.000 0.000) 26.207 2.098 ( 26.207 0.000 0.000) 26.207 2.147 ( -23.215 0.000 0.000) 23.215 2.147 ( 23.215 0.000 0.000) 23.215 2.979 ( -2.703 0.000 0.000) 2.703 2.979 ( 2.703 0.000 0.000) 2.703 3.629 ( -2.901 0.000 0.000) 2.901 3.629 ( 2.901 0.000 0.000) 2.901 3.971 ( -34.644 0.000 0.000) 34.644 3.971 ( 34.644 0.000 0.000) 34.644 4.839 ( -9.775 0.000 0.000) 9.775 4.839 ( 9.775 0.000 0.000) 9.775 4.987 ( -25.851 0.000 0.000) 25.851 4.987 ( 25.851 0.000 0.000) 25.851 5.167 ( -3.937 0.000 0.000) 3.937 5.167 ( 3.937 0.000 0.000) 3.937 5.855 ( -1.242 0.000 0.000) 1.242 5.855 ( 1.242 0.000 0.000) 1.242 6.410 ( -14.814 0.000 0.000) 14.814 6.410 ( 14.814 0.000 0.000) 14.814 6.531 ( -5.773 0.000 0.000) 5.773 6.531 ( 5.773 0.000 0.000) 5.773 8.039 ( -10.548 0.000 0.000) 10.548 8.039 ( 10.548 0.000 0.000) 10.548 8.099 ( -6.374 0.000 0.000) 6.374 8.099 ( 6.374 0.000 0.000) 6.374 8.315 ( -0.032 0.000 0.000) 0.032 8.315 ( 0.032 0.000 0.000) 0.032 8.548 ( -6.308 0.000 0.000) 6.308 8.548 ( 6.308 0.000 0.000) 6.308 9.451 ( -3.204 0.000 0.000) 3.204 9.451 ( 3.204 0.000 0.000) 3.204 9.550 ( -1.546 0.000 0.000) 1.546 9.550 ( 1.546 0.000 0.000) 1.546 9.959 ( -4.989 0.000 0.000) 4.989 9.959 ( 4.989 0.000 0.000) 4.989 10.322 ( -5.740 0.000 0.000) 5.740 10.322 ( 5.740 0.000 0.000) 5.740 10.427 ( -5.453 0.000 0.000) 5.453 10.427 ( 5.453 0.000 0.000) 5.453 11.575 ( -3.817 0.000 0.000) 3.817 11.575 ( 3.817 0.000 0.000) 3.817 12.285 ( -9.983 0.000 0.000) 9.983 12.285 ( 9.983 0.000 0.000) 9.983 12.986 ( -9.050 0.000 0.000) 9.050 12.986 ( 9.050 0.000 0.000) 9.050 14.706 ( -2.098 0.000 0.000) 2.098 14.706 ( 2.098 0.000 0.000) 2.098 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 0.000 27.494 0.000) 27.494 0.575 ( 0.000 27.953 0.000) 27.953 1.200 ( 0.000 57.450 0.000) 57.450 2.643 ( 0.000 -4.422 0.000) 4.422 2.807 ( 0.000 -8.446 0.000) 8.446 3.351 ( 0.000 -0.554 0.000) 0.554 3.593 ( 0.000 5.915 0.000) 5.915 3.710 ( 0.000 -2.505 0.000) 2.505 3.825 ( 0.000 -3.210 0.000) 3.210 3.851 ( 0.000 -3.042 0.000) 3.042 4.304 ( 0.000 1.809 0.000) 1.809 4.597 ( 0.000 -1.956 0.000) 1.956 4.934 ( 0.000 0.038 0.000) 0.038 5.037 ( 0.000 -11.951 0.000) 11.951 5.417 ( 0.000 -10.444 0.000) 10.444 5.784 ( 0.000 -13.463 0.000) 13.463 6.312 ( 0.000 6.129 0.000) 6.129 6.432 ( 0.000 4.982 0.000) 4.982 6.536 ( 0.000 10.891 0.000) 10.891 6.815 ( 0.000 -0.197 0.000) 0.197 6.854 ( 0.000 1.050 0.000) 1.050 6.974 ( 0.000 1.593 0.000) 1.593 7.223 ( 0.000 -12.021 0.000) 12.021 7.296 ( 0.000 -1.885 0.000) 1.885 7.397 ( 0.000 1.766 0.000) 1.766 7.787 ( 0.000 10.507 0.000) 10.507 7.947 ( 0.000 -6.481 0.000) 6.481 8.043 ( 0.000 1.002 0.000) 1.002 9.018 ( 0.000 4.772 0.000) 4.772 9.050 ( 0.000 -7.604 0.000) 7.604 9.172 ( 0.000 -4.802 0.000) 4.802 9.560 ( 0.000 -2.682 0.000) 2.682 9.691 ( 0.000 -3.349 0.000) 3.349 9.719 ( 0.000 1.537 0.000) 1.537 9.862 ( 0.000 7.504 0.000) 7.504 9.906 ( 0.000 6.761 0.000) 6.761 9.921 ( 0.000 2.703 0.000) 2.703 10.417 ( 0.000 15.085 0.000) 15.085 10.656 ( 0.000 2.339 0.000) 2.339 10.985 ( 0.000 -0.406 0.000) 0.406 11.139 ( 0.000 -23.093 0.000) 23.093 11.286 ( 0.000 3.672 0.000) 3.672 12.102 ( 0.000 14.609 0.000) 14.609 12.546 ( 0.000 5.155 0.000) 5.155 12.566 ( 0.000 -8.104 0.000) 8.104 14.297 ( 0.000 3.313 0.000) 3.313 14.652 ( 0.000 -8.791 0.000) 8.791 14.704 ( 0.000 -0.927 0.000) 0.927 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 21.034 18.861 0.000) 28.252 0.821 ( 20.641 21.161 0.000) 29.561 1.573 ( 34.695 42.006 0.000) 54.482 2.736 ( 8.497 -3.625 0.000) 9.238 2.809 ( 0.199 -8.394 0.000) 8.396 3.313 ( -4.583 -1.282 0.000) 4.759 3.502 ( -18.607 -2.134 0.000) 18.729 3.603 ( 1.068 6.199 0.000) 6.290 3.796 ( -0.880 -3.524 0.000) 3.632 3.839 ( -1.499 0.303 0.000) 1.529 4.336 ( 2.943 1.683 0.000) 3.391 4.639 ( 4.029 -2.412 0.000) 4.696 5.008 ( 0.052 -7.813 0.000) 7.813 5.143 ( 15.910 -7.558 0.000) 17.614 5.388 ( -2.919 -9.278 0.000) 9.727 5.787 ( 0.365 -12.681 0.000) 12.686 6.089 ( -20.028 17.694 0.000) 26.725 6.157 ( -15.892 6.534 0.000) 17.183 6.348 ( -8.967 5.267 0.000) 10.400 6.525 ( -0.731 10.302 0.000) 10.328 6.829 ( -4.556 -2.584 0.000) 5.238 7.067 ( -9.005 -0.211 0.000) 9.007 7.280 ( 5.822 -11.897 0.000) 13.245 7.543 ( 12.584 -6.146 0.000) 14.005 7.825 ( 3.971 10.198 0.000) 10.944 7.974 ( 24.507 -18.015 0.000) 30.416 8.005 ( 8.039 -6.030 0.000) 10.049 8.077 ( 3.436 0.831 0.000) 3.535 8.884 ( -8.640 1.137 0.000) 8.714 8.979 ( -3.704 5.689 0.000) 6.789 9.489 ( -5.093 -4.116 0.000) 6.548 9.493 ( 18.238 -28.060 0.000) 33.466 9.667 ( -1.941 -2.521 0.000) 3.182 9.801 ( -5.323 6.047 0.000) 8.056 9.841 ( 9.334 2.248 0.000) 9.601 9.907 ( -1.152 1.548 0.000) 1.929 9.908 ( -0.682 5.758 0.000) 5.798 10.410 ( -0.390 13.824 0.000) 13.830 10.638 ( -1.940 1.893 0.000) 2.710 10.925 ( -5.993 4.950 0.000) 7.773 11.196 ( 5.283 -21.754 0.000) 22.386 11.277 ( 0.382 2.047 0.000) 2.082 12.120 ( 1.911 13.917 0.000) 14.048 12.579 ( 0.530 -7.563 0.000) 7.582 12.591 ( 4.595 5.927 0.000) 7.500 13.993 ( -25.570 25.296 0.000) 35.968 14.563 ( -2.767 1.003 0.000) 2.943 14.656 ( 0.341 -8.572 0.000) 8.579 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 25.633 11.080 0.000) 27.925 1.254 ( 24.113 15.292 0.000) 28.553 2.307 ( 36.924 24.688 0.000) 44.417 2.813 ( -0.167 -8.454 0.000) 8.455 2.900 ( 8.680 -1.194 0.000) 8.761 3.102 ( -21.806 2.044 0.000) 21.902 3.162 ( -10.118 -1.380 0.000) 10.211 3.631 ( 1.584 6.862 0.000) 7.043 3.798 ( -2.708 2.558 0.000) 3.725 3.902 ( 13.770 -6.334 0.000) 15.157 4.398 ( 3.006 1.196 0.000) 3.235 4.722 ( 4.106 -3.016 0.000) 5.095 4.985 ( -2.012 -11.252 0.000) 11.430 5.320 ( -3.742 -5.987 0.000) 7.060 5.474 ( 14.972 -9.254 0.000) 17.601 5.750 ( -25.521 6.330 0.000) 26.294 5.806 ( 2.013 -10.448 0.000) 10.640 5.888 ( -5.205 6.193 0.000) 8.090 6.102 ( -15.209 6.958 0.000) 16.725 6.524 ( 0.665 9.342 0.000) 9.365 6.713 ( -7.425 -5.968 0.000) 9.526 6.897 ( -8.742 3.429 0.000) 9.390 7.431 ( 9.678 -11.829 0.000) 15.283 7.765 ( 10.058 -9.675 0.000) 13.956 7.933 ( 7.177 9.261 0.000) 11.716 8.142 ( 8.803 -0.627 0.000) 8.825 8.163 ( 5.181 0.229 0.000) 5.186 8.222 ( 4.272 -6.824 0.000) 8.051 8.725 ( -8.369 2.263 0.000) 8.669 8.894 ( -5.131 7.260 0.000) 8.890 9.400 ( -3.847 -4.876 0.000) 6.211 9.621 ( -2.618 -1.996 0.000) 3.292 9.658 ( -5.264 -3.682 0.000) 6.424 9.720 ( 2.003 -9.974 0.000) 10.174 9.872 ( -2.855 -3.987 0.000) 4.904 9.872 ( -1.780 0.448 0.000) 1.836 10.036 ( 10.076 1.631 0.000) 10.207 10.418 ( 1.438 12.220 0.000) 12.304 10.579 ( -4.363 1.264 0.000) 4.543 10.793 ( -7.067 10.928 0.000) 13.014 11.305 ( 5.419 -19.099 0.000) 19.853 11.313 ( 2.873 -3.270 0.000) 4.352 12.177 ( 4.106 11.367 0.000) 12.086 12.562 ( -2.429 -4.730 0.000) 5.317 12.714 ( 8.186 7.915 0.000) 11.387 13.593 ( -16.559 23.307 0.000) 28.590 14.569 ( 1.865 -2.468 0.000) 3.094 14.662 ( 0.279 -7.938 0.000) 7.943 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 24.139 10.725 0.000) 26.414 1.737 ( 25.253 6.846 0.000) 26.164 2.562 ( -10.630 7.968 0.000) 13.285 2.623 ( -21.651 2.364 0.000) 21.780 2.881 ( 0.448 -3.763 0.000) 3.789 2.985 ( -4.332 -5.234 0.000) 6.794 3.361 ( 36.516 11.701 0.000) 38.344 3.664 ( 2.341 6.680 0.000) 7.079 3.743 ( -2.893 4.043 0.000) 4.971 4.284 ( 24.183 -9.973 0.000) 26.159 4.403 ( -5.047 1.928 0.000) 5.403 4.788 ( 3.058 -2.655 0.000) 4.050 4.918 ( -6.220 -14.761 0.000) 16.017 5.225 ( -25.480 5.748 0.000) 26.120 5.264 ( -1.656 -0.623 0.000) 1.770 5.533 ( -12.487 0.428 0.000) 12.495 5.799 ( -2.297 -5.736 0.000) 6.179 5.825 ( -2.105 -0.361 0.000) 2.136 6.048 ( 12.779 -3.907 0.000) 13.363 6.549 ( -10.081 -7.821 0.000) 12.759 6.552 ( 2.399 8.591 0.000) 8.920 6.740 ( -7.610 5.748 0.000) 9.537 7.629 ( 10.742 -12.095 0.000) 16.176 7.884 ( 1.325 -13.753 0.000) 13.817 8.088 ( 8.814 7.657 0.000) 11.675 8.245 ( 1.107 -1.197 0.000) 1.631 8.254 ( 3.928 -0.660 0.000) 3.983 8.314 ( 6.013 4.760 0.000) 7.669 8.583 ( -4.916 3.454 0.000) 6.008 8.779 ( -7.158 8.067 0.000) 10.785 9.360 ( -0.099 -3.918 0.000) 3.919 9.518 ( -7.476 0.241 0.000) 7.480 9.587 ( -0.457 -0.348 0.000) 0.574 9.705 ( -4.085 4.670 0.000) 6.204 9.829 ( -1.012 -16.717 0.000) 16.747 9.842 ( -1.297 -3.673 0.000) 3.895 10.213 ( 8.449 1.860 0.000) 8.651 10.468 ( 3.851 11.497 0.000) 12.125 10.478 ( -6.023 1.641 0.000) 6.243 10.669 ( -6.113 11.698 0.000) 13.199 11.367 ( 2.524 -7.718 0.000) 8.121 11.382 ( 2.461 -15.566 0.000) 15.759 12.272 ( 5.802 6.902 0.000) 9.017 12.492 ( -4.836 -1.477 0.000) 5.057 12.892 ( 10.352 10.362 0.000) 14.647 13.325 ( -12.586 16.683 0.000) 20.898 14.611 ( 2.198 -4.268 0.000) 4.800 14.662 ( -0.374 -6.960 0.000) 6.970 ======================= Grid point 13 (10/120) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -5.097 2.919 0.000) 5.874 2.119 ( 5.097 2.919 0.000) 5.874 2.263 ( -4.046 10.105 0.000) 10.885 2.263 ( 4.046 10.105 0.000) 10.885 2.920 ( -2.877 -4.847 0.000) 5.637 2.920 ( 2.877 -4.847 0.000) 5.637 3.691 ( -2.668 5.022 0.000) 5.686 3.691 ( 2.668 5.022 0.000) 5.686 4.066 ( -30.899 8.147 0.000) 31.955 4.066 ( 30.899 8.147 0.000) 31.955 4.708 ( -16.907 -14.226 0.000) 22.096 4.708 ( 16.907 -14.226 0.000) 22.096 4.885 ( -10.203 -1.553 0.000) 10.321 4.885 ( 10.203 -1.553 0.000) 10.321 5.297 ( -6.946 6.589 0.000) 9.574 5.297 ( 6.946 6.589 0.000) 9.574 5.797 ( -0.926 -4.546 0.000) 4.639 5.797 ( 0.926 -4.546 0.000) 4.639 6.322 ( -13.866 -8.096 0.000) 16.057 6.322 ( 13.866 -8.096 0.000) 16.057 6.620 ( -4.897 7.605 0.000) 9.045 6.620 ( 4.897 7.605 0.000) 9.045 7.813 ( -7.795 -13.180 0.000) 15.313 7.813 ( 7.795 -13.180 0.000) 15.313 8.235 ( -4.600 3.459 0.000) 5.756 8.235 ( 4.600 3.459 0.000) 5.756 8.308 ( -3.042 1.465 0.000) 3.376 8.308 ( 3.042 1.465 0.000) 3.376 8.630 ( -7.747 7.067 0.000) 10.486 8.630 ( 7.747 7.067 0.000) 10.486 9.401 ( -4.408 -1.956 0.000) 4.823 9.401 ( 4.408 -1.956 0.000) 4.823 9.619 ( -3.766 2.995 0.000) 4.811 9.619 ( 3.766 2.995 0.000) 4.811 9.826 ( -0.406 -9.918 0.000) 9.926 9.826 ( 0.406 -9.918 0.000) 9.926 10.356 ( -6.848 1.977 0.000) 7.128 10.356 ( 6.848 1.977 0.000) 7.128 10.559 ( -5.480 11.300 0.000) 12.559 10.559 ( 5.480 11.300 0.000) 12.559 11.398 ( -0.555 -11.627 0.000) 11.640 11.398 ( 0.555 -11.627 0.000) 11.640 12.387 ( -6.031 2.236 0.000) 6.432 12.387 ( 6.031 2.236 0.000) 6.432 13.099 ( -11.426 12.945 0.000) 17.266 13.099 ( 11.426 12.945 0.000) 17.266 14.646 ( -1.403 -5.724 0.000) 5.893 14.646 ( 1.403 -5.724 0.000) 5.893 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 0.000 27.469 0.000) 27.469 1.137 ( 0.000 26.878 0.000) 26.878 2.302 ( 0.000 43.775 0.000) 43.775 2.490 ( 0.000 -5.132 0.000) 5.132 2.557 ( 0.000 -15.891 0.000) 15.891 3.375 ( 0.000 3.450 0.000) 3.450 3.652 ( 0.000 -2.554 0.000) 2.554 3.718 ( 0.000 -1.715 0.000) 1.715 3.748 ( 0.000 2.621 0.000) 2.621 3.766 ( 0.000 -4.870 0.000) 4.870 4.358 ( 0.000 3.217 0.000) 3.217 4.543 ( 0.000 -3.054 0.000) 3.054 4.769 ( 0.000 -12.759 0.000) 12.759 4.954 ( 0.000 2.467 0.000) 2.467 5.103 ( 0.000 -19.835 0.000) 19.835 5.502 ( 0.000 -13.509 0.000) 13.509 6.438 ( 0.000 5.569 0.000) 5.569 6.543 ( 0.000 4.757 0.000) 4.757 6.732 ( 0.000 7.641 0.000) 7.641 6.813 ( 0.000 0.121 0.000) 0.121 6.862 ( 0.000 -0.359 0.000) 0.359 7.006 ( 0.000 -8.480 0.000) 8.480 7.041 ( 0.000 4.868 0.000) 4.868 7.255 ( 0.000 -1.904 0.000) 1.904 7.434 ( 0.000 1.620 0.000) 1.620 7.775 ( 0.000 -9.677 0.000) 9.677 7.971 ( 0.000 7.209 0.000) 7.209 8.075 ( 0.000 1.905 0.000) 1.905 8.908 ( 0.000 -5.048 0.000) 5.048 9.055 ( 0.000 -6.238 0.000) 6.238 9.136 ( 0.000 6.233 0.000) 6.233 9.486 ( 0.000 -4.457 0.000) 4.457 9.686 ( 0.000 2.729 0.000) 2.729 9.755 ( 0.000 1.733 0.000) 1.733 9.963 ( 0.000 2.311 0.000) 2.311 10.014 ( 0.000 6.625 0.000) 6.625 10.050 ( 0.000 6.225 0.000) 6.225 10.694 ( 0.000 -20.306 0.000) 20.306 10.725 ( 0.000 4.296 0.000) 4.296 10.809 ( 0.000 21.972 0.000) 21.972 10.966 ( 0.000 -1.630 0.000) 1.630 11.415 ( 0.000 9.360 0.000) 9.360 12.072 ( 0.000 -12.549 0.000) 12.549 12.333 ( 0.000 -14.228 0.000) 14.228 12.918 ( 0.000 26.021 0.000) 26.021 14.388 ( 0.000 5.312 0.000) 5.312 14.389 ( 0.000 -16.718 0.000) 16.718 14.671 ( 0.000 -2.434 0.000) 2.434 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 12.283 23.960 0.000) 26.925 1.300 ( 15.149 24.616 0.000) 28.904 2.480 ( 17.789 33.181 0.000) 37.649 2.565 ( 0.902 -15.189 0.000) 15.216 2.605 ( 11.087 0.564 0.000) 11.101 3.322 ( -5.558 2.855 0.000) 6.249 3.476 ( -14.079 0.353 0.000) 14.083 3.695 ( -1.809 -5.766 0.000) 6.043 3.754 ( 1.298 6.846 0.000) 6.968 3.813 ( 1.569 -3.636 0.000) 3.960 4.381 ( 2.148 2.581 0.000) 3.358 4.578 ( 3.311 -3.364 0.000) 4.720 4.749 ( -1.873 -13.301 0.000) 13.433 5.082 ( 12.039 -0.013 0.000) 12.039 5.104 ( 0.306 -18.053 0.000) 18.056 5.522 ( 2.078 -12.557 0.000) 12.728 6.303 ( -14.552 6.995 0.000) 16.146 6.373 ( -23.710 10.337 0.000) 25.865 6.451 ( -9.364 3.949 0.000) 10.163 6.710 ( -1.328 7.234 0.000) 7.355 6.759 ( -9.442 -4.159 0.000) 10.317 7.061 ( 5.482 -8.953 0.000) 10.498 7.080 ( -3.731 1.931 0.000) 4.201 7.389 ( 8.975 -7.159 0.000) 11.480 7.796 ( 25.139 -2.773 0.000) 25.292 7.890 ( 11.373 -5.573 0.000) 12.665 8.003 ( 3.251 6.910 0.000) 7.637 8.106 ( 3.040 1.753 0.000) 3.509 8.850 ( -5.123 -2.551 0.000) 5.723 9.116 ( 5.626 -12.335 0.000) 13.558 9.118 ( -1.690 7.146 0.000) 7.343 9.428 ( -5.006 -2.236 0.000) 5.482 9.615 ( -3.880 -1.098 0.000) 4.033 9.854 ( 3.316 -2.007 0.000) 3.876 9.942 ( -6.385 6.806 0.000) 9.332 9.976 ( 3.828 5.889 0.000) 7.024 10.036 ( -2.565 5.171 0.000) 5.772 10.645 ( -2.307 -4.679 0.000) 5.217 10.700 ( -2.579 4.156 0.000) 4.891 10.916 ( 8.110 7.169 0.000) 10.825 10.954 ( -1.356 -1.039 0.000) 1.709 11.399 ( -1.505 9.827 0.000) 9.942 12.089 ( 1.731 -12.322 0.000) 12.443 12.347 ( 1.085 -14.490 0.000) 14.531 12.962 ( 4.568 25.602 0.000) 26.006 14.303 ( -10.561 9.247 0.000) 14.037 14.400 ( 1.070 -16.258 0.000) 16.293 14.571 ( -6.288 -0.574 0.000) 6.314 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 18.840 17.338 0.000) 25.603 1.636 ( 19.113 21.005 0.000) 28.399 2.589 ( 1.425 -13.127 0.000) 13.204 2.785 ( 9.034 -10.428 0.000) 13.797 2.905 ( 13.023 28.881 0.000) 31.681 3.184 ( -15.828 6.514 0.000) 17.116 3.223 ( 4.094 9.581 0.000) 10.419 3.701 ( 2.153 -7.708 0.000) 8.003 3.816 ( -0.908 -2.441 0.000) 2.605 3.823 ( 8.016 5.748 0.000) 9.864 4.425 ( 2.002 1.210 0.000) 2.340 4.651 ( 4.123 -3.447 0.000) 5.374 4.698 ( -3.725 -13.891 0.000) 14.382 5.124 ( 2.093 -13.239 0.000) 13.403 5.347 ( 14.179 -3.392 0.000) 14.579 5.582 ( 4.439 -10.350 0.000) 11.262 5.914 ( -25.355 8.788 0.000) 26.835 6.031 ( -13.185 7.396 0.000) 15.118 6.198 ( -16.382 2.170 0.000) 16.525 6.559 ( -11.084 -8.754 0.000) 14.125 6.706 ( 0.918 7.968 0.000) 8.020 6.991 ( -5.087 5.925 0.000) 7.809 7.201 ( 8.899 -10.371 0.000) 13.666 7.534 ( 6.009 -11.437 0.000) 12.920 8.088 ( 5.510 5.798 0.000) 7.999 8.135 ( 12.812 0.203 0.000) 12.813 8.153 ( 12.487 -0.774 0.000) 12.510 8.180 ( 4.379 1.282 0.000) 4.563 8.738 ( -6.198 0.002 0.000) 6.198 9.078 ( -2.832 9.725 0.000) 10.129 9.252 ( 8.319 -19.106 0.000) 20.839 9.338 ( -3.596 -0.821 0.000) 3.689 9.548 ( -3.039 -4.124 0.000) 5.122 9.792 ( -9.162 6.131 0.000) 11.025 9.825 ( -4.062 -5.226 0.000) 6.619 9.945 ( -6.808 3.430 0.000) 7.623 10.125 ( 9.321 6.644 0.000) 11.447 10.632 ( -4.415 4.204 0.000) 6.096 10.634 ( 1.072 1.973 0.000) 2.246 10.914 ( -2.930 0.678 0.000) 3.007 11.069 ( 7.598 2.186 0.000) 7.906 11.366 ( -1.902 9.167 0.000) 9.362 12.134 ( 2.885 -11.978 0.000) 12.320 12.355 ( -0.505 -14.376 0.000) 14.385 13.085 ( 8.250 24.461 0.000) 25.815 14.020 ( -16.615 16.747 0.000) 23.591 14.427 ( 1.655 -14.928 0.000) 15.019 14.508 ( -1.322 -3.440 0.000) 3.686 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 20.101 11.155 0.000) 22.989 1.993 ( 17.872 15.669 0.000) 23.768 2.594 ( -2.493 -6.707 0.000) 7.156 2.762 ( -15.961 6.495 0.000) 17.232 2.864 ( -0.033 -1.934 0.000) 1.934 2.917 ( -10.467 9.418 0.000) 14.081 3.676 ( 25.557 15.760 0.000) 30.026 3.746 ( 7.506 -2.181 0.000) 7.816 3.789 ( -1.740 -1.935 0.000) 2.602 4.096 ( 18.885 -3.533 0.000) 19.212 4.427 ( -3.228 -0.124 0.000) 3.230 4.601 ( -6.569 -13.268 0.000) 14.805 4.735 ( 5.244 -1.673 0.000) 5.505 5.198 ( 6.214 -6.439 0.000) 8.949 5.387 ( -28.803 9.778 0.000) 30.418 5.528 ( 2.086 -0.735 0.000) 2.211 5.673 ( 1.429 -6.013 0.000) 6.181 5.838 ( -7.876 2.141 0.000) 8.161 5.946 ( -2.815 -5.983 0.000) 6.612 6.342 ( -12.008 -11.725 0.000) 16.783 6.741 ( 2.748 9.434 0.000) 9.826 6.895 ( -4.948 9.183 0.000) 10.431 7.382 ( 9.672 -11.881 0.000) 15.320 7.599 ( 0.398 -13.483 0.000) 13.489 8.199 ( 5.498 3.332 0.000) 6.428 8.247 ( 2.120 1.576 0.000) 2.642 8.260 ( 4.082 1.091 0.000) 4.226 8.379 ( 6.574 1.226 0.000) 6.688 8.661 ( 1.008 4.966 0.000) 5.068 8.987 ( -7.231 11.646 0.000) 13.708 9.318 ( 1.779 0.147 0.000) 1.785 9.401 ( 6.168 -16.058 0.000) 17.202 9.523 ( 1.089 -5.024 0.000) 5.141 9.618 ( -7.943 2.609 0.000) 8.360 9.735 ( -5.164 -7.460 0.000) 9.073 9.793 ( -8.695 1.420 0.000) 8.811 10.291 ( 8.030 5.838 0.000) 9.928 10.538 ( -5.405 4.708 0.000) 7.168 10.679 ( 3.484 4.422 0.000) 5.630 10.844 ( -4.280 2.870 0.000) 5.154 11.193 ( 5.417 1.451 0.000) 5.608 11.327 ( -2.255 6.317 0.000) 6.707 12.195 ( 3.543 -12.090 0.000) 12.598 12.325 ( -2.606 -13.630 0.000) 13.877 13.265 ( 10.514 22.925 0.000) 25.221 13.726 ( -14.185 19.713 0.000) 24.287 14.458 ( 1.519 -12.864 0.000) 12.954 14.494 ( -0.525 -6.999 0.000) 7.018 ======================= Grid point 22 (15/120) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -2.413 6.464 0.000) 6.900 2.218 ( 2.413 6.464 0.000) 6.900 2.508 ( -2.573 10.546 0.000) 10.855 2.508 ( 2.573 10.546 0.000) 10.855 2.842 ( -0.825 0.381 0.000) 0.909 2.842 ( 0.825 0.381 0.000) 0.909 3.756 ( -1.631 -1.953 0.000) 2.544 3.756 ( 1.631 -1.953 0.000) 2.544 4.216 ( -20.489 3.784 0.000) 20.836 4.216 ( 20.489 3.784 0.000) 20.836 4.430 ( -13.449 -8.520 0.000) 15.921 4.430 ( 13.449 -8.520 0.000) 15.921 4.919 ( -17.249 5.286 0.000) 18.041 4.919 ( 17.249 5.286 0.000) 18.041 5.374 ( -12.093 0.556 0.000) 12.106 5.374 ( 12.093 0.556 0.000) 12.106 5.717 ( -4.977 -2.385 0.000) 5.519 5.717 ( 4.977 -2.385 0.000) 5.519 6.105 ( -12.666 -12.303 0.000) 17.658 6.105 ( 12.666 -12.303 0.000) 17.658 6.808 ( -4.158 10.302 0.000) 11.110 6.808 ( 4.158 10.302 0.000) 11.110 7.541 ( -6.347 -13.184 0.000) 14.632 7.541 ( 6.347 -13.184 0.000) 14.632 8.259 ( -0.798 1.104 0.000) 1.362 8.259 ( 0.798 1.104 0.000) 1.362 8.354 ( -5.435 1.044 0.000) 5.534 8.354 ( 5.435 1.044 0.000) 5.534 8.809 ( -10.788 10.154 0.000) 14.815 8.809 ( 10.788 10.154 0.000) 14.815 9.395 ( -5.352 0.422 0.000) 5.369 9.395 ( 5.352 0.422 0.000) 5.369 9.570 ( -0.663 -8.589 0.000) 8.615 9.570 ( 0.663 -8.589 0.000) 8.615 9.666 ( -1.360 -3.830 0.000) 4.064 9.666 ( 1.360 -3.830 0.000) 4.064 10.427 ( -6.397 5.286 0.000) 8.299 10.427 ( 6.397 5.286 0.000) 8.299 10.758 ( -4.607 4.424 0.000) 6.387 10.758 ( 4.607 4.424 0.000) 6.387 11.275 ( -3.387 3.158 0.000) 4.631 11.275 ( 3.387 3.158 0.000) 4.631 12.264 ( -3.604 -12.746 0.000) 13.246 12.264 ( 3.604 -12.746 0.000) 13.246 13.479 ( -12.040 21.331 0.000) 24.494 13.479 ( 12.040 21.331 0.000) 24.494 14.481 ( -0.913 -10.201 0.000) 10.242 14.481 ( 0.913 -10.201 0.000) 10.242 ======================= Grid point 27 (16/120) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 0.000 24.501 0.000) 24.501 1.672 ( 0.000 25.981 0.000) 25.981 2.124 ( 0.000 -19.947 0.000) 19.947 2.167 ( 0.000 -22.021 0.000) 22.021 3.239 ( 0.000 33.712 0.000) 33.712 3.505 ( 0.000 10.704 0.000) 10.704 3.581 ( 0.000 -8.443 0.000) 8.443 3.626 ( 0.000 0.375 0.000) 0.375 3.672 ( 0.000 -3.849 0.000) 3.849 3.787 ( 0.000 -6.026 0.000) 6.026 4.432 ( 0.000 4.318 0.000) 4.318 4.499 ( 0.000 0.344 0.000) 0.344 4.554 ( 0.000 -8.045 0.000) 8.045 4.675 ( 0.000 -18.276 0.000) 18.276 5.053 ( 0.000 7.297 0.000) 7.297 5.246 ( 0.000 -11.289 0.000) 11.289 6.533 ( 0.000 3.825 0.000) 3.825 6.587 ( 0.000 -0.783 0.000) 0.783 6.823 ( 0.000 0.880 0.000) 0.880 6.842 ( 0.000 3.304 0.000) 3.304 6.845 ( 0.000 -1.111 0.000) 1.111 6.893 ( 0.000 -2.863 0.000) 2.863 7.149 ( 0.000 4.887 0.000) 4.887 7.218 ( 0.000 -2.052 0.000) 2.052 7.473 ( 0.000 2.929 0.000) 2.929 7.585 ( 0.000 -8.058 0.000) 8.058 8.077 ( 0.000 3.144 0.000) 3.144 8.103 ( 0.000 0.378 0.000) 0.378 8.867 ( 0.000 0.974 0.000) 0.974 8.934 ( 0.000 -5.114 0.000) 5.114 9.262 ( 0.000 6.023 0.000) 6.023 9.382 ( 0.000 -5.608 0.000) 5.608 9.761 ( 0.000 2.971 0.000) 2.971 9.781 ( 0.000 0.571 0.000) 0.571 10.060 ( 0.000 8.464 0.000) 8.464 10.115 ( 0.000 3.021 0.000) 3.021 10.132 ( 0.000 1.554 0.000) 1.554 10.319 ( 0.000 -16.098 0.000) 16.098 10.822 ( 0.000 4.892 0.000) 4.892 10.912 ( 0.000 -3.686 0.000) 3.686 11.277 ( 0.000 23.129 0.000) 23.129 11.670 ( 0.000 15.198 0.000) 15.198 11.726 ( 0.000 -20.177 0.000) 20.177 12.007 ( 0.000 -16.962 0.000) 16.962 13.468 ( 0.000 26.680 0.000) 26.680 13.980 ( 0.000 -22.953 0.000) 22.953 14.501 ( 0.000 5.494 0.000) 5.494 14.603 ( 0.000 -4.244 0.000) 4.244 ======================= Grid point 28 (17/120) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 7.002 23.842 0.000) 24.849 1.798 ( 12.712 23.636 0.000) 26.838 2.198 ( 3.243 -20.528 0.000) 20.782 2.245 ( 11.581 -19.536 0.000) 22.711 3.335 ( 9.834 27.700 0.000) 29.393 3.441 ( -6.194 12.040 0.000) 13.539 3.536 ( -7.246 5.634 0.000) 9.178 3.561 ( -2.142 -6.217 0.000) 6.575 3.686 ( -0.330 -7.984 0.000) 7.991 3.804 ( 2.388 -5.947 0.000) 6.409 4.440 ( 0.681 3.438 0.000) 3.504 4.533 ( 3.376 0.692 0.000) 3.446 4.541 ( -1.302 -7.013 0.000) 7.133 4.710 ( 3.647 -17.243 0.000) 17.624 5.133 ( 7.971 5.214 0.000) 9.524 5.290 ( 4.495 -9.830 0.000) 10.809 6.424 ( -12.188 4.679 0.000) 13.055 6.485 ( -10.828 -0.883 0.000) 10.864 6.540 ( -20.262 6.671 0.000) 21.332 6.661 ( -15.037 -5.335 0.000) 15.955 6.826 ( -0.244 4.643 0.000) 4.649 6.921 ( 2.989 -5.149 0.000) 5.954 7.150 ( -0.500 4.769 0.000) 4.795 7.261 ( 3.239 -5.771 0.000) 6.618 7.772 ( 22.264 0.038 0.000) 22.264 7.801 ( 18.661 -2.902 0.000) 18.885 8.105 ( 2.764 3.060 0.000) 4.123 8.131 ( 2.774 0.287 0.000) 2.789 8.835 ( -3.086 1.718 0.000) 3.531 8.924 ( -0.735 -6.874 0.000) 6.914 9.251 ( -0.783 5.889 0.000) 5.941 9.360 ( -1.821 -4.605 0.000) 4.952 9.663 ( -6.732 5.221 0.000) 8.519 9.778 ( -3.238 -5.150 0.000) 6.083 10.055 ( -5.861 3.895 0.000) 7.037 10.093 ( -4.387 0.332 0.000) 4.400 10.133 ( 6.962 9.545 0.000) 11.815 10.373 ( 5.126 -13.963 0.000) 14.874 10.800 ( -2.206 5.293 0.000) 5.734 10.899 ( -1.373 -4.051 0.000) 4.278 11.305 ( 2.759 22.389 0.000) 22.558 11.667 ( -0.489 15.785 0.000) 15.793 11.747 ( 2.050 -20.015 0.000) 20.120 12.014 ( 0.480 -17.401 0.000) 17.408 13.502 ( 3.536 26.124 0.000) 26.362 14.002 ( 2.247 -22.340 0.000) 22.452 14.448 ( -5.959 5.477 0.000) 8.094 14.534 ( -5.978 -3.018 0.000) 6.697 ======================= Grid point 29 (18/120) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 11.897 18.549 0.000) 22.036 2.077 ( 15.130 21.491 0.000) 26.283 2.285 ( 5.772 -16.491 0.000) 17.472 2.487 ( 11.624 -17.952 0.000) 21.387 3.277 ( -9.660 11.089 0.000) 14.706 3.380 ( -8.878 12.464 0.000) 15.303 3.493 ( -2.003 -10.053 0.000) 10.251 3.635 ( 18.075 22.544 0.000) 28.895 3.654 ( -2.758 -12.626 0.000) 12.924 3.903 ( 8.488 -2.158 0.000) 8.758 4.449 ( -0.111 1.465 0.000) 1.469 4.505 ( -2.437 -4.934 0.000) 5.503 4.621 ( 5.929 2.402 0.000) 6.397 4.812 ( 7.292 -15.160 0.000) 16.823 5.326 ( 11.505 1.378 0.000) 11.588 5.406 ( 7.571 -6.450 0.000) 9.946 6.082 ( -22.871 7.113 0.000) 23.951 6.189 ( -19.635 -3.006 0.000) 19.864 6.190 ( -16.143 8.287 0.000) 18.145 6.371 ( -14.855 -9.320 0.000) 17.536 6.856 ( 3.186 7.102 0.000) 7.784 7.011 ( 6.359 -8.299 0.000) 10.455 7.137 ( -1.042 8.160 0.000) 8.226 7.319 ( 2.522 -9.658 0.000) 9.982 8.149 ( 16.510 0.740 0.000) 16.527 8.153 ( 15.282 0.256 0.000) 15.284 8.173 ( 4.120 2.616 0.000) 4.880 8.198 ( 3.951 0.075 0.000) 3.951 8.772 ( -2.433 4.321 0.000) 4.959 8.937 ( 3.266 -11.816 0.000) 12.259 9.247 ( 0.495 6.232 0.000) 6.252 9.335 ( -0.193 -1.843 0.000) 1.854 9.523 ( -7.843 4.124 0.000) 8.861 9.678 ( -6.798 -8.623 0.000) 10.980 9.905 ( -9.651 4.564 0.000) 10.676 9.967 ( -8.702 -1.241 0.000) 8.790 10.286 ( 8.443 8.943 0.000) 12.299 10.487 ( 6.404 -10.501 0.000) 12.300 10.743 ( -3.734 6.127 0.000) 7.175 10.860 ( -2.760 -4.840 0.000) 5.571 11.372 ( 4.109 20.756 0.000) 21.159 11.647 ( -1.759 16.913 0.000) 17.004 11.798 ( 3.166 -19.652 0.000) 19.905 12.014 ( -0.714 -18.190 0.000) 18.204 13.597 ( 6.321 24.499 0.000) 25.302 14.062 ( 3.878 -20.570 0.000) 20.932 14.280 ( -10.688 9.313 0.000) 14.176 14.423 ( -5.540 -5.192 0.000) 7.593 ======================= Grid point 30 (19/120) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 13.217 12.057 0.000) 17.890 2.320 ( 9.217 15.587 0.000) 18.109 2.405 ( 6.497 -10.821 0.000) 12.622 2.608 ( 0.108 -12.285 0.000) 12.286 3.112 ( -6.197 16.700 0.000) 17.813 3.213 ( -8.391 18.045 0.000) 19.901 3.471 ( 0.665 -17.473 0.000) 17.485 3.590 ( -3.884 -16.657 0.000) 17.104 4.006 ( 18.168 11.786 0.000) 21.656 4.123 ( 14.114 0.395 0.000) 14.119 4.412 ( -4.584 0.429 0.000) 4.604 4.454 ( -2.957 -3.156 0.000) 4.324 4.775 ( 11.449 7.093 0.000) 13.468 4.999 ( 12.854 -12.287 0.000) 17.782 5.520 ( 6.606 0.503 0.000) 6.625 5.554 ( -2.989 -1.093 0.000) 3.182 5.617 ( -15.767 7.804 0.000) 17.593 5.802 ( -16.636 -8.254 0.000) 18.571 5.926 ( -11.998 6.599 0.000) 13.693 6.105 ( -13.298 -10.670 0.000) 17.049 6.936 ( 5.026 9.830 0.000) 11.040 7.103 ( -2.698 10.986 0.000) 11.312 7.148 ( 7.669 -10.935 0.000) 13.356 7.339 ( -0.849 -12.081 0.000) 12.111 8.248 ( 3.483 1.864 0.000) 3.951 8.272 ( 3.832 -0.295 0.000) 3.844 8.301 ( 2.297 3.285 0.000) 4.008 8.363 ( 3.583 -2.372 0.000) 4.297 8.814 ( 8.437 10.227 0.000) 13.258 9.073 ( 10.441 -14.827 0.000) 18.135 9.229 ( -5.546 11.171 0.000) 12.472 9.367 ( 3.261 4.149 0.000) 5.277 9.408 ( -1.917 -5.417 0.000) 5.746 9.544 ( -5.764 -10.423 0.000) 11.910 9.703 ( -11.154 4.385 0.000) 11.985 9.777 ( -10.786 -2.552 0.000) 11.084 10.437 ( 7.341 8.034 0.000) 10.883 10.605 ( 5.952 -7.879 0.000) 9.875 10.662 ( -4.759 6.870 0.000) 8.357 10.796 ( -3.991 -5.613 0.000) 6.887 11.453 ( 4.270 19.260 0.000) 19.727 11.599 ( -3.152 17.764 0.000) 18.041 11.862 ( 3.506 -19.311 0.000) 19.627 11.984 ( -2.429 -18.747 0.000) 18.904 13.734 ( 7.972 21.971 0.000) 23.373 14.077 ( -10.253 14.492 0.000) 17.752 14.143 ( 4.589 -17.825 0.000) 18.406 14.323 ( -5.006 -9.887 0.000) 11.082 ======================= Grid point 31 (20/120) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( -5.314 8.016 0.000) 9.618 2.370 ( 5.314 8.016 0.000) 9.618 2.523 ( -6.386 -6.141 0.000) 8.860 2.523 ( 6.386 -6.141 0.000) 8.860 3.088 ( -3.634 20.142 0.000) 20.467 3.088 ( 3.634 20.142 0.000) 20.467 3.516 ( -3.590 -19.391 0.000) 19.721 3.516 ( 3.590 -19.391 0.000) 19.721 4.272 ( -10.331 4.284 0.000) 11.184 4.272 ( 10.331 4.284 0.000) 11.184 4.357 ( -8.479 -3.001 0.000) 8.994 4.357 ( 8.479 -3.001 0.000) 8.994 5.102 ( -23.087 11.339 0.000) 25.722 5.102 ( 23.087 11.339 0.000) 25.722 5.307 ( -19.120 -7.236 0.000) 20.443 5.307 ( 19.120 -7.236 0.000) 20.443 5.724 ( -9.503 3.429 0.000) 10.103 5.724 ( 9.503 3.429 0.000) 10.103 5.864 ( -12.014 -10.088 0.000) 15.688 5.864 ( 12.014 -10.088 0.000) 15.688 7.032 ( -4.692 11.581 0.000) 12.495 7.032 ( 4.692 11.581 0.000) 12.495 7.278 ( -5.454 -12.481 0.000) 13.620 7.278 ( 5.454 -12.481 0.000) 13.620 8.297 ( -1.698 2.423 0.000) 2.959 8.297 ( 1.698 2.423 0.000) 2.959 8.343 ( -3.421 -1.741 0.000) 3.838 8.343 ( 3.421 -1.741 0.000) 3.838 9.036 ( -12.648 11.873 0.000) 17.348 9.036 ( 12.648 11.873 0.000) 17.348 9.281 ( -10.280 -11.405 0.000) 15.355 9.281 ( 10.280 -11.405 0.000) 15.355 9.504 ( -9.218 2.809 0.000) 9.637 9.504 ( 9.218 2.809 0.000) 9.637 9.585 ( -8.534 -4.346 0.000) 9.577 9.585 ( 8.534 -4.346 0.000) 9.577 10.562 ( -5.874 7.412 0.000) 9.457 10.562 ( 5.874 7.412 0.000) 9.457 10.710 ( -5.053 -6.420 0.000) 8.170 10.710 ( 5.053 -6.420 0.000) 8.170 11.531 ( -3.946 18.363 0.000) 18.782 11.531 ( 3.946 18.363 0.000) 18.782 11.927 ( -3.356 -19.058 0.000) 19.351 11.927 ( 3.356 -19.058 0.000) 19.351 13.895 ( -9.013 18.678 0.000) 20.739 13.895 ( 9.013 18.678 0.000) 20.739 14.232 ( -4.735 -14.254 0.000) 15.020 14.232 ( 4.735 -14.254 0.000) 15.020 ======================= Grid point 63 (21/120) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 0.000 0.000 27.394) 27.394 0.614 ( 0.000 0.000 29.237) 29.237 1.052 ( 0.000 0.000 49.639) 49.639 2.717 ( 0.000 0.000 2.752) 2.752 3.019 ( 0.000 0.000 11.270) 11.270 3.384 ( 0.000 0.000 -9.770) 9.770 3.473 ( 0.000 0.000 10.206) 10.206 3.761 ( 0.000 0.000 2.202) 2.202 3.932 ( 0.000 0.000 6.803) 6.803 4.035 ( 0.000 0.000 10.657) 10.657 4.719 ( 0.000 0.000 9.311) 9.311 4.891 ( 0.000 0.000 -4.100) 4.100 4.910 ( 0.000 0.000 -19.021) 19.021 5.399 ( 0.000 0.000 0.943) 0.943 5.684 ( 0.000 0.000 8.468) 8.468 5.832 ( 0.000 0.000 3.105) 3.105 5.973 ( 0.000 0.000 0.920) 0.920 6.165 ( 0.000 0.000 -8.666) 8.666 6.272 ( 0.000 0.000 -6.881) 6.881 6.670 ( 0.000 0.000 -0.058) 0.058 6.850 ( 0.000 0.000 2.118) 2.118 6.869 ( 0.000 0.000 -0.284) 0.284 7.289 ( 0.000 0.000 -2.242) 2.242 7.340 ( 0.000 0.000 -3.213) 3.213 7.425 ( 0.000 0.000 0.107) 0.107 7.965 ( 0.000 0.000 -3.355) 3.355 8.062 ( 0.000 0.000 1.154) 1.154 8.331 ( 0.000 0.000 -10.067) 10.067 8.377 ( 0.000 0.000 -2.843) 2.843 8.866 ( 0.000 0.000 -6.520) 6.520 9.382 ( 0.000 0.000 10.632) 10.632 9.671 ( 0.000 0.000 -2.453) 2.453 9.723 ( 0.000 0.000 -4.089) 4.089 9.741 ( 0.000 0.000 -3.581) 3.581 9.743 ( 0.000 0.000 -4.236) 4.236 9.950 ( 0.000 0.000 5.575) 5.575 10.176 ( 0.000 0.000 -5.604) 5.604 10.523 ( 0.000 0.000 4.074) 4.074 10.598 ( 0.000 0.000 -3.196) 3.196 11.028 ( 0.000 0.000 3.079) 3.079 11.276 ( 0.000 0.000 2.403) 2.403 11.328 ( 0.000 0.000 -17.476) 17.476 11.718 ( 0.000 0.000 0.824) 0.824 12.173 ( 0.000 0.000 -3.826) 3.826 12.841 ( 0.000 0.000 13.590) 13.590 13.990 ( 0.000 0.000 1.922) 1.922 14.290 ( 0.000 0.000 2.555) 2.555 14.695 ( 0.000 0.000 -4.455) 4.455 ======================= Grid point 64 (22/120) ======================= q-point: ( 0.12 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 16.530 0.000 17.398) 23.998 0.789 ( 19.346 0.000 19.679) 27.596 1.553 ( 38.815 0.000 35.877) 52.856 2.778 ( 6.292 0.000 1.344) 6.434 3.035 ( 0.780 0.000 11.454) 11.481 3.315 ( -8.504 0.000 -9.738) 12.929 3.434 ( -4.628 0.000 9.398) 10.475 3.699 ( -5.905 0.000 5.071) 7.783 3.904 ( -8.963 0.000 6.984) 11.362 3.916 ( 0.225 0.000 7.991) 7.994 4.721 ( -3.522 0.000 10.520) 11.094 4.905 ( 1.870 0.000 -14.759) 14.877 4.911 ( -18.099 0.000 26.234) 31.871 5.123 ( 17.556 0.000 -7.012) 18.904 5.646 ( -3.593 0.000 8.213) 8.964 5.839 ( 0.767 0.000 3.002) 3.099 5.966 ( -0.461 0.000 1.279) 1.359 6.063 ( -12.962 0.000 -2.471) 13.195 6.234 ( -5.598 0.000 -8.931) 10.540 6.308 ( -8.867 0.000 -0.157) 8.869 6.843 ( -2.803 0.000 -0.951) 2.960 6.968 ( -8.062 0.000 -7.840) 11.246 7.418 ( 11.598 0.000 -9.466) 14.970 7.453 ( 3.177 0.000 -2.605) 4.109 7.691 ( 16.022 0.000 -0.292) 16.024 8.038 ( 7.048 0.000 -0.385) 7.058 8.075 ( 1.203 0.000 -0.893) 1.498 8.330 ( 0.112 0.000 -7.803) 7.804 8.543 ( 8.780 0.000 -16.095) 18.334 8.826 ( -4.525 0.000 -4.672) 6.504 9.443 ( 3.829 0.000 3.300) 5.055 9.648 ( -2.419 0.000 -2.724) 3.643 9.711 ( -1.238 0.000 -4.089) 4.272 9.725 ( -1.883 0.000 -3.616) 4.077 9.757 ( 3.046 0.000 -4.636) 5.547 9.939 ( -0.915 0.000 5.325) 5.403 10.175 ( 0.140 0.000 -5.859) 5.860 10.452 ( -6.898 0.000 4.027) 7.988 10.597 ( -0.703 0.000 -2.204) 2.313 10.836 ( -10.998 0.000 6.628) 12.841 11.320 ( 4.171 0.000 2.245) 4.736 11.482 ( 10.949 0.000 -13.812) 17.625 11.710 ( -0.768 0.000 0.851) 1.146 12.236 ( 3.874 0.000 -9.610) 10.361 12.912 ( 5.035 0.000 12.919) 13.866 13.717 ( -15.660 0.000 15.964) 22.362 14.438 ( 6.887 0.000 -5.314) 8.699 14.697 ( 0.115 0.000 -4.453) 4.454 ======================= Grid point 65 (23/120) ======================= q-point: ( 0.25 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 28.177 0.000 3.658) 28.414 1.214 ( 24.213 0.000 12.151) 27.091 2.297 ( 35.003 0.000 21.504) 41.081 2.919 ( 7.638 0.000 1.660) 7.816 3.032 ( -20.218 0.000 -3.766) 20.566 3.037 ( 0.957 0.000 10.504) 10.548 3.295 ( -8.771 0.000 9.683) 13.065 3.611 ( -2.451 0.000 4.300) 4.950 3.771 ( -5.557 0.000 1.204) 5.686 4.025 ( 12.091 0.000 6.898) 13.920 4.597 ( -3.742 0.000 14.468) 14.944 4.859 ( 1.973 0.000 10.317) 10.504 4.957 ( 3.573 0.000 -10.794) 11.369 5.389 ( 3.700 0.000 -2.180) 4.295 5.621 ( 5.917 0.000 0.111) 5.918 5.703 ( -23.322 0.000 3.696) 23.613 5.858 ( 0.974 0.000 1.524) 1.809 5.967 ( -19.151 0.000 -2.079) 19.263 5.976 ( 2.655 0.000 3.871) 4.694 6.293 ( 2.220 0.000 -8.548) 8.831 6.759 ( -6.134 0.000 -2.480) 6.616 6.788 ( -9.890 0.000 -5.312) 11.226 7.548 ( 6.723 0.000 -6.974) 9.687 7.649 ( 12.664 0.000 -8.599) 15.308 7.907 ( 9.357 0.000 1.833) 9.535 8.073 ( -1.678 0.000 -7.537) 7.722 8.210 ( 9.738 0.000 4.800) 10.857 8.353 ( 2.811 0.000 -0.305) 2.827 8.595 ( -2.321 0.000 -11.032) 11.274 8.701 ( -7.952 0.000 -4.501) 9.138 9.462 ( -0.904 0.000 1.553) 1.797 9.585 ( -3.923 0.000 -3.282) 5.115 9.657 ( -4.106 0.000 -1.693) 4.441 9.672 ( -3.619 0.000 -2.190) 4.229 9.887 ( 8.907 0.000 -9.078) 12.718 9.924 ( -0.377 0.000 4.523) 4.539 10.185 ( 0.814 0.000 -6.807) 6.856 10.290 ( -9.512 0.000 3.756) 10.227 10.556 ( -3.301 0.000 -0.592) 3.354 10.688 ( -5.353 0.000 6.085) 8.104 11.413 ( 5.284 0.000 1.899) 5.615 11.688 ( -1.614 0.000 0.930) 1.862 11.711 ( 12.935 0.000 -11.175) 17.094 12.283 ( 0.982 0.000 -11.267) 11.309 12.988 ( 3.210 0.000 15.160) 15.496 13.477 ( -10.499 0.000 14.146) 17.616 14.538 ( 4.271 0.000 -4.606) 6.281 14.697 ( -0.125 0.000 -4.419) 4.420 ======================= Grid point 66 (24/120) ======================= q-point: ( 0.38 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 27.928 0.000 1.699) 27.980 1.682 ( 24.858 0.000 7.877) 26.076 2.536 ( -10.800 0.000 5.471) 12.106 2.608 ( -23.695 0.000 1.532) 23.745 2.999 ( 3.433 0.000 4.602) 5.742 3.159 ( -5.231 0.000 9.763) 11.076 3.391 ( 34.381 0.000 13.551) 36.955 3.595 ( 0.458 0.000 1.086) 1.179 3.681 ( -3.978 0.000 -0.632) 4.027 4.299 ( 9.143 0.000 0.865) 9.184 4.574 ( 3.401 0.000 8.910) 9.537 4.882 ( -0.135 0.000 6.215) 6.217 5.042 ( 5.396 0.000 -5.430) 7.655 5.261 ( -19.640 0.000 10.746) 22.388 5.306 ( -7.577 0.000 2.564) 7.999 5.551 ( -23.671 0.000 2.430) 23.795 5.770 ( 5.239 0.000 -5.123) 7.328 5.860 ( -0.881 0.000 -1.182) 1.474 6.127 ( 12.929 0.000 2.555) 13.179 6.356 ( 4.439 0.000 -7.551) 8.759 6.608 ( -9.812 0.000 -3.290) 10.349 6.609 ( -8.768 0.000 -5.009) 10.098 7.697 ( 8.662 0.000 -10.284) 13.446 7.889 ( 12.372 0.000 -4.841) 13.286 8.000 ( -5.900 0.000 -12.035) 13.404 8.070 ( 7.095 0.000 -1.163) 7.190 8.376 ( 7.046 0.000 8.050) 10.698 8.427 ( 3.968 0.000 6.549) 7.657 8.487 ( -7.344 0.000 -4.453) 8.589 8.558 ( -7.093 0.000 -9.467) 11.829 9.453 ( 0.602 0.000 2.454) 2.527 9.519 ( -2.259 0.000 -3.476) 4.146 9.570 ( -4.703 0.000 0.593) 4.740 9.592 ( -4.542 0.000 -1.474) 4.775 9.934 ( 1.633 0.000 3.604) 3.957 10.045 ( 7.254 0.000 -10.600) 12.845 10.117 ( -8.181 0.000 3.282) 8.815 10.194 ( -0.378 0.000 -9.011) 9.019 10.505 ( -1.183 0.000 2.230) 2.524 10.600 ( -4.316 0.000 5.092) 6.675 11.510 ( 4.723 0.000 1.543) 4.969 11.649 ( -2.586 0.000 1.062) 2.795 11.954 ( 12.114 0.000 -10.090) 15.765 12.263 ( -3.325 0.000 -10.924) 11.419 13.053 ( 4.138 0.000 15.224) 15.776 13.298 ( -8.553 0.000 12.209) 14.907 14.609 ( 3.284 0.000 -4.158) 5.298 14.688 ( -0.906 0.000 -4.313) 4.408 ======================= Grid point 67 (25/120) ======================= q-point: (-0.50 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( -24.514 0.000 4.815) 24.982 2.150 ( 24.514 0.000 4.815) 24.982 2.171 ( -24.158 0.000 2.597) 24.297 2.171 ( 24.158 0.000 2.597) 24.297 3.072 ( -4.146 0.000 7.512) 8.580 3.072 ( 4.146 0.000 7.512) 8.580 3.622 ( -2.291 0.000 -0.502) 2.345 3.622 ( 2.291 0.000 -0.502) 2.345 4.043 ( -29.789 0.000 6.706) 30.535 4.043 ( 29.789 0.000 6.706) 30.535 4.805 ( -10.546 0.000 0.975) 10.591 4.805 ( 10.546 0.000 0.975) 10.591 5.160 ( -12.044 0.000 12.107) 17.077 5.160 ( 12.044 0.000 12.107) 17.077 5.161 ( -7.188 0.000 -0.595) 7.213 5.161 ( 7.188 0.000 -0.595) 7.213 5.831 ( -2.068 0.000 -2.303) 3.095 5.831 ( 2.068 0.000 -2.303) 3.095 6.388 ( -13.274 0.000 -2.045) 13.431 6.388 ( 13.274 0.000 -2.045) 13.431 6.462 ( -6.723 0.000 -5.990) 9.004 6.462 ( 6.723 0.000 -5.990) 9.004 7.862 ( -8.326 0.000 -12.222) 14.789 7.862 ( 8.326 0.000 -12.222) 14.789 8.088 ( -6.795 0.000 -1.655) 6.994 8.088 ( 6.795 0.000 -1.655) 6.994 8.437 ( -3.927 0.000 -8.223) 9.112 8.437 ( 3.927 0.000 -8.223) 9.112 8.459 ( -1.338 0.000 8.956) 9.055 8.459 ( 1.338 0.000 8.956) 9.055 9.491 ( -3.335 0.000 2.215) 4.003 9.491 ( 3.335 0.000 2.215) 4.003 9.520 ( -2.389 0.000 -2.480) 3.443 9.520 ( 2.389 0.000 -2.480) 3.443 9.993 ( -4.767 0.000 3.129) 5.702 9.993 ( 4.767 0.000 3.129) 5.702 10.153 ( -4.045 0.000 -10.725) 11.462 10.153 ( 4.045 0.000 -10.725) 11.462 10.526 ( -3.103 0.000 4.357) 5.349 10.526 ( 3.103 0.000 4.357) 5.349 11.589 ( -3.670 0.000 1.261) 3.881 11.589 ( 3.670 0.000 1.261) 3.881 12.152 ( -8.418 0.000 -10.077) 13.131 12.152 ( 8.418 0.000 -10.077) 13.131 13.154 ( -6.563 0.000 13.156) 14.702 13.154 ( 6.563 0.000 13.156) 14.702 14.660 ( -2.095 0.000 -4.170) 4.667 14.660 ( 2.095 0.000 -4.170) 4.667 ======================= Grid point 72 (26/120) ======================= q-point: ( 0.00 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 0.000 18.105 20.392) 27.269 0.955 ( 0.000 20.410 24.820) 32.134 1.497 ( 0.000 42.101 28.385) 50.776 2.640 ( 0.000 -6.576 0.784) 6.623 2.934 ( 0.000 -8.176 11.482) 14.096 3.439 ( 0.000 4.839 -9.611) 10.760 3.462 ( 0.000 -0.634 10.200) 10.219 3.746 ( 0.000 -1.604 3.326) 3.693 3.861 ( 0.000 -5.957 4.086) 7.223 4.050 ( 0.000 0.711 13.067) 13.086 4.597 ( 0.000 -11.378 11.439) 16.134 4.813 ( 0.000 -8.297 -16.297) 18.288 4.885 ( 0.000 -3.585 -0.141) 3.588 4.904 ( 0.000 -9.071 21.022) 22.895 5.541 ( 0.000 -13.194 6.522) 14.718 5.791 ( 0.000 -12.022 0.830) 12.051 6.232 ( 0.000 14.225 -12.979) 19.257 6.251 ( 0.000 5.876 -5.559) 8.089 6.439 ( 0.000 11.522 -8.023) 14.040 6.771 ( 0.000 6.662 -4.965) 8.309 6.846 ( 0.000 -0.328 2.077) 2.103 6.861 ( 0.000 -0.675 -0.598) 0.902 7.266 ( 0.000 -2.009 -2.434) 3.156 7.316 ( 0.000 -6.343 -0.993) 6.420 7.389 ( 0.000 -0.565 0.598) 0.822 7.917 ( 0.000 -7.473 3.256) 8.151 7.919 ( 0.000 -4.830 -2.430) 5.407 8.047 ( 0.000 -0.718 0.282) 0.771 8.745 ( 0.000 8.891 -14.238) 16.786 8.912 ( 0.000 3.978 -6.216) 7.380 9.326 ( 0.000 -4.349 9.850) 10.768 9.634 ( 0.000 -3.533 -4.939) 6.072 9.666 ( 0.000 -1.504 -4.201) 4.462 9.710 ( 0.000 -1.609 -0.930) 1.859 9.863 ( 0.000 4.499 -3.752) 5.858 9.991 ( 0.000 4.340 5.566) 7.058 10.160 ( 0.000 -10.861 21.496) 24.084 10.331 ( 0.000 13.628 -6.230) 14.985 10.632 ( 0.000 1.711 -2.382) 2.933 10.998 ( 0.000 -20.288 -12.169) 23.658 11.033 ( 0.000 0.455 3.292) 3.324 11.324 ( 0.000 4.970 3.700) 6.196 12.024 ( 0.000 17.288 -6.884) 18.608 12.291 ( 0.000 -2.008 -8.451) 8.686 12.870 ( 0.000 1.979 14.460) 14.595 14.319 ( 0.000 2.587 1.884) 3.200 14.337 ( 0.000 17.060 -17.437) 24.395 14.607 ( 0.000 -8.467 -4.174) 9.440 ======================= Grid point 73 (27/120) ======================= q-point: ( 0.12 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 10.707 17.656 14.215) 25.069 1.128 ( 14.209 21.696 18.153) 31.656 1.859 ( 31.766 29.988 25.343) 50.503 2.717 ( 7.324 -5.758 -0.497) 9.330 2.943 ( 0.738 -8.517 11.331) 14.194 3.351 ( -10.161 2.928 -8.276) 13.428 3.410 ( -5.861 -1.291 8.605) 10.491 3.711 ( -1.929 0.834 5.561) 5.945 3.851 ( -0.770 -3.715 4.637) 5.991 3.953 ( -6.178 1.995 10.472) 12.321 4.598 ( -0.962 -8.562 13.641) 16.135 4.810 ( -1.007 -7.632 -4.756) 9.049 4.851 ( -0.792 -4.187 9.969) 10.841 5.070 ( 15.725 -3.225 -5.008) 16.815 5.514 ( -2.671 -12.028 6.945) 14.144 5.787 ( -0.324 -11.345 0.206) 11.352 6.040 ( -12.569 12.046 -3.301) 17.720 6.154 ( -12.225 7.186 -1.515) 14.261 6.353 ( -12.568 7.042 -1.023) 14.443 6.440 ( -2.620 10.947 -5.686) 12.611 6.816 ( -4.671 -2.341 -0.932) 5.307 6.963 ( -5.396 -0.588 -7.604) 9.343 7.278 ( 4.017 -8.795 -1.404) 9.770 7.441 ( 9.616 -3.980 -7.071) 12.582 7.758 ( 17.234 3.754 -3.783) 18.039 7.979 ( 7.914 -9.734 -2.391) 12.771 8.007 ( 6.863 -4.635 -0.377) 8.290 8.090 ( 6.019 -3.003 0.489) 6.745 8.736 ( -0.994 7.181 -12.794) 14.705 8.870 ( -4.413 3.981 -5.135) 7.855 9.355 ( 1.982 -6.070 4.491) 7.807 9.575 ( -2.523 -6.307 -4.152) 7.962 9.705 ( -0.571 -1.925 -2.092) 2.900 9.746 ( 4.622 2.790 -4.601) 7.093 9.841 ( -2.309 5.164 -2.839) 6.329 9.952 ( -3.087 1.891 6.008) 7.015 10.151 ( -1.508 -10.728 15.255) 18.710 10.329 ( 0.059 12.296 -4.915) 13.242 10.632 ( -0.594 2.429 -1.145) 2.750 10.877 ( -6.513 -4.204 -6.581) 10.169 11.166 ( 7.855 -12.747 -0.860) 14.998 11.327 ( 0.656 3.012 4.242) 5.243 12.046 ( 2.270 17.117 -6.718) 18.528 12.310 ( 1.777 -1.118 -8.834) 9.080 12.910 ( 3.567 0.858 14.645) 15.097 14.007 ( -19.406 18.696 1.109) 26.969 14.456 ( 3.814 1.499 -5.955) 7.228 14.611 ( 0.334 -8.253 -4.181) 9.257 ======================= Grid point 74 (28/120) ======================= q-point: ( 0.25 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 24.399 10.971 4.398) 27.111 1.456 ( 19.664 17.400 12.506) 29.083 2.490 ( 28.355 18.359 15.821) 37.301 2.857 ( 5.027 -6.546 1.677) 8.422 2.965 ( 0.466 -5.810 6.008) 8.371 3.083 ( -12.111 3.843 0.691) 12.724 3.251 ( -8.988 -1.336 7.609) 11.852 3.694 ( -0.571 6.530 5.636) 8.645 3.814 ( -3.450 2.724 1.588) 4.673 3.974 ( 10.129 -4.541 7.864) 13.604 4.569 ( -1.468 -2.466 12.298) 12.628 4.822 ( 2.357 -5.185 3.263) 6.564 4.866 ( 0.822 -6.877 -2.311) 7.302 5.340 ( 6.724 -4.255 -2.715) 8.407 5.480 ( 2.819 -10.042 2.732) 10.782 5.754 ( -21.852 4.824 1.281) 22.415 5.780 ( -0.352 -8.047 -1.617) 8.215 5.961 ( -3.054 2.323 4.978) 6.285 6.091 ( -14.727 7.425 -1.152) 16.533 6.433 ( 0.901 10.342 -7.740) 12.949 6.695 ( -7.745 -4.963 -1.485) 9.318 6.826 ( -7.994 2.592 -6.119) 10.396 7.393 ( 7.726 -10.497 -3.878) 13.599 7.638 ( 10.379 -5.362 -9.405) 14.997 7.933 ( 5.671 2.693 -2.005) 6.590 8.055 ( 2.292 -0.858 -6.171) 6.639 8.196 ( 10.544 -1.438 3.570) 11.224 8.253 ( 8.025 -4.716 -0.075) 9.308 8.687 ( -5.292 4.171 -4.561) 8.137 8.769 ( -4.926 7.107 -8.094) 11.844 9.368 ( -0.279 -5.586 1.202) 5.721 9.545 ( -1.193 -5.829 -4.828) 7.662 9.678 ( -2.793 0.961 -3.236) 4.381 9.764 ( -3.419 -0.333 2.238) 4.100 9.805 ( -1.023 2.755 -1.905) 3.503 9.922 ( -0.231 -1.379 0.408) 1.457 10.118 ( -0.309 -7.099 5.884) 9.225 10.335 ( 0.424 10.829 -4.727) 11.823 10.595 ( -2.960 2.756 0.009) 4.044 10.771 ( -4.819 3.184 -3.190) 6.598 11.303 ( 6.215 -14.315 0.425) 15.611 11.356 ( 2.259 -2.151 3.756) 4.883 12.110 ( 4.371 15.644 -6.339) 17.436 12.346 ( 1.600 0.835 -9.234) 9.409 12.985 ( 4.226 1.431 14.878) 15.533 13.673 ( -15.398 16.534 6.589) 23.535 14.516 ( 2.893 -1.952 -4.196) 5.458 14.618 ( 0.292 -7.661 -4.179) 8.732 ======================= Grid point 75 (29/120) ======================= q-point: ( 0.38 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 26.133 6.609 2.149) 27.041 1.849 ( 21.333 11.924 8.275) 25.803 2.604 ( -13.325 6.680 4.151) 15.473 2.647 ( -20.396 3.319 2.279) 20.789 2.935 ( 3.171 -5.273 4.055) 7.369 3.071 ( -4.291 -6.527 6.928) 10.441 3.491 ( 32.689 9.591 11.651) 36.004 3.688 ( 0.318 7.230 2.631) 7.700 3.756 ( -1.812 5.919 1.069) 6.281 4.262 ( 16.224 -5.172 1.865) 17.130 4.522 ( -4.092 -3.189 7.553) 9.163 4.841 ( -3.790 -7.591 1.792) 8.671 4.888 ( 3.801 -8.617 1.075) 9.479 5.304 ( -20.597 3.160 6.043) 21.696 5.323 ( -4.276 0.956 5.999) 7.428 5.516 ( -6.839 -1.589 -1.687) 7.221 5.776 ( -0.089 -5.907 -1.824) 6.182 5.836 ( -6.266 3.513 0.566) 7.206 6.059 ( 10.054 -5.770 0.814) 11.620 6.456 ( -0.472 5.296 -7.583) 9.262 6.538 ( -6.840 -3.149 -1.798) 7.742 6.678 ( -7.235 5.479 -5.290) 10.504 7.555 ( 8.956 -10.667 -6.847) 15.520 7.779 ( 2.100 -11.234 -8.317) 14.134 8.018 ( 5.407 4.020 -7.185) 9.849 8.129 ( 4.890 2.390 -4.101) 6.815 8.330 ( 3.165 -2.835 1.346) 4.457 8.397 ( 5.521 -0.309 3.873) 6.751 8.559 ( -5.064 4.829 -0.349) 7.006 8.687 ( -4.390 9.847 -6.099) 12.387 9.376 ( 1.700 -3.760 1.539) 4.404 9.514 ( -2.693 -0.640 -3.040) 4.112 9.603 ( -3.264 1.335 0.973) 3.659 9.695 ( -4.303 5.512 -0.157) 6.994 9.784 ( -0.074 -9.802 -0.798) 9.834 9.876 ( -3.997 -9.599 0.053) 10.398 10.176 ( 5.221 2.169 -2.783) 6.301 10.331 ( -1.455 8.704 -6.595) 11.017 10.555 ( -0.200 4.618 1.585) 4.886 10.682 ( -4.735 6.215 0.116) 7.814 11.389 ( 2.828 -10.834 1.661) 11.319 11.400 ( 2.041 -9.003 2.318) 9.518 12.206 ( 5.498 11.641 -6.057) 14.228 12.354 ( -1.073 3.290 -8.293) 8.986 13.079 ( 6.097 4.430 13.138) 15.147 13.418 ( -11.762 11.988 8.014) 18.609 14.567 ( 2.359 -3.969 -3.871) 6.025 14.618 ( -0.321 -6.732 -4.107) 7.893 ======================= Grid point 76 (30/120) ======================= q-point: (-0.50 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( -12.097 2.721 3.586) 12.908 2.156 ( 12.097 2.721 3.586) 12.908 2.304 ( -8.952 10.389 3.939) 14.269 2.304 ( 8.952 10.389 3.939) 14.269 2.999 ( -3.493 -5.778 6.361) 9.276 2.999 ( 3.493 -5.778 6.361) 9.276 3.700 ( -1.330 6.083 0.961) 6.300 3.700 ( 1.330 6.083 0.961) 6.300 4.127 ( -26.981 7.426 5.526) 28.525 4.127 ( 26.981 7.426 5.526) 28.525 4.674 ( -13.955 -13.051 -0.473) 19.113 4.674 ( 13.955 -13.051 -0.473) 19.113 5.000 ( -9.527 -3.470 8.178) 13.026 5.000 ( 9.527 -3.470 8.178) 13.026 5.343 ( -6.109 6.628 4.337) 10.003 5.343 ( 6.109 6.628 4.337) 10.003 5.785 ( -1.112 -3.654 -1.126) 3.982 5.785 ( 1.112 -3.654 -1.126) 3.982 6.290 ( -12.485 -8.068 -3.244) 15.215 6.290 ( 12.485 -8.068 -3.244) 15.215 6.562 ( -4.919 7.776 -4.821) 10.388 6.562 ( 4.919 7.776 -4.821) 10.388 7.713 ( -7.094 -11.312 -8.607) 15.886 7.713 ( 7.094 -11.312 -8.607) 15.886 8.145 ( -4.997 2.979 -5.040) 7.697 8.145 ( 4.997 2.979 -5.040) 7.697 8.373 ( -3.347 -1.606 -0.312) 3.726 8.373 ( 3.347 -1.606 -0.312) 3.726 8.597 ( -5.091 8.518 0.587) 9.940 8.597 ( 5.091 8.518 0.587) 9.940 9.436 ( -4.379 -1.150 1.121) 4.664 9.436 ( 4.379 -1.150 1.121) 4.664 9.611 ( -3.511 3.798 -0.169) 5.174 9.611 ( 3.511 3.798 -0.169) 5.174 9.810 ( -2.606 -11.513 -1.079) 11.854 9.810 ( 2.606 -11.513 -1.079) 11.854 10.273 ( -4.441 5.625 -5.961) 9.321 10.273 ( 4.441 5.625 -5.961) 9.321 10.596 ( -3.955 6.540 1.632) 7.815 10.596 ( 3.955 6.540 1.632) 7.815 11.418 ( -0.307 -10.279 1.910) 10.459 11.418 ( 0.307 -10.279 1.910) 10.459 12.302 ( -4.225 6.835 -6.652) 10.431 12.302 ( 4.225 6.835 -6.652) 10.431 13.222 ( -8.966 8.133 10.053) 15.735 13.222 ( 8.966 8.133 10.053) 15.735 14.603 ( -1.363 -5.506 -3.961) 6.918 14.603 ( 1.363 -5.506 -3.961) 6.918 ======================= Grid point 81 (31/120) ======================= q-point: ( 0.00 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 0.000 22.569 10.880) 25.055 1.380 ( 0.000 22.165 20.858) 30.436 2.401 ( 0.000 13.527 6.494) 15.005 2.505 ( 0.000 21.337 5.339) 21.995 2.692 ( 0.000 -15.406 12.106) 19.593 3.464 ( 0.000 0.924 8.168) 8.220 3.540 ( 0.000 3.464 -8.302) 8.996 3.710 ( 0.000 -1.003 5.264) 5.359 3.725 ( 0.000 -6.138 0.325) 6.147 4.047 ( 0.000 -1.389 15.404) 15.466 4.432 ( 0.000 -4.095 7.745) 8.761 4.640 ( 0.000 -7.022 -9.479) 11.797 4.745 ( 0.000 -5.689 12.122) 13.391 4.938 ( 0.000 4.458 1.879) 4.838 5.179 ( 0.000 -21.640 4.886) 22.185 5.538 ( 0.000 -12.578 3.054) 12.943 6.369 ( 0.000 5.259 -6.043) 8.011 6.438 ( 0.000 7.049 -9.217) 11.604 6.650 ( 0.000 8.313 -7.625) 11.280 6.823 ( 0.000 -1.686 -4.864) 5.148 6.838 ( 0.000 -0.395 1.759) 1.802 6.883 ( 0.000 2.003 -2.422) 3.143 7.159 ( 0.000 -4.757 2.999) 5.623 7.221 ( 0.000 -2.106 -2.895) 3.580 7.420 ( 0.000 2.158 -0.797) 2.301 7.776 ( 0.000 -8.480 -0.007) 8.480 7.909 ( 0.000 2.939 -5.724) 6.435 8.043 ( 0.000 -0.007 -2.532) 2.532 8.845 ( 0.000 3.117 -4.430) 5.417 8.990 ( 0.000 2.385 -3.840) 4.520 9.256 ( 0.000 -1.328 8.267) 8.373 9.563 ( 0.000 -6.855 2.020) 7.147 9.617 ( 0.000 1.921 -6.329) 6.614 9.708 ( 0.000 0.835 -2.913) 3.030 9.919 ( 0.000 2.148 -4.186) 4.705 10.107 ( 0.000 5.496 5.018) 7.442 10.118 ( 0.000 2.374 10.100) 10.375 10.565 ( 0.000 -16.313 -10.256) 19.270 10.654 ( 0.000 15.539 -9.340) 18.130 10.714 ( 0.000 1.030 -2.471) 2.677 11.059 ( 0.000 3.463 4.297) 5.518 11.489 ( 0.000 11.226 6.631) 13.039 12.063 ( 0.000 -14.015 -0.695) 14.032 12.253 ( 0.000 -2.042 -6.144) 6.474 13.030 ( 0.000 16.281 8.939) 18.574 14.324 ( 0.000 -12.073 -4.422) 12.857 14.419 ( 0.000 0.008 1.119) 1.119 14.530 ( 0.000 3.758 -10.920) 11.548 ======================= Grid point 82 (32/120) ======================= q-point: ( 0.12 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 7.242 23.296 8.217) 25.743 1.546 ( 13.272 20.070 17.536) 29.774 2.519 ( 9.476 -7.040 0.514) 11.816 2.654 ( 15.973 36.052 9.927) 40.663 2.706 ( 1.915 -14.260 11.107) 18.176 3.406 ( -6.353 0.865 4.942) 8.095 3.418 ( -10.369 3.667 -1.303) 11.075 3.718 ( 1.947 -2.022 1.342) 3.111 3.770 ( 2.487 -2.403 4.114) 5.374 3.975 ( -5.505 -0.413 12.295) 13.478 4.472 ( 2.869 -3.768 8.177) 9.449 4.633 ( -0.457 -7.300 -8.289) 11.055 4.756 ( 0.781 -5.482 13.099) 14.221 5.050 ( 10.717 1.477 -1.834) 10.972 5.187 ( 1.083 -19.187 5.714) 20.049 5.549 ( 1.206 -11.703 2.414) 12.010 6.238 ( -14.168 7.397 -5.499) 16.902 6.304 ( -13.347 6.472 -5.100) 15.686 6.493 ( -15.184 6.089 1.732) 16.450 6.640 ( -1.902 7.424 -5.945) 9.699 6.761 ( -7.966 -2.690 0.056) 8.408 6.935 ( -0.314 -2.905 -7.917) 8.439 7.124 ( -0.297 -4.294 0.555) 4.340 7.333 ( 7.684 -5.417 -4.674) 10.499 7.764 ( 23.327 -1.392 -2.586) 23.511 7.890 ( 10.592 -4.736 -0.106) 11.603 7.938 ( 3.398 1.876 -6.041) 7.181 8.074 ( 3.448 -0.252 -2.378) 4.196 8.822 ( -2.365 2.830 -3.057) 4.790 8.963 ( -2.262 3.421 -4.993) 6.461 9.261 ( 0.614 -2.096 6.909) 7.246 9.475 ( -5.775 -2.869 -1.794) 6.693 9.621 ( -0.590 -4.587 1.564) 4.882 9.779 ( 3.341 -0.790 -6.267) 7.146 9.921 ( 0.744 4.335 -3.776) 5.797 10.036 ( -4.928 5.021 7.066) 9.971 10.098 ( -3.372 1.951 5.992) 7.147 10.535 ( -1.243 -3.356 -8.426) 9.155 10.674 ( -1.863 -2.237 -6.435) 7.063 10.733 ( 3.690 7.384 -6.279) 10.372 11.086 ( 2.819 2.798 4.864) 6.280 11.479 ( -1.046 11.383 7.038) 13.424 12.086 ( 2.267 -13.283 -0.152) 13.476 12.273 ( 1.800 -3.196 -5.859) 6.912 13.066 ( 3.706 16.410 8.412) 18.809 14.277 ( -9.336 5.076 -2.769) 10.981 14.369 ( -1.437 -11.390 -3.435) 11.983 14.493 ( -1.757 0.882 -5.157) 5.519 ======================= Grid point 83 (33/120) ======================= q-point: ( 0.25 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 17.726 19.021 3.251) 26.203 1.824 ( 15.556 18.005 13.279) 27.249 2.650 ( 3.205 -12.854 4.052) 13.854 2.782 ( 5.494 -9.851 1.287) 11.352 2.983 ( 6.348 23.354 6.736) 25.121 3.198 ( -11.243 6.996 1.455) 13.321 3.323 ( 7.604 10.261 9.447) 15.886 3.769 ( 1.409 -6.727 4.818) 8.393 3.842 ( 7.359 4.725 2.712) 9.156 3.891 ( -2.370 -2.893 7.896) 8.737 4.509 ( 0.692 -3.229 6.464) 7.259 4.625 ( -0.847 -8.941 -4.942) 10.251 4.772 ( 1.211 -4.402 10.489) 11.440 5.201 ( 2.897 -11.969 4.758) 13.202 5.311 ( 12.845 -3.313 -2.237) 13.453 5.588 ( 3.122 -9.510 0.660) 10.031 5.890 ( -21.861 7.669 -1.460) 23.213 6.035 ( -12.521 3.893 -0.346) 13.116 6.210 ( -15.910 4.082 1.001) 16.455 6.555 ( -11.148 -6.651 -1.119) 13.029 6.645 ( 0.528 7.823 -4.996) 9.297 6.898 ( -3.296 4.315 -7.638) 9.372 7.183 ( 5.983 -8.992 -2.232) 11.029 7.469 ( 5.999 -9.356 -5.559) 12.427 8.000 ( 4.651 3.595 -7.233) 9.321 8.051 ( 7.424 0.152 -5.237) 9.087 8.158 ( 12.569 -1.827 -0.931) 12.735 8.203 ( 10.476 -1.435 0.191) 10.575 8.750 ( -5.147 3.084 0.890) 6.066 8.936 ( -0.358 7.018 -8.016) 10.661 9.285 ( 2.151 -2.689 4.380) 5.571 9.383 ( -3.306 -5.936 -2.287) 7.169 9.605 ( -0.812 -6.047 3.958) 7.272 9.762 ( -4.190 -3.203 -4.669) 7.044 9.850 ( -7.975 2.889 4.157) 9.447 9.968 ( -7.288 3.643 2.010) 8.392 10.092 ( 6.842 3.680 -2.065) 8.039 10.526 ( -0.600 4.592 -6.574) 8.041 10.626 ( -1.943 -2.895 -4.832) 5.959 10.783 ( 0.834 2.966 -7.217) 7.847 11.162 ( 4.975 2.056 5.167) 7.462 11.451 ( -1.949 10.741 7.435) 13.207 12.140 ( 3.323 -11.756 0.718) 12.237 12.306 ( 1.203 -5.818 -4.230) 7.293 13.165 ( 6.662 17.150 6.731) 19.591 14.014 ( -15.396 14.759 -0.552) 21.335 14.383 ( 1.629 -14.138 -4.206) 14.840 14.473 ( -0.701 -3.174 -2.792) 4.285 ======================= Grid point 84 (34/120) ======================= q-point: ( 0.38 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 20.820 12.866 1.594) 24.526 2.117 ( 14.718 13.497 9.194) 21.984 2.652 ( -3.821 -5.703 5.189) 8.605 2.762 ( -13.309 1.877 -0.027) 13.441 2.883 ( -1.324 5.940 2.948) 6.762 3.004 ( -7.828 4.407 6.403) 11.031 3.745 ( 18.930 11.663 5.331) 22.865 3.782 ( 1.850 -0.719 5.580) 5.922 3.859 ( 6.304 1.832 4.410) 7.908 4.096 ( 16.250 -6.440 1.633) 17.556 4.482 ( -4.612 -1.710 3.854) 6.249 4.566 ( -5.956 -11.764 -1.815) 13.310 4.826 ( 5.168 -1.166 8.004) 9.599 5.275 ( 5.543 -5.478 6.237) 9.982 5.414 ( -21.377 6.437 1.286) 22.362 5.511 ( 0.123 1.174 0.089) 1.184 5.655 ( 2.140 -5.151 -1.418) 5.755 5.879 ( -6.313 -0.471 2.778) 6.914 5.940 ( -5.779 -3.930 -0.264) 6.993 6.325 ( -12.692 -10.514 -1.868) 16.587 6.683 ( 2.918 9.660 -5.124) 11.318 6.826 ( -4.090 8.728 -5.838) 11.269 7.322 ( 7.991 -11.545 -5.523) 15.088 7.529 ( -0.237 -12.364 -6.142) 13.808 8.098 ( 5.819 3.708 -7.965) 10.538 8.161 ( 4.799 1.140 -4.297) 6.542 8.300 ( 3.400 -0.509 -0.950) 3.567 8.383 ( 4.644 -1.430 -0.515) 4.886 8.678 ( 0.490 6.978 2.354) 7.380 8.910 ( -3.644 11.392 -5.267) 13.069 9.344 ( 4.054 0.668 2.045) 4.589 9.386 ( 4.307 -11.575 -3.170) 12.751 9.595 ( -1.737 -6.878 5.146) 8.764 9.642 ( -6.417 2.321 0.433) 6.837 9.707 ( -6.613 -6.508 0.374) 9.285 9.803 ( -8.687 2.202 1.222) 9.045 10.239 ( 7.688 4.755 -4.701) 10.189 10.474 ( -4.538 5.939 -5.428) 9.237 10.638 ( 2.785 -0.683 -4.777) 5.572 10.765 ( -2.391 1.646 -5.927) 6.599 11.259 ( 4.907 2.768 5.184) 7.656 11.405 ( -2.849 8.369 6.961) 11.252 12.206 ( 3.547 -10.554 1.047) 11.183 12.308 ( -1.045 -8.228 -1.615) 8.450 13.315 ( 9.048 17.981 4.388) 20.602 13.738 ( -13.456 17.136 1.113) 21.816 14.416 ( 1.701 -12.347 -3.922) 13.066 14.461 ( -0.682 -6.796 -2.948) 7.439 ======================= Grid point 85 (35/120) ======================= q-point: (-0.50 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -8.888 6.509 3.558) 11.577 2.254 ( 8.888 6.509 3.558) 11.577 2.546 ( -2.678 10.125 3.577) 11.067 2.546 ( 2.678 10.125 3.577) 11.067 2.909 ( -3.142 0.128 5.673) 6.487 2.909 ( 3.142 0.128 5.673) 6.487 3.791 ( -1.094 -0.155 3.230) 3.414 3.791 ( 1.094 -0.155 3.230) 3.414 4.258 ( -17.959 0.694 3.236) 18.262 4.258 ( 17.959 0.694 3.236) 18.262 4.398 ( -11.783 -7.239 -1.325) 13.892 4.398 ( 11.783 -7.239 -1.325) 13.892 5.011 ( -15.986 4.364 8.012) 18.406 5.011 ( 15.986 4.364 8.012) 18.406 5.419 ( -8.912 0.658 3.636) 9.647 5.419 ( 8.912 0.658 3.636) 9.647 5.721 ( -6.304 -1.952 0.421) 6.613 5.721 ( 6.304 -1.952 0.421) 6.613 6.082 ( -12.450 -11.555 -2.210) 17.129 6.082 ( 12.450 -11.555 -2.210) 17.129 6.749 ( -3.911 10.149 -5.041) 11.988 6.749 ( 3.911 10.149 -5.041) 11.988 7.462 ( -6.193 -12.655 -6.909) 15.692 7.462 ( 6.193 -12.655 -6.909) 15.692 8.194 ( -2.642 2.371 -5.034) 6.160 8.194 ( 2.642 2.371 -5.034) 6.160 8.353 ( -3.914 -1.107 -1.456) 4.321 8.353 ( 3.914 -1.107 -1.456) 4.321 8.791 ( -8.144 10.369 -0.426) 13.192 8.791 ( 8.144 10.369 -0.426) 13.192 9.450 ( -5.990 1.069 -0.989) 6.164 9.450 ( 5.990 1.069 -0.989) 6.164 9.535 ( -7.034 -10.018 2.366) 12.467 9.535 ( 7.034 -10.018 2.366) 12.467 9.681 ( -3.992 -1.396 0.998) 4.346 9.681 ( 3.992 -1.396 0.998) 4.346 10.371 ( -6.221 5.135 -5.100) 9.544 10.371 ( 6.221 5.135 -5.100) 9.544 10.704 ( -3.737 1.141 -5.013) 6.356 10.704 ( 3.737 1.141 -5.013) 6.356 11.342 ( -3.842 5.186 5.921) 8.759 11.342 ( 3.842 5.186 5.921) 8.759 12.269 ( -2.876 -9.647 0.358) 10.072 12.269 ( 2.876 -9.647 0.358) 10.072 13.506 ( -11.119 18.002 2.450) 21.300 13.506 ( 11.119 18.002 2.450) 21.300 14.444 ( -1.163 -9.878 -3.462) 10.531 14.444 ( 1.163 -9.878 -3.462) 10.531 ======================= Grid point 90 (36/120) ======================= q-point: ( 0.00 0.43 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 0.000 21.782 4.807) 22.306 1.851 ( 0.000 23.234 15.221) 27.776 2.131 ( 0.000 -17.832 1.185) 17.871 2.316 ( 0.000 -21.004 13.157) 24.784 3.293 ( 0.000 28.601 5.757) 29.175 3.506 ( 0.000 4.787 1.464) 5.006 3.517 ( 0.000 -4.426 -3.268) 5.501 3.652 ( 0.000 -3.236 -0.686) 3.308 3.752 ( 0.000 6.413 9.802) 11.713 3.961 ( 0.000 -8.420 13.078) 15.554 4.424 ( 0.000 4.454 3.232) 5.503 4.567 ( 0.000 -0.238 0.248) 0.343 4.635 ( 0.000 -4.734 6.795) 8.282 4.707 ( 0.000 -21.450 3.605) 21.751 5.076 ( 0.000 8.842 3.749) 9.604 5.288 ( 0.000 -11.586 3.980) 12.251 6.463 ( 0.000 3.950 -6.320) 7.453 6.513 ( 0.000 0.007 -6.927) 6.927 6.762 ( 0.000 2.483 -7.078) 7.501 6.786 ( 0.000 -1.186 -5.763) 5.884 6.842 ( 0.000 1.218 0.974) 1.559 6.877 ( 0.000 -1.621 -0.788) 1.802 7.148 ( 0.000 1.860 -0.891) 2.062 7.185 ( 0.000 -1.590 -3.021) 3.413 7.478 ( 0.000 4.129 0.765) 4.199 7.602 ( 0.000 -7.827 1.513) 7.972 7.978 ( 0.000 3.321 -7.597) 8.291 8.030 ( 0.000 -1.546 -5.634) 5.842 8.911 ( 0.000 3.520 2.117) 4.108 8.980 ( 0.000 -2.743 2.051) 3.425 9.297 ( 0.000 4.764 4.053) 6.255 9.420 ( 0.000 -6.861 3.005) 7.490 9.685 ( 0.000 3.420 -7.012) 7.801 9.720 ( 0.000 -0.128 -5.224) 5.225 9.998 ( 0.000 6.815 -5.179) 8.560 10.161 ( 0.000 -0.589 3.464) 3.514 10.182 ( 0.000 1.712 4.196) 4.531 10.239 ( 0.000 -12.151 -6.130) 13.609 10.780 ( 0.000 3.600 -3.924) 5.325 10.824 ( 0.000 0.690 -7.170) 7.204 11.285 ( 0.000 18.512 1.143) 18.547 11.699 ( 0.000 -20.198 -1.208) 20.234 11.767 ( 0.000 15.217 7.736) 17.070 12.072 ( 0.000 -13.492 4.561) 14.242 13.468 ( 0.000 23.926 0.043) 23.926 13.945 ( 0.000 -21.873 -3.284) 22.118 14.489 ( 0.000 3.754 -1.210) 3.944 14.546 ( 0.000 -1.456 -4.947) 5.157 ======================= Grid point 91 (37/120) ======================= q-point: ( 0.12 0.43 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 6.274 22.914 4.041) 24.098 1.961 ( 10.189 20.129 13.061) 26.069 2.209 ( 6.888 -18.603 1.033) 19.864 2.367 ( 5.734 -18.497 11.288) 22.415 3.375 ( 6.794 19.070 3.632) 20.567 3.465 ( -4.496 5.453 1.793) 7.291 3.493 ( -0.697 7.553 0.551) 7.605 3.652 ( -0.819 -1.064 4.480) 4.677 3.738 ( -0.891 -0.852 5.365) 5.504 3.913 ( -3.217 -7.361 10.463) 13.192 4.445 ( 1.310 2.151 2.198) 3.343 4.559 ( -1.484 -2.879 2.435) 4.053 4.638 ( 2.413 -3.441 5.648) 7.040 4.779 ( 5.947 -16.413 5.894) 18.426 5.143 ( 6.794 6.841 2.112) 9.870 5.321 ( 3.459 -10.255 3.083) 11.253 6.353 ( -11.849 3.957 -6.007) 13.861 6.388 ( -12.949 1.123 -6.673) 14.610 6.595 ( -16.363 4.318 2.320) 17.081 6.678 ( -12.178 -3.361 0.406) 12.640 6.768 ( -1.164 3.507 -4.935) 6.165 6.846 ( 1.882 -4.436 -6.811) 8.344 7.135 ( -0.616 3.854 -1.439) 4.160 7.230 ( 3.120 -4.873 -2.759) 6.410 7.753 ( 20.683 0.476 -1.701) 20.758 7.794 ( 16.623 -3.649 -0.713) 17.033 8.003 ( 2.568 3.312 -7.666) 8.737 8.057 ( 2.840 -1.717 -5.506) 6.428 8.887 ( -2.353 3.672 2.758) 5.160 8.961 ( -1.518 -2.937 1.695) 3.715 9.292 ( -0.259 4.458 4.213) 6.139 9.402 ( -1.784 -5.323 2.590) 6.182 9.609 ( -5.317 3.972 -4.161) 7.833 9.715 ( -2.696 -4.922 -5.734) 8.024 10.042 ( 1.867 6.914 -4.104) 8.254 10.117 ( -3.474 1.188 2.927) 4.696 10.136 ( -3.332 2.695 2.785) 5.111 10.291 ( 4.934 -12.014 -7.251) 14.875 10.753 ( -2.489 4.627 -4.434) 6.875 10.822 ( -0.617 -1.024 -6.240) 6.354 11.317 ( 3.201 18.589 1.533) 18.925 11.729 ( 2.976 -20.054 -0.536) 20.281 11.763 ( -0.535 15.580 7.757) 17.412 12.077 ( 0.303 -13.988 4.550) 14.712 13.501 ( 3.401 23.519 -0.096) 23.763 13.967 ( 2.269 -21.266 -3.265) 21.634 14.431 ( -6.494 4.425 -1.823) 8.067 14.491 ( -4.694 -1.433 -3.638) 6.109 ======================= Grid point 92 (38/120) ======================= q-point: ( 0.25 0.43 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 11.862 20.070 2.906) 23.494 2.184 ( 12.183 16.641 8.889) 22.458 2.341 ( 6.696 -16.668 4.313) 18.474 2.521 ( 8.826 -14.847 4.277) 17.795 3.330 ( -8.841 10.392 4.429) 14.345 3.365 ( -5.228 9.371 0.278) 10.734 3.588 ( -1.701 -6.063 6.211) 8.845 3.678 ( 5.040 -0.581 5.179) 7.250 3.723 ( 7.110 7.238 6.167) 11.874 3.933 ( 6.200 -1.201 3.808) 7.375 4.456 ( -0.180 -0.565 0.492) 0.770 4.516 ( -3.034 -4.452 2.625) 5.993 4.723 ( 6.127 2.742 7.678) 10.198 4.911 ( 8.057 -13.905 7.857) 17.888 5.315 ( 10.637 2.833 -0.521) 11.020 5.416 ( 6.510 -6.936 1.113) 9.577 6.035 ( -20.388 5.730 -3.602) 21.482 6.092 ( -16.842 0.641 -4.616) 17.475 6.278 ( -17.325 3.830 3.455) 18.077 6.398 ( -15.530 -7.502 1.725) 17.333 6.794 ( 3.144 6.524 -5.631) 9.174 6.918 ( 5.087 -4.666 -7.749) 10.378 7.123 ( -0.760 5.094 -1.776) 5.448 7.282 ( 1.898 -8.867 -3.338) 9.663 8.061 ( 9.037 0.970 -7.217) 11.606 8.066 ( 5.234 1.879 -8.523) 10.177 8.130 ( 14.565 -0.075 -2.073) 14.712 8.167 ( 10.741 -2.259 -1.882) 11.136 8.835 ( -2.379 5.408 4.054) 7.165 8.954 ( 1.778 -4.915 0.480) 5.249 9.295 ( 0.267 4.138 4.133) 5.854 9.362 ( -2.012 0.019 -0.507) 2.074 9.511 ( -4.448 -0.233 1.072) 4.582 9.627 ( -6.006 -8.128 -4.385) 11.017 9.935 ( -9.419 3.962 3.026) 10.657 9.990 ( -9.011 -1.121 2.330) 9.375 10.221 ( 7.748 7.950 -5.751) 12.503 10.403 ( 6.440 -9.677 -7.669) 13.926 10.691 ( -3.978 5.737 -4.792) 8.468 10.792 ( -2.541 -3.317 -5.734) 7.095 11.398 ( 5.071 18.354 2.724) 19.235 11.741 ( -2.012 16.352 7.697) 18.184 11.802 ( 4.442 -19.556 1.072) 20.082 12.074 ( -0.844 -15.179 4.645) 15.896 13.592 ( 6.065 22.326 -0.495) 23.141 14.026 ( 3.873 -19.408 -3.222) 20.051 14.260 ( -10.434 8.586 -1.959) 13.654 14.395 ( -5.256 -4.848 -2.433) 7.553 ======================= Grid point 93 (39/120) ======================= q-point: ( 0.38 0.43 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 13.436 13.721 2.713) 19.395 2.380 ( 7.433 11.110 5.338) 14.393 2.464 ( 6.065 -10.256 5.368) 13.068 2.622 ( 0.481 -10.359 1.537) 10.483 3.173 ( -6.073 17.441 5.394) 19.239 3.249 ( -6.611 16.615 3.525) 18.226 3.547 ( -0.675 -16.606 6.389) 17.805 3.631 ( -3.402 -17.296 4.069) 18.091 4.040 ( 16.615 9.998 3.029) 19.626 4.111 ( 11.435 2.412 -0.100) 11.687 4.434 ( -2.468 -2.308 -0.670) 3.445 4.439 ( -5.217 -2.551 2.232) 6.221 4.878 ( 11.072 7.587 8.596) 15.939 5.095 ( 11.756 -11.366 7.909) 18.165 5.502 ( 6.138 2.122 -1.926) 6.774 5.548 ( 0.473 -1.987 -0.398) 2.081 5.632 ( -14.803 6.698 1.754) 16.342 5.784 ( -12.822 -6.751 -1.149) 14.536 5.965 ( -14.746 4.727 2.956) 15.764 6.113 ( -14.350 -9.376 0.519) 17.149 6.874 ( 4.995 9.157 -5.561) 11.820 7.006 ( 2.164 4.630 -7.525) 9.096 7.119 ( 1.855 -4.153 -3.597) 5.799 7.284 ( -2.018 -11.587 -4.940) 12.756 8.165 ( 5.551 2.393 -7.201) 9.401 8.182 ( 5.560 0.609 -5.270) 7.685 8.300 ( 3.052 0.760 -2.240) 3.862 8.339 ( 3.536 -2.607 -2.331) 4.974 8.851 ( 5.489 9.867 2.729) 11.616 9.049 ( 7.397 -5.541 -2.350) 9.536 9.232 ( -6.609 4.837 -1.006) 8.252 9.383 ( 3.415 -0.180 -0.785) 3.509 9.447 ( -4.094 -4.569 3.468) 7.048 9.535 ( -0.274 -7.417 1.660) 7.605 9.738 ( -10.938 3.969 3.561) 12.169 9.802 ( -10.241 -1.992 2.437) 10.713 10.367 ( 7.390 7.349 -6.418) 12.240 10.524 ( 6.160 -7.390 -7.439) 12.161 10.605 ( -5.073 6.227 -5.333) 9.641 10.727 ( -4.218 -4.936 -6.050) 8.875 11.499 ( 5.479 17.852 4.424) 19.190 11.685 ( -3.818 17.010 7.224) 18.870 11.890 ( 4.657 -18.736 2.843) 19.514 12.040 ( -2.739 -16.527 4.683) 17.394 13.724 ( 7.717 20.355 -0.999) 21.792 14.057 ( -8.997 12.125 -1.926) 15.220 14.115 ( 3.586 -15.556 -2.726) 16.195 14.296 ( -5.117 -9.560 -2.488) 11.125 ======================= Grid point 94 (40/120) ======================= q-point: (-0.50 0.43 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( -6.309 8.001 3.513) 10.777 2.407 ( 6.309 8.001 3.513) 10.777 2.560 ( -4.642 -6.094 3.336) 8.355 2.560 ( 4.642 -6.094 3.336) 8.355 3.146 ( -3.054 19.794 5.223) 20.698 3.146 ( 3.054 19.794 5.223) 20.698 3.571 ( -2.694 -19.333 4.877) 20.120 3.571 ( 2.694 -19.333 4.877) 20.120 4.262 ( -4.207 4.388 -0.795) 6.131 4.262 ( 4.207 4.388 -0.795) 6.131 4.358 ( -2.976 -3.177 0.714) 4.412 4.358 ( 2.976 -3.177 0.714) 4.412 5.174 ( -20.063 10.381 6.172) 23.418 5.174 ( 20.063 10.381 6.172) 23.418 5.362 ( -15.777 -6.517 4.497) 17.653 5.362 ( 15.777 -6.517 4.497) 17.653 5.728 ( -10.453 3.122 0.459) 10.919 5.728 ( 10.453 3.122 0.459) 10.919 5.857 ( -12.394 -9.376 -0.560) 15.551 5.857 ( 12.394 -9.376 -0.560) 15.551 6.968 ( -4.461 11.268 -5.552) 13.330 6.968 ( 4.461 11.268 -5.552) 13.330 7.208 ( -5.502 -12.156 -6.182) 14.706 7.208 ( 5.502 -12.156 -6.182) 14.706 8.252 ( -1.705 3.194 -3.950) 5.358 8.252 ( 1.705 3.194 -3.950) 5.358 8.315 ( -2.749 -2.664 -2.817) 4.752 8.315 ( 2.749 -2.664 -2.817) 4.752 9.019 ( -9.982 11.826 -1.315) 15.532 9.019 ( 9.982 11.826 -1.315) 15.532 9.268 ( -9.623 -12.406 -2.593) 15.914 9.268 ( 9.623 -12.406 -2.593) 15.914 9.539 ( -9.250 4.149 4.456) 11.073 9.539 ( 9.250 4.149 4.456) 11.073 9.625 ( -7.770 -3.910 3.370) 9.329 9.625 ( 7.770 -3.910 3.370) 9.329 10.496 ( -6.222 6.871 -6.073) 11.082 10.496 ( 6.222 6.871 -6.073) 11.082 10.636 ( -5.402 -6.183 -6.735) 10.620 10.636 ( 5.402 -6.183 -6.735) 10.620 11.600 ( -5.024 17.436 6.085) 19.138 11.600 ( 5.024 17.436 6.085) 19.138 11.974 ( -4.108 -17.725 4.146) 18.662 11.974 ( 4.108 -17.725 4.146) 18.662 13.881 ( -8.830 17.545 -1.390) 19.691 13.881 ( 8.830 17.545 -1.390) 19.691 14.202 ( -4.855 -13.783 -2.770) 14.873 14.202 ( 4.855 -13.783 -2.770) 14.873 ======================= Grid point 126 (41/120) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 0.000 0.000 26.264) 26.264 1.213 ( 0.000 0.000 28.207) 28.207 2.049 ( 0.000 0.000 45.578) 45.578 2.779 ( 0.000 0.000 3.124) 3.124 3.204 ( 0.000 0.000 -6.811) 6.811 3.319 ( 0.000 0.000 16.211) 16.211 3.755 ( 0.000 0.000 15.670) 15.670 3.819 ( 0.000 0.000 2.828) 2.828 4.115 ( 0.000 0.000 9.916) 9.916 4.251 ( 0.000 0.000 9.482) 9.482 4.488 ( 0.000 0.000 -20.465) 20.465 4.785 ( 0.000 0.000 -5.307) 5.307 4.960 ( 0.000 0.000 11.993) 11.993 5.416 ( 0.000 0.000 0.617) 0.617 5.768 ( 0.000 0.000 -0.410) 0.410 5.887 ( 0.000 0.000 -15.325) 15.325 5.909 ( 0.000 0.000 3.759) 3.759 6.027 ( 0.000 0.000 3.986) 3.986 6.147 ( 0.000 0.000 -6.191) 6.191 6.678 ( 0.000 0.000 0.856) 0.856 6.868 ( 0.000 0.000 -1.054) 1.054 6.880 ( 0.000 0.000 1.726) 1.726 7.261 ( 0.000 0.000 0.468) 0.468 7.270 ( 0.000 0.000 -2.445) 2.445 7.359 ( 0.000 0.000 -8.616) 8.616 7.885 ( 0.000 0.000 -4.260) 4.260 8.082 ( 0.000 0.000 0.979) 0.979 8.104 ( 0.000 0.000 -8.954) 8.954 8.288 ( 0.000 0.000 -5.558) 5.558 8.723 ( 0.000 0.000 -7.500) 7.500 9.563 ( 0.000 0.000 3.741) 3.741 9.609 ( 0.000 0.000 -6.534) 6.534 9.615 ( 0.000 0.000 -6.477) 6.477 9.616 ( 0.000 0.000 -2.625) 2.625 9.658 ( 0.000 0.000 -3.899) 3.899 10.071 ( 0.000 0.000 6.078) 6.078 10.118 ( 0.000 0.000 1.267) 1.267 10.503 ( 0.000 0.000 -5.786) 5.786 10.606 ( 0.000 0.000 3.270) 3.270 10.894 ( 0.000 0.000 -22.299) 22.299 11.096 ( 0.000 0.000 3.404) 3.404 11.348 ( 0.000 0.000 4.368) 4.368 11.741 ( 0.000 0.000 1.316) 1.316 12.106 ( 0.000 0.000 -3.042) 3.042 13.110 ( 0.000 0.000 11.433) 11.433 14.055 ( 0.000 0.000 4.306) 4.306 14.352 ( 0.000 0.000 2.637) 2.637 14.566 ( 0.000 0.000 -7.516) 7.516 ======================= Grid point 127 (42/120) ======================= q-point: ( 0.12 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 0.770 0.000 26.686) 26.697 1.251 ( 11.504 0.000 23.400) 26.075 2.348 ( 25.617 0.000 38.717) 46.425 2.816 ( 4.162 0.000 2.021) 4.626 3.149 ( -6.012 0.000 -5.828) 8.373 3.319 ( -0.740 0.000 14.736) 14.754 3.692 ( -6.298 0.000 14.235) 15.566 3.759 ( -5.427 0.000 1.040) 5.526 4.079 ( -13.191 0.000 8.547) 15.718 4.133 ( 2.747 0.000 11.741) 12.058 4.558 ( 6.923 0.000 -16.489) 17.883 4.942 ( -2.424 0.000 10.727) 10.997 4.985 ( 15.960 0.000 -6.413) 17.200 5.290 ( -10.150 0.000 10.697) 14.746 5.734 ( -3.638 0.000 0.047) 3.639 5.897 ( -1.329 0.000 2.510) 2.840 5.899 ( 0.182 0.000 -12.210) 12.212 6.034 ( 1.071 0.000 4.563) 4.687 6.059 ( -8.889 0.000 -6.239) 10.860 6.370 ( -17.852 0.000 5.148) 18.579 6.817 ( -6.536 0.000 -6.198) 9.007 6.838 ( -4.791 0.000 0.956) 4.885 7.263 ( 7.576 0.000 -5.472) 9.345 7.319 ( -1.723 0.000 -11.293) 11.423 7.672 ( 20.543 0.000 -0.518) 20.550 7.968 ( -1.224 0.000 -9.492) 9.570 8.061 ( 9.178 0.000 2.455) 9.501 8.204 ( 6.688 0.000 -2.245) 7.054 8.285 ( 0.245 0.000 -9.892) 9.895 8.728 ( -0.747 0.000 -5.449) 5.500 9.543 ( -1.916 0.000 1.263) 2.294 9.580 ( -3.241 0.000 -3.397) 4.695 9.593 ( -1.383 0.000 -6.669) 6.811 9.634 ( 2.372 0.000 -5.148) 5.668 9.661 ( -0.309 0.000 -2.767) 2.784 10.057 ( -1.372 0.000 5.954) 6.110 10.096 ( -1.827 0.000 -0.863) 2.020 10.527 ( 1.064 0.000 -4.183) 4.316 10.540 ( -6.528 0.000 3.811) 7.558 10.776 ( -6.796 0.000 -12.627) 14.340 11.248 ( 11.490 0.000 -5.076) 12.562 11.384 ( 3.508 0.000 3.803) 5.174 11.734 ( -0.722 0.000 1.323) 1.507 12.114 ( 0.600 0.000 -4.062) 4.106 13.167 ( 5.064 0.000 10.923) 12.040 13.953 ( -9.117 0.000 8.378) 12.382 14.389 ( 3.071 0.000 -0.389) 3.096 14.567 ( 0.140 0.000 -7.517) 7.518 ======================= Grid point 128 (43/120) ======================= q-point: ( 0.25 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 17.649 0.000 16.089) 23.882 1.538 ( 17.888 0.000 17.902) 25.307 2.777 ( 11.719 0.000 20.646) 23.740 2.954 ( 8.910 0.000 2.880) 9.363 2.966 ( -13.370 0.000 -1.964) 13.513 3.315 ( 6.015 0.000 15.660) 16.776 3.549 ( -7.227 0.000 13.628) 15.426 3.655 ( -4.578 0.000 -0.603) 4.617 3.852 ( -10.030 0.000 6.428) 11.913 4.250 ( 9.609 0.000 13.220) 16.343 4.723 ( 9.964 0.000 -10.574) 14.529 4.853 ( -6.317 0.000 10.601) 12.340 5.147 ( -4.420 0.000 14.635) 15.288 5.275 ( 12.508 0.000 -7.491) 14.580 5.637 ( -5.538 0.000 -0.227) 5.543 5.800 ( -13.320 0.000 4.828) 14.168 5.851 ( -11.573 0.000 -9.490) 14.966 5.864 ( -1.973 0.000 -0.088) 1.975 6.077 ( 3.579 0.000 4.624) 5.847 6.166 ( -2.801 0.000 -1.071) 2.999 6.664 ( -9.002 0.000 -5.887) 10.756 6.701 ( -9.096 0.000 -2.932) 9.557 7.344 ( 4.175 0.000 -12.264) 12.955 7.466 ( 13.144 0.000 -8.083) 15.431 7.878 ( -5.991 0.000 -10.422) 12.022 7.935 ( 8.509 0.000 1.252) 8.600 8.299 ( 0.401 0.000 -13.972) 13.978 8.319 ( 14.319 0.000 4.080) 14.889 8.349 ( 8.433 0.000 1.197) 8.518 8.656 ( -6.941 0.000 -2.021) 7.229 9.503 ( -1.923 0.000 -0.094) 1.925 9.507 ( -4.158 0.000 -3.639) 5.525 9.559 ( -2.056 0.000 -6.835) 7.137 9.636 ( -2.433 0.000 -1.586) 2.904 9.716 ( 5.881 0.000 -6.584) 8.828 10.030 ( -1.196 0.000 5.540) 5.668 10.060 ( -1.983 0.000 -4.564) 4.977 10.383 ( -9.447 0.000 4.668) 10.538 10.512 ( -1.667 0.000 -3.320) 3.715 10.697 ( -2.516 0.000 -5.724) 6.252 11.464 ( 4.585 0.000 2.808) 5.377 11.486 ( 13.371 0.000 -8.090) 15.628 11.713 ( -1.521 0.000 1.347) 2.032 12.116 ( -0.763 0.000 -5.900) 5.949 13.265 ( 4.795 0.000 11.409) 12.376 13.760 ( -10.477 0.000 11.982) 15.916 14.450 ( 3.205 0.000 -3.492) 4.740 14.569 ( 0.017 0.000 -7.454) 7.454 ======================= Grid point 129 (44/120) ======================= q-point: ( 0.38 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 25.395 0.000 8.094) 26.653 1.903 ( 20.193 0.000 12.774) 23.894 2.659 ( -18.411 0.000 3.435) 18.729 2.687 ( -17.808 0.000 8.380) 19.681 3.065 ( 7.012 0.000 1.055) 7.091 3.364 ( -7.330 0.000 8.200) 10.999 3.603 ( -0.885 0.000 -0.735) 1.150 3.701 ( -6.009 0.000 3.222) 6.818 3.758 ( 27.673 0.000 20.584) 34.489 4.436 ( 5.041 0.000 11.432) 12.494 4.755 ( -0.868 0.000 8.814) 8.856 4.925 ( 11.198 0.000 -5.344) 12.408 5.076 ( -4.675 0.000 11.943) 12.826 5.332 ( -7.060 0.000 -0.510) 7.079 5.523 ( -12.684 0.000 11.284) 16.977 5.593 ( -14.029 0.000 2.075) 14.182 5.639 ( 6.278 0.000 -7.221) 9.568 5.822 ( -2.631 0.000 -2.348) 3.526 6.173 ( 6.700 0.000 1.508) 6.868 6.205 ( 5.143 0.000 -4.916) 7.115 6.491 ( -8.996 0.000 -5.466) 10.526 6.516 ( -10.093 0.000 -5.446) 11.468 7.457 ( 7.248 0.000 -12.122) 14.124 7.737 ( 14.804 0.000 -8.668) 17.155 7.751 ( -7.363 0.000 -11.479) 13.638 8.049 ( 3.470 0.000 -1.606) 3.823 8.277 ( -2.096 0.000 -10.704) 10.907 8.486 ( -10.140 0.000 -0.697) 10.164 8.508 ( 7.914 0.000 3.018) 8.469 8.550 ( 8.664 0.000 6.387) 10.764 9.444 ( -1.591 0.000 -3.189) 3.564 9.481 ( -0.352 0.000 -0.962) 1.024 9.520 ( -1.970 0.000 -5.087) 5.455 9.566 ( -4.896 0.000 -1.048) 5.007 9.834 ( 6.117 0.000 -8.814) 10.729 10.013 ( -3.180 0.000 -7.878) 8.496 10.025 ( 1.083 0.000 5.061) 5.175 10.207 ( -8.458 0.000 5.048) 9.850 10.507 ( 1.563 0.000 -1.767) 2.360 10.642 ( -3.661 0.000 -2.014) 4.179 11.549 ( 4.220 0.000 2.044) 4.689 11.676 ( -2.420 0.000 1.417) 2.804 11.738 ( 12.623 0.000 -9.040) 15.526 12.071 ( -4.300 0.000 -7.627) 8.756 13.348 ( 4.250 0.000 12.585) 13.284 13.576 ( -8.577 0.000 13.091) 15.651 14.506 ( 2.594 0.000 -5.364) 5.958 14.565 ( -0.562 0.000 -7.168) 7.190 ======================= Grid point 130 (45/120) ======================= q-point: (-0.50 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -25.290 0.000 5.935) 25.978 2.261 ( 25.290 0.000 5.935) 25.978 2.289 ( -20.263 0.000 8.215) 21.865 2.289 ( 20.263 0.000 8.215) 21.865 3.213 ( -8.137 0.000 4.488) 9.293 3.213 ( 8.137 0.000 4.488) 9.293 3.620 ( -2.618 0.000 0.659) 2.700 3.620 ( 2.618 0.000 0.659) 2.700 4.249 ( -21.362 0.000 13.014) 25.014 4.249 ( 21.362 0.000 13.014) 25.014 4.915 ( -12.233 0.000 8.687) 15.004 4.915 ( 12.233 0.000 8.687) 15.004 5.141 ( -11.367 0.000 -1.395) 11.452 5.141 ( 11.367 0.000 -1.395) 11.452 5.415 ( -2.496 0.000 11.439) 11.708 5.415 ( 2.496 0.000 11.439) 11.708 5.754 ( -4.835 0.000 -5.225) 7.119 5.754 ( 4.835 0.000 -5.225) 7.119 6.328 ( -9.384 0.000 -3.543) 10.031 6.328 ( 9.384 0.000 -3.543) 10.031 6.330 ( -7.761 0.000 -5.280) 9.387 6.330 ( 7.761 0.000 -5.280) 9.387 7.604 ( -8.017 0.000 -12.001) 14.432 7.604 ( 8.017 0.000 -12.001) 14.432 7.989 ( -10.189 0.000 -8.059) 12.991 7.989 ( 10.189 0.000 -8.059) 12.991 8.313 ( -6.855 0.000 -2.571) 7.321 8.313 ( 6.855 0.000 -2.571) 7.321 8.613 ( -2.012 0.000 5.435) 5.796 8.613 ( 2.012 0.000 5.435) 5.796 9.470 ( -4.153 0.000 -1.852) 4.547 9.470 ( 4.153 0.000 -1.852) 4.547 9.489 ( -1.150 0.000 -2.749) 2.979 9.489 ( 1.150 0.000 -2.749) 2.979 9.938 ( -4.740 0.000 -9.316) 10.453 9.938 ( 4.740 0.000 -9.316) 10.453 10.080 ( -4.802 0.000 4.969) 6.910 10.080 ( 4.802 0.000 4.969) 6.910 10.565 ( -4.034 0.000 -0.959) 4.147 10.565 ( 4.034 0.000 -0.959) 4.147 11.621 ( -3.368 0.000 1.610) 3.733 11.621 ( 3.368 0.000 1.610) 3.733 11.946 ( -8.998 0.000 -8.797) 12.583 11.946 ( 8.998 0.000 -8.797) 12.583 13.440 ( -5.818 0.000 13.196) 14.422 13.440 ( 5.818 0.000 13.196) 14.422 14.545 ( -1.553 0.000 -6.511) 6.694 14.545 ( 1.553 0.000 -6.511) 6.694 ======================= Grid point 135 (46/120) ======================= q-point: ( 0.00 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 0.000 8.929 24.461) 26.040 1.432 ( 0.000 22.020 21.853) 31.024 2.244 ( 0.000 20.211 39.215) 44.117 2.672 ( 0.000 -9.391 2.126) 9.628 3.225 ( 0.000 -4.860 10.236) 11.331 3.285 ( 0.000 3.156 0.168) 3.161 3.734 ( 0.000 -0.963 14.214) 14.247 3.842 ( 0.000 0.447 6.012) 6.029 3.947 ( 0.000 -11.854 2.712) 12.161 4.330 ( 0.000 4.559 12.993) 13.769 4.474 ( 0.000 -1.617 -13.998) 14.091 4.739 ( 0.000 -3.518 -3.900) 5.252 4.879 ( 0.000 -6.995 9.888) 12.112 5.306 ( 0.000 -6.752 13.317) 14.930 5.596 ( 0.000 -13.088 -1.113) 13.135 5.797 ( 0.000 -8.147 -2.167) 8.431 6.039 ( 0.000 9.516 -5.284) 10.885 6.125 ( 0.000 5.446 -4.538) 7.089 6.247 ( 0.000 8.700 -9.925) 13.198 6.704 ( 0.000 1.583 -2.945) 3.344 6.867 ( 0.000 -0.223 -0.177) 0.285 6.868 ( 0.000 -0.653 0.918) 1.126 7.227 ( 0.000 -2.978 -0.426) 3.008 7.242 ( 0.000 -3.218 -5.036) 5.976 7.373 ( 0.000 1.361 -3.223) 3.498 7.857 ( 0.000 -2.820 -3.348) 4.377 7.861 ( 0.000 -10.753 -5.445) 12.053 8.054 ( 0.000 -2.445 0.389) 2.476 8.531 ( 0.000 12.736 -7.409) 14.734 8.783 ( 0.000 5.378 -6.489) 8.428 9.455 ( 0.000 -7.144 -4.432) 8.407 9.547 ( 0.000 -3.696 -6.766) 7.709 9.550 ( 0.000 -2.719 3.035) 4.075 9.660 ( 0.000 2.165 -2.735) 3.489 9.751 ( 0.000 3.779 -5.755) 6.885 10.135 ( 0.000 4.874 7.583) 9.015 10.236 ( 0.000 10.871 -2.183) 11.088 10.426 ( 0.000 -7.060 0.225) 7.063 10.585 ( 0.000 -0.318 -0.061) 0.324 10.707 ( 0.000 -14.144 -12.466) 18.853 11.091 ( 0.000 -0.080 2.361) 2.363 11.434 ( 0.000 8.094 6.478) 10.367 11.874 ( 0.000 12.069 -6.356) 13.640 12.192 ( 0.000 1.239 -2.618) 2.897 13.136 ( 0.000 2.469 10.754) 11.033 14.150 ( 0.000 8.146 -2.474) 8.513 14.353 ( 0.000 -0.774 0.124) 0.784 14.494 ( 0.000 -6.112 -5.604) 8.293 ======================= Grid point 136 (47/120) ======================= q-point: ( 0.12 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 0.920 10.250 23.285) 25.457 1.527 ( 9.161 21.472 19.896) 30.672 2.500 ( 22.395 15.602 33.392) 43.127 2.724 ( 5.563 -8.195 1.121) 9.967 3.210 ( -5.762 5.473 -4.561) 9.162 3.226 ( -1.980 -8.589 14.516) 16.982 3.625 ( -9.947 -2.118 9.776) 14.107 3.846 ( 1.100 2.588 8.394) 8.852 3.952 ( -1.822 -7.113 4.348) 8.534 4.223 ( -6.276 4.603 14.166) 16.163 4.513 ( 4.342 -3.989 -13.529) 14.758 4.847 ( 1.445 -7.217 9.400) 11.939 4.943 ( 11.927 -4.005 -4.560) 13.382 5.242 ( -5.715 -3.531 15.117) 16.543 5.585 ( -1.381 -12.011 -0.201) 12.091 5.787 ( -1.346 -7.440 -1.330) 7.677 5.986 ( -4.899 5.794 -1.481) 7.731 6.103 ( -3.408 4.249 -2.452) 5.973 6.189 ( -5.331 10.028 -10.327) 15.351 6.451 ( -15.721 6.731 3.351) 17.427 6.790 ( -4.696 -2.082 -4.549) 6.861 6.825 ( -6.670 -1.594 -2.077) 7.165 7.204 ( 2.125 -4.994 -5.508) 7.733 7.294 ( 3.404 -2.562 -7.427) 8.562 7.687 ( 18.441 0.916 -2.939) 18.696 7.873 ( 2.230 -7.222 -7.013) 10.311 7.990 ( 11.143 -5.018 -0.843) 12.250 8.082 ( 4.033 -3.170 -0.641) 5.170 8.519 ( -0.309 12.207 -7.354) 14.254 8.779 ( -1.377 4.686 -4.475) 6.624 9.417 ( -3.135 -7.293 -4.049) 8.911 9.518 ( -1.560 -4.237 0.041) 4.515 9.593 ( 1.901 -1.227 -5.018) 5.504 9.662 ( 0.874 2.510 -3.486) 4.384 9.745 ( -0.633 4.100 -5.128) 6.596 10.095 ( -3.831 3.692 6.653) 8.519 10.206 ( -2.708 8.557 -1.873) 9.169 10.406 ( -2.840 -6.517 3.527) 7.936 10.589 ( -0.737 2.035 -3.439) 4.064 10.653 ( -2.566 -10.647 -11.132) 15.616 11.181 ( 7.686 -3.937 1.814) 8.824 11.441 ( 0.764 6.841 6.443) 9.428 11.894 ( 2.111 13.334 -6.636) 15.043 12.203 ( 1.065 2.113 -2.909) 3.750 13.177 ( 3.771 1.296 10.666) 11.387 14.039 ( -10.022 7.670 2.328) 12.833 14.383 ( 2.266 -1.450 -2.542) 3.701 14.497 ( 0.275 -5.969 -5.712) 8.266 ======================= Grid point 137 (48/120) ======================= q-point: ( 0.25 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 15.666 9.044 15.294) 23.688 1.758 ( 14.716 17.914 16.125) 28.239 2.822 ( 7.943 -0.137 5.739) 9.800 2.911 ( 7.550 0.888 11.912) 14.131 3.012 ( -13.317 3.046 0.644) 13.676 3.242 ( 3.477 -6.579 10.639) 12.983 3.472 ( 0.620 1.574 14.020) 14.122 3.834 ( -3.102 8.796 5.707) 10.935 3.868 ( -5.718 1.078 4.989) 7.665 4.218 ( 6.375 -2.563 14.229) 15.801 4.625 ( 6.465 -8.657 -9.306) 14.260 4.818 ( -3.059 -3.330 10.435) 11.372 5.134 ( -4.255 -2.457 14.651) 15.453 5.206 ( 12.466 -4.477 -8.005) 15.477 5.537 ( -3.903 -7.258 1.015) 8.303 5.746 ( -2.266 -6.183 -1.755) 6.815 5.822 ( -13.282 1.945 4.751) 14.240 6.016 ( -7.676 7.026 -5.483) 11.762 6.057 ( -4.270 0.674 2.388) 4.939 6.290 ( -1.931 9.373 -3.362) 10.144 6.657 ( -10.179 -3.770 -4.107) 11.605 6.680 ( -6.445 1.528 -5.169) 8.401 7.260 ( 4.458 -7.068 -8.813) 12.145 7.442 ( 10.321 -3.274 -8.425) 13.719 7.815 ( -0.282 -2.228 -8.138) 8.442 7.975 ( 5.272 1.084 -1.684) 5.640 8.163 ( 7.313 -5.556 -6.647) 11.338 8.278 ( 13.315 -3.512 2.285) 13.959 8.543 ( 2.876 10.942 -4.854) 12.311 8.708 ( -5.963 4.693 -0.976) 7.651 9.362 ( -2.236 -6.804 -3.981) 8.194 9.487 ( -1.622 -4.475 -2.019) 5.170 9.594 ( -1.049 1.695 -2.740) 3.389 9.701 ( 1.299 -0.062 -5.530) 5.681 9.735 ( 0.337 6.074 -4.197) 7.391 10.004 ( -5.459 0.292 4.706) 7.213 10.148 ( -2.933 2.861 -0.822) 4.179 10.327 ( -4.770 -0.771 2.488) 5.435 10.538 ( -2.405 -0.712 -6.709) 7.163 10.655 ( 0.443 -2.700 -6.155) 6.736 11.329 ( 7.138 -8.088 2.067) 10.983 11.460 ( 1.134 3.333 5.894) 6.865 11.955 ( 4.365 15.776 -7.193) 17.879 12.223 ( 0.712 4.439 -3.803) 5.888 13.258 ( 4.389 0.014 10.975) 11.820 13.823 ( -11.900 6.279 7.261) 15.290 14.426 ( 2.248 -2.926 -4.648) 5.935 14.502 ( 0.245 -5.803 -6.037) 8.378 ======================= Grid point 138 (49/120) ======================= q-point: ( 0.38 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 23.538 5.896 8.516) 25.717 2.064 ( 17.056 13.089 11.981) 24.612 2.705 ( -18.479 4.014 4.271) 19.386 2.737 ( -16.179 4.921 6.891) 18.262 2.998 ( 7.139 -5.703 1.514) 9.262 3.218 ( -3.910 -8.251 6.488) 11.201 3.753 ( -0.839 6.659 4.075) 7.851 3.770 ( -3.498 8.061 4.557) 9.898 3.832 ( 23.501 6.784 14.431) 28.400 4.403 ( 9.733 -4.039 10.851) 15.126 4.653 ( -4.784 -9.388 3.696) 11.166 4.805 ( 1.927 -8.780 0.703) 9.016 5.072 ( -0.968 -0.767 12.267) 12.329 5.364 ( -0.876 1.999 -0.713) 2.296 5.439 ( -3.788 -5.980 -0.573) 7.102 5.562 ( -10.538 2.860 10.269) 14.990 5.723 ( -0.003 -4.634 -3.476) 5.793 5.834 ( -7.743 6.862 -1.189) 10.415 6.075 ( 3.959 -7.818 0.762) 8.797 6.287 ( -0.787 4.862 -6.903) 8.480 6.480 ( -6.849 -1.640 -4.321) 8.262 6.560 ( -6.023 5.544 -4.717) 9.448 7.370 ( 6.829 -7.823 -10.106) 14.490 7.582 ( 0.890 -9.530 -9.861) 13.742 7.842 ( 6.522 4.194 -8.584) 11.567 8.056 ( 2.876 0.247 -4.087) 5.003 8.246 ( 1.878 -1.415 -6.461) 6.876 8.432 ( -1.399 -3.656 -0.181) 3.918 8.614 ( 3.857 7.675 1.863) 8.790 8.626 ( 1.439 6.525 2.074) 6.997 9.348 ( 0.978 -4.883 -4.434) 6.668 9.452 ( -2.274 -3.193 -3.888) 5.521 9.579 ( -0.081 3.714 -1.043) 3.859 9.674 ( -3.193 6.089 -1.795) 7.106 9.758 ( 1.233 -4.034 -3.726) 5.628 9.894 ( -5.914 -5.345 1.882) 8.191 10.124 ( 0.877 1.759 -1.356) 2.388 10.242 ( -4.125 4.145 -1.403) 6.014 10.529 ( 1.446 0.714 -4.383) 4.670 10.638 ( -2.277 -0.414 -4.415) 4.985 11.434 ( 3.815 -9.006 2.812) 10.177 11.479 ( 0.622 -1.467 4.776) 5.035 12.055 ( 5.896 15.720 -7.305) 18.310 12.218 ( -1.532 7.918 -5.151) 9.570 13.342 ( 4.785 0.335 11.315) 12.290 13.612 ( -10.013 4.149 9.697) 14.543 14.466 ( 1.822 -4.177 -5.756) 7.341 14.503 ( -0.188 -5.560 -6.318) 8.418 ======================= Grid point 139 (50/120) ======================= q-point: (-0.50 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( -19.064 2.621 6.873) 20.433 2.267 ( 19.064 2.621 6.873) 20.434 2.422 ( -12.748 10.318 7.076) 17.862 2.422 ( 12.748 10.318 7.076) 17.862 3.126 ( -5.915 -6.293 4.848) 9.904 3.126 ( 5.915 -6.293 4.848) 9.904 3.727 ( -0.376 8.059 1.277) 8.168 3.727 ( 0.376 8.059 1.277) 8.168 4.289 ( -19.890 3.428 10.045) 22.545 4.289 ( 19.890 3.428 10.045) 22.545 4.727 ( -9.617 -14.729 5.107) 18.317 4.727 ( 9.617 -14.729 5.107) 18.317 5.172 ( -10.835 1.655 7.871) 13.494 5.172 ( 10.835 1.655 7.871) 13.494 5.457 ( -2.443 2.548 5.721) 6.722 5.457 ( 2.443 2.548 5.721) 6.722 5.747 ( -2.423 -0.708 -2.839) 3.799 5.747 ( 2.423 -0.708 -2.839) 3.799 6.192 ( -7.533 -7.486 -5.223) 11.835 6.192 ( 7.533 -7.486 -5.223) 11.835 6.463 ( -3.651 7.339 -3.921) 9.086 6.463 ( 3.651 7.339 -3.921) 9.086 7.503 ( -6.754 -8.765 -10.594) 15.319 7.503 ( 6.754 -8.765 -10.594) 15.319 8.013 ( -7.901 2.040 -7.934) 11.381 8.013 ( 7.901 2.040 -7.934) 11.381 8.316 ( -6.533 -0.040 -2.450) 6.977 8.316 ( 6.533 -0.040 -2.450) 6.977 8.666 ( -0.299 4.919 3.685) 6.154 8.666 ( 0.299 4.919 3.685) 6.154 9.396 ( -3.472 -2.905 -4.417) 6.326 9.396 ( 3.472 -2.905 -4.417) 6.326 9.606 ( -3.021 6.138 -0.716) 6.878 9.606 ( 3.021 6.138 -0.716) 6.878 9.800 ( -3.615 -8.368 -0.480) 9.128 9.800 ( 3.615 -8.368 -0.480) 9.128 10.170 ( -3.410 4.322 -2.782) 6.168 10.170 ( 3.410 4.322 -2.782) 6.168 10.580 ( -3.381 0.852 -3.571) 4.991 10.580 ( 3.381 0.852 -3.571) 4.991 11.477 ( -0.958 -6.109 3.671) 7.191 11.477 ( 0.958 -6.109 3.671) 7.191 12.159 ( -4.583 12.212 -6.509) 14.578 12.159 ( 4.583 12.212 -6.509) 14.578 13.451 ( -6.953 1.949 10.911) 13.084 13.451 ( 6.953 1.949 10.911) 13.084 14.493 ( -0.994 -5.046 -6.270) 8.109 14.493 ( 0.994 -5.046 -6.270) 8.109 ======================= Grid point 144 (51/120) ======================= q-point: ( 0.00 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 0.000 14.037 16.399) 21.587 1.845 ( 0.000 18.178 21.973) 28.518 2.444 ( 0.000 -12.112 0.898) 12.145 2.852 ( 0.000 35.746 23.743) 42.913 3.005 ( 0.000 -14.922 16.355) 22.139 3.413 ( 0.000 6.299 -4.096) 7.514 3.683 ( 0.000 -5.189 12.081) 13.148 3.731 ( 0.000 -7.190 0.758) 7.229 3.854 ( 0.000 2.558 7.934) 8.336 4.373 ( 0.000 -3.390 11.818) 12.295 4.463 ( 0.000 3.681 -3.088) 4.805 4.653 ( 0.000 -5.903 11.547) 12.968 4.750 ( 0.000 -3.552 -4.323) 5.595 5.216 ( 0.000 -1.609 16.857) 16.933 5.263 ( 0.000 -19.851 3.096) 20.091 5.596 ( 0.000 -10.402 1.508) 10.510 6.219 ( 0.000 3.960 -7.564) 8.538 6.222 ( 0.000 7.545 -10.138) 12.637 6.429 ( 0.000 7.921 -12.879) 15.120 6.693 ( 0.000 -3.078 -8.190) 8.750 6.863 ( 0.000 0.288 -0.110) 0.309 6.864 ( 0.000 -0.235 0.344) 0.416 7.151 ( 0.000 -4.213 -2.960) 5.149 7.159 ( 0.000 -3.215 -2.343) 3.979 7.420 ( 0.000 3.322 0.772) 3.411 7.765 ( 0.000 0.436 -6.786) 6.800 7.769 ( 0.000 -5.649 -0.680) 5.690 7.996 ( 0.000 -3.146 -1.659) 3.556 8.753 ( 0.000 9.222 -4.483) 10.254 8.908 ( 0.000 5.702 -4.088) 7.016 9.353 ( 0.000 -2.229 -6.126) 6.519 9.475 ( 0.000 -3.291 -7.892) 8.551 9.504 ( 0.000 -1.167 1.916) 2.244 9.684 ( 0.000 -0.437 -0.738) 0.858 9.813 ( 0.000 2.782 -4.667) 5.434 10.230 ( 0.000 3.859 5.763) 6.936 10.267 ( 0.000 -9.517 -10.442) 14.128 10.410 ( 0.000 -9.677 8.600) 12.946 10.498 ( 0.000 12.738 -4.971) 13.673 10.630 ( 0.000 2.037 -5.105) 5.496 11.122 ( 0.000 4.425 2.344) 5.008 11.658 ( 0.000 13.141 8.774) 15.801 12.042 ( 0.000 -10.271 -2.411) 10.550 12.130 ( 0.000 5.316 -4.218) 6.786 13.224 ( 0.000 7.346 8.731) 11.411 14.201 ( 0.000 -14.118 -7.290) 15.889 14.320 ( 0.000 7.192 -7.941) 10.714 14.436 ( 0.000 0.595 0.410) 0.723 ======================= Grid point 145 (52/120) ======================= q-point: ( 0.12 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 2.551 16.126 15.598) 22.580 1.941 ( 8.563 17.705 19.389) 27.618 2.511 ( 6.708 -11.603 -0.184) 13.404 2.964 ( 2.522 4.087 16.458) 17.145 3.015 ( 8.430 11.518 18.390) 23.279 3.349 ( -5.540 7.243 -1.702) 9.277 3.602 ( -6.758 -1.315 9.246) 11.528 3.793 ( 4.903 -3.927 6.551) 9.076 3.877 ( 2.188 -1.711 6.047) 6.655 4.275 ( -8.100 -1.502 14.289) 16.494 4.461 ( 0.618 1.472 -5.730) 5.949 4.694 ( 1.997 -7.367 11.477) 13.784 4.852 ( 9.441 -4.454 -4.300) 11.290 5.175 ( -2.908 -4.892 12.086) 13.358 5.299 ( 3.083 -13.139 5.310) 14.503 5.605 ( 0.646 -9.694 2.391) 10.006 6.114 ( -9.254 5.909 -5.484) 12.273 6.181 ( -6.348 3.257 -6.365) 9.561 6.385 ( -5.233 8.395 -11.647) 15.281 6.584 ( -11.508 5.047 0.092) 12.566 6.740 ( -1.540 -2.970 -7.242) 7.977 6.776 ( -9.599 -2.923 -1.746) 10.185 7.100 ( -1.451 -3.537 -2.617) 4.633 7.230 ( 4.825 -3.314 -4.542) 7.409 7.698 ( 17.403 0.257 -4.044) 17.869 7.796 ( 5.045 -0.022 -5.299) 7.317 7.885 ( 9.330 -5.058 -0.818) 10.644 8.023 ( 4.125 -2.990 -2.137) 5.525 8.741 ( -0.634 9.372 -4.144) 10.267 8.894 ( -1.859 5.596 -2.748) 6.506 9.313 ( -3.292 -2.267 -6.665) 7.772 9.436 ( -2.415 -3.353 1.040) 4.261 9.563 ( 3.351 -1.641 -5.508) 6.652 9.683 ( -0.222 -1.248 -1.764) 2.172 9.820 ( 1.312 3.994 -4.713) 6.316 10.174 ( -5.322 3.229 4.854) 7.894 10.262 ( -4.246 -3.464 2.225) 5.914 10.325 ( -2.174 -8.042 -6.078) 10.312 10.517 ( -1.092 4.897 -4.781) 6.931 10.646 ( 1.710 3.153 -4.177) 5.505 11.166 ( 4.295 3.688 3.501) 6.656 11.654 ( -0.536 13.032 8.940) 15.813 12.080 ( 3.719 -10.547 -1.616) 11.300 12.150 ( 2.091 5.912 -4.334) 7.623 13.251 ( 2.672 7.222 8.342) 11.353 14.192 ( -4.389 -2.878 -4.944) 7.211 14.244 ( -3.522 -2.742 -7.211) 8.480 14.434 ( -0.563 -0.473 -1.133) 1.351 ======================= Grid point 146 (53/120) ======================= q-point: ( 0.25 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 12.739 15.926 11.212) 23.273 2.131 ( 11.022 16.448 15.681) 25.257 2.669 ( 8.912 -10.647 -1.090) 13.927 2.912 ( -4.981 -9.558 9.435) 14.324 3.141 ( -5.264 14.039 7.509) 16.769 3.254 ( -4.699 7.711 4.188) 9.954 3.596 ( 12.898 9.526 15.702) 22.442 3.845 ( 0.494 -3.157 3.700) 4.889 3.960 ( 4.930 2.731 7.949) 9.745 4.137 ( -4.193 -6.602 13.265) 15.399 4.480 ( 0.975 -2.003 -4.621) 5.130 4.713 ( -0.481 -6.893 9.211) 11.515 4.999 ( 3.132 -8.068 6.529) 10.842 5.177 ( 5.760 -1.367 -1.159) 6.032 5.375 ( 4.757 -7.003 5.234) 9.954 5.610 ( -0.311 -7.216 1.182) 7.318 5.886 ( -14.089 4.068 1.541) 14.745 6.011 ( -9.503 -0.976 -1.523) 9.674 6.199 ( -12.784 6.577 -3.716) 14.849 6.462 ( -5.405 4.202 -5.825) 8.989 6.574 ( -7.785 -1.660 -3.001) 8.507 6.729 ( -0.775 2.698 -7.028) 7.568 7.103 ( 1.979 -6.611 -5.011) 8.528 7.338 ( 5.254 -6.290 -6.289) 10.331 7.824 ( 3.764 2.466 -8.231) 9.381 7.964 ( 5.267 -1.634 -3.509) 6.536 8.088 ( 11.666 -2.077 -4.499) 12.675 8.197 ( 11.812 -4.030 -0.670) 12.498 8.747 ( 1.095 8.364 -1.859) 8.638 8.836 ( -3.540 7.385 -1.569) 8.338 9.257 ( -2.090 -3.102 -6.638) 7.620 9.394 ( -1.664 -3.775 1.106) 4.271 9.602 ( 0.952 -1.074 -3.327) 3.623 9.666 ( -1.554 -3.753 -1.934) 4.499 9.864 ( 1.706 6.345 -4.374) 7.893 10.038 ( -8.795 2.273 4.116) 9.973 10.129 ( -5.769 -1.862 5.858) 8.430 10.355 ( 2.528 -4.729 -10.647) 11.921 10.466 ( -3.134 1.512 -7.184) 7.982 10.665 ( -0.254 1.572 -5.236) 5.472 11.269 ( 6.173 3.567 5.380) 8.931 11.632 ( -1.885 12.362 9.156) 15.499 12.162 ( 4.371 -10.264 0.624) 11.174 12.204 ( 3.321 5.957 -4.622) 8.238 13.320 ( 4.556 7.579 7.218) 11.415 13.999 ( -12.330 9.887 -0.641) 15.818 14.258 ( 2.091 -12.870 -7.488) 15.036 14.414 ( -1.442 -3.202 -2.685) 4.421 ======================= Grid point 147 (54/120) ======================= q-point: ( 0.38 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 19.075 12.046 7.123) 23.659 2.341 ( 10.365 12.220 11.890) 19.953 2.760 ( -7.518 -2.040 0.281) 7.795 2.792 ( -4.721 -4.848 7.301) 9.955 2.974 ( -3.823 10.636 5.280) 12.475 3.153 ( -5.252 4.020 7.702) 10.152 3.845 ( 0.116 -0.295 2.695) 2.714 3.930 ( -1.242 5.684 4.142) 7.142 3.969 ( 17.482 6.292 10.766) 21.474 4.225 ( 10.047 -13.127 9.499) 19.065 4.472 ( -2.617 -4.010 -1.581) 5.043 4.649 ( -6.712 -7.148 7.584) 12.396 5.043 ( 4.609 -1.435 11.577) 12.543 5.337 ( 8.262 -2.100 -3.938) 9.390 5.424 ( -3.724 1.066 4.101) 5.641 5.596 ( -2.182 -2.707 1.553) 3.808 5.638 ( -6.507 1.009 4.068) 7.740 5.907 ( -0.294 -7.482 0.760) 7.526 5.952 ( -12.183 3.677 0.158) 12.727 6.255 ( -12.983 -6.457 -4.483) 15.177 6.566 ( 3.048 8.304 -5.265) 10.294 6.697 ( -2.624 7.760 -5.538) 9.888 7.175 ( 5.376 -10.177 -7.789) 13.897 7.375 ( -1.862 -10.468 -7.882) 13.235 7.930 ( 7.594 4.418 -7.483) 11.540 8.060 ( 4.628 0.450 -5.452) 7.166 8.229 ( 3.545 -0.663 -4.359) 5.658 8.352 ( 2.215 -4.007 -2.050) 5.016 8.749 ( 0.688 6.872 3.452) 7.721 8.819 ( 0.857 10.150 -3.437) 10.750 9.253 ( 2.054 -5.100 -6.508) 8.520 9.375 ( -0.944 -3.794 -3.737) 5.409 9.617 ( 1.148 -1.164 0.563) 1.729 9.643 ( -0.109 -3.669 1.450) 3.946 9.808 ( -6.550 3.604 3.276) 8.163 9.856 ( -9.697 1.478 4.176) 10.661 10.128 ( 4.652 0.759 -4.369) 6.427 10.339 ( -4.454 4.453 -7.066) 9.465 10.472 ( 3.928 -5.634 -10.066) 12.186 10.633 ( -3.027 -1.054 -7.003) 7.702 11.387 ( 6.119 5.282 6.902) 10.629 11.579 ( -3.659 10.666 8.967) 14.407 12.234 ( 3.072 -6.614 1.332) 7.413 12.259 ( 2.075 1.856 -2.952) 4.057 13.424 ( 6.519 8.949 5.467) 12.348 13.768 ( -11.581 10.815 1.757) 15.942 14.302 ( 2.413 -11.425 -6.769) 13.498 14.383 ( -1.796 -6.355 -4.262) 7.860 ======================= Grid point 148 (55/120) ======================= q-point: (-0.50 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( -14.604 6.346 6.600) 17.237 2.363 ( 14.604 6.346 6.600) 17.237 2.647 ( -5.678 8.362 5.757) 11.632 2.647 ( 5.678 8.362 5.757) 11.632 3.046 ( -6.092 1.713 6.993) 9.431 3.046 ( 6.092 1.713 6.993) 9.431 3.866 ( -2.340 3.066 2.977) 4.873 3.866 ( 2.340 3.066 2.977) 4.873 4.287 ( -10.793 -7.561 0.570) 13.190 4.287 ( 10.793 -7.561 0.570) 13.190 4.480 ( -9.162 -4.214 8.749) 13.351 4.480 ( 9.162 -4.214 8.749) 13.351 5.208 ( -12.289 2.621 9.548) 15.781 5.208 ( 12.289 2.621 9.548) 15.781 5.486 ( -6.339 0.263 2.201) 6.715 5.486 ( 6.339 0.263 2.201) 6.715 5.731 ( -9.564 -0.598 -0.074) 9.583 5.731 ( 9.564 -0.598 -0.074) 9.583 6.026 ( -10.350 -8.505 -2.084) 13.557 6.026 ( 10.350 -8.505 -2.084) 13.557 6.634 ( -3.772 9.285 -5.155) 11.270 6.634 ( 3.772 9.285 -5.155) 11.270 7.290 ( -6.118 -11.361 -8.753) 15.592 7.290 ( 6.118 -11.361 -8.753) 15.592 8.068 ( -4.980 3.440 -6.736) 9.055 8.068 ( 4.980 3.440 -6.736) 9.055 8.298 ( -5.073 -1.909 -2.977) 6.184 8.298 ( 5.073 -1.909 -2.977) 6.184 8.801 ( -2.955 8.013 0.665) 8.566 8.801 ( 2.955 8.013 0.665) 8.566 9.325 ( -4.373 -5.148 -7.432) 10.043 9.325 ( 4.373 -5.148 -7.432) 10.043 9.661 ( -1.392 -1.971 5.306) 5.829 9.661 ( 1.392 -1.971 5.306) 5.829 9.716 ( -1.539 1.744 2.902) 3.719 9.716 ( 1.539 1.744 2.902) 3.719 10.236 ( -5.944 3.156 -7.031) 9.733 10.236 ( 5.944 3.156 -7.031) 9.733 10.559 ( -4.583 -3.467 -8.628) 10.366 10.559 ( 4.583 -3.467 -8.628) 10.366 11.495 ( -5.157 8.035 8.162) 12.561 11.495 ( 5.157 8.035 8.162) 12.561 12.272 ( -0.777 -2.599 -0.251) 2.725 12.272 ( 0.777 -2.599 -0.251) 2.725 13.571 ( -9.097 10.378 3.550) 14.250 13.571 ( 9.097 10.378 3.550) 14.250 14.346 ( -2.144 -9.183 -5.690) 11.014 14.346 ( 2.144 -9.183 -5.690) 11.014 ======================= Grid point 153 (56/120) ======================= q-point: ( 0.00 0.43 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 0.000 14.997 8.130) 17.058 2.120 ( 0.000 -5.098 5.582) 7.560 2.280 ( 0.000 10.370 16.519) 19.504 2.646 ( 0.000 -19.223 16.920) 25.609 3.483 ( 0.000 1.564 0.103) 1.568 3.495 ( 0.000 15.395 13.286) 20.335 3.580 ( 0.000 2.187 5.669) 6.076 3.691 ( 0.000 0.699 5.315) 5.361 3.973 ( 0.000 10.512 10.398) 14.786 4.235 ( 0.000 -10.072 10.404) 14.481 4.564 ( 0.000 0.205 7.660) 7.662 4.570 ( 0.000 5.176 1.897) 5.513 4.693 ( 0.000 -3.252 1.318) 3.509 4.819 ( 0.000 -20.430 6.635) 21.480 5.252 ( 0.000 4.967 11.589) 12.609 5.398 ( 0.000 -8.771 5.806) 10.518 6.291 ( 0.000 3.050 -9.762) 10.228 6.319 ( 0.000 1.374 -11.026) 11.111 6.547 ( 0.000 3.671 -12.985) 13.494 6.611 ( 0.000 -3.690 -11.061) 11.660 6.862 ( 0.000 0.074 0.715) 0.719 6.865 ( 0.000 -0.103 -0.284) 0.303 7.102 ( 0.000 -0.758 -3.105) 3.196 7.110 ( 0.000 -1.448 -3.638) 3.915 7.511 ( 0.000 5.530 2.352) 6.009 7.639 ( 0.000 -6.702 1.849) 6.952 7.826 ( 0.000 4.538 -6.153) 7.646 7.921 ( 0.000 -4.283 -4.226) 6.017 8.908 ( 0.000 5.740 -2.322) 6.192 8.972 ( 0.000 -0.075 -2.285) 2.287 9.358 ( 0.000 1.916 -4.450) 4.845 9.410 ( 0.000 -2.994 -6.002) 6.707 9.530 ( 0.000 3.968 -3.291) 5.155 9.631 ( 0.000 -4.548 -2.170) 5.039 9.887 ( 0.000 5.118 -3.978) 6.482 10.043 ( 0.000 -10.203 -8.616) 13.355 10.285 ( 0.000 1.710 5.147) 5.424 10.315 ( 0.000 -1.785 7.979) 8.176 10.669 ( 0.000 3.283 -6.756) 7.512 10.673 ( 0.000 1.694 -5.785) 6.028 11.329 ( 0.000 15.928 3.033) 16.214 11.707 ( 0.000 -19.116 1.916) 19.211 11.936 ( 0.000 13.099 7.664) 15.177 12.144 ( 0.000 -5.798 1.657) 6.030 13.475 ( 0.000 16.734 0.728) 16.750 13.853 ( 0.000 -18.895 -5.224) 19.603 14.424 ( 0.000 2.987 -6.219) 6.899 14.450 ( 0.000 0.103 -2.537) 2.539 ======================= Grid point 154 (57/120) ======================= q-point: ( 0.12 0.43 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 5.006 16.776 7.756) 19.148 2.188 ( 6.706 -5.706 4.864) 10.059 2.343 ( 6.128 7.998 14.689) 17.813 2.657 ( 1.154 -16.968 15.195) 22.806 3.438 ( -1.664 5.990 2.383) 6.658 3.523 ( -3.944 -1.129 4.267) 5.920 3.616 ( 8.299 15.050 10.760) 20.277 3.765 ( 5.817 -1.010 7.501) 9.546 3.909 ( -5.529 8.829 9.761) 14.276 4.164 ( -6.346 -9.227 10.979) 15.683 4.525 ( -1.437 2.378 4.963) 5.688 4.603 ( 0.123 -1.348 1.366) 1.922 4.758 ( 6.268 -3.294 6.012) 9.289 4.883 ( 6.390 -14.806 4.436) 16.725 5.272 ( 2.405 4.880 9.484) 10.933 5.415 ( 1.716 -8.545 5.433) 10.270 6.205 ( -9.040 2.876 -7.678) 12.204 6.228 ( -9.294 0.835 -8.506) 12.627 6.522 ( -4.635 5.188 -11.082) 13.085 6.611 ( -3.482 -3.127 -8.840) 10.002 6.695 ( -7.658 0.373 -2.706) 8.130 6.725 ( -9.674 -1.986 0.268) 9.880 7.096 ( -0.527 2.462 -2.168) 3.323 7.162 ( 2.818 -3.424 -3.339) 5.551 7.711 ( 15.077 1.532 -2.018) 15.289 7.769 ( 9.820 -3.858 -1.413) 10.645 7.866 ( 5.569 3.820 -4.510) 8.121 7.953 ( 4.289 -4.020 -3.993) 7.106 8.897 ( -0.876 5.721 -1.686) 6.028 8.960 ( -1.142 0.028 -1.527) 1.907 9.328 ( -2.962 2.898 -7.060) 8.187 9.384 ( -2.346 -2.166 -2.868) 4.292 9.545 ( 1.096 0.907 -2.155) 2.582 9.614 ( -1.727 -4.695 -1.185) 5.141 9.922 ( 3.613 6.190 -5.263) 8.892 10.083 ( 3.798 -9.627 -9.021) 13.729 10.228 ( -5.609 1.313 4.295) 7.185 10.246 ( -6.506 -0.899 7.066) 9.647 10.632 ( -2.792 4.262 -6.304) 8.106 10.684 ( -0.369 -0.445 -6.524) 6.549 11.373 ( 4.437 16.072 3.770) 17.094 11.749 ( 4.276 -18.932 2.452) 19.563 11.935 ( -0.290 13.444 7.904) 15.598 12.154 ( 0.883 -6.533 2.202) 6.950 13.502 ( 2.838 16.700 0.333) 16.943 13.875 ( 2.277 -18.451 -5.262) 19.321 14.356 ( -6.537 4.733 -5.046) 9.518 14.419 ( -3.350 -1.576 -3.083) 4.818 ======================= Grid point 155 (58/120) ======================= q-point: ( 0.25 0.43 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 10.569 17.393 6.421) 21.342 2.346 ( 9.210 -5.170 4.402) 11.443 2.484 ( 7.951 2.807 11.316) 14.112 2.686 ( 1.647 -11.357 10.728) 15.709 3.406 ( -2.327 9.420 3.300) 10.249 3.429 ( -5.774 6.945 4.975) 10.311 3.718 ( -1.583 -0.473 7.538) 7.717 3.841 ( -0.240 -11.160 8.052) 13.764 3.900 ( 8.988 11.819 10.833) 18.380 4.071 ( -0.320 -2.155 8.197) 8.482 4.495 ( -2.071 1.151 3.405) 4.148 4.579 ( -2.505 -5.491 2.718) 6.619 4.898 ( 8.260 1.009 8.089) 11.606 5.041 ( 9.809 -9.966 3.079) 14.318 5.352 ( 6.098 3.575 5.025) 8.673 5.462 ( 3.324 -6.717 3.293) 8.186 5.967 ( -14.946 3.180 -2.487) 15.481 6.002 ( -13.412 -0.475 -3.806) 13.950 6.304 ( -14.772 4.312 -1.917) 15.508 6.401 ( -14.975 -5.334 -2.390) 16.075 6.652 ( 2.764 5.080 -6.744) 8.884 6.738 ( 4.833 -2.687 -8.083) 9.793 7.069 ( -2.313 3.859 -2.975) 5.394 7.198 ( 0.376 -7.242 -4.230) 8.395 7.883 ( 5.902 2.709 -7.451) 9.884 7.928 ( 6.927 -1.839 -5.457) 9.008 8.073 ( 12.413 0.875 -3.046) 12.811 8.121 ( 11.407 -3.324 -2.288) 12.100 8.885 ( -0.394 5.266 0.279) 5.288 8.941 ( -0.059 0.988 -1.296) 1.631 9.256 ( -4.489 3.330 -7.811) 9.605 9.336 ( -2.489 -2.906 -3.436) 5.143 9.560 ( 0.176 -1.863 0.340) 1.902 9.578 ( -0.958 -3.504 3.018) 4.723 9.989 ( -0.135 5.635 -2.062) 6.002 10.062 ( -8.789 -0.809 4.038) 9.706 10.120 ( -3.042 1.283 0.755) 3.387 10.200 ( 5.475 -6.853 -10.547) 13.718 10.560 ( -4.777 5.089 -7.097) 9.955 10.650 ( -3.245 -3.150 -7.528) 8.782 11.485 ( 6.996 16.212 5.413) 18.468 11.854 ( 6.320 -18.039 3.770) 19.482 11.917 ( -1.839 14.192 8.418) 16.603 12.166 ( 0.087 -8.635 3.574) 9.346 13.579 ( 5.168 16.562 -0.666) 17.363 13.936 ( 3.978 -17.105 -5.275) 18.337 14.198 ( -9.558 8.066 -3.812) 13.075 14.333 ( -5.357 -5.089 -3.412) 8.138 ======================= Grid point 156 (59/120) ======================= q-point: ( 0.38 0.43 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 13.292 13.726 5.339) 19.839 2.509 ( 7.068 -1.178 5.872) 9.264 2.605 ( 3.735 -3.261 7.674) 9.136 2.697 ( -1.213 -5.483 6.397) 8.512 3.306 ( -4.893 18.152 6.509) 19.895 3.358 ( -3.738 13.851 6.819) 15.885 3.675 ( -1.060 -12.909 5.565) 14.097 3.768 ( -5.096 -18.682 8.068) 20.978 4.108 ( 10.600 7.108 3.366) 13.199 4.169 ( 7.896 3.615 5.389) 10.220 4.439 ( -3.703 -1.151 1.652) 4.215 4.506 ( -5.160 -6.037 3.717) 8.768 5.076 ( 10.817 5.903 8.870) 15.183 5.241 ( 10.972 -7.941 3.505) 13.990 5.475 ( 3.091 3.687 1.181) 4.954 5.535 ( 3.562 -2.372 -0.666) 4.331 5.694 ( -11.251 3.172 3.747) 12.276 5.777 ( -7.002 -5.127 1.011) 8.737 6.016 ( -15.228 3.445 1.335) 15.670 6.115 ( -14.690 -6.274 -0.266) 15.976 6.735 ( 5.418 7.861 -6.926) 11.795 6.839 ( 4.600 2.131 -7.591) 9.128 7.018 ( -2.116 -1.221 -5.318) 5.853 7.161 ( -4.230 -10.290 -6.118) 12.697 8.016 ( 8.025 3.719 -6.435) 10.939 8.065 ( 7.644 -0.748 -5.494) 9.443 8.224 ( 2.707 0.873 -4.208) 5.079 8.274 ( 2.900 -3.510 -3.530) 5.760 8.896 ( 2.603 7.144 1.072) 7.679 8.983 ( 3.909 2.462 -3.608) 5.862 9.166 ( -4.337 0.194 -4.960) 6.592 9.279 ( -4.178 -6.505 -7.097) 10.495 9.567 ( 2.504 0.133 6.321) 6.800 9.607 ( 3.341 -2.416 3.743) 5.568 9.854 ( -9.889 1.652 6.693) 12.055 9.878 ( -9.837 -0.302 4.529) 10.834 10.194 ( 6.811 5.355 -9.317) 12.723 10.321 ( 6.687 -6.507 -11.227) 14.598 10.456 ( -6.087 5.106 -8.341) 11.520 10.566 ( -5.391 -5.015 -8.945) 11.586 11.624 ( 7.404 16.176 7.123) 19.163 11.858 ( -4.270 15.242 8.697) 18.061 11.976 ( 6.213 -16.591 5.130) 18.444 12.147 ( -2.230 -11.510 5.014) 12.751 13.694 ( 6.927 15.988 -1.759) 17.512 14.002 ( -5.007 4.361 -3.171) 7.358 14.032 ( 0.335 -7.928 -5.010) 9.384 14.227 ( -5.669 -9.084 -4.038) 11.444 ======================= Grid point 157 (60/120) ======================= q-point: (-0.50 0.43 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -8.879 7.595 6.068) 13.166 2.509 ( 8.879 7.595 6.068) 13.166 2.652 ( -3.074 -5.511 5.260) 8.215 2.652 ( 3.074 -5.511 5.260) 8.215 3.286 ( -2.652 18.820 7.762) 20.530 3.286 ( 2.652 18.820 7.762) 20.530 3.692 ( -2.694 -18.397 5.997) 19.536 3.692 ( 2.694 -18.397 5.997) 19.536 4.255 ( -2.856 6.274 0.510) 6.913 4.255 ( 2.856 6.274 0.510) 6.913 4.405 ( -3.340 -6.190 3.815) 8.001 4.405 ( 3.340 -6.190 3.815) 8.001 5.311 ( -13.458 7.218 5.418) 16.204 5.311 ( 13.458 7.218 5.418) 16.204 5.448 ( -10.531 -4.702 2.767) 11.861 5.448 ( 10.531 -4.702 2.767) 11.861 5.749 ( -12.152 3.122 1.691) 12.660 5.749 ( 12.152 3.122 1.691) 12.660 5.860 ( -11.564 -7.288 1.837) 13.792 5.860 ( 11.564 -7.288 1.837) 13.792 6.836 ( -4.434 10.389 -6.302) 12.935 6.836 ( 4.434 10.389 -6.302) 12.935 7.057 ( -5.655 -11.208 -7.399) 14.572 7.057 ( 5.655 -11.208 -7.399) 14.572 8.151 ( -3.683 4.410 -5.325) 7.834 8.151 ( 3.683 4.410 -5.325) 7.834 8.238 ( -3.889 -3.835 -4.056) 6.803 8.238 ( 3.889 -3.835 -4.056) 6.803 8.983 ( -4.949 9.504 -2.265) 10.952 8.983 ( 4.949 9.504 -2.265) 10.952 9.175 ( -5.640 -8.931 -5.532) 11.924 9.175 ( 5.640 -8.931 -5.532) 11.924 9.668 ( -6.113 2.149 6.509) 9.184 9.668 ( 6.113 2.149 6.509) 9.184 9.716 ( -5.251 -1.838 5.173) 7.597 9.716 ( 5.251 -1.838 5.173) 7.597 10.326 ( -6.842 5.653 -9.623) 13.091 10.326 ( 6.842 5.653 -9.623) 13.091 10.453 ( -6.394 -6.238 -10.178) 13.542 10.453 ( 6.394 -6.238 -10.178) 13.542 11.757 ( -6.352 15.893 8.325) 19.033 11.757 ( 6.352 15.893 8.325) 19.033 12.081 ( -4.667 -14.324 5.648) 16.089 12.081 ( 4.667 -14.324 5.648) 16.089 13.840 ( -8.369 14.470 -2.476) 16.898 13.840 ( 8.369 14.470 -2.476) 16.898 14.122 ( -5.365 -12.628 -4.771) 14.526 14.122 ( 5.365 -12.628 -4.771) 14.526 ======================= Grid point 189 (61/120) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 0.000 0.000 24.509) 24.509 1.783 ( 0.000 0.000 26.327) 26.327 2.822 ( 0.000 0.000 7.229) 7.229 2.956 ( 0.000 0.000 34.839) 34.839 3.108 ( 0.000 0.000 -2.662) 2.662 3.643 ( 0.000 0.000 13.847) 13.847 3.848 ( 0.000 0.000 -0.872) 0.872 4.068 ( 0.000 0.000 -18.544) 18.544 4.071 ( 0.000 0.000 13.177) 13.177 4.308 ( 0.000 0.000 7.747) 7.747 4.449 ( 0.000 0.000 9.316) 9.316 4.713 ( 0.000 0.000 -0.439) 0.439 5.131 ( 0.000 0.000 3.334) 3.334 5.447 ( 0.000 0.000 2.883) 2.883 5.601 ( 0.000 0.000 -10.954) 10.954 5.699 ( 0.000 0.000 -5.808) 5.808 5.962 ( 0.000 0.000 0.488) 0.488 5.997 ( 0.000 0.000 -8.245) 8.245 6.108 ( 0.000 0.000 3.511) 3.511 6.690 ( 0.000 0.000 -0.223) 0.223 6.805 ( 0.000 0.000 -4.384) 4.384 6.947 ( 0.000 0.000 3.110) 3.110 7.035 ( 0.000 0.000 -19.078) 19.078 7.291 ( 0.000 0.000 5.473) 5.473 7.325 ( 0.000 0.000 5.359) 5.359 7.785 ( 0.000 0.000 -5.514) 5.514 8.025 ( 0.000 0.000 0.685) 0.685 8.109 ( 0.000 0.000 1.584) 1.584 8.154 ( 0.000 0.000 -6.987) 6.987 8.540 ( 0.000 0.000 -10.220) 10.220 9.391 ( 0.000 0.000 -9.780) 9.780 9.465 ( 0.000 0.000 -7.047) 7.047 9.563 ( 0.000 0.000 -2.506) 2.506 9.580 ( 0.000 0.000 -3.578) 3.578 9.679 ( 0.000 0.000 4.475) 4.475 10.175 ( 0.000 0.000 2.090) 2.090 10.201 ( 0.000 0.000 6.280) 6.280 10.342 ( 0.000 0.000 -11.340) 11.340 10.476 ( 0.000 0.000 -14.949) 14.949 10.645 ( 0.000 0.000 0.374) 0.374 11.185 ( 0.000 0.000 5.648) 5.648 11.452 ( 0.000 0.000 5.446) 5.446 11.766 ( 0.000 0.000 0.909) 0.909 12.029 ( 0.000 0.000 -4.692) 4.692 13.311 ( 0.000 0.000 8.139) 8.139 14.164 ( 0.000 0.000 5.966) 5.966 14.312 ( 0.000 0.000 -8.624) 8.624 14.465 ( 0.000 0.000 0.097) 0.097 ======================= Grid point 190 (62/120) ======================= q-point: ( 0.12 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -3.550 0.000 26.031) 26.272 1.737 ( 7.301 0.000 22.919) 24.053 2.856 ( 2.252 0.000 1.803) 2.884 3.075 ( -3.702 0.000 -1.680) 4.065 3.115 ( 14.214 0.000 33.787) 36.656 3.614 ( -2.606 0.000 13.161) 13.416 3.734 ( -7.966 0.000 -3.684) 8.777 3.971 ( -8.813 0.000 11.045) 14.130 4.129 ( -1.556 0.000 -9.114) 9.246 4.361 ( 5.345 0.000 9.247) 10.681 4.384 ( 1.902 0.000 5.910) 6.209 4.877 ( 12.552 0.000 -3.192) 12.951 5.119 ( -1.531 0.000 5.588) 5.794 5.407 ( -2.024 0.000 1.408) 2.465 5.669 ( -3.127 0.000 -5.759) 6.553 5.700 ( 6.757 0.000 -5.090) 8.460 5.923 ( -7.174 0.000 -7.135) 10.118 5.935 ( -2.833 0.000 0.285) 2.847 6.117 ( 1.073 0.000 3.163) 3.340 6.493 ( -16.966 0.000 5.682) 17.892 6.708 ( -6.684 0.000 -4.302) 7.949 6.869 ( -11.919 0.000 -3.179) 12.336 7.006 ( 2.774 0.000 -12.338) 12.646 7.200 ( 3.093 0.000 -0.018) 3.093 7.701 ( 20.203 0.000 3.609) 20.523 7.764 ( -3.467 0.000 -8.990) 9.636 8.093 ( -4.844 0.000 -8.843) 10.083 8.132 ( 10.961 0.000 3.880) 11.627 8.199 ( 8.648 0.000 0.829) 8.687 8.584 ( 2.852 0.000 -8.292) 8.769 9.394 ( 0.349 0.000 -9.203) 9.209 9.451 ( -1.280 0.000 -6.649) 6.771 9.514 ( -3.465 0.000 -2.829) 4.473 9.603 ( 0.775 0.000 -2.810) 2.914 9.666 ( -1.083 0.000 3.679) 3.835 10.095 ( -6.213 0.000 -0.728) 6.256 10.186 ( -1.470 0.000 6.322) 6.490 10.417 ( 4.023 0.000 -15.553) 16.065 10.441 ( -1.355 0.000 -7.209) 7.335 10.596 ( -5.024 0.000 1.321) 5.195 11.250 ( 6.430 0.000 3.750) 7.443 11.473 ( 2.150 0.000 4.647) 5.120 11.759 ( -0.749 0.000 0.878) 1.154 12.025 ( -0.457 0.000 -4.908) 4.929 13.359 ( 4.594 0.000 7.717) 8.981 14.110 ( -5.481 0.000 7.028) 8.912 14.320 ( 0.852 0.000 -8.656) 8.698 14.460 ( -0.533 0.000 -0.660) 0.848 ======================= Grid point 191 (63/120) ======================= q-point: ( 0.25 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 7.211 0.000 20.839) 22.052 1.928 ( 12.404 0.000 19.031) 22.716 2.918 ( 4.798 0.000 -0.257) 4.805 2.959 ( -8.721 0.000 1.007) 8.779 3.204 ( -10.427 0.000 13.794) 17.292 3.614 ( -3.994 0.000 -2.570) 4.749 3.633 ( -0.059 0.000 11.916) 11.916 3.864 ( 6.384 0.000 17.752) 18.865 3.980 ( -10.208 0.000 4.119) 11.008 4.511 ( 10.342 0.000 10.592) 14.803 4.563 ( 13.294 0.000 -3.237) 13.682 5.059 ( -5.208 0.000 9.212) 10.582 5.117 ( 12.143 0.000 -6.760) 13.897 5.390 ( -0.087 0.000 7.384) 7.384 5.579 ( -6.301 0.000 -5.335) 8.257 5.668 ( -10.301 0.000 -5.279) 11.575 5.861 ( -4.699 0.000 -0.886) 4.782 5.870 ( 1.498 0.000 1.522) 2.136 6.146 ( 1.853 0.000 2.032) 2.750 6.225 ( -9.354 0.000 5.083) 10.646 6.565 ( -8.242 0.000 -3.314) 8.883 6.610 ( -13.678 0.000 -7.539) 15.618 7.095 ( 6.004 0.000 -8.811) 10.662 7.336 ( 10.427 0.000 -3.943) 11.148 7.664 ( -6.503 0.000 -9.827) 11.784 7.969 ( 3.252 0.000 0.249) 3.261 8.045 ( 4.635 0.000 -8.526) 9.704 8.346 ( 10.853 0.000 1.181) 10.917 8.430 ( 14.123 0.000 3.744) 14.611 8.588 ( -3.185 0.000 -4.637) 5.625 9.399 ( -0.085 0.000 -7.184) 7.184 9.427 ( -0.914 0.000 -5.990) 6.059 9.444 ( -3.611 0.000 -2.218) 4.238 9.599 ( -1.384 0.000 -2.060) 2.482 9.658 ( 0.797 0.000 0.421) 0.901 9.975 ( -6.225 0.000 -4.284) 7.557 10.154 ( -1.530 0.000 6.316) 6.499 10.399 ( -0.349 0.000 -9.499) 9.506 10.468 ( -7.971 0.000 3.239) 8.604 10.508 ( 2.757 0.000 -8.991) 9.405 11.410 ( 9.998 0.000 0.350) 10.004 11.526 ( 3.228 0.000 3.092) 4.470 11.737 ( -1.537 0.000 0.817) 1.740 12.003 ( -2.107 0.000 -5.379) 5.777 13.462 ( 5.756 0.000 7.635) 9.562 13.975 ( -8.188 0.000 8.904) 12.096 14.343 ( 1.496 0.000 -8.509) 8.639 14.447 ( -0.860 0.000 -2.565) 2.705 ======================= Grid point 192 (64/120) ======================= q-point: ( 0.38 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 18.575 0.000 12.996) 22.670 2.190 ( 14.860 0.000 14.283) 20.611 2.748 ( -13.144 0.000 4.883) 14.021 2.859 ( -22.601 0.000 7.568) 23.835 3.047 ( 8.696 0.000 -2.175) 8.964 3.471 ( -11.881 0.000 2.118) 12.068 3.591 ( 1.432 0.000 0.313) 1.466 3.797 ( -8.681 0.000 5.326) 10.184 4.201 ( 21.125 0.000 20.880) 29.703 4.706 ( 5.870 0.000 12.568) 13.871 4.833 ( 14.640 0.000 -3.179) 14.981 4.945 ( -2.868 0.000 9.387) 9.816 5.274 ( -0.331 0.000 -4.824) 4.836 5.339 ( -8.766 0.000 11.294) 14.297 5.481 ( 0.625 0.000 -7.730) 7.755 5.531 ( 0.038 0.000 -1.585) 1.585 5.757 ( -6.542 0.000 -4.438) 7.905 5.800 ( -8.410 0.000 10.908) 13.774 6.177 ( 3.030 0.000 0.684) 3.107 6.187 ( 2.543 0.000 -0.018) 2.543 6.386 ( -9.488 0.000 -6.809) 11.678 6.410 ( -7.833 0.000 -1.979) 8.080 7.224 ( 7.482 0.000 -9.352) 11.977 7.527 ( -7.843 0.000 -10.067) 12.761 7.568 ( 13.195 0.000 -6.936) 14.907 7.931 ( -4.165 0.000 -9.499) 10.372 8.172 ( 6.104 0.000 0.625) 6.135 8.470 ( -8.520 0.000 -1.198) 8.604 8.546 ( 9.822 0.000 1.382) 9.919 8.653 ( 7.762 0.000 3.182) 8.388 9.395 ( -0.041 0.000 -5.443) 5.443 9.399 ( -0.338 0.000 -1.068) 1.120 9.414 ( -0.707 0.000 -4.876) 4.927 9.545 ( -4.312 0.000 -1.052) 4.438 9.701 ( 3.472 0.000 -3.848) 5.182 9.866 ( -5.161 0.000 -6.318) 8.158 10.143 ( 0.745 0.000 6.078) 6.123 10.314 ( -7.778 0.000 4.838) 9.160 10.422 ( 2.478 0.000 -7.003) 7.428 10.522 ( -1.091 0.000 -8.441) 8.511 11.590 ( 3.369 0.000 1.820) 3.829 11.612 ( 10.848 0.000 -2.882) 11.224 11.701 ( -2.319 0.000 0.835) 2.465 11.936 ( -5.244 0.000 -5.619) 7.686 13.569 ( 5.612 0.000 8.616) 10.283 13.818 ( -7.970 0.000 9.977) 12.769 14.374 ( 1.684 0.000 -7.934) 8.111 14.428 ( -1.104 0.000 -4.822) 4.947 ======================= Grid point 193 (65/120) ======================= q-point: (-0.50 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -23.812 0.000 7.992) 25.118 2.409 ( 23.812 0.000 7.992) 25.118 2.477 ( -15.098 0.000 9.451) 17.812 2.477 ( 15.098 0.000 9.451) 17.812 3.243 ( -11.632 0.000 -1.224) 11.696 3.243 ( 11.632 0.000 -1.224) 11.696 3.660 ( -5.635 0.000 3.341) 6.551 3.660 ( 5.635 0.000 3.342) 6.551 4.562 ( -15.907 0.000 15.968) 22.539 4.562 ( 15.907 0.000 15.968) 22.539 5.102 ( -13.283 0.000 -2.333) 13.487 5.102 ( 13.283 0.000 -2.333) 13.487 5.103 ( -13.724 0.000 7.829) 15.800 5.103 ( 13.724 0.000 7.829) 15.800 5.610 ( -8.679 0.000 -8.568) 12.196 5.610 ( 8.679 0.000 -8.568) 12.196 5.629 ( -8.267 0.000 9.671) 12.723 5.629 ( 8.267 0.000 9.671) 12.723 6.253 ( -4.844 0.000 -3.312) 5.868 6.253 ( 4.844 0.000 -3.312) 5.868 6.274 ( -6.433 0.000 -0.445) 6.448 6.274 ( 6.433 0.000 -0.445) 6.448 7.374 ( -8.171 0.000 -9.951) 12.876 7.374 ( 8.171 0.000 -9.951) 12.876 7.798 ( -10.074 0.000 -9.203) 13.645 7.798 ( 10.074 0.000 -9.203) 13.645 8.303 ( -8.181 0.000 0.746) 8.215 8.303 ( 8.181 0.000 0.746) 8.215 8.687 ( -3.906 0.000 2.012) 4.394 8.687 ( 3.906 0.000 2.012) 4.394 9.401 ( -0.576 0.000 -4.681) 4.716 9.401 ( 0.576 0.000 -4.681) 4.716 9.448 ( -5.007 0.000 -0.360) 5.020 9.448 ( 5.007 0.000 -0.360) 5.020 9.777 ( -4.343 0.000 -6.082) 7.474 9.777 ( 4.343 0.000 -6.082) 7.474 10.193 ( -4.637 0.000 5.660) 7.317 10.193 ( 4.637 0.000 5.660) 7.317 10.479 ( -3.066 0.000 -7.225) 7.848 10.479 ( 3.066 0.000 -7.225) 7.848 11.650 ( -2.982 0.000 1.104) 3.180 11.650 ( 2.982 0.000 1.104) 3.180 11.802 ( -8.796 0.000 -4.945) 10.090 11.802 ( 8.796 0.000 -4.945) 10.090 13.681 ( -6.473 0.000 9.744) 11.699 13.681 ( 6.473 0.000 9.744) 11.699 14.404 ( -1.438 0.000 -6.719) 6.871 14.404 ( 1.438 0.000 -6.719) 6.871 ======================= Grid point 198 (66/120) ======================= q-point: ( 0.00 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 0.000 3.123 23.699) 23.903 1.878 ( 0.000 18.056 20.784) 27.532 2.727 ( 0.000 -10.194 3.146) 10.669 3.036 ( 0.000 10.513 35.614) 37.134 3.183 ( 0.000 6.837 -2.316) 7.219 3.568 ( 0.000 -8.034 13.069) 15.341 3.890 ( 0.000 3.513 1.622) 3.869 3.906 ( 0.000 -10.090 -6.297) 11.894 4.084 ( 0.000 -0.738 14.435) 14.454 4.299 ( 0.000 0.593 -0.805) 1.000 4.597 ( 0.000 8.563 11.111) 14.028 4.641 ( 0.000 -3.913 -3.252) 5.088 5.079 ( 0.000 -5.785 6.949) 9.042 5.468 ( 0.000 1.363 3.251) 3.525 5.527 ( 0.000 -6.555 -4.544) 7.976 5.667 ( 0.000 -4.195 -9.010) 9.939 5.997 ( 0.000 3.086 -0.125) 3.089 6.023 ( 0.000 2.126 -10.060) 10.282 6.115 ( 0.000 1.386 1.194) 1.829 6.596 ( 0.000 -7.387 -8.718) 11.427 6.817 ( 0.000 1.156 -3.602) 3.783 6.928 ( 0.000 -2.411 4.366) 4.987 7.056 ( 0.000 2.082 -12.121) 12.298 7.264 ( 0.000 -5.286 3.612) 6.402 7.348 ( 0.000 4.486 3.650) 5.784 7.781 ( 0.000 -0.600 -3.905) 3.951 7.796 ( 0.000 -10.795 -0.805) 10.825 8.063 ( 0.000 -3.779 0.380) 3.798 8.404 ( 0.000 13.659 -4.998) 14.545 8.628 ( 0.000 7.708 -8.499) 11.474 9.272 ( 0.000 -8.503 -9.585) 12.813 9.397 ( 0.000 -4.894 -7.422) 8.890 9.588 ( 0.000 -0.732 -2.172) 2.292 9.610 ( 0.000 3.350 -2.004) 3.904 9.725 ( 0.000 3.542 4.103) 5.421 10.191 ( 0.000 3.261 -1.291) 3.507 10.216 ( 0.000 -11.334 -14.739) 18.593 10.309 ( 0.000 8.016 7.029) 10.661 10.456 ( 0.000 1.559 -7.437) 7.598 10.692 ( 0.000 -0.055 2.490) 2.490 11.150 ( 0.000 -1.631 3.826) 4.159 11.581 ( 0.000 10.805 7.397) 13.094 11.765 ( 0.000 4.107 -4.466) 6.067 12.144 ( 0.000 5.008 -2.358) 5.535 13.317 ( 0.000 1.154 6.949) 7.044 14.171 ( 0.000 0.965 3.514) 3.644 14.240 ( 0.000 -7.164 -9.685) 12.047 14.455 ( 0.000 -0.838 0.620) 1.043 ======================= Grid point 199 (67/120) ======================= q-point: ( 0.12 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -2.359 4.564 23.284) 23.844 1.945 ( 6.426 17.789 19.982) 27.515 2.748 ( 2.372 -9.589 1.660) 10.017 3.152 ( -2.685 7.279 0.454) 7.772 3.181 ( 10.799 6.737 28.070) 30.822 3.508 ( -5.002 -9.044 10.899) 15.020 3.755 ( -6.426 1.598 3.847) 7.658 3.990 ( 0.436 -4.830 0.343) 4.862 4.070 ( -1.915 3.183 8.556) 9.328 4.336 ( 5.627 -2.123 -0.638) 6.048 4.496 ( -4.156 6.158 10.888) 13.181 4.792 ( 9.887 -4.499 -4.438) 11.734 5.080 ( -0.004 -5.201 8.052) 9.585 5.424 ( -2.048 0.809 2.142) 3.071 5.557 ( -0.306 -8.550 -1.647) 8.713 5.699 ( 2.777 -2.489 -6.008) 7.071 5.959 ( -6.147 3.579 -9.450) 11.828 5.979 ( -1.602 3.647 0.114) 3.984 6.121 ( 0.239 0.447 1.705) 1.779 6.498 ( -11.301 -0.647 -1.285) 11.392 6.647 ( -10.303 -3.268 -6.433) 12.578 6.846 ( -9.281 -2.179 0.761) 9.563 7.030 ( 0.186 1.332 -8.197) 8.306 7.196 ( 2.590 -0.709 -0.840) 2.813 7.638 ( 8.345 -4.098 -2.574) 9.646 7.765 ( 9.407 -0.500 -1.612) 9.557 7.946 ( 5.077 -6.014 -3.756) 8.721 8.089 ( 6.431 -4.054 1.374) 7.726 8.412 ( 2.127 12.709 -3.336) 13.311 8.664 ( 2.272 6.840 -6.669) 9.820 9.268 ( -0.506 -8.593 -8.297) 11.956 9.384 ( -1.084 -4.183 -7.847) 8.958 9.589 ( -0.249 1.309 -2.190) 2.563 9.605 ( -0.103 1.741 -1.842) 2.536 9.710 ( -1.408 3.601 3.166) 4.997 10.123 ( -5.435 2.799 -2.558) 6.627 10.245 ( 1.534 -9.851 -12.890) 16.296 10.280 ( -2.650 5.809 4.699) 7.928 10.456 ( -0.721 1.223 -4.646) 4.858 10.627 ( -5.115 -0.215 1.662) 5.382 11.235 ( 7.484 -1.644 3.397) 8.382 11.584 ( 0.324 10.137 7.134) 12.400 11.779 ( 1.528 5.857 -4.691) 7.658 12.150 ( 0.504 6.019 -2.571) 6.564 13.354 ( 3.646 0.208 6.735) 7.661 14.114 ( -5.808 0.710 4.689) 7.498 14.250 ( 1.022 -6.992 -9.633) 11.946 14.445 ( -0.915 -1.208 -0.110) 1.520 ======================= Grid point 200 (68/120) ======================= q-point: ( 0.25 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 7.204 5.746 19.132) 21.235 2.110 ( 10.574 15.944 17.224) 25.743 2.818 ( 4.545 -7.718 -1.566) 9.092 3.047 ( -7.490 6.443 2.576) 10.210 3.215 ( -10.848 1.457 12.350) 16.503 3.420 ( -4.404 -8.601 6.540) 11.669 3.802 ( 10.080 5.628 11.798) 16.507 3.927 ( -1.551 4.308 9.282) 10.350 3.995 ( -6.597 3.727 3.301) 8.265 4.502 ( 5.238 -0.446 9.596) 10.941 4.508 ( 10.972 -6.533 2.160) 12.951 4.954 ( 3.874 -4.793 -2.393) 6.611 5.095 ( 3.990 -5.328 3.643) 7.588 5.393 ( -1.989 -1.107 7.792) 8.118 5.524 ( -2.123 -3.851 -1.672) 4.704 5.678 ( -5.882 -2.493 -4.658) 7.906 5.839 ( -5.413 3.429 -4.500) 7.830 5.949 ( -2.486 4.434 2.244) 5.557 6.111 ( -1.371 -3.395 2.282) 4.314 6.288 ( -7.557 4.590 1.351) 8.945 6.484 ( -8.351 -3.960 -9.670) 13.376 6.647 ( -9.721 1.200 -1.435) 9.899 7.074 ( 3.993 -2.394 -6.776) 8.221 7.307 ( 7.579 -2.886 -4.382) 9.218 7.649 ( -1.361 -0.231 -7.331) 7.460 7.936 ( -0.797 -3.033 -5.222) 6.091 8.030 ( 10.623 -0.206 -1.995) 10.811 8.311 ( 12.350 -5.671 1.037) 13.629 8.498 ( 6.175 8.830 -0.575) 10.790 8.674 ( -0.944 6.395 -2.489) 6.927 9.249 ( -1.241 -8.607 -5.855) 10.483 9.364 ( -1.083 -3.284 -7.496) 8.256 9.574 ( -0.929 4.905 -1.912) 5.346 9.621 ( 1.679 -0.330 -2.827) 3.305 9.683 ( -1.264 4.187 1.151) 4.522 10.001 ( -7.101 2.441 -3.855) 8.441 10.212 ( -3.548 4.560 5.531) 7.998 10.284 ( 1.704 -9.961 -11.548) 15.345 10.400 ( -4.571 -1.840 -0.201) 4.932 10.557 ( -2.159 0.866 -3.746) 4.410 11.386 ( 7.637 -3.236 3.246) 8.907 11.590 ( 0.156 7.911 6.416) 10.187 11.827 ( 3.701 10.668 -5.205) 12.434 12.154 ( -0.466 8.530 -3.238) 9.136 13.440 ( 4.995 -1.446 6.785) 8.549 13.970 ( -8.769 -0.041 6.834) 11.117 14.278 ( 1.812 -6.493 -9.196) 11.402 14.422 ( -1.480 -2.187 -1.999) 3.312 ======================= Grid point 201 (69/120) ======================= q-point: ( 0.38 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 17.563 4.901 12.530) 22.124 2.332 ( 12.509 12.412 13.347) 22.106 2.789 ( -11.045 2.162 3.232) 11.710 2.884 ( -20.000 2.938 6.380) 21.198 3.016 ( 6.730 -1.450 1.262) 6.999 3.339 ( -5.335 -6.000 5.259) 9.597 3.765 ( -4.323 9.333 -1.076) 10.342 3.851 ( -7.242 5.210 3.443) 9.562 4.201 ( 19.117 -0.062 17.449) 25.883 4.630 ( 4.562 -6.292 7.231) 10.615 4.708 ( 9.224 -12.400 6.210) 16.655 4.912 ( -3.932 -0.917 7.384) 8.416 5.234 ( 5.933 -5.614 -4.808) 9.478 5.351 ( -0.934 1.209 6.957) 7.123 5.466 ( -4.079 0.949 2.899) 5.094 5.601 ( 0.554 1.041 -5.650) 5.772 5.719 ( -7.717 -0.666 -1.589) 7.907 5.840 ( -8.244 3.441 5.996) 10.759 6.096 ( 0.250 -6.282 1.321) 6.424 6.200 ( -4.112 -0.386 -2.458) 4.806 6.368 ( -1.799 2.886 -4.983) 6.033 6.500 ( -6.107 4.903 -1.733) 8.021 7.172 ( 6.135 -5.167 -8.004) 11.332 7.390 ( -1.323 -7.917 -8.275) 11.528 7.680 ( 6.633 5.871 -6.802) 11.169 7.919 ( -1.545 -0.464 -8.639) 8.789 8.177 ( 5.670 0.193 0.147) 5.675 8.419 ( -3.213 -4.310 -0.851) 5.443 8.613 ( 6.707 5.927 0.056) 8.951 8.699 ( 3.690 3.943 2.195) 5.829 9.242 ( 1.049 -7.328 -4.915) 8.886 9.338 ( -1.830 -3.935 -5.866) 7.297 9.565 ( 0.228 6.655 -0.999) 6.733 9.643 ( -1.663 6.679 -2.847) 7.449 9.678 ( 2.651 -1.071 -1.154) 3.083 9.867 ( -6.746 0.496 -4.064) 7.891 10.161 ( -1.311 0.425 4.112) 4.337 10.252 ( -4.779 -4.520 0.250) 6.583 10.382 ( 3.009 -3.797 -7.810) 9.190 10.516 ( -2.682 -0.809 -6.882) 7.430 11.503 ( 4.586 -4.098 3.645) 7.149 11.587 ( -0.602 3.942 5.398) 6.711 11.922 ( 6.055 14.827 -5.505) 16.936 12.122 ( -3.018 11.640 -4.239) 12.750 13.538 ( 5.499 -2.299 7.571) 9.635 13.801 ( -8.605 -1.109 8.267) 11.984 14.316 ( 2.128 -5.712 -8.214) 10.229 14.391 ( -1.765 -3.451 -4.385) 5.853 ======================= Grid point 202 (70/120) ======================= q-point: (-0.50 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( -20.998 2.567 8.388) 22.756 2.430 ( 20.998 2.567 8.388) 22.756 2.585 ( -12.021 9.259 8.297) 17.294 2.585 ( 12.021 9.259 8.297) 17.294 3.191 ( -9.740 -3.474 1.459) 10.443 3.191 ( 9.740 -3.474 1.459) 10.443 3.750 ( -2.802 7.278 1.400) 7.924 3.750 ( 2.802 7.278 1.400) 7.924 4.522 ( -13.640 -4.886 11.072) 18.234 4.522 ( 13.640 -4.886 11.072) 18.234 4.859 ( -5.243 -10.793 7.309) 14.050 4.859 ( 5.243 -10.793 7.309) 14.050 5.291 ( -4.343 5.858 2.352) 7.663 5.291 ( 4.343 5.858 2.352) 7.663 5.539 ( -9.112 -3.302 -1.227) 9.769 5.539 ( 9.112 -3.302 -1.227) 9.769 5.690 ( -6.553 2.515 1.631) 7.206 5.690 ( 6.553 2.515 1.631) 7.206 6.125 ( -2.940 -5.593 -0.922) 6.386 6.125 ( 2.940 -5.593 -0.922) 6.386 6.404 ( -4.101 6.585 -1.954) 8.000 6.404 ( 4.101 6.585 -1.954) 8.000 7.297 ( -6.662 -6.845 -8.895) 13.053 7.297 ( 6.662 -6.845 -8.895) 13.053 7.837 ( -7.436 3.493 -8.312) 11.687 7.837 ( 7.436 3.493 -8.312) 11.687 8.295 ( -7.313 -0.978 0.179) 7.381 8.295 ( 7.313 -0.978 0.179) 7.381 8.717 ( -2.785 2.842 1.246) 4.170 8.717 ( 2.785 2.842 1.246) 4.170 9.289 ( -3.173 -5.570 -4.993) 8.125 9.289 ( 3.173 -5.570 -4.993) 8.125 9.592 ( -2.643 8.126 -0.676) 8.572 9.592 ( 2.643 8.126 -0.676) 8.572 9.754 ( -5.044 -1.412 -3.337) 6.210 9.754 ( 5.044 -1.412 -3.337) 6.210 10.175 ( -2.728 -2.007 2.306) 4.097 10.175 ( 2.728 -2.007 2.306) 4.097 10.453 ( -3.836 -2.632 -7.971) 9.229 10.453 ( 3.836 -2.632 -7.971) 9.229 11.563 ( -1.990 -0.854 4.382) 4.888 11.563 ( 1.990 -0.854 4.382) 4.888 12.038 ( -5.690 14.413 -5.140) 16.325 12.038 ( 5.690 14.413 -5.140) 16.325 13.654 ( -6.879 -2.054 8.388) 11.040 13.654 ( 6.879 -2.054 8.388) 11.040 14.355 ( -2.010 -4.682 -6.588) 8.329 14.355 ( 2.010 -4.682 -6.588) 8.329 ======================= Grid point 207 (71/120) ======================= q-point: ( 0.00 0.29 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 0.000 5.621 16.997) 17.903 2.273 ( 0.000 18.081 18.835) 26.109 2.478 ( 0.000 -12.135 2.710) 12.434 3.308 ( 0.000 -15.932 10.210) 18.923 3.354 ( 0.000 8.730 -0.646) 8.754 3.388 ( 0.000 22.661 25.818) 34.353 3.802 ( 0.000 0.396 6.955) 6.967 3.931 ( 0.000 -6.536 8.410) 10.651 4.013 ( 0.000 1.552 9.178) 9.308 4.315 ( 0.000 0.479 -3.656) 3.687 4.643 ( 0.000 2.557 -2.751) 3.756 4.722 ( 0.000 3.476 13.679) 14.114 4.913 ( 0.000 -8.663 10.046) 13.265 5.308 ( 0.000 -15.546 1.080) 15.584 5.473 ( 0.000 -0.921 6.226) 6.293 5.557 ( 0.000 -4.981 -5.753) 7.609 6.055 ( 0.000 0.697 -10.269) 10.293 6.065 ( 0.000 2.892 -3.903) 4.858 6.182 ( 0.000 4.618 -7.405) 8.727 6.443 ( 0.000 -6.916 -16.075) 17.500 6.846 ( 0.000 1.508 -1.649) 2.234 6.881 ( 0.000 -1.620 1.867) 2.472 7.072 ( 0.000 -0.912 -3.853) 3.959 7.143 ( 0.000 -5.824 0.618) 5.857 7.454 ( 0.000 5.807 3.035) 6.552 7.677 ( 0.000 -0.670 -1.386) 1.539 7.749 ( 0.000 -2.633 -1.100) 2.854 7.973 ( 0.000 -4.935 -0.819) 5.002 8.652 ( 0.000 10.372 -5.199) 11.602 8.813 ( 0.000 9.210 -5.358) 10.655 9.115 ( 0.000 -5.680 -12.278) 13.529 9.306 ( 0.000 -3.612 -7.723) 8.526 9.553 ( 0.000 -2.287 -0.528) 2.348 9.654 ( 0.000 -0.675 -2.259) 2.357 9.802 ( 0.000 3.938 3.992) 5.607 9.994 ( 0.000 -8.172 -11.995) 14.514 10.273 ( 0.000 3.971 -2.523) 4.704 10.488 ( 0.000 7.953 4.101) 8.949 10.499 ( 0.000 1.554 -5.359) 5.580 10.623 ( 0.000 -5.115 7.123) 8.770 11.178 ( 0.000 5.718 3.397) 6.651 11.836 ( 0.000 13.057 8.086) 15.358 11.923 ( 0.000 7.158 -7.599) 10.440 12.116 ( 0.000 -6.157 1.267) 6.286 13.372 ( 0.000 4.142 5.303) 6.729 14.028 ( 0.000 -13.088 -9.136) 15.961 14.217 ( 0.000 3.564 -2.033) 4.103 14.432 ( 0.000 -1.499 -0.815) 1.706 ======================= Grid point 208 (72/120) ======================= q-point: ( 0.12 0.29 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 0.557 7.957 16.815) 18.611 2.334 ( 5.747 17.232 18.023) 25.589 2.522 ( 4.590 -10.766 1.343) 11.780 3.246 ( -6.240 -11.582 7.931) 15.361 3.339 ( -0.571 7.163 5.420) 9.001 3.423 ( 0.788 14.714 15.437) 21.341 3.804 ( 1.310 3.329 11.356) 11.906 3.947 ( 0.869 1.516 6.277) 6.516 4.057 ( 5.108 -5.343 11.779) 13.906 4.308 ( -1.234 0.044 -3.893) 4.084 4.592 ( -4.742 3.860 7.792) 9.905 4.767 ( 5.162 -0.395 0.275) 5.184 4.916 ( 0.170 -8.310 8.852) 12.142 5.314 ( -0.139 -14.971 1.951) 15.098 5.426 ( -1.207 -0.229 3.773) 3.968 5.619 ( 2.939 -5.011 -1.396) 5.975 6.014 ( -4.085 1.718 -8.246) 9.362 6.057 ( -1.172 1.657 -2.260) 3.037 6.159 ( -2.633 4.434 -6.979) 8.678 6.432 ( -1.594 -4.458 -14.799) 15.537 6.648 ( -14.271 2.055 -0.012) 14.419 6.792 ( -8.155 -2.819 1.670) 8.789 7.037 ( -1.875 -0.153 -2.700) 3.291 7.161 ( 2.417 -2.612 -1.840) 4.006 7.608 ( 5.900 1.748 -3.317) 6.991 7.756 ( 13.179 0.282 0.700) 13.201 7.855 ( 4.876 -3.756 -2.036) 6.483 7.997 ( 5.442 -4.718 -0.329) 7.210 8.655 ( 0.938 10.618 -4.053) 11.404 8.824 ( 0.454 7.797 -4.280) 8.906 9.117 ( -0.126 -5.241 -10.367) 11.617 9.301 ( -0.455 -3.725 -8.773) 9.542 9.559 ( 0.677 -2.143 -0.455) 2.293 9.650 ( -0.415 -0.452 -1.972) 2.065 9.791 ( -0.730 4.391 2.668) 5.190 10.022 ( 2.839 -7.935 -11.791) 14.493 10.207 ( -6.186 3.913 -2.650) 7.785 10.426 ( -6.472 3.803 4.427) 8.715 10.476 ( -2.985 1.520 -1.639) 3.729 10.593 ( -2.044 -1.697 1.028) 2.849 11.248 ( 6.388 4.962 4.465) 9.240 11.833 ( -0.403 12.959 7.929) 15.197 11.966 ( 4.338 8.205 -7.115) 11.694 12.144 ( 2.749 -5.556 1.474) 6.371 13.391 ( 1.969 3.591 5.010) 6.471 14.043 ( 1.563 -12.791 -9.071) 15.759 14.156 ( -6.155 3.649 -1.032) 7.229 14.412 ( -2.042 -2.187 -1.303) 3.264 ======================= Grid point 209 (73/120) ======================= q-point: ( 0.25 0.29 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 7.731 10.307 14.242) 19.205 2.462 ( 7.194 14.355 15.805) 22.530 2.647 ( 8.196 -6.929 -0.806) 10.763 3.101 ( -8.288 -5.513 7.728) 12.602 3.289 ( -8.527 6.728 7.021) 12.934 3.370 ( -2.905 7.134 6.705) 10.213 3.856 ( 2.846 0.992 6.106) 6.809 4.008 ( 5.084 4.638 12.398) 14.180 4.129 ( 0.059 5.440 6.867) 8.761 4.290 ( 1.889 -12.318 2.126) 12.642 4.522 ( -1.038 2.755 8.618) 9.107 4.882 ( 0.860 -14.400 3.614) 14.871 4.936 ( 7.057 2.181 -2.549) 7.814 5.298 ( -0.334 -8.303 5.462) 9.944 5.468 ( 4.753 -1.150 3.581) 6.061 5.610 ( -4.303 -3.428 -1.149) 5.620 5.906 ( -7.290 1.906 -3.063) 8.134 6.006 ( -4.124 -4.414 2.434) 6.512 6.080 ( -5.557 6.412 -4.203) 9.469 6.341 ( -7.852 -0.695 -8.397) 11.518 6.473 ( -3.866 3.082 -3.639) 6.139 6.660 ( -4.012 0.156 -0.724) 4.079 7.006 ( -0.809 -2.992 -3.570) 4.728 7.228 ( 3.015 -4.676 -4.030) 6.870 7.686 ( 4.264 3.608 -4.895) 7.427 7.881 ( 1.176 -2.034 -5.065) 5.583 8.025 ( 11.623 -0.529 -0.472) 11.645 8.187 ( 10.940 -5.774 -0.067) 12.370 8.697 ( 3.235 9.508 -2.358) 10.316 8.812 ( -1.527 6.687 -1.792) 7.090 9.105 ( -0.700 -4.995 -7.325) 8.894 9.287 ( -1.197 -4.157 -8.488) 9.527 9.585 ( 2.152 -1.384 -0.769) 2.672 9.644 ( 0.048 0.078 -1.170) 1.173 9.790 ( 0.870 5.817 -0.397) 5.895 10.065 ( -8.416 3.501 -2.133) 9.361 10.094 ( 4.244 -7.166 -11.613) 14.291 10.269 ( -8.868 -0.860 4.606) 10.030 10.391 ( -5.370 1.682 0.126) 5.628 10.549 ( -3.034 -1.452 -5.358) 6.326 11.388 ( 7.903 5.373 5.906) 11.234 11.814 ( -1.800 12.805 8.013) 15.213 12.071 ( 6.221 9.195 -5.999) 12.619 12.207 ( 3.427 -3.439 1.494) 5.080 13.443 ( 3.443 2.587 4.407) 6.162 14.001 ( -9.603 3.623 0.776) 10.293 14.085 ( 2.844 -11.868 -8.500) 14.872 14.360 ( -3.341 -3.998 -2.620) 5.831 ======================= Grid point 210 (74/120) ======================= q-point: ( 0.38 0.29 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 15.297 9.428 10.116) 20.620 2.597 ( 6.714 10.186 12.191) 17.247 2.765 ( -0.409 -3.222 0.485) 3.284 2.952 ( -8.266 -0.740 7.565) 11.230 3.082 ( -5.413 11.013 4.766) 13.164 3.320 ( -4.384 5.734 8.042) 10.806 3.880 ( 0.113 1.370 1.745) 2.221 3.982 ( -5.927 5.670 -0.349) 8.210 4.202 ( 7.724 0.693 10.408) 12.980 4.360 ( 2.529 -16.996 3.272) 17.492 4.567 ( 5.272 -2.020 10.088) 11.561 4.818 ( -5.425 -10.785 7.897) 14.426 5.136 ( 11.138 -0.715 -4.369) 11.986 5.336 ( 4.936 -3.517 4.772) 7.714 5.482 ( -7.978 -0.134 -2.118) 8.256 5.581 ( 6.822 0.250 3.755) 7.791 5.734 ( -10.762 0.448 -0.167) 10.772 5.910 ( -7.763 0.345 0.082) 7.771 5.986 ( -1.231 -1.229 5.508) 5.776 6.177 ( -8.536 -2.074 -2.672) 9.182 6.473 ( 2.965 6.442 -3.640) 7.972 6.612 ( -2.517 6.237 -2.903) 7.326 7.028 ( 3.383 -7.979 -5.800) 10.428 7.225 ( -3.566 -8.399 -6.337) 11.109 7.799 ( 7.616 5.816 -5.018) 10.818 7.932 ( 3.130 1.752 -6.560) 7.477 8.170 ( 4.466 -0.961 -0.775) 4.633 8.316 ( 1.080 -5.433 -1.208) 5.670 8.760 ( 3.043 7.833 -2.144) 8.673 8.794 ( 0.356 5.142 0.619) 5.192 9.115 ( 2.163 -5.047 -6.249) 8.319 9.249 ( -2.873 -4.899 -6.635) 8.733 9.639 ( 3.655 -0.120 -0.572) 3.701 9.663 ( 2.202 1.470 -0.145) 2.652 9.808 ( -0.246 7.859 -0.906) 7.915 9.902 ( -8.357 2.750 -0.515) 8.813 10.109 ( -3.314 -4.095 -0.460) 5.288 10.180 ( -0.424 -3.495 -7.708) 8.474 10.310 ( -1.091 -2.283 -2.676) 3.682 10.473 ( -4.913 -3.535 -7.820) 9.889 11.535 ( 7.462 7.500 7.045) 12.711 11.760 ( -3.962 11.953 8.102) 14.974 12.183 ( 5.159 7.941 -4.073) 10.309 12.257 ( 1.491 0.206 0.479) 1.579 13.523 ( 5.204 2.181 3.890) 6.853 13.813 ( -9.766 3.289 2.507) 10.605 14.147 ( 3.591 -10.488 -7.704) 13.500 14.291 ( -3.809 -6.331 -4.438) 8.619 ======================= Grid point 211 (75/120) ======================= q-point: (-0.50 0.29 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( -16.671 5.584 7.679) 19.185 2.515 ( 16.671 5.584 7.679) 19.185 2.776 ( -7.945 6.120 6.471) 11.936 2.776 ( 7.945 6.120 6.471) 11.936 3.183 ( -9.296 5.445 5.650) 12.165 3.183 ( 9.296 5.445 5.650) 12.165 3.897 ( -2.505 5.355 0.637) 5.946 3.897 ( 2.505 5.355 0.637) 5.946 4.333 ( -5.058 -11.483 3.448) 13.013 4.333 ( 5.058 -11.483 3.448) 13.013 4.695 ( -7.288 -7.035 10.623) 14.678 4.695 ( 7.288 -7.035 10.623) 14.678 5.319 ( -8.305 -1.125 -0.237) 8.385 5.319 ( 8.305 -1.125 -0.237) 8.385 5.508 ( -11.349 -0.816 -1.670) 11.500 5.508 ( 11.349 -0.816 -1.670) 11.500 5.737 ( -9.045 3.149 4.278) 10.489 5.737 ( 9.045 3.149 4.278) 10.489 6.039 ( -5.658 -3.538 2.881) 7.268 6.039 ( 5.658 -3.538 2.881) 7.268 6.547 ( -4.137 7.764 -3.338) 9.409 6.547 ( 4.137 7.764 -3.338) 9.409 7.123 ( -6.063 -9.574 -6.981) 13.310 7.123 ( 6.063 -9.574 -6.981) 13.310 7.929 ( -4.459 5.384 -6.222) 9.359 7.929 ( 4.459 5.384 -6.222) 9.359 8.254 ( -5.243 -3.140 -0.968) 6.187 8.254 ( 5.243 -3.140 -0.968) 6.187 8.800 ( -0.748 5.290 -0.685) 5.386 8.800 ( 0.748 5.290 -0.685) 5.386 9.181 ( -4.090 -5.382 -6.035) 9.062 9.181 ( 4.090 -5.382 -6.035) 9.062 9.707 ( -0.677 2.128 -1.423) 2.648 9.707 ( 0.677 2.128 -1.423) 2.648 9.781 ( -1.712 4.509 2.828) 5.591 9.781 ( 1.712 4.509 2.828) 5.591 10.119 ( -3.787 -2.462 -4.083) 6.088 10.119 ( 3.787 -2.462 -4.083) 6.088 10.372 ( -5.382 -5.114 -8.037) 10.941 10.372 ( 5.382 -5.114 -8.037) 10.941 11.664 ( -6.044 10.049 7.820) 14.095 11.664 ( 6.044 10.049 7.820) 14.095 12.253 ( -1.999 4.486 -1.633) 5.175 12.253 ( 1.999 4.486 -1.633) 5.175 13.645 ( -7.709 2.612 3.411) 8.826 13.645 ( 7.709 2.612 3.411) 8.826 14.218 ( -3.842 -8.602 -6.275) 11.319 14.218 ( 3.842 -8.602 -6.275) 11.319 ======================= Grid point 216 (76/120) ======================= q-point: ( 0.00 0.43 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 0.000 7.742 9.663) 12.382 2.227 ( 0.000 -10.361 5.795) 11.872 2.637 ( 0.000 16.292 16.124) 22.921 2.971 ( 0.000 -16.522 13.615) 21.409 3.518 ( 0.000 7.935 2.994) 8.481 3.707 ( 0.000 -10.181 7.310) 12.534 3.833 ( 0.000 13.544 16.231) 21.140 3.883 ( 0.000 4.929 12.679) 13.603 4.153 ( 0.000 10.848 6.668) 12.734 4.305 ( 0.000 -1.988 -1.699) 2.615 4.606 ( 0.000 -3.780 0.971) 3.903 4.705 ( 0.000 -7.552 8.674) 11.501 4.858 ( 0.000 2.827 10.244) 10.627 4.974 ( 0.000 -11.963 7.980) 14.380 5.454 ( 0.000 -0.201 5.564) 5.567 5.480 ( 0.000 -2.654 0.601) 2.721 6.066 ( 0.000 0.886 -11.728) 11.761 6.089 ( 0.000 -0.638 -9.982) 10.002 6.270 ( 0.000 3.532 -11.828) 12.344 6.334 ( 0.000 -3.594 -14.705) 15.138 6.868 ( 0.000 0.175 0.668) 0.690 6.869 ( 0.000 0.492 0.187) 0.526 7.043 ( 0.000 -1.138 -2.138) 2.422 7.052 ( 0.000 -2.522 -1.673) 3.026 7.573 ( 0.000 5.552 3.567) 6.599 7.676 ( 0.000 -4.436 1.681) 4.744 7.737 ( 0.000 5.411 -2.465) 5.946 7.861 ( 0.000 -6.075 -1.766) 6.326 8.821 ( 0.000 6.166 -5.935) 8.558 8.906 ( 0.000 -1.625 -3.927) 4.250 9.117 ( 0.000 6.368 -13.654) 15.066 9.238 ( 0.000 -3.966 -8.560) 9.435 9.514 ( 0.000 -0.746 -1.488) 1.664 9.564 ( 0.000 -5.659 -4.755) 7.391 9.878 ( 0.000 3.063 2.341) 3.855 9.917 ( 0.000 -1.192 -3.298) 3.507 10.353 ( 0.000 4.246 0.104) 4.248 10.455 ( 0.000 -5.356 2.675) 5.987 10.579 ( 0.000 0.789 -0.801) 1.124 10.583 ( 0.000 1.422 -0.391) 1.474 11.409 ( 0.000 16.081 4.575) 16.720 11.767 ( 0.000 -17.015 3.530) 17.377 12.067 ( 0.000 8.355 4.681) 9.577 12.133 ( 0.000 2.255 -2.488) 3.357 13.498 ( 0.000 8.860 1.330) 8.959 13.739 ( 0.000 -14.072 -5.408) 15.075 14.305 ( 0.000 4.570 -4.859) 6.671 14.386 ( 0.000 -3.140 -3.475) 4.683 ======================= Grid point 217 (77/120) ======================= q-point: ( 0.12 0.43 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 4.151 9.433 9.353) 13.918 2.282 ( 5.569 -10.293 5.138) 12.781 2.671 ( 3.397 14.051 15.264) 21.023 2.958 ( -1.264 -14.367 13.093) 19.479 3.505 ( -0.956 8.308 4.151) 9.336 3.649 ( -4.861 -1.495 7.592) 9.138 3.868 ( 4.377 7.031 11.599) 14.253 3.968 ( 4.967 -0.525 11.400) 12.446 4.097 ( -4.214 9.883 7.356) 13.021 4.280 ( -3.259 -4.649 0.957) 5.758 4.611 ( 0.466 -1.593 1.138) 2.012 4.682 ( -2.410 -3.795 9.302) 10.332 4.885 ( 3.257 2.344 5.681) 6.955 5.006 ( 3.541 -11.942 6.660) 14.124 5.437 ( -0.068 1.737 4.085) 4.440 5.508 ( 1.537 -5.083 2.249) 5.767 6.036 ( -3.307 0.883 -9.037) 9.664 6.057 ( -3.797 -0.866 -6.843) 7.873 6.265 ( -0.824 4.772 -11.304) 12.297 6.349 ( 0.582 -3.777 -13.460) 13.992 6.691 ( -12.276 2.100 0.545) 12.467 6.737 ( -9.965 -2.484 1.102) 10.329 7.052 ( -0.024 1.768 -1.938) 2.624 7.102 ( 2.156 -2.904 -2.348) 4.312 7.679 ( 5.760 4.254 -0.740) 7.199 7.761 ( 6.574 -2.951 0.882) 7.260 7.809 ( 8.288 2.433 -1.489) 8.765 7.898 ( 6.340 -4.996 -1.285) 8.173 8.829 ( 0.916 6.211 -4.671) 7.825 8.908 ( 0.141 -0.984 -3.330) 3.475 9.111 ( -0.942 5.151 -11.817) 12.925 9.224 ( -1.396 -4.397 -9.074) 10.179 9.526 ( 1.312 -0.366 -1.755) 2.221 9.574 ( 0.948 -4.910 -3.894) 6.338 9.880 ( 0.476 3.786 0.957) 3.934 9.935 ( 1.991 -2.048 -4.154) 5.041 10.288 ( -6.283 4.158 0.227) 7.538 10.381 ( -7.154 -4.651 3.587) 9.257 10.537 ( -3.627 2.468 -1.484) 4.631 10.574 ( -2.205 -1.070 -2.722) 3.663 11.468 ( 5.883 15.715 5.244) 17.581 11.819 ( 5.157 -16.600 3.830) 17.800 12.073 ( 0.436 9.099 5.089) 10.435 12.160 ( 2.500 1.351 -1.463) 3.196 13.515 ( 1.808 9.056 0.789) 9.268 13.759 ( 2.047 -14.000 -5.626) 15.226 14.253 ( -5.333 5.259 -4.426) 8.700 14.350 ( -3.674 -3.985 -3.563) 6.486 ======================= Grid point 218 (78/120) ======================= q-point: ( 0.25 0.43 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 8.865 11.672 8.179) 16.785 2.424 ( 8.998 -9.488 3.924) 13.652 2.750 ( 4.237 8.739 12.999) 16.226 2.925 ( -2.179 -9.167 11.457) 14.834 3.484 ( -2.000 10.504 4.341) 11.540 3.562 ( -3.499 6.148 7.660) 10.427 3.893 ( -4.788 2.639 8.265) 9.910 3.995 ( 0.609 -8.661 6.757) 11.002 4.095 ( 1.324 3.009 5.131) 6.094 4.216 ( 0.027 -3.378 5.601) 6.541 4.594 ( -3.717 2.355 4.949) 6.622 4.628 ( -2.093 -5.846 3.261) 7.014 4.995 ( 8.250 3.165 1.311) 8.933 5.105 ( 6.552 -8.538 4.175) 11.544 5.473 ( 3.805 1.504 3.969) 5.700 5.531 ( 0.958 -3.962 2.557) 4.812 5.927 ( -8.641 0.492 -2.541) 9.020 5.942 ( -7.393 -1.446 -1.234) 7.634 6.204 ( -6.382 5.037 -5.462) 9.795 6.290 ( -7.605 -3.560 -7.064) 10.973 6.553 ( -0.936 4.130 -2.594) 4.966 6.632 ( 0.662 -3.117 -2.173) 3.856 7.011 ( -3.954 3.717 -2.537) 5.991 7.119 ( -1.183 -5.830 -3.334) 6.819 7.771 ( 5.703 4.183 -3.291) 7.801 7.841 ( 4.579 -2.474 -3.101) 6.059 8.026 ( 10.929 1.309 -0.956) 11.049 8.085 ( 10.244 -4.151 -0.893) 11.089 8.853 ( 1.520 5.371 -2.703) 6.202 8.908 ( -0.185 0.866 -2.154) 2.329 9.077 ( -2.270 3.361 -8.781) 9.673 9.189 ( -2.354 -5.636 -8.551) 10.509 9.567 ( 3.085 0.065 -1.733) 3.539 9.600 ( 2.063 -2.965 -1.597) 3.949 9.907 ( 2.592 5.239 -1.909) 6.148 9.995 ( 4.322 -3.567 -6.547) 8.618 10.138 ( -9.131 3.587 0.520) 9.824 10.212 ( -10.023 -3.647 3.650) 11.273 10.439 ( -6.498 2.643 -2.969) 7.617 10.500 ( -5.340 -3.082 -5.822) 8.480 11.612 ( 8.689 15.325 6.474) 18.769 11.944 ( 7.470 -15.101 4.448) 17.425 12.072 ( -0.852 10.723 6.247) 12.440 12.211 ( 2.379 -1.376 0.736) 2.845 13.566 ( 3.654 9.663 -0.541) 10.345 13.816 ( 3.871 -13.684 -6.036) 15.448 14.117 ( -8.555 6.953 -3.595) 11.596 14.256 ( -5.978 -6.166 -3.932) 9.445 ======================= Grid point 219 (79/120) ======================= q-point: ( 0.38 0.43 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 12.458 10.907 6.753) 17.882 2.606 ( 9.717 -7.259 3.894) 12.739 2.785 ( -2.275 4.037 9.296) 10.387 2.872 ( -3.591 -4.796 9.266) 11.035 3.424 ( -2.405 18.927 4.785) 19.670 3.520 ( -2.526 10.638 8.236) 13.689 3.802 ( -2.926 -7.329 6.559) 10.261 3.904 ( -7.098 -16.486 4.321) 18.462 4.173 ( 5.984 5.667 2.194) 8.529 4.279 ( 3.670 1.490 3.964) 5.603 4.505 ( -4.105 -4.071 4.523) 7.341 4.578 ( -3.709 -8.500 2.700) 9.659 5.175 ( 9.866 3.137 0.337) 10.358 5.248 ( 8.716 -3.919 -0.276) 9.561 5.502 ( -4.117 2.613 -1.644) 5.146 5.569 ( 1.951 -2.680 3.027) 4.490 5.759 ( -5.765 2.965 3.447) 7.342 5.842 ( -0.353 -4.405 4.989) 6.665 6.043 ( -9.832 3.854 2.773) 10.918 6.119 ( -9.337 -3.421 0.906) 9.985 6.611 ( 5.532 6.775 -4.750) 9.953 6.710 ( 5.402 -0.023 -4.848) 7.259 6.919 ( -4.867 0.705 -4.005) 6.342 7.047 ( -5.994 -8.681 -4.771) 11.578 7.910 ( 8.541 4.703 -3.586) 10.388 7.964 ( 7.767 0.078 -4.054) 8.761 8.154 ( 2.070 0.458 -2.014) 2.924 8.211 ( 1.850 -4.507 -2.119) 5.313 8.886 ( 1.893 4.416 -2.015) 5.210 8.915 ( 1.450 4.310 -2.624) 5.251 9.043 ( -1.082 -0.582 -6.342) 6.460 9.133 ( -3.542 -6.312 -6.549) 9.761 9.643 ( 5.108 0.763 -0.244) 5.170 9.665 ( 5.016 -1.004 0.859) 5.188 9.943 ( -5.138 4.009 0.373) 6.528 9.960 ( -7.313 2.836 1.535) 7.992 10.049 ( -1.737 -1.166 -2.916) 3.589 10.100 ( 5.621 -4.002 -8.345) 10.828 10.303 ( -7.415 1.970 -4.614) 8.953 10.381 ( -6.918 -4.882 -7.697) 11.443 11.779 ( 8.657 15.053 7.459) 18.899 12.027 ( -3.441 12.496 7.074) 14.766 12.087 ( 6.496 -12.581 5.178) 15.076 12.233 ( -0.375 -5.425 3.019) 6.219 13.655 ( 5.722 10.312 -1.928) 11.950 13.902 ( 5.027 -12.437 -6.328) 14.832 13.946 ( -8.881 8.447 -2.832) 12.579 14.134 ( -6.608 -8.861 -4.680) 12.004 ======================= Grid point 220 (80/120) ======================= q-point: (-0.50 0.43 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( -11.261 6.828 6.738) 14.793 2.646 ( 11.261 6.828 6.738) 14.793 2.772 ( -7.290 -4.690 6.021) 10.554 2.772 ( 7.290 -4.690 6.021) 10.554 3.445 ( -4.135 17.596 6.863) 19.334 3.445 ( 4.135 17.596 6.863) 19.334 3.804 ( -2.974 -15.114 4.901) 16.165 3.804 ( 2.974 -15.114 4.901) 16.165 4.277 ( -4.122 7.685 1.058) 8.785 4.277 ( 4.122 7.685 1.058) 8.785 4.500 ( -3.524 -11.746 4.500) 13.063 4.500 ( 3.524 -11.746 4.500) 13.063 5.348 ( -7.622 4.244 -1.304) 8.821 5.348 ( 7.622 4.244 -1.304) 8.821 5.451 ( -9.293 -4.686 -2.446) 10.691 5.451 ( 9.293 -4.686 -2.446) 10.691 5.834 ( -8.609 5.845 7.114) 12.605 5.834 ( 8.609 5.845 7.114) 12.605 5.952 ( -7.169 -5.212 6.212) 10.824 5.952 ( 7.169 -5.212 6.212) 10.824 6.723 ( -4.993 9.314 -4.609) 11.530 6.723 ( 4.993 9.314 -4.609) 11.530 6.921 ( -5.909 -9.969 -5.547) 12.848 6.921 ( 5.909 -9.969 -5.547) 12.848 8.049 ( -3.373 6.073 -4.065) 8.049 8.049 ( 3.373 6.073 -4.065) 8.049 8.167 ( -3.689 -5.233 -2.331) 6.813 8.167 ( 3.689 -5.233 -2.331) 6.813 8.925 ( -1.553 6.659 -3.041) 7.483 8.925 ( 1.553 6.659 -3.041) 7.483 9.061 ( -3.365 -6.366 -5.116) 8.833 9.061 ( 3.365 -6.366 -5.116) 8.833 9.756 ( -3.234 3.099 0.626) 4.523 9.756 ( 3.234 3.099 0.626) 4.523 9.817 ( -3.378 -1.770 3.372) 5.091 9.817 ( 3.379 -1.770 3.372) 5.091 10.134 ( -5.774 4.325 -7.712) 10.560 10.134 ( 5.774 4.325 -7.712) 10.560 10.252 ( -5.680 -6.312 -7.430) 11.283 10.252 ( 5.680 -6.312 -7.430) 11.283 11.928 ( -6.733 14.384 7.779) 17.685 11.928 ( 6.733 14.384 7.779) 17.685 12.191 ( -4.021 -9.648 4.561) 11.405 12.191 ( 4.021 -9.648 4.561) 11.405 13.783 ( -7.793 10.166 -2.769) 13.105 13.783 ( 7.793 10.166 -2.769) 13.105 14.012 ( -6.182 -11.253 -5.514) 13.973 14.012 ( 6.182 -11.253 -5.514) 13.973 ======================= Grid point 252 (81/120) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 0.000 0.000 22.140) 22.140 2.296 ( 0.000 0.000 22.425) 22.425 2.887 ( 0.000 0.000 1.733) 1.733 3.060 ( 0.000 0.000 -3.332) 3.332 3.668 ( 0.000 0.000 29.897) 29.897 3.733 ( 0.000 0.000 -12.778) 12.778 3.769 ( 0.000 0.000 -6.217) 6.217 3.867 ( 0.000 0.000 7.635) 7.635 4.234 ( 0.000 0.000 1.211) 1.211 4.420 ( 0.000 0.000 2.845) 2.845 4.681 ( 0.000 0.000 13.735) 13.735 4.794 ( 0.000 0.000 8.019) 8.019 5.176 ( 0.000 0.000 3.911) 3.911 5.451 ( 0.000 0.000 -3.664) 3.664 5.493 ( 0.000 0.000 0.401) 0.401 5.532 ( 0.000 0.000 -10.096) 10.096 5.804 ( 0.000 0.000 -10.261) 10.261 5.876 ( 0.000 0.000 -10.544) 10.544 6.178 ( 0.000 0.000 3.390) 3.390 6.589 ( 0.000 0.000 -17.572) 17.572 6.667 ( 0.000 0.000 -1.496) 1.496 6.713 ( 0.000 0.000 -3.880) 3.880 7.100 ( 0.000 0.000 8.292) 8.292 7.465 ( 0.000 0.000 7.611) 7.611 7.483 ( 0.000 0.000 11.428) 11.428 7.652 ( 0.000 0.000 -7.255) 7.255 8.012 ( 0.000 0.000 -6.257) 6.257 8.077 ( 0.000 0.000 3.327) 3.327 8.144 ( 0.000 0.000 1.550) 1.550 8.306 ( 0.000 0.000 -11.755) 11.755 9.231 ( 0.000 0.000 -5.197) 5.197 9.325 ( 0.000 0.000 -6.120) 6.120 9.513 ( 0.000 0.000 -2.197) 2.197 9.513 ( 0.000 0.000 -2.664) 2.664 9.779 ( 0.000 0.000 5.010) 5.010 10.062 ( 0.000 0.000 -11.714) 11.714 10.164 ( 0.000 0.000 -2.849) 2.849 10.282 ( 0.000 0.000 -6.762) 6.762 10.331 ( 0.000 0.000 6.120) 6.120 10.624 ( 0.000 0.000 -2.308) 2.308 11.338 ( 0.000 0.000 8.874) 8.874 11.567 ( 0.000 0.000 5.392) 5.392 11.772 ( 0.000 0.000 -0.531) 0.531 11.906 ( 0.000 0.000 -7.082) 7.082 13.469 ( 0.000 0.000 7.523) 7.523 14.087 ( 0.000 0.000 -11.674) 11.674 14.289 ( 0.000 0.000 5.739) 5.739 14.479 ( 0.000 0.000 0.147) 0.147 ======================= Grid point 253 (82/120) ======================= q-point: ( 0.12 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 4.429 0.000 20.925) 21.389 2.232 ( -5.093 0.000 22.359) 22.932 2.882 ( -0.416 0.000 0.273) 0.497 3.043 ( -1.954 0.000 -2.721) 3.350 3.625 ( -4.869 0.000 -5.322) 7.213 3.676 ( -5.390 0.000 16.681) 17.530 3.895 ( 4.430 0.000 15.819) 16.427 3.895 ( 6.557 0.000 -10.908) 12.727 4.108 ( -7.500 0.000 2.341) 7.857 4.491 ( 6.292 0.000 2.961) 6.954 4.628 ( -2.624 0.000 15.204) 15.429 4.885 ( 7.048 0.000 4.369) 8.292 5.213 ( 2.967 0.000 5.303) 6.076 5.421 ( 0.257 0.000 1.122) 1.151 5.505 ( -2.812 0.000 -9.825) 10.220 5.636 ( 10.761 0.000 -3.243) 11.239 5.767 ( -4.096 0.000 -7.622) 8.652 5.852 ( -2.667 0.000 -10.219) 10.562 6.173 ( -0.333 0.000 2.499) 2.521 6.534 ( -5.848 0.000 -16.249) 17.270 6.572 ( -11.232 0.000 1.801) 11.376 6.638 ( -5.230 0.000 -2.414) 5.760 7.064 ( -2.543 0.000 7.728) 8.136 7.277 ( -3.438 0.000 7.062) 7.855 7.591 ( -5.378 0.000 -7.956) 9.603 7.790 ( 12.330 0.000 1.214) 12.390 7.940 ( -2.158 0.000 -2.686) 3.445 8.206 ( 8.953 0.000 2.840) 9.393 8.225 ( 10.579 0.000 1.489) 10.684 8.396 ( 6.333 0.000 -9.269) 11.226 9.244 ( 1.454 0.000 -4.783) 4.999 9.322 ( -0.244 0.000 -5.503) 5.508 9.468 ( -2.617 0.000 -1.452) 2.992 9.544 ( 1.050 0.000 -2.859) 3.046 9.753 ( -2.592 0.000 4.332) 5.048 10.052 ( -8.754 0.000 -3.219) 9.327 10.088 ( 2.465 0.000 -12.065) 12.315 10.317 ( -1.351 0.000 6.186) 6.332 10.327 ( 2.388 0.000 -6.341) 6.776 10.593 ( -3.187 0.000 -1.521) 3.532 11.375 ( 3.763 0.000 7.788) 8.649 11.573 ( 0.675 0.000 4.771) 4.819 11.764 ( -0.811 0.000 -0.554) 0.982 11.902 ( -0.457 0.000 -6.911) 6.926 13.507 ( 3.837 0.000 7.048) 8.025 14.098 ( 1.018 0.000 -11.280) 11.326 14.250 ( -3.864 0.000 6.102) 7.222 14.462 ( -1.836 0.000 -0.300) 1.860 ======================= Grid point 254 (83/120) ======================= q-point: ( 0.25 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 0.622 0.000 19.739) 19.749 2.314 ( 7.746 0.000 17.639) 19.265 2.887 ( 1.406 0.000 -2.931) 3.251 2.974 ( -5.504 0.000 -0.742) 5.554 3.424 ( -18.870 0.000 8.075) 20.525 3.580 ( 0.367 0.000 0.139) 0.392 3.759 ( -14.756 0.000 0.856) 14.781 3.962 ( -0.360 0.000 -5.646) 5.658 4.259 ( 17.078 0.000 17.998) 24.811 4.643 ( 5.162 0.000 10.614) 11.803 4.659 ( 11.391 0.000 3.588) 11.942 5.030 ( 7.987 0.000 -0.912) 8.039 5.239 ( -1.439 0.000 8.228) 8.353 5.427 ( -5.348 0.000 -8.908) 10.390 5.467 ( 3.960 0.000 2.250) 4.555 5.647 ( -7.137 0.000 0.920) 7.196 5.766 ( -6.610 0.000 -10.182) 12.139 5.857 ( 11.239 0.000 -2.826) 11.589 6.173 ( 0.375 0.000 0.903) 0.978 6.331 ( -12.316 0.000 4.763) 13.205 6.388 ( -8.347 0.000 -10.461) 13.383 6.524 ( -6.667 0.000 -1.133) 6.762 7.044 ( 0.783 0.000 2.689) 2.801 7.312 ( 5.942 0.000 1.732) 6.190 7.472 ( -7.005 0.000 -8.735) 11.197 7.787 ( -3.796 0.000 -10.799) 11.446 8.096 ( 9.758 0.000 6.174) 11.547 8.383 ( 10.451 0.000 2.270) 10.695 8.473 ( 1.019 0.000 -5.944) 6.031 8.480 ( 13.558 0.000 1.017) 13.596 9.283 ( 2.335 0.000 -3.568) 4.264 9.320 ( 0.112 0.000 -4.012) 4.013 9.420 ( -2.227 0.000 -0.064) 2.227 9.549 ( -0.561 0.000 -2.666) 2.724 9.696 ( -2.870 0.000 2.678) 3.925 9.882 ( -8.282 0.000 -4.179) 9.277 10.149 ( 3.679 0.000 -11.124) 11.716 10.286 ( -1.607 0.000 6.208) 6.413 10.350 ( 0.033 0.000 -7.876) 7.876 10.508 ( -5.566 0.000 0.443) 5.584 11.473 ( 6.299 0.000 5.093) 8.100 11.593 ( 1.410 0.000 3.276) 3.567 11.741 ( -1.537 0.000 -0.539) 1.629 11.883 ( -1.751 0.000 -6.230) 6.471 13.601 ( 5.764 0.000 6.317) 8.552 14.100 ( -3.106 0.000 -3.646) 4.790 14.178 ( -1.213 0.000 0.323) 1.255 14.413 ( -3.156 0.000 -1.592) 3.534 ======================= Grid point 255 (84/120) ======================= q-point: ( 0.38 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 11.083 0.000 14.070) 17.911 2.479 ( 9.494 0.000 13.057) 16.143 2.839 ( -8.502 0.000 3.032) 9.026 2.914 ( -5.749 0.000 -4.041) 7.027 3.068 ( -9.808 0.000 6.074) 11.536 3.461 ( -15.869 0.000 -2.873) 16.127 3.634 ( 5.000 0.000 4.024) 6.418 3.889 ( -6.360 0.000 2.525) 6.842 4.588 ( 16.616 0.000 15.515) 22.733 4.814 ( 11.811 0.000 2.076) 11.992 4.896 ( 11.942 0.000 5.108) 12.989 5.145 ( -7.116 0.000 9.532) 11.895 5.164 ( 3.647 0.000 -4.644) 5.905 5.319 ( -3.649 0.000 -7.730) 8.548 5.425 ( -9.231 0.000 0.167) 9.233 5.604 ( -10.093 0.000 -10.806) 14.786 5.652 ( 8.175 0.000 9.973) 12.895 5.996 ( -1.380 0.000 7.167) 7.299 6.167 ( -0.693 0.000 -1.311) 1.483 6.183 ( 0.690 0.000 -0.116) 0.700 6.259 ( -4.742 0.000 -4.478) 6.522 6.396 ( -6.693 0.000 -0.383) 6.704 7.092 ( 4.156 0.000 -3.182) 5.234 7.332 ( -7.530 0.000 -8.585) 11.419 7.466 ( 9.324 0.000 -2.679) 9.701 7.725 ( -3.369 0.000 -9.455) 10.037 8.230 ( 5.119 0.000 3.992) 6.491 8.433 ( -4.740 0.000 -2.246) 5.245 8.579 ( 9.517 0.000 1.895) 9.704 8.684 ( 6.792 0.000 0.052) 6.792 9.319 ( 1.156 0.000 -1.718) 2.071 9.327 ( 0.573 0.000 -2.736) 2.795 9.399 ( 0.590 0.000 0.977) 1.141 9.517 ( -2.876 0.000 -1.659) 3.321 9.663 ( -0.308 0.000 -0.163) 0.348 9.755 ( -5.116 0.000 -4.103) 6.558 10.220 ( 3.676 0.000 -10.762) 11.373 10.269 ( 0.168 0.000 5.776) 5.778 10.332 ( -1.832 0.000 -9.652) 9.824 10.396 ( -5.873 0.000 2.725) 6.474 11.604 ( 7.174 0.000 1.547) 7.339 11.625 ( 1.995 0.000 1.648) 2.588 11.707 ( -2.048 0.000 -0.285) 2.068 11.830 ( -3.964 0.000 -4.665) 6.122 13.718 ( 6.454 0.000 6.123) 8.897 13.984 ( -7.316 0.000 5.196) 8.973 14.211 ( 3.070 0.000 -6.379) 7.079 14.347 ( -3.715 0.000 -3.461) 5.078 ======================= Grid point 256 (85/120) ======================= q-point: (-0.50 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( -19.124 0.000 8.010) 20.734 2.580 ( 19.124 0.000 8.010) 20.734 2.664 ( -9.741 0.000 7.943) 12.569 2.664 ( 9.741 0.000 7.943) 12.569 3.185 ( -12.483 0.000 -3.822) 13.055 3.185 ( 12.483 0.000 -3.822) 13.055 3.754 ( -7.239 0.000 5.293) 8.968 3.754 ( 7.239 0.000 5.293) 8.968 4.870 ( -12.577 0.000 12.843) 17.975 4.870 ( 12.577 0.000 12.843) 17.975 5.047 ( -11.651 0.000 -2.749) 11.970 5.047 ( 11.651 0.000 -2.749) 11.970 5.213 ( -12.134 0.000 2.870) 12.469 5.213 ( 12.134 0.000 2.870) 12.469 5.411 ( -9.447 0.000 -9.803) 13.614 5.411 ( 9.447 0.000 -9.803) 13.614 5.839 ( -10.554 0.000 10.426) 14.836 5.839 ( 10.554 0.000 10.426) 14.836 6.203 ( -1.629 0.000 -1.394) 2.144 6.203 ( 1.629 0.000 -1.394) 2.144 6.268 ( -6.971 0.000 -1.263) 7.084 6.268 ( 6.971 0.000 -1.263) 7.084 7.196 ( -6.590 0.000 -6.952) 9.579 7.196 ( 6.590 0.000 -6.952) 9.579 7.629 ( -7.137 0.000 -6.611) 9.729 7.629 ( 7.137 0.000 -6.611) 9.729 8.327 ( -5.613 0.000 1.281) 5.757 8.327 ( 5.613 0.000 1.281) 5.757 8.712 ( -3.598 0.000 0.699) 3.665 8.712 ( 3.598 0.000 0.699) 3.665 9.331 ( -0.282 0.000 -1.556) 1.581 9.331 ( 0.282 0.000 -1.556) 1.581 9.447 ( -3.940 0.000 0.093) 3.941 9.447 ( 3.940 0.000 0.093) 3.941 9.685 ( -2.438 0.000 -2.769) 3.690 9.685 ( 2.438 0.000 -2.769) 3.690 10.285 ( -3.033 0.000 -10.507) 10.936 10.285 ( 3.033 0.000 -10.507) 10.936 10.303 ( -3.502 0.000 4.604) 5.784 10.303 ( 3.502 0.000 4.604) 5.784 11.666 ( -2.222 0.000 0.412) 2.260 11.666 ( 2.222 0.000 0.412) 2.260 11.733 ( -6.188 0.000 -1.980) 6.497 11.733 ( 6.188 0.000 -1.980) 6.497 13.846 ( -7.070 0.000 6.143) 9.366 13.846 ( 7.070 0.000 6.143) 9.366 14.276 ( -3.678 0.000 -5.361) 6.502 14.276 ( 3.678 0.000 -5.361) 6.502 ======================= Grid point 261 (86/120) ======================= q-point: ( 0.00 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 0.000 -2.111 19.385) 19.500 2.285 ( 0.000 11.689 17.832) 21.322 2.798 ( 0.000 -7.941 3.463) 8.663 3.130 ( 0.000 6.442 -3.796) 7.477 3.664 ( 0.000 -6.201 -3.345) 7.046 3.679 ( 0.000 4.286 22.597) 23.000 3.867 ( 0.000 5.864 -0.224) 5.868 3.894 ( 0.000 2.859 6.791) 7.368 4.309 ( 0.000 6.271 4.033) 7.456 4.359 ( 0.000 -3.653 4.345) 5.677 4.648 ( 0.000 -10.607 5.583) 11.986 4.800 ( 0.000 8.528 9.317) 12.630 5.186 ( 0.000 -1.759 5.261) 5.548 5.447 ( 0.000 -3.448 -8.877) 9.523 5.455 ( 0.000 -4.232 -4.880) 6.459 5.492 ( 0.000 0.296 -0.654) 0.718 5.806 ( 0.000 -0.085 -10.549) 10.549 5.921 ( 0.000 3.886 -10.536) 11.229 6.159 ( 0.000 -1.635 2.283) 2.809 6.355 ( 0.000 -13.483 -10.612) 17.158 6.748 ( 0.000 3.143 -2.478) 4.002 6.848 ( 0.000 8.183 -6.326) 10.343 7.059 ( 0.000 -3.234 7.295) 7.980 7.347 ( 0.000 -8.904 3.262) 9.483 7.509 ( 0.000 2.038 10.348) 10.547 7.702 ( 0.000 2.646 -3.251) 4.192 7.789 ( 0.000 -9.574 -0.501) 9.587 8.052 ( 0.000 -5.639 -2.133) 6.029 8.327 ( 0.000 12.723 -2.200) 12.912 8.448 ( 0.000 10.233 -7.831) 12.886 9.112 ( 0.000 -8.922 -5.142) 10.298 9.247 ( 0.000 -5.375 -6.794) 8.663 9.542 ( 0.000 0.763 -1.555) 1.732 9.574 ( 0.000 3.903 -1.577) 4.210 9.824 ( 0.000 3.720 4.198) 5.609 9.946 ( 0.000 -8.925 -9.732) 13.205 10.143 ( 0.000 0.058 -3.000) 3.001 10.317 ( 0.000 3.042 -6.197) 6.903 10.441 ( 0.000 8.372 5.735) 10.148 10.703 ( 0.000 4.713 -1.353) 4.904 11.259 ( 0.000 -3.761 6.516) 7.523 11.671 ( 0.000 -1.994 -4.932) 5.319 11.735 ( 0.000 12.381 7.222) 14.333 12.084 ( 0.000 8.852 -3.545) 9.535 13.449 ( 0.000 -1.232 6.276) 6.396 14.016 ( 0.000 -6.752 -11.260) 13.129 14.265 ( 0.000 -2.149 4.923) 5.371 14.460 ( 0.000 -1.908 -0.482) 1.968 ======================= Grid point 262 (87/120) ======================= q-point: ( 0.12 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -3.344 0.248 18.801) 19.097 2.346 ( 4.711 11.521 18.005) 21.888 2.784 ( -1.101 -7.624 1.578) 7.863 3.128 ( -0.595 6.974 -2.469) 7.422 3.606 ( -4.513 -3.513 0.274) 5.726 3.657 ( -5.919 -0.503 14.827) 15.972 3.850 ( 1.743 1.054 -1.089) 2.310 4.014 ( 8.337 7.270 9.479) 14.567 4.158 ( -9.074 3.822 1.359) 9.939 4.468 ( 7.656 -0.440 7.382) 10.644 4.652 ( -0.544 -5.332 6.626) 8.522 4.808 ( 2.255 0.989 6.534) 6.982 5.213 ( 2.032 -2.979 5.281) 6.395 5.395 ( -2.364 -4.074 -6.747) 8.228 5.469 ( 1.618 -1.642 -2.160) 3.159 5.612 ( 8.072 -1.611 -3.804) 9.068 5.777 ( -3.123 0.793 -8.041) 8.662 5.910 ( -0.878 4.649 -9.707) 10.798 6.160 ( -0.047 -1.169 1.572) 1.959 6.321 ( -3.360 -12.149 -9.618) 15.855 6.612 ( -12.512 2.254 0.744) 12.735 6.771 ( -7.654 6.002 -4.844) 10.865 7.046 ( -1.029 -1.497 6.515) 6.764 7.240 ( -2.408 -3.575 4.125) 5.967 7.563 ( -2.970 -1.611 -3.791) 5.079 7.780 ( 7.290 -1.355 -2.155) 7.721 7.877 ( 6.409 -2.621 1.225) 7.032 8.116 ( 9.065 -5.970 0.473) 10.864 8.370 ( 4.907 10.558 -0.815) 11.671 8.518 ( 5.462 8.860 -6.605) 12.327 9.124 ( 1.189 -8.955 -4.807) 10.233 9.236 ( -0.880 -5.535 -6.343) 8.464 9.543 ( -0.062 2.308 -1.618) 2.819 9.571 ( -0.252 2.716 -1.385) 3.059 9.794 ( -2.694 3.391 3.446) 5.534 9.973 ( 2.326 -8.511 -9.923) 13.279 10.062 ( -6.934 1.534 -2.824) 7.642 10.323 ( -0.398 1.741 -5.134) 5.436 10.424 ( -1.632 6.847 4.479) 8.343 10.643 ( -5.525 2.558 -0.371) 6.100 11.325 ( 6.184 -2.125 5.257) 8.390 11.683 ( 1.388 -0.202 -4.803) 5.003 11.734 ( -0.158 12.261 7.069) 14.153 12.086 ( 0.089 9.693 -3.717) 10.382 13.481 ( 3.213 -1.897 5.974) 7.044 14.028 ( 1.186 -6.628 -10.986) 12.885 14.224 ( -4.089 -2.334 5.375) 7.146 14.440 ( -2.091 -2.149 -0.882) 3.126 ======================= Grid point 263 (88/120) ======================= q-point: ( 0.25 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 1.973 1.976 17.171) 17.396 2.461 ( 7.176 12.900 16.072) 21.822 2.778 ( 0.947 -6.891 -2.251) 7.311 3.089 ( -3.768 7.761 0.376) 8.636 3.416 ( -17.374 -0.362 7.660) 18.991 3.539 ( -3.198 -3.176 5.364) 7.007 3.850 ( -7.966 6.042 -2.291) 10.257 3.951 ( -1.963 0.880 -5.460) 5.869 4.279 ( 12.686 2.318 17.435) 21.687 4.637 ( 6.793 -3.332 10.517) 12.955 4.666 ( 6.951 -0.456 3.468) 7.782 4.893 ( 6.012 -6.584 1.076) 8.981 5.225 ( -1.442 -5.632 3.847) 6.972 5.358 ( -1.835 -3.358 -6.640) 7.664 5.521 ( 3.439 1.632 1.606) 4.132 5.657 ( -4.634 -0.989 1.022) 4.847 5.724 ( -2.975 0.614 -8.080) 8.632 5.936 ( 5.075 5.024 -4.860) 8.638 6.146 ( -1.945 -2.250 1.165) 3.194 6.242 ( -4.653 -7.953 -5.725) 10.848 6.381 ( -9.552 3.291 2.188) 10.337 6.603 ( -8.713 3.701 -2.589) 9.814 7.034 ( 0.081 -1.584 2.402) 2.878 7.257 ( 2.101 -4.126 -0.931) 4.722 7.520 ( -0.889 3.855 -4.752) 6.183 7.762 ( -2.479 -1.409 -9.287) 9.715 8.088 ( 10.115 -0.677 5.121) 11.358 8.321 ( 9.706 -6.156 -0.385) 11.500 8.495 ( 7.069 6.856 0.268) 9.851 8.612 ( 4.736 6.952 -3.104) 8.966 9.146 ( 0.821 -9.282 -3.531) 9.965 9.229 ( 0.477 -5.392 -5.250) 7.541 9.539 ( -0.237 5.536 -1.166) 5.662 9.569 ( 0.072 0.636 -1.695) 1.812 9.738 ( -2.827 3.902 2.699) 5.523 9.907 ( -7.550 2.401 -4.678) 9.200 10.041 ( 3.535 -8.158 -8.934) 12.604 10.284 ( -3.457 -0.352 -2.441) 4.246 10.386 ( -2.325 3.266 1.207) 4.187 10.522 ( -6.690 0.085 0.181) 6.693 11.460 ( 7.249 -0.936 3.779) 8.229 11.716 ( 0.399 6.668 1.135) 6.776 11.737 ( 2.325 9.822 0.894) 10.133 12.078 ( -1.167 11.563 -4.105) 12.326 13.562 ( 5.138 -3.225 5.547) 8.220 14.043 ( -1.300 -5.518 -6.756) 8.819 14.137 ( -3.080 -3.573 2.932) 5.554 14.384 ( -3.591 -2.794 -2.039) 4.986 ======================= Grid point 264 (89/120) ======================= q-point: ( 0.38 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 11.267 3.027 12.780) 17.304 2.605 ( 7.741 11.338 12.538) 18.592 2.804 ( -0.566 -2.675 -1.955) 3.361 2.980 ( -12.083 5.528 2.641) 13.548 3.091 ( -8.266 2.271 5.643) 10.263 3.421 ( -11.017 -1.882 1.402) 11.264 3.736 ( -0.111 7.743 -0.296) 7.750 3.908 ( -4.420 1.845 1.510) 5.022 4.509 ( 11.501 -6.200 11.884) 17.662 4.737 ( 4.163 -9.889 4.962) 11.822 4.871 ( 10.413 -5.514 6.242) 13.334 5.017 ( 6.063 0.695 1.149) 6.210 5.176 ( -1.500 -7.444 1.459) 7.733 5.316 ( -2.276 1.018 -6.153) 6.639 5.486 ( -6.370 1.055 -0.968) 6.529 5.579 ( -10.357 -0.025 -9.185) 13.844 5.687 ( 7.207 3.366 9.306) 12.242 5.995 ( -3.702 -0.254 6.888) 7.824 6.104 ( 0.512 -0.917 -1.547) 1.870 6.161 ( -3.088 -4.873 -0.442) 5.786 6.301 ( 0.766 5.658 -1.525) 5.909 6.467 ( -5.871 4.186 -1.951) 7.470 7.059 ( 2.787 -3.630 -2.704) 5.315 7.240 ( -4.234 -6.036 -6.228) 9.652 7.568 ( 5.920 7.111 -3.684) 9.959 7.737 ( -0.993 1.655 -8.202) 8.426 8.223 ( 4.904 -0.772 3.579) 6.120 8.397 ( -2.067 -3.418 -1.377) 4.225 8.624 ( 7.064 4.027 0.985) 8.190 8.714 ( 4.541 2.729 -0.472) 5.319 9.165 ( 1.745 -8.742 -2.199) 9.181 9.240 ( -0.068 -5.506 -3.336) 6.438 9.541 ( 0.652 6.516 -0.947) 6.617 9.571 ( 0.049 1.845 -2.656) 3.235 9.700 ( -0.929 4.751 1.727) 5.139 9.783 ( -5.259 3.196 -3.091) 6.886 10.109 ( 3.325 -8.888 -9.951) 13.750 10.212 ( -3.553 -4.393 -2.568) 6.206 10.341 ( -1.993 0.687 0.806) 2.257 10.406 ( -5.212 -0.595 -0.865) 5.317 11.579 ( 5.053 -0.126 3.476) 6.134 11.697 ( -1.732 7.501 4.864) 9.107 11.824 ( 5.935 12.397 -3.696) 14.233 12.034 ( -3.646 13.305 -4.379) 14.474 13.670 ( 6.243 -4.138 5.515) 9.301 13.940 ( -7.461 -3.956 4.051) 9.366 14.157 ( 3.257 -5.174 -5.799) 8.426 14.309 ( -4.228 -3.670 -3.711) 6.717 ======================= Grid point 265 (90/120) ======================= q-point: (-0.50 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( -17.774 2.201 7.820) 19.542 2.602 ( 17.774 2.201 7.820) 19.542 2.751 ( -7.746 7.752 7.150) 13.085 2.751 ( 7.746 7.752 7.150) 13.085 3.185 ( -11.577 0.527 -1.919) 11.747 3.185 ( 11.577 0.527 -1.919) 11.747 3.804 ( -5.596 4.623 3.756) 8.173 3.804 ( 5.596 4.623 3.756) 8.173 4.702 ( -7.702 -13.229 5.783) 16.363 4.702 ( 7.702 -13.229 5.783) 16.363 5.019 ( -5.010 -3.576 7.183) 9.460 5.019 ( 5.010 -3.576 7.183) 9.460 5.272 ( -6.326 1.896 -3.298) 7.382 5.272 ( 6.326 1.896 -3.298) 7.382 5.405 ( -2.338 0.325 -7.141) 7.521 5.405 ( 2.338 0.325 -7.141) 7.521 5.852 ( -9.085 1.562 10.005) 13.605 5.852 ( 9.085 1.562 10.005) 13.605 6.127 ( -1.026 -2.920 0.496) 3.134 6.127 ( 1.026 -2.920 0.496) 3.134 6.366 ( -4.903 5.588 -2.164) 7.743 6.366 ( 4.903 5.588 -2.164) 7.743 7.139 ( -5.392 -5.197 -6.164) 9.699 7.139 ( 5.392 -5.197 -6.164) 9.699 7.685 ( -4.997 5.110 -5.919) 9.280 7.685 ( 4.997 5.110 -5.919) 9.280 8.313 ( -5.145 -1.516 1.263) 5.510 8.313 ( 5.145 -1.516 1.263) 5.510 8.730 ( -3.040 1.685 0.256) 3.485 8.730 ( 3.040 1.685 0.256) 3.485 9.213 ( -2.641 -6.904 -2.111) 7.688 9.213 ( 2.641 -6.904 -2.111) 7.688 9.561 ( -1.130 5.273 -2.058) 5.772 9.561 ( 1.130 5.273 -2.058) 5.772 9.711 ( -2.240 3.883 -0.362) 4.498 9.711 ( 2.240 3.883 -0.362) 4.498 10.160 ( -2.211 -8.095 -6.712) 10.745 10.160 ( 2.211 -8.095 -6.712) 10.745 10.336 ( -1.860 -0.243 -0.205) 1.887 10.336 ( 1.860 -0.243 -0.205) 1.887 11.653 ( -2.992 3.596 4.110) 6.227 11.653 ( 2.992 3.596 4.110) 6.227 11.941 ( -5.920 14.048 -4.236) 15.822 11.941 ( 5.920 14.048 -4.236) 15.822 13.798 ( -7.235 -4.247 5.478) 10.019 13.798 ( 7.235 -4.247 5.478) 10.019 14.229 ( -4.150 -4.566 -5.352) 8.168 14.229 ( 4.150 -4.566 -5.352) 8.168 ======================= Grid point 270 (91/120) ======================= q-point: ( 0.00 0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 0.000 -1.416 13.352) 13.427 2.496 ( 0.000 -0.355 2.627) 2.651 2.679 ( 0.000 5.398 16.038) 16.922 3.279 ( 0.000 5.699 -3.676) 6.782 3.520 ( 0.000 -5.671 7.713) 9.573 3.862 ( 0.000 12.361 15.451) 19.787 3.944 ( 0.000 0.460 -0.155) 0.485 4.004 ( 0.000 8.266 11.010) 13.768 4.300 ( 0.000 -2.372 2.450) 3.410 4.313 ( 0.000 -6.133 16.745) 17.832 4.603 ( 0.000 7.657 -3.232) 8.311 4.943 ( 0.000 3.706 7.409) 8.284 5.073 ( 0.000 -7.948 6.392) 10.199 5.247 ( 0.000 -11.223 -9.842) 14.927 5.434 ( 0.000 -1.715 -1.894) 2.555 5.491 ( 0.000 -1.124 -2.700) 2.925 5.804 ( 0.000 0.270 -11.798) 11.802 6.007 ( 0.000 3.881 -11.912) 12.528 6.095 ( 0.000 -11.162 -7.124) 13.241 6.124 ( 0.000 -1.551 -0.674) 1.691 6.825 ( 0.000 3.900 0.080) 3.901 6.926 ( 0.000 -0.940 1.292) 1.598 7.021 ( 0.000 0.193 -0.040) 0.197 7.161 ( 0.000 -8.425 0.510) 8.440 7.562 ( 0.000 3.677 7.062) 7.962 7.682 ( 0.000 -1.104 1.179) 1.616 7.729 ( 0.000 0.034 -0.758) 0.758 7.944 ( 0.000 -5.128 -2.404) 5.663 8.549 ( 0.000 8.615 -4.244) 9.603 8.671 ( 0.000 11.023 -7.972) 13.603 8.933 ( 0.000 -7.823 -4.228) 8.892 9.157 ( 0.000 -3.215 -6.759) 7.484 9.527 ( 0.000 -1.827 -1.019) 2.092 9.587 ( 0.000 -4.526 -3.673) 5.828 9.821 ( 0.000 -0.527 -4.296) 4.328 9.895 ( 0.000 2.589 2.882) 3.874 10.193 ( 0.000 4.634 -3.277) 5.676 10.383 ( 0.000 2.985 -5.314) 6.095 10.595 ( 0.000 5.024 5.153) 7.197 10.726 ( 0.000 -2.626 2.596) 3.692 11.272 ( 0.000 6.410 5.668) 8.556 11.754 ( 0.000 8.795 -8.432) 12.184 11.987 ( 0.000 10.937 6.305) 12.624 12.143 ( 0.000 -3.799 0.971) 3.921 13.456 ( 0.000 2.286 3.310) 4.023 13.833 ( 0.000 -10.267 -9.199) 13.785 14.221 ( 0.000 -1.490 1.960) 2.462 14.402 ( 0.000 -3.773 -2.116) 4.326 ======================= Grid point 271 (92/120) ======================= q-point: ( 0.12 0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -0.017 0.959 13.526) 13.560 2.534 ( 3.753 -2.579 1.219) 4.714 2.709 ( 2.877 8.625 15.853) 18.275 3.267 ( -1.553 3.776 -2.014) 4.552 3.511 ( -0.594 -2.940 8.307) 8.832 3.713 ( -11.888 6.954 12.043) 18.296 3.911 ( 0.266 3.814 -1.784) 4.219 4.183 ( 8.759 6.469 14.921) 18.472 4.220 ( -4.802 2.747 -0.369) 5.544 4.359 ( 2.650 -9.559 12.458) 15.925 4.607 ( 1.130 4.905 -1.395) 5.223 4.891 ( -3.953 2.854 6.747) 8.324 5.058 ( -1.746 -10.463 3.991) 11.334 5.260 ( 1.407 -7.822 -7.325) 10.808 5.440 ( 1.883 -2.106 0.885) 2.960 5.565 ( 4.716 -3.520 -4.140) 7.196 5.805 ( 0.210 2.143 -9.192) 9.441 6.000 ( -0.648 2.383 -12.499) 12.740 6.084 ( -0.076 -6.210 0.574) 6.237 6.158 ( 2.143 -1.684 -5.182) 5.855 6.666 ( -13.107 2.787 1.817) 13.523 6.824 ( -9.452 -0.617 0.532) 9.487 7.016 ( -1.156 -1.064 1.170) 1.959 7.147 ( 0.516 -4.920 -0.027) 4.947 7.577 ( 0.437 3.519 0.151) 3.550 7.763 ( 4.411 0.215 -2.474) 5.062 7.844 ( 9.575 -1.479 2.962) 10.131 7.999 ( 8.215 -5.389 0.140) 9.825 8.577 ( 3.109 8.763 -3.190) 9.830 8.709 ( 2.982 9.517 -6.604) 11.962 8.947 ( 1.472 -7.779 -4.691) 9.202 9.140 ( -1.497 -3.641 -6.806) 7.863 9.531 ( 0.429 -1.916 -1.180) 2.290 9.590 ( 0.244 -3.686 -3.540) 5.116 9.824 ( 0.140 0.315 -3.056) 3.075 9.892 ( 0.035 1.758 1.281) 2.176 10.129 ( -6.136 4.827 -3.165) 8.424 10.359 ( -2.983 1.224 -6.027) 6.836 10.551 ( -4.431 4.058 4.877) 7.738 10.646 ( -7.121 -2.058 2.387) 7.787 11.353 ( 7.300 6.227 5.619) 11.119 11.800 ( 4.541 9.669 -7.886) 13.278 11.993 ( 0.496 11.622 6.440) 13.297 12.171 ( 2.597 -2.434 0.753) 3.638 13.470 ( 1.532 1.487 3.162) 3.815 13.848 ( 1.527 -10.174 -9.232) 13.823 14.175 ( -4.615 -1.697 2.473) 5.504 14.374 ( -2.817 -4.215 -2.384) 5.602 ======================= Grid point 272 (93/120) ======================= q-point: ( 0.25 0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 4.489 4.554 12.583) 14.115 2.628 ( 5.888 -5.384 -1.033) 8.045 2.782 ( 4.748 13.944 14.327) 20.548 3.208 ( -4.771 1.137 2.383) 5.453 3.443 ( -13.913 3.049 7.705) 16.194 3.520 ( -1.575 5.488 7.185) 9.177 3.928 ( 0.965 3.848 1.274) 4.167 4.044 ( -9.160 5.070 -5.776) 11.957 4.353 ( 4.553 2.942 11.945) 13.117 4.405 ( 2.106 -14.941 6.860) 16.574 4.649 ( 3.336 -1.316 3.457) 4.981 4.876 ( 3.472 -0.344 3.662) 5.057 5.020 ( -1.284 -9.644 1.948) 9.923 5.297 ( 2.074 -3.868 -4.590) 6.351 5.476 ( -0.043 -4.769 -0.694) 4.819 5.622 ( 2.201 -1.924 -0.375) 2.948 5.792 ( -2.566 4.163 -4.649) 6.747 6.000 ( 0.498 -1.008 -3.906) 4.065 6.091 ( 0.810 0.493 2.324) 2.510 6.173 ( -1.040 0.056 -4.422) 4.542 6.455 ( -7.117 3.808 1.324) 8.180 6.647 ( -7.558 0.679 -1.184) 7.681 6.974 ( -2.582 -3.222 0.679) 4.184 7.166 ( -0.189 -5.042 -2.354) 5.568 7.618 ( 3.926 5.750 -1.704) 7.168 7.763 ( 0.166 1.459 -5.720) 5.905 8.067 ( 10.197 -1.452 3.744) 10.959 8.194 ( 9.754 -5.935 0.467) 11.428 8.656 ( 4.533 7.877 -1.531) 9.217 8.752 ( 1.605 6.722 -3.656) 7.819 8.978 ( 1.376 -6.806 -4.296) 8.165 9.121 ( 0.076 -4.838 -6.964) 8.480 9.545 ( 1.010 -1.864 -1.953) 2.883 9.599 ( 0.868 -1.460 -3.188) 3.612 9.823 ( 0.002 3.832 0.815) 3.917 9.911 ( 1.947 -1.092 -3.994) 4.575 9.991 ( -7.589 4.116 -3.332) 9.254 10.261 ( -7.182 -2.213 -5.699) 9.432 10.446 ( -6.162 1.683 3.792) 7.428 10.499 ( -7.844 -1.965 0.820) 8.128 11.511 ( 8.865 7.280 5.913) 12.906 11.898 ( 4.226 10.778 -3.996) 12.247 12.009 ( 2.061 12.935 4.103) 13.726 12.224 ( 2.510 1.159 -0.045) 2.765 13.514 ( 3.121 -0.389 2.983) 4.335 13.886 ( 1.998 -9.257 -8.898) 12.994 14.062 ( -6.562 -2.839 3.380) 7.909 14.300 ( -4.811 -5.389 -3.181) 7.894 ======================= Grid point 273 (94/120) ======================= q-point: ( 0.38 0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 11.404 6.027 9.950) 16.290 2.745 ( 6.021 -2.481 -0.088) 6.513 2.863 ( 1.300 9.838 10.355) 14.343 3.088 ( -10.161 2.342 4.961) 11.547 3.179 ( -6.816 9.338 4.900) 12.557 3.455 ( -7.635 6.804 3.667) 10.864 3.897 ( -1.381 6.868 -0.888) 7.062 3.969 ( -0.746 4.349 1.194) 4.571 4.375 ( 0.105 -6.411 5.946) 8.744 4.426 ( -0.225 -17.914 2.784) 18.131 4.752 ( 6.683 -5.967 5.949) 10.755 4.914 ( -1.287 -16.240 0.911) 16.317 5.098 ( 9.489 4.791 2.066) 10.829 5.329 ( 1.883 -2.262 -5.495) 6.233 5.405 ( -6.323 -3.003 -1.608) 7.182 5.607 ( -7.516 -0.524 -4.973) 9.027 5.783 ( 5.216 5.554 8.574) 11.470 5.988 ( -1.855 -0.335 5.554) 5.865 6.103 ( -0.433 0.522 4.383) 4.435 6.136 ( -1.854 1.454 -1.354) 2.717 6.413 ( 1.905 5.523 -1.955) 6.161 6.553 ( -3.380 4.575 -3.239) 6.546 6.946 ( 0.330 -6.687 -2.017) 6.993 7.109 ( -5.388 -7.107 -5.012) 10.231 7.721 ( 6.481 7.670 -2.422) 10.329 7.806 ( 3.226 4.866 -5.190) 7.812 8.194 ( 3.773 -2.161 2.623) 5.078 8.303 ( 0.845 -5.439 -0.218) 5.508 8.729 ( 3.368 5.950 -0.819) 6.886 8.783 ( 1.324 3.670 -1.428) 4.155 9.012 ( 3.041 -5.972 -3.242) 7.444 9.127 ( -0.524 -5.516 -4.965) 7.440 9.573 ( 2.087 -0.612 -3.689) 4.283 9.625 ( 1.520 1.714 -3.646) 4.306 9.834 ( 0.705 7.070 2.566) 7.554 9.871 ( -3.940 2.709 -1.915) 5.151 9.950 ( 1.836 -3.227 -7.603) 8.461 10.111 ( -7.754 -5.387 -5.594) 10.974 10.333 ( -5.038 -1.731 2.805) 6.021 10.367 ( -5.696 -2.746 -0.978) 6.398 11.675 ( 8.224 9.411 6.368) 14.027 11.903 ( -2.915 11.915 4.912) 13.214 12.101 ( 6.277 11.984 -3.085) 13.876 12.248 ( -0.378 5.645 -1.457) 5.843 13.592 ( 5.167 -2.151 3.047) 6.373 13.852 ( -6.665 -3.647 -0.298) 7.604 14.012 ( 2.649 -8.432 -3.664) 9.568 14.200 ( -5.602 -6.924 -4.349) 9.911 ======================= Grid point 274 (95/120) ======================= q-point: (-0.50 0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( -14.579 4.484 7.016) 16.789 2.671 ( 14.579 4.484 7.016) 16.789 2.902 ( -7.253 4.071 5.038) 9.724 2.902 ( 7.253 4.071 5.038) 9.724 3.262 ( -10.461 9.042 1.762) 13.939 3.262 ( 10.461 9.042 1.762) 13.939 3.929 ( -3.153 6.806 2.732) 7.983 3.929 ( 3.153 6.806 2.732) 7.983 4.399 ( -2.099 -15.087 2.372) 15.416 4.399 ( 2.099 -15.087 2.372) 15.416 4.861 ( -4.285 -12.315 3.794) 13.580 4.861 ( 4.285 -12.315 3.794) 13.580 5.273 ( -7.676 0.587 -1.426) 7.829 5.273 ( 7.676 0.587 -1.426) 7.829 5.423 ( -8.988 0.074 -4.251) 9.943 5.423 ( 8.988 0.074 -4.251) 9.943 5.912 ( -6.401 4.122 9.656) 12.296 5.912 ( 6.401 4.122 9.656) 12.296 6.105 ( -1.350 -0.118 2.824) 3.132 6.105 ( 1.350 -0.118 2.824) 3.132 6.482 ( -4.252 6.260 -3.171) 8.206 6.482 ( 4.252 6.260 -3.171) 8.206 7.000 ( -5.079 -8.098 -4.942) 10.761 7.000 ( 5.079 -8.098 -4.942) 10.761 7.821 ( -2.697 7.820 -3.959) 9.170 7.821 ( 2.697 7.820 -3.959) 9.170 8.257 ( -3.761 -4.067 0.996) 5.629 8.257 ( 3.761 -4.067 0.996) 5.629 8.782 ( -1.641 3.428 -0.888) 3.903 8.782 ( 1.641 3.428 -0.888) 3.903 9.085 ( -3.713 -5.708 -3.089) 7.477 9.085 ( 3.713 -5.708 -3.089) 7.477 9.620 ( -2.264 2.028 -5.047) 5.892 9.620 ( 2.264 2.028 -5.047) 5.892 9.842 ( -1.632 5.984 2.479) 6.679 9.842 ( 1.632 5.984 2.479) 6.679 9.996 ( -4.062 -6.070 -8.060) 10.877 9.996 ( 4.062 -6.070 -8.060) 10.877 10.294 ( -1.409 -3.628 0.408) 3.913 10.294 ( 1.409 -3.628 0.408) 3.913 11.814 ( -6.226 11.313 6.424) 14.423 11.814 ( 6.226 11.313 6.424) 14.423 12.204 ( -4.152 9.519 -2.950) 10.796 12.204 ( 4.152 9.519 -2.950) 10.796 13.710 ( -7.237 -2.920 2.809) 8.294 13.710 ( 7.237 -2.920 2.809) 8.294 14.095 ( -5.272 -8.336 -5.315) 11.204 14.095 ( 5.272 -8.336 -5.315) 11.204 ======================= Grid point 279 (96/120) ======================= q-point: ( 0.00 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 0.000 2.806 8.703) 9.144 2.350 ( 0.000 -7.723 5.311) 9.373 2.940 ( 0.000 14.083 12.970) 19.145 3.201 ( 0.000 -10.865 8.264) 13.651 3.587 ( 0.000 9.847 3.028) 10.302 3.813 ( 0.000 -10.958 0.890) 10.994 4.103 ( 0.000 8.112 9.914) 12.810 4.182 ( 0.000 3.157 14.198) 14.544 4.282 ( 0.000 4.638 2.124) 5.102 4.328 ( 0.000 5.970 11.777) 13.203 4.685 ( 0.000 -1.396 4.981) 5.173 4.831 ( 0.000 -13.169 2.115) 13.338 5.001 ( 0.000 4.169 2.868) 5.061 5.107 ( 0.000 -3.565 3.248) 4.823 5.397 ( 0.000 -0.493 -6.988) 7.005 5.439 ( 0.000 -3.464 -5.823) 6.775 5.829 ( 0.000 2.358 -9.884) 10.161 5.912 ( 0.000 -6.178 -9.017) 10.930 6.074 ( 0.000 2.099 -7.361) 7.654 6.101 ( 0.000 -0.857 -4.785) 4.861 6.888 ( 0.000 1.745 1.866) 2.555 6.899 ( 0.000 -0.513 2.353) 2.408 7.016 ( 0.000 -0.761 -0.757) 1.074 7.032 ( 0.000 -3.551 -0.741) 3.627 7.655 ( 0.000 4.053 4.124) 5.782 7.710 ( 0.000 -1.774 1.500) 2.323 7.716 ( 0.000 4.333 0.139) 4.335 7.833 ( 0.000 -5.934 -1.299) 6.074 8.682 ( 0.000 4.929 -6.518) 8.172 8.776 ( 0.000 -4.386 -9.088) 10.091 8.913 ( 0.000 9.253 -4.075) 10.111 9.080 ( 0.000 -5.726 -6.622) 8.754 9.480 ( 0.000 -2.939 -2.352) 3.764 9.483 ( 0.000 -2.049 -0.945) 2.256 9.871 ( 0.000 3.236 -1.678) 3.645 9.915 ( 0.000 -0.702 0.060) 0.705 10.316 ( 0.000 6.693 -1.742) 6.916 10.412 ( 0.000 -1.293 -3.424) 3.660 10.630 ( 0.000 -0.410 3.333) 3.358 10.646 ( 0.000 -3.225 3.837) 5.012 11.519 ( 0.000 16.108 5.954) 17.173 11.830 ( 0.000 -9.756 1.552) 9.878 12.064 ( 0.000 3.716 -3.051) 4.808 12.126 ( 0.000 1.517 0.900) 1.764 13.524 ( 0.000 4.048 1.146) 4.207 13.639 ( 0.000 -7.782 -4.024) 8.761 14.229 ( 0.000 2.565 -2.281) 3.433 14.311 ( 0.000 -4.755 -3.552) 5.935 ======================= Grid point 280 (97/120) ======================= q-point: ( 0.12 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 3.433 4.042 8.435) 9.964 2.391 ( 4.246 -7.386 4.693) 9.727 2.962 ( 2.107 12.272 12.521) 17.658 3.186 ( -1.640 -9.298 8.400) 12.638 3.599 ( 0.973 9.538 4.310) 10.511 3.791 ( -3.054 -5.702 3.834) 7.519 4.048 ( -2.114 11.462 5.973) 13.096 4.185 ( -3.353 -2.419 2.947) 5.077 4.197 ( -3.907 1.460 9.274) 10.169 4.355 ( -1.414 -3.541 8.269) 9.105 4.677 ( -0.042 4.039 4.078) 5.740 4.848 ( -0.853 -7.973 5.161) 9.536 4.962 ( -1.964 4.607 1.504) 5.229 5.107 ( 1.234 -7.244 1.821) 7.571 5.408 ( 1.552 0.534 -5.326) 5.573 5.473 ( 3.108 -4.843 -5.127) 7.707 5.857 ( 2.276 2.771 -7.227) 8.068 5.926 ( 1.146 -4.408 -6.784) 8.171 6.099 ( 2.499 2.645 -4.546) 5.823 6.137 ( 2.930 -1.143 -5.521) 6.354 6.722 ( -12.306 2.743 2.657) 12.885 6.780 ( -10.272 -2.874 2.966) 11.071 7.014 ( -0.935 0.975 -1.836) 2.280 7.058 ( 1.216 -3.409 -2.015) 4.142 7.683 ( 1.248 5.759 0.960) 5.971 7.768 ( 0.846 -1.535 -0.868) 1.955 7.822 ( 11.643 0.987 2.785) 12.012 7.893 ( 8.969 -4.927 0.543) 10.247 8.714 ( 3.162 4.965 -5.733) 8.217 8.810 ( 3.042 -4.939 -7.401) 9.403 8.908 ( -0.508 8.914 -4.987) 10.227 9.061 ( -1.874 -5.287 -6.587) 8.651 9.487 ( 0.560 -1.895 -1.324) 2.379 9.491 ( 1.089 -3.079 -2.803) 4.304 9.876 ( 0.630 3.139 -1.413) 3.500 9.915 ( 0.159 -0.302 0.186) 0.389 10.248 ( -6.740 6.328 -2.310) 9.530 10.350 ( -6.324 -2.737 -4.023) 7.979 10.579 ( -5.053 -0.173 3.351) 6.065 10.593 ( -5.311 -2.054 2.887) 6.384 11.588 ( 6.734 15.403 6.169) 17.907 11.885 ( 5.436 -9.143 1.581) 10.754 12.104 ( 3.723 3.449 -1.911) 5.423 12.151 ( 2.453 2.410 1.368) 3.701 13.531 ( 0.784 4.131 0.757) 4.273 13.652 ( 1.424 -8.075 -4.402) 9.306 14.184 ( -4.706 2.790 -2.048) 5.841 14.274 ( -3.854 -5.269 -3.622) 7.466 ======================= Grid point 281 (98/120) ======================= q-point: ( 0.25 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 7.304 6.305 7.518) 12.232 2.505 ( 7.671 -6.376 3.370) 10.529 3.003 ( 1.512 7.558 10.983) 13.418 3.139 ( -3.427 -5.990 8.424) 10.890 3.593 ( -2.994 11.662 6.002) 13.454 3.716 ( -2.890 6.400 5.954) 9.207 4.037 ( -4.206 4.350 5.338) 8.069 4.095 ( -1.266 2.220 -3.177) 4.077 4.109 ( -5.581 -8.710 3.884) 11.050 4.303 ( -1.911 -10.999 2.312) 11.401 4.662 ( -1.875 3.218 3.497) 5.109 4.743 ( -8.056 -5.573 5.444) 11.207 5.023 ( 7.069 4.626 1.110) 8.521 5.158 ( 3.402 -8.357 -0.240) 9.026 5.451 ( 2.280 2.824 -3.456) 5.012 5.546 ( 3.817 -5.201 -2.442) 6.898 5.875 ( -0.718 3.802 -0.723) 3.936 5.944 ( 0.552 -3.063 0.652) 3.180 6.143 ( 1.352 2.581 -1.064) 3.102 6.175 ( 0.377 -0.528 -3.245) 3.309 6.538 ( -5.204 4.351 1.093) 6.871 6.622 ( -4.434 -3.229 0.739) 5.535 6.960 ( -4.736 2.409 -2.364) 5.816 7.051 ( -2.731 -5.715 -3.341) 7.161 7.736 ( 4.859 5.029 -0.390) 7.004 7.791 ( 3.260 0.071 -1.846) 3.747 8.042 ( 9.737 -0.072 2.205) 9.984 8.088 ( 9.283 -4.186 0.961) 10.228 8.785 ( 3.727 4.491 -3.711) 6.916 8.858 ( 1.183 -2.133 -2.214) 3.294 8.903 ( 0.390 5.032 -7.442) 8.992 9.024 ( -1.381 -5.172 -6.733) 8.602 9.508 ( 1.942 -1.070 -2.672) 3.472 9.527 ( 2.891 -3.173 -3.958) 5.839 9.900 ( 2.012 3.400 -0.770) 4.025 9.931 ( 1.737 0.673 -0.096) 1.866 10.086 ( -9.625 5.014 -3.660) 11.453 10.189 ( -10.060 -4.663 -4.870) 12.110 10.453 ( -7.991 -0.212 2.637) 8.418 10.462 ( -7.929 -1.232 1.712) 8.204 11.748 ( 9.491 14.544 6.497) 18.543 12.015 ( 7.599 -7.025 1.539) 10.463 12.166 ( 1.904 4.606 2.584) 5.614 12.215 ( 4.091 1.831 0.525) 4.512 13.558 ( 2.188 4.502 -0.174) 5.008 13.695 ( 3.182 -8.646 -5.245) 10.601 14.061 ( -7.849 3.247 -1.540) 8.633 14.173 ( -6.532 -6.634 -3.914) 10.099 ======================= Grid point 282 (99/120) ======================= q-point: ( 0.38 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 11.296 7.171 6.291) 14.786 2.677 ( 10.203 -4.728 2.661) 11.556 2.973 ( -5.807 3.275 8.312) 10.656 3.048 ( -6.552 -3.937 7.081) 10.420 3.518 ( -2.184 20.054 4.568) 20.683 3.667 ( -4.528 11.070 4.771) 12.876 3.920 ( -4.391 -6.185 3.820) 8.493 3.971 ( -5.236 -13.959 3.837) 15.394 4.182 ( 5.570 4.974 -1.416) 7.601 4.301 ( 0.823 -1.491 -1.934) 2.576 4.601 ( -5.903 -10.580 2.976) 12.476 4.612 ( -3.219 -7.211 1.890) 8.120 5.177 ( 8.486 2.819 0.432) 8.952 5.235 ( 5.389 -3.744 -1.241) 6.678 5.444 ( -3.933 4.404 -2.223) 6.309 5.546 ( -5.327 -4.758 -3.257) 7.850 5.894 ( 4.460 4.909 7.933) 10.340 5.968 ( 3.093 -2.131 6.512) 7.518 6.128 ( -3.043 1.483 4.085) 5.305 6.150 ( -2.732 -0.364 1.680) 3.228 6.536 ( 3.919 6.347 -2.415) 7.841 6.626 ( 3.390 0.011 -3.450) 4.837 6.848 ( -6.135 -0.130 -2.819) 6.753 6.952 ( -7.109 -7.726 -4.543) 11.440 7.865 ( 8.088 5.637 -0.947) 9.904 7.901 ( 7.479 2.824 -2.045) 8.252 8.147 ( 1.083 -1.273 1.108) 2.006 8.191 ( 0.792 -4.913 0.027) 4.977 8.837 ( 1.968 3.660 -2.113) 4.662 8.868 ( 0.431 4.014 -2.052) 4.529 8.924 ( 1.936 -1.689 -4.592) 5.262 9.011 ( -0.881 -5.891 -5.118) 7.853 9.571 ( 4.817 0.803 -4.797) 6.846 9.609 ( 5.934 -2.505 -5.201) 8.279 9.881 ( -8.722 2.827 -6.209) 11.073 9.960 ( -2.413 0.115 -1.213) 2.703 9.972 ( -0.321 2.151 -2.172) 3.074 10.022 ( -0.366 -1.244 -1.572) 2.038 10.291 ( -8.506 -1.218 1.939) 8.809 10.310 ( -7.901 -2.560 0.776) 8.341 11.927 ( 8.930 13.819 6.535) 17.704 12.132 ( 1.742 5.395 2.438) 6.172 12.187 ( 2.707 -2.287 4.464) 5.699 12.275 ( 1.534 -1.106 1.221) 2.251 13.621 ( 4.605 5.128 -1.101) 6.980 13.771 ( 4.391 -7.504 -5.921) 10.519 13.904 ( -7.910 2.324 -1.059) 8.312 14.038 ( -7.442 -8.384 -4.463) 12.066 ======================= Grid point 283 (100/120) ======================= q-point: (-0.50 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( -11.118 5.796 5.750) 13.794 2.779 ( 11.118 5.796 5.750) 13.794 2.887 ( -9.093 -4.112 4.603) 10.990 2.887 ( 9.093 -4.112 4.603) 10.990 3.554 ( -5.369 17.606 3.465) 18.730 3.554 ( 5.369 17.606 3.465) 18.730 3.906 ( -1.847 -13.925 4.889) 14.873 3.906 ( 1.847 -13.925 4.889) 14.873 4.279 ( -3.867 8.500 -1.072) 9.399 4.279 ( 3.867 8.500 -1.072) 9.399 4.558 ( -1.453 -15.861 0.569) 15.938 4.558 ( 1.453 -15.861 0.569) 15.938 5.320 ( -6.109 3.480 -0.256) 7.035 5.320 ( 6.109 3.480 -0.256) 7.035 5.391 ( -8.426 -2.950 -2.254) 9.208 5.391 ( 8.426 -2.950 -2.254) 9.208 6.005 ( -4.444 4.625 8.117) 10.345 6.005 ( 4.444 4.625 8.117) 10.345 6.082 ( -2.862 -2.523 5.692) 6.852 6.082 ( 2.862 -2.523 5.692) 6.852 6.635 ( -4.667 8.580 -4.024) 10.564 6.635 ( 4.667 8.580 -4.024) 10.564 6.820 ( -5.124 -9.227 -4.304) 11.398 6.820 ( 5.124 -9.227 -4.304) 11.398 7.989 ( -2.038 8.254 -1.680) 8.666 7.989 ( 2.038 8.254 -1.680) 8.666 8.145 ( -2.475 -6.758 0.074) 7.197 8.145 ( 2.475 -6.758 0.074) 7.197 8.867 ( -0.963 4.842 -2.277) 5.437 8.867 ( 0.963 4.842 -2.277) 5.437 8.973 ( -2.885 -5.340 -3.173) 6.849 8.973 ( 2.885 -5.340 -3.173) 6.849 9.681 ( -4.810 4.229 -6.055) 8.814 9.681 ( 4.810 4.229 -6.055) 8.814 9.792 ( -6.306 -6.374 -5.832) 10.696 9.792 ( 6.306 -6.374 -5.832) 10.696 10.055 ( -2.486 7.303 0.352) 7.722 10.055 ( 2.486 7.303 0.352) 7.722 10.194 ( -1.795 -6.029 0.861) 6.349 10.194 ( 1.795 -6.029 0.861) 6.349 12.071 ( -6.019 12.567 5.850) 15.112 12.071 ( 6.019 12.567 5.850) 15.112 12.262 ( -2.865 -4.307 2.164) 5.607 12.262 ( 2.865 -4.307 2.164) 5.607 13.732 ( -6.860 5.498 -1.911) 8.997 13.732 ( 6.860 5.498 -1.911) 8.997 13.903 ( -6.370 -9.864 -4.717) 12.654 13.903 ( 6.370 -9.864 -4.717) 12.654 ======================= Grid point 315 (101/120) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 0.000 0.000 18.664) 18.664 2.687 ( 0.000 0.000 14.296) 14.296 2.874 ( 0.000 0.000 -3.944) 3.944 2.908 ( 0.000 0.000 -11.952) 11.952 3.578 ( 0.000 0.000 -1.668) 1.668 3.633 ( 0.000 0.000 -5.707) 5.707 3.995 ( 0.000 0.000 5.996) 5.996 4.142 ( 0.000 0.000 -5.439) 5.439 4.174 ( 0.000 0.000 15.719) 15.719 4.406 ( 0.000 0.000 -5.071) 5.071 5.017 ( 0.000 0.000 12.512) 12.512 5.039 ( 0.000 0.000 20.488) 20.488 5.290 ( 0.000 0.000 -12.673) 12.673 5.334 ( 0.000 0.000 10.292) 10.292 5.424 ( 0.000 0.000 0.504) 0.504 5.466 ( 0.000 0.000 -2.183) 2.183 5.508 ( 0.000 0.000 -22.464) 22.464 5.575 ( 0.000 0.000 -11.475) 11.475 6.253 ( 0.000 0.000 3.861) 3.861 6.352 ( 0.000 0.000 -6.476) 6.476 6.645 ( 0.000 0.000 -0.459) 0.459 6.655 ( 0.000 0.000 -1.594) 1.594 7.289 ( 0.000 0.000 9.496) 9.496 7.483 ( 0.000 0.000 -8.883) 8.883 7.622 ( 0.000 0.000 6.841) 6.841 7.680 ( 0.000 0.000 4.305) 4.305 7.928 ( 0.000 0.000 0.545) 0.545 8.070 ( 0.000 0.000 -10.391) 10.391 8.139 ( 0.000 0.000 2.228) 2.228 8.162 ( 0.000 0.000 0.007) 0.007 9.177 ( 0.000 0.000 -0.054) 0.054 9.219 ( 0.000 0.000 -3.802) 3.802 9.475 ( 0.000 0.000 -0.895) 0.895 9.477 ( 0.000 0.000 -1.046) 1.046 9.867 ( 0.000 0.000 2.658) 2.658 9.908 ( 0.000 0.000 -3.286) 3.286 10.107 ( 0.000 0.000 -0.859) 0.859 10.158 ( 0.000 0.000 -4.924) 4.924 10.452 ( 0.000 0.000 5.471) 5.471 10.554 ( 0.000 0.000 -4.234) 4.234 11.538 ( 0.000 0.000 9.864) 9.864 11.669 ( 0.000 0.000 4.289) 4.289 11.737 ( 0.000 0.000 -9.020) 9.020 11.740 ( 0.000 0.000 -2.489) 2.489 13.639 ( 0.000 0.000 9.047) 9.047 13.848 ( 0.000 0.000 -10.953) 10.953 14.394 ( 0.000 0.000 4.185) 4.185 14.460 ( 0.000 0.000 -2.059) 2.059 ======================= Grid point 316 (102/120) ======================= q-point: ( 0.12 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( 1.893 0.000 17.502) 17.604 2.628 ( -5.231 0.000 14.942) 15.831 2.838 ( -3.328 0.000 -5.408) 6.350 2.905 ( -0.482 0.000 -11.115) 11.125 3.582 ( 1.446 0.000 1.966) 2.441 3.694 ( 5.207 0.000 -8.092) 9.623 3.873 ( -11.784 0.000 6.435) 13.426 4.003 ( -13.200 0.000 -5.351) 14.243 4.300 ( 11.612 0.000 13.683) 17.946 4.484 ( 7.389 0.000 -3.975) 8.390 4.987 ( -2.231 0.000 17.163) 17.307 5.064 ( 1.707 0.000 13.900) 14.004 5.273 ( -1.722 0.000 -11.890) 12.014 5.362 ( 2.797 0.000 7.921) 8.400 5.451 ( 2.484 0.000 0.867) 2.631 5.492 ( -1.857 0.000 -21.976) 22.055 5.552 ( 8.086 0.000 -3.282) 8.727 5.610 ( 3.401 0.000 -7.109) 7.881 6.232 ( -1.864 0.000 3.276) 3.769 6.318 ( -3.195 0.000 -5.749) 6.577 6.589 ( -6.590 0.000 0.419) 6.603 6.603 ( -4.535 0.000 -1.100) 4.666 7.240 ( -4.513 0.000 8.833) 9.919 7.421 ( -5.626 0.000 -8.429) 10.135 7.460 ( -7.215 0.000 9.720) 12.105 7.662 ( -5.981 0.000 -9.306) 11.062 8.044 ( 11.362 0.000 7.953) 13.869 8.213 ( 9.628 0.000 -8.321) 12.725 8.245 ( 8.106 0.000 1.086) 8.178 8.251 ( 10.404 0.000 0.627) 10.422 9.195 ( 1.898 0.000 -0.139) 1.903 9.229 ( 1.116 0.000 -3.214) 3.402 9.458 ( -1.007 0.000 0.570) 1.157 9.489 ( 0.439 0.000 -2.221) 2.264 9.824 ( -3.737 0.000 2.377) 4.429 9.894 ( -2.735 0.000 -5.509) 6.151 10.057 ( -2.592 0.000 3.430) 4.300 10.180 ( 0.627 0.000 -7.258) 7.285 10.439 ( -1.374 0.000 5.387) 5.560 10.536 ( -1.906 0.000 -3.836) 4.284 11.555 ( 1.773 0.000 9.059) 9.231 11.666 ( -0.316 0.000 3.978) 3.991 11.733 ( -0.745 0.000 -2.405) 2.517 11.740 ( 0.324 0.000 -8.511) 8.517 13.668 ( 2.897 0.000 8.569) 9.045 13.867 ( 1.934 0.000 -10.520) 10.696 14.362 ( -3.245 0.000 4.491) 5.541 14.434 ( -2.628 0.000 -2.379) 3.545 ======================= Grid point 317 (103/120) ======================= q-point: ( 0.25 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( -2.645 0.000 14.789) 15.024 2.649 ( 3.212 0.000 14.186) 14.545 2.778 ( -2.106 0.000 -7.971) 8.244 2.886 ( -1.576 0.000 -8.079) 8.231 3.571 ( -18.915 0.000 6.620) 20.040 3.643 ( 4.849 0.000 5.826) 7.580 3.702 ( -17.765 0.000 -5.374) 18.560 3.801 ( 5.440 0.000 -8.581) 10.160 4.556 ( 14.616 0.000 9.946) 17.679 4.675 ( 12.410 0.000 -2.007) 12.572 4.944 ( -1.946 0.000 16.165) 16.282 5.098 ( 1.768 0.000 7.420) 7.628 5.227 ( -3.018 0.000 -9.357) 9.832 5.399 ( -0.312 0.000 6.672) 6.679 5.433 ( -4.343 0.000 -19.298) 19.781 5.491 ( -0.120 0.000 -1.415) 1.420 5.674 ( 6.457 0.000 2.759) 7.022 5.767 ( 11.930 0.000 -5.188) 13.010 6.199 ( -1.271 0.000 1.780) 2.187 6.251 ( -3.355 0.000 -3.569) 4.898 6.422 ( -10.014 0.000 3.943) 10.763 6.490 ( -6.968 0.000 -2.431) 7.379 7.148 ( -4.604 0.000 6.492) 7.959 7.299 ( -6.854 0.000 -7.850) 10.421 7.403 ( 0.834 0.000 6.612) 6.665 7.573 ( -2.552 0.000 -9.468) 9.806 8.231 ( 7.219 0.000 6.250) 9.549 8.353 ( 4.444 0.000 -5.640) 7.180 8.434 ( 10.854 0.000 2.419) 11.121 8.475 ( 12.010 0.000 -1.326) 12.083 9.247 ( 3.298 0.000 -0.226) 3.306 9.262 ( 2.288 0.000 -1.646) 2.819 9.440 ( -0.823 0.000 1.901) 2.072 9.491 ( -0.264 0.000 -2.793) 2.806 9.744 ( -4.275 0.000 1.806) 4.641 9.801 ( -6.060 0.000 -3.818) 7.162 10.041 ( 0.467 0.000 1.967) 2.022 10.171 ( -1.376 0.000 -8.597) 8.706 10.405 ( -2.036 0.000 4.955) 5.357 10.485 ( -3.342 0.000 -2.603) 4.236 11.601 ( 2.899 0.000 6.795) 7.388 11.660 ( -0.231 0.000 3.045) 3.053 11.714 ( -1.205 0.000 -2.049) 2.377 11.745 ( 0.073 0.000 -6.910) 6.910 13.742 ( 4.749 0.000 7.457) 8.841 13.917 ( 3.047 0.000 -9.233) 9.722 14.280 ( -5.076 0.000 5.003) 7.127 14.365 ( -4.482 0.000 -3.140) 5.473 ======================= Grid point 318 (104/120) ======================= q-point: ( 0.38 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 5.191 0.000 12.026) 13.098 2.716 ( 3.716 0.000 9.190) 9.913 2.777 ( 1.397 0.000 -8.541) 8.654 2.845 ( -2.726 0.000 -2.916) 3.992 3.216 ( -16.436 0.000 7.371) 18.013 3.362 ( -17.146 0.000 -6.284) 18.261 3.751 ( 6.093 0.000 6.633) 9.006 3.873 ( 1.588 0.000 -4.038) 4.339 4.833 ( 14.327 0.000 8.064) 16.440 4.931 ( 13.842 0.000 -1.485) 13.922 4.933 ( 1.332 0.000 8.771) 8.872 5.097 ( -3.498 0.000 -4.235) 5.493 5.192 ( 1.029 0.000 -1.246) 1.616 5.321 ( -7.718 0.000 6.818) 10.298 5.337 ( -5.264 0.000 -12.667) 13.717 5.414 ( -7.627 0.000 -2.054) 7.898 5.844 ( 10.559 0.000 8.351) 13.462 5.996 ( 11.644 0.000 -5.772) 12.996 6.187 ( -0.117 0.000 0.514) 0.527 6.205 ( -1.457 0.000 -1.311) 1.960 6.234 ( -9.727 0.000 6.609) 11.760 6.353 ( -7.517 0.000 -4.134) 8.578 7.085 ( -1.649 0.000 2.258) 2.796 7.176 ( -5.786 0.000 -6.194) 8.475 7.461 ( 4.396 0.000 2.254) 4.941 7.555 ( -0.188 0.000 -6.558) 6.561 8.314 ( 2.238 0.000 3.702) 4.326 8.380 ( -0.943 0.000 -2.762) 2.919 8.623 ( 8.343 0.000 2.218) 8.633 8.665 ( 7.150 0.000 -1.655) 7.339 9.304 ( 2.312 0.000 0.169) 2.318 9.309 ( 2.252 0.000 0.009) 2.252 9.432 ( 0.161 0.000 2.024) 2.031 9.477 ( -1.227 0.000 -2.147) 2.473 9.677 ( -2.457 0.000 1.010) 2.656 9.701 ( -3.913 0.000 -1.362) 4.143 10.061 ( 1.446 0.000 -2.503) 2.891 10.136 ( -2.215 0.000 -8.135) 8.431 10.372 ( -1.133 0.000 3.798) 3.963 10.419 ( -3.330 0.000 -0.595) 3.383 11.658 ( 3.016 0.000 3.421) 4.560 11.659 ( 0.259 0.000 1.618) 1.639 11.690 ( -1.227 0.000 -1.240) 1.745 11.738 ( -0.912 0.000 -4.154) 4.253 13.840 ( 5.450 0.000 5.941) 8.062 13.967 ( 1.412 0.000 -5.627) 5.801 14.192 ( -3.313 0.000 3.545) 4.852 14.273 ( -4.974 0.000 -3.765) 6.239 ======================= Grid point 319 (105/120) ======================= q-point: (-0.50 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( -9.169 0.000 4.335) 10.142 2.718 ( 9.169 0.000 4.335) 10.142 2.785 ( -3.495 0.000 3.208) 4.744 2.785 ( 3.495 0.000 3.208) 4.744 3.107 ( -7.206 0.000 -2.840) 7.745 3.107 ( 7.206 0.000 -2.840) 7.745 3.851 ( -3.751 0.000 3.023) 4.818 3.851 ( 3.751 0.000 3.023) 4.818 5.000 ( -5.237 0.000 -1.469) 5.439 5.000 ( 5.237 0.000 -1.469) 5.439 5.075 ( -8.284 0.000 6.165) 10.327 5.075 ( 8.284 0.000 6.165) 10.327 5.234 ( -8.275 0.000 -0.554) 8.293 5.234 ( 8.275 0.000 -0.554) 8.293 5.247 ( -4.072 0.000 -4.706) 6.223 5.247 ( 4.072 0.000 -4.706) 6.223 6.044 ( -10.150 0.000 8.883) 13.488 6.044 ( 10.150 0.000 8.883) 13.488 6.190 ( -0.376 0.000 -0.135) 0.400 6.190 ( 0.376 0.000 -0.135) 0.400 6.197 ( -9.143 0.000 -5.536) 10.688 6.197 ( 9.143 0.000 -5.536) 10.688 7.093 ( -2.573 0.000 -2.616) 3.669 7.093 ( 2.573 0.000 -2.616) 3.669 7.534 ( -2.574 0.000 -2.370) 3.499 7.534 ( 2.574 0.000 -2.370) 3.499 8.347 ( -1.852 0.000 0.551) 1.932 8.347 ( 1.852 0.000 0.551) 1.932 8.722 ( -1.407 0.000 0.225) 1.425 8.722 ( 1.407 0.000 0.225) 1.425 9.329 ( -0.219 0.000 0.647) 0.683 9.329 ( 0.219 0.000 0.647) 0.683 9.449 ( -1.470 0.000 0.041) 1.470 9.449 ( 1.470 0.000 0.041) 1.470 9.659 ( -0.606 0.000 -0.062) 0.609 9.659 ( 0.606 0.000 -0.062) 0.609 10.094 ( -2.036 0.000 -6.072) 6.405 10.094 ( 2.036 0.000 -6.072) 6.405 10.372 ( -1.321 0.000 1.782) 2.218 10.372 ( 1.321 0.000 1.782) 2.218 11.670 ( -0.848 0.000 0.057) 0.850 11.670 ( 0.848 0.000 0.057) 0.850 11.709 ( -2.184 0.000 -0.491) 2.238 11.709 ( 2.184 0.000 -0.491) 2.238 13.937 ( -4.216 0.000 2.481) 4.892 13.937 ( 4.216 0.000 2.481) 4.892 14.191 ( -3.044 0.000 -2.424) 3.891 14.191 ( 3.044 0.000 -2.424) 3.891 ======================= Grid point 324 (106/120) ======================= q-point: ( 0.00 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 0.000 -7.686 9.141) 11.943 2.587 ( 0.000 -0.936 9.304) 9.351 2.866 ( 0.000 1.454 3.801) 4.070 3.002 ( 0.000 7.502 -7.974) 10.948 3.633 ( 0.000 3.706 1.392) 3.959 3.707 ( 0.000 5.808 -5.014) 7.673 4.047 ( 0.000 5.303 7.763) 9.401 4.175 ( 0.000 0.546 14.163) 14.173 4.231 ( 0.000 8.451 -6.822) 10.861 4.386 ( 0.000 -1.419 -3.618) 3.887 4.879 ( 0.000 -10.865 14.149) 17.839 5.054 ( 0.000 1.218 15.806) 15.853 5.179 ( 0.000 -9.132 -13.608) 16.388 5.325 ( 0.000 -3.695 4.226) 5.613 5.429 ( 0.000 -0.264 -4.834) 4.841 5.450 ( 0.000 1.808 1.433) 2.307 5.586 ( 0.000 0.240 -10.243) 10.246 5.588 ( 0.000 4.770 -14.310) 15.084 6.201 ( 0.000 -4.167 1.742) 4.516 6.239 ( 0.000 -7.947 -2.372) 8.293 6.726 ( 0.000 5.855 0.379) 5.867 6.759 ( 0.000 8.082 -2.776) 8.545 7.221 ( 0.000 -6.147 7.665) 9.825 7.349 ( 0.000 -9.830 -3.666) 10.491 7.679 ( 0.000 2.915 1.312) 3.197 7.697 ( 0.000 1.248 3.623) 3.832 7.794 ( 0.000 -7.153 4.310) 8.351 7.951 ( 0.000 -5.680 -7.371) 9.305 8.309 ( 0.000 10.704 0.232) 10.707 8.337 ( 0.000 10.545 -2.815) 10.914 9.065 ( 0.000 -7.988 0.533) 8.006 9.123 ( 0.000 -6.402 -4.722) 7.955 9.528 ( 0.000 2.103 0.103) 2.106 9.544 ( 0.000 3.354 -1.273) 3.587 9.837 ( 0.000 -4.957 -0.916) 5.041 9.860 ( 0.000 -0.151 -1.121) 1.131 10.116 ( 0.000 1.888 1.666) 2.518 10.197 ( 0.000 3.423 -5.204) 6.229 10.553 ( 0.000 8.001 4.996) 9.433 10.646 ( 0.000 6.921 -3.808) 7.899 11.407 ( 0.000 -5.329 7.348) 9.077 11.553 ( 0.000 -5.058 -6.418) 8.172 11.877 ( 0.000 12.748 6.313) 14.226 11.995 ( 0.000 11.651 -4.995) 12.677 13.596 ( 0.000 -3.638 8.082) 8.863 13.788 ( 0.000 -5.482 -10.285) 11.655 14.361 ( 0.000 -3.107 4.092) 5.138 14.430 ( 0.000 -2.896 -2.410) 3.767 ======================= Grid point 325 (107/120) ======================= q-point: ( 0.12 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( -3.039 -4.452 10.898) 12.158 2.624 ( 1.784 -3.751 4.658) 6.241 2.839 ( -2.103 5.121 6.362) 8.434 3.020 ( 1.190 7.738 -7.934) 11.147 3.634 ( 0.429 3.406 3.243) 4.723 3.736 ( 3.012 3.998 -5.947) 7.773 3.878 ( -13.219 0.762 7.969) 15.454 4.038 ( -14.335 3.582 -6.729) 16.236 4.348 ( 11.793 4.459 12.234) 17.568 4.510 ( 8.764 2.805 -2.919) 9.654 4.875 ( -0.430 -10.936 12.751) 16.804 5.033 ( -1.806 -0.786 13.964) 14.102 5.147 ( -2.399 -9.389 -10.214) 14.080 5.346 ( 0.932 -4.919 -1.546) 5.240 5.464 ( 3.225 1.155 -6.480) 7.330 5.490 ( 3.079 1.243 0.423) 3.348 5.617 ( 3.605 2.228 -7.350) 8.484 5.641 ( 5.406 4.021 -8.266) 10.664 6.189 ( -1.112 -3.369 1.358) 3.799 6.220 ( -1.779 -6.813 -1.944) 7.305 6.639 ( -8.495 4.008 1.888) 9.581 6.691 ( -6.749 6.093 -3.101) 9.607 7.196 ( -2.465 -4.370 6.985) 8.600 7.296 ( -3.793 -7.898 -1.075) 8.827 7.532 ( -6.222 3.409 2.589) 7.552 7.653 ( -5.215 -0.010 -7.290) 8.963 7.985 ( 13.081 -3.294 6.070) 14.792 8.087 ( 11.171 -5.674 -3.354) 12.971 8.373 ( 6.229 8.912 0.974) 10.916 8.414 ( 6.863 9.132 -3.244) 11.875 9.077 ( 1.292 -8.393 0.227) 8.495 9.125 ( 0.288 -6.940 -4.099) 8.065 9.527 ( -0.005 2.578 0.155) 2.583 9.544 ( 0.055 2.889 -1.202) 3.129 9.816 ( -2.104 -1.569 -0.105) 2.626 9.850 ( -1.224 -1.646 -3.070) 3.692 10.068 ( -4.122 1.748 3.865) 5.915 10.188 ( -1.380 1.433 -6.780) 7.066 10.527 ( -2.672 6.741 4.649) 8.614 10.608 ( -3.821 5.087 -2.959) 7.016 11.447 ( 3.942 -3.482 6.187) 8.120 11.573 ( 2.161 -3.266 -5.776) 6.979 11.874 ( -0.326 13.004 6.331) 14.467 11.994 ( -0.204 12.199 -5.118) 13.231 13.621 ( 2.587 -3.995 7.748) 9.093 13.806 ( 1.878 -5.571 -9.959) 11.565 14.328 ( -3.397 -3.249 4.395) 6.435 14.402 ( -2.810 -3.067 -2.706) 4.962 ======================= Grid point 326 (108/120) ======================= q-point: ( 0.25 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 0.016 -2.123 11.413) 11.608 2.658 ( 2.098 -4.242 -3.301) 5.770 2.816 ( 0.136 9.938 11.105) 14.904 3.025 ( -0.954 9.202 -6.939) 11.564 3.565 ( -17.574 -0.119 6.976) 18.908 3.643 ( -6.039 -0.684 3.315) 6.923 3.758 ( -8.040 5.714 -4.211) 10.725 3.821 ( 3.973 2.308 -6.449) 7.918 4.573 ( 10.883 1.020 9.958) 14.787 4.685 ( 9.119 -0.371 -1.306) 9.219 4.870 ( 0.821 -8.217 10.463) 13.329 5.008 ( -0.221 -4.494 6.560) 7.954 5.112 ( -1.037 -8.087 -5.038) 9.584 5.326 ( -3.103 -6.427 -8.688) 11.243 5.499 ( -0.706 3.012 -3.048) 4.343 5.538 ( 0.415 2.319 -1.446) 2.765 5.704 ( 6.536 2.905 2.988) 7.752 5.804 ( 10.746 3.417 -6.161) 12.850 6.166 ( -1.308 -2.254 0.839) 2.738 6.183 ( -1.818 -4.328 -0.993) 4.798 6.455 ( -9.461 2.571 4.120) 10.634 6.539 ( -8.259 3.212 -3.678) 9.594 7.127 ( -4.488 -2.786 5.525) 7.644 7.226 ( -4.308 -5.075 -3.140) 7.360 7.480 ( 0.611 5.657 1.713) 5.942 7.583 ( -1.206 1.715 -7.412) 7.703 8.200 ( 8.629 -2.283 5.065) 10.262 8.285 ( 8.081 -4.437 -2.996) 9.694 8.514 ( 7.847 6.075 1.560) 10.046 8.555 ( 7.705 5.949 -2.315) 10.005 9.111 ( 2.035 -9.220 0.067) 9.443 9.144 ( 1.957 -7.865 -2.934) 8.619 9.528 ( 0.133 3.278 0.278) 3.293 9.545 ( 0.010 2.166 -0.977) 2.376 9.767 ( -2.656 2.415 0.533) 3.629 9.807 ( -3.312 1.052 -3.871) 5.202 9.997 ( -2.619 -2.349 4.134) 5.428 10.140 ( -3.498 -1.882 -8.316) 9.216 10.460 ( -4.016 3.787 3.727) 6.660 10.515 ( -5.506 1.715 -1.404) 5.936 11.543 ( 5.733 -0.037 4.191) 7.102 11.633 ( 4.038 1.429 -4.432) 6.164 11.861 ( -1.118 13.190 6.164) 14.602 11.981 ( -1.367 13.158 -5.257) 14.235 13.689 ( 4.453 -4.693 6.943) 9.490 13.855 ( 3.071 -5.667 -8.921) 11.006 14.242 ( -5.350 -3.656 4.913) 8.132 14.329 ( -4.790 -3.529 -3.407) 6.856 ======================= Grid point 327 (109/120) ======================= q-point: ( 0.38 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 6.962 0.456 9.867) 12.084 2.720 ( 4.538 -2.031 -5.894) 7.711 2.839 ( 1.709 10.280 9.424) 14.050 2.977 ( -4.798 9.019 -3.387) 10.763 3.226 ( -15.157 1.046 6.988) 16.723 3.366 ( -16.194 0.686 -5.809) 17.218 3.794 ( 5.164 4.119 5.062) 8.322 3.891 ( 2.091 2.141 -3.243) 4.412 4.713 ( 3.871 -9.866 7.631) 13.060 4.795 ( 1.683 -12.626 -0.146) 12.739 4.966 ( 8.269 -2.882 4.331) 9.769 5.053 ( 5.609 1.903 -0.166) 5.925 5.120 ( 2.428 -6.347 -1.181) 6.898 5.249 ( -3.785 -4.817 -7.148) 9.414 5.419 ( -7.413 3.452 0.564) 8.197 5.471 ( -7.114 3.814 -2.175) 8.360 5.868 ( 9.722 2.564 7.683) 12.653 6.005 ( 9.414 1.394 -5.142) 10.817 6.131 ( -2.722 -2.241 3.009) 4.635 6.159 ( -0.863 -2.055 -0.305) 2.249 6.317 ( -4.515 4.709 3.216) 7.274 6.404 ( -5.960 3.398 -4.115) 8.001 7.053 ( -2.597 -3.476 1.907) 4.739 7.126 ( -5.521 -4.308 -4.722) 8.446 7.536 ( 4.268 6.512 0.699) 7.817 7.596 ( 1.535 4.259 -5.013) 6.754 8.301 ( 2.590 -1.351 3.475) 4.540 8.360 ( 0.173 -2.086 -2.215) 3.048 8.653 ( 6.472 2.752 1.744) 7.246 8.690 ( 5.511 2.288 -1.637) 6.187 9.153 ( 2.500 -9.088 0.907) 9.470 9.188 ( 1.885 -7.872 -2.074) 8.356 9.532 ( 0.239 3.239 0.140) 3.251 9.542 ( -0.313 1.845 -0.504) 1.938 9.728 ( -1.292 5.726 0.733) 5.915 9.745 ( -2.593 4.972 -1.039) 5.703 9.975 ( 0.054 -6.853 -1.082) 6.938 10.065 ( -4.138 -5.492 -7.981) 10.535 10.390 ( -2.893 0.756 2.488) 3.890 10.417 ( -4.371 -0.695 0.033) 4.426 11.649 ( 5.142 3.305 3.308) 6.950 11.717 ( 4.075 6.252 -2.966) 8.030 11.835 ( -1.151 12.670 4.622) 13.536 11.938 ( -3.221 13.394 -4.866) 14.610 13.784 ( 5.384 -5.121 5.680) 9.352 13.907 ( 1.607 -5.480 -5.662) 8.041 14.147 ( -3.632 -4.253 3.567) 6.634 14.230 ( -5.304 -4.138 -3.948) 7.800 ======================= Grid point 328 (110/120) ======================= q-point: (-0.50 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( -8.916 1.808 4.276) 10.053 2.737 ( 8.916 1.808 4.276) 10.053 2.857 ( -1.288 6.211 2.525) 6.828 2.857 ( 1.288 6.211 2.525) 6.828 3.134 ( -5.900 3.003 -2.036) 6.926 3.134 ( 5.900 3.003 -2.036) 6.926 3.880 ( -3.154 3.139 2.561) 5.135 3.880 ( 3.154 3.139 2.561) 5.135 4.772 ( -2.854 -15.102 1.390) 15.432 4.772 ( 2.854 -15.102 1.390) 15.432 5.087 ( -4.007 -6.668 -0.979) 7.840 5.087 ( 4.007 -6.668 -0.979) 7.840 5.238 ( -8.015 3.028 1.947) 8.786 5.238 ( 8.015 3.028 1.947) 8.786 5.307 ( -7.303 3.584 -2.957) 8.656 5.307 ( 7.303 3.584 -2.957) 8.656 6.035 ( -7.078 0.405 6.540) 9.645 6.035 ( 7.078 0.405 6.540) 9.645 6.130 ( -3.026 -1.151 -0.511) 3.278 6.130 ( 3.026 -1.151 -0.511) 3.278 6.309 ( -3.507 5.593 -2.654) 7.115 6.309 ( 3.507 5.593 -2.654) 7.115 7.048 ( -2.153 -4.368 -2.375) 5.418 7.048 ( 2.153 -4.368 -2.375) 5.418 7.601 ( -1.736 6.193 -2.080) 6.760 7.601 ( 1.736 6.193 -2.080) 6.760 8.335 ( -1.745 -1.390 0.657) 2.326 8.335 ( 1.745 -1.390 0.657) 2.326 8.733 ( -1.258 1.116 0.080) 1.684 8.733 ( 1.258 1.116 0.080) 1.684 9.194 ( -1.270 -7.982 -0.124) 8.084 9.194 ( 1.270 -7.982 -0.124) 8.084 9.536 ( -0.231 2.356 -0.181) 2.374 9.536 ( 0.231 2.356 -0.181) 2.374 9.719 ( -0.305 6.906 0.527) 6.932 9.719 ( 0.305 6.906 0.527) 6.932 9.998 ( -2.516 -7.927 -5.680) 10.071 9.998 ( 2.516 -7.927 -5.680) 10.071 10.367 ( -0.689 -1.034 1.273) 1.779 10.367 ( 0.689 -1.034 1.273) 1.779 11.728 ( -2.882 6.603 2.745) 7.710 11.728 ( 2.882 6.603 2.745) 7.710 11.864 ( -4.001 12.685 -2.785) 13.590 11.864 ( 4.001 12.685 -2.785) 13.590 13.881 ( -4.194 -5.179 2.277) 7.042 13.881 ( 4.194 -5.179 2.277) 7.042 14.144 ( -3.131 -4.588 -2.429) 6.062 14.144 ( 3.131 -4.588 -2.429) 6.062 ======================= Grid point 333 (111/120) ======================= q-point: ( 0.00 0.29 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 0.000 -5.307 6.689) 8.539 2.515 ( 0.000 -5.020 -0.903) 5.100 2.981 ( 0.000 8.781 12.212) 15.041 3.177 ( 0.000 8.698 -6.705) 10.982 3.661 ( 0.000 -1.310 6.265) 6.401 3.794 ( 0.000 1.252 -6.620) 6.738 4.219 ( 0.000 10.814 9.518) 14.406 4.224 ( 0.000 4.728 11.842) 12.751 4.373 ( 0.000 0.645 1.682) 1.801 4.458 ( 0.000 12.304 -9.343) 15.450 4.657 ( 0.000 -8.786 15.447) 17.771 4.959 ( 0.000 -11.251 -13.432) 17.522 5.087 ( 0.000 1.442 6.189) 6.355 5.198 ( 0.000 -8.124 2.513) 8.504 5.397 ( 0.000 -3.609 -4.021) 5.403 5.435 ( 0.000 -5.124 -1.260) 5.277 5.607 ( 0.000 3.243 -4.970) 5.935 5.679 ( 0.000 3.899 -11.229) 11.886 6.093 ( 0.000 -5.676 1.052) 5.773 6.112 ( 0.000 -4.211 -0.690) 4.267 6.852 ( 0.000 5.792 2.298) 6.231 6.905 ( 0.000 5.343 -2.367) 5.844 7.077 ( 0.000 -6.679 3.953) 7.761 7.146 ( 0.000 -9.113 -2.154) 9.364 7.703 ( 0.000 -0.700 1.905) 2.029 7.718 ( 0.000 1.104 -0.413) 1.179 7.726 ( 0.000 0.511 6.630) 6.649 7.862 ( 0.000 -3.423 -5.461) 6.445 8.493 ( 0.000 6.740 -0.720) 6.778 8.531 ( 0.000 7.639 -4.511) 8.871 8.925 ( 0.000 -4.834 2.734) 5.554 9.022 ( 0.000 -3.333 -6.025) 6.885 9.519 ( 0.000 -2.155 0.132) 2.159 9.533 ( 0.000 -3.921 -1.371) 4.153 9.800 ( 0.000 1.618 1.818) 2.434 9.873 ( 0.000 0.966 -4.044) 4.158 10.194 ( 0.000 5.431 3.092) 6.249 10.280 ( 0.000 4.323 -4.638) 6.340 10.687 ( 0.000 3.236 3.567) 4.816 10.738 ( 0.000 0.634 -1.174) 1.335 11.411 ( 0.000 6.781 7.484) 10.099 11.577 ( 0.000 7.722 -8.364) 11.384 12.094 ( 0.000 6.860 3.815) 7.850 12.144 ( 0.000 1.423 -1.086) 1.790 13.534 ( 0.000 -1.368 4.612) 4.810 13.658 ( 0.000 -6.107 -7.351) 9.557 14.279 ( 0.000 -4.425 3.270) 5.502 14.347 ( 0.000 -4.984 -3.054) 5.845 ======================= Grid point 334 (112/120) ======================= q-point: ( 0.12 0.29 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 0.429 -3.371 7.226) 7.985 2.531 ( 1.727 -4.407 -1.736) 5.042 3.003 ( 2.046 9.386 11.803) 15.218 3.188 ( 0.931 7.889 -5.957) 9.929 3.665 ( 0.352 -0.487 6.700) 6.727 3.797 ( -0.957 0.598 -5.629) 5.740 3.962 ( -12.823 8.597 9.678) 18.221 4.145 ( -13.923 6.138 -6.788) 16.662 4.462 ( 9.145 5.167 10.391) 14.775 4.564 ( 1.239 -2.971 1.897) 3.736 4.668 ( 3.600 -2.185 10.058) 10.904 4.907 ( -2.989 -10.044 -10.976) 15.175 5.052 ( -3.331 -0.609 6.105) 6.981 5.205 ( -0.219 -7.920 -2.803) 8.404 5.440 ( 3.012 -4.509 -3.131) 6.261 5.462 ( 3.843 -4.098 -1.343) 5.776 5.671 ( 5.699 4.085 -2.593) 7.476 5.735 ( 5.795 4.165 -8.617) 11.188 6.106 ( 1.234 -3.799 0.981) 4.113 6.123 ( 1.011 -2.814 -0.703) 3.072 6.724 ( -11.353 3.902 3.479) 12.498 6.795 ( -10.095 3.650 -2.931) 11.128 7.077 ( -0.854 -6.340 3.666) 7.373 7.135 ( -0.402 -7.346 -1.589) 7.527 7.609 ( -2.753 4.560 2.782) 6.009 7.684 ( -2.573 2.848 -4.151) 5.654 7.929 ( 12.619 -2.519 3.971) 13.467 7.988 ( 11.017 -4.383 -1.573) 11.961 8.538 ( 4.484 6.402 -0.129) 7.817 8.583 ( 4.810 6.866 -4.493) 9.512 8.926 ( 0.266 -5.522 2.124) 5.923 9.011 ( -0.970 -3.899 -5.500) 6.811 9.519 ( -0.010 -2.240 -0.067) 2.241 9.532 ( -0.024 -3.769 -1.574) 4.085 9.804 ( 0.495 2.010 1.603) 2.618 9.870 ( -0.248 1.682 -3.594) 3.976 10.135 ( -5.843 4.580 3.544) 8.227 10.235 ( -4.636 2.706 -5.581) 7.743 10.634 ( -5.250 2.396 2.954) 6.483 10.669 ( -6.531 0.187 -0.327) 6.542 11.482 ( 6.767 7.517 6.820) 12.199 11.635 ( 5.675 8.839 -7.748) 13.052 12.105 ( 1.013 7.982 4.204) 9.078 12.165 ( 1.867 2.867 -1.496) 3.734 13.547 ( 1.428 -2.107 4.615) 5.271 13.672 ( 1.484 -6.464 -7.393) 9.932 14.242 ( -3.840 -4.680 3.557) 7.022 14.314 ( -3.333 -5.301 -3.282) 7.070 ======================= Grid point 335 (113/120) ======================= q-point: ( 0.25 0.29 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 3.495 0.225 7.788) 8.539 2.586 ( 4.363 -2.441 -3.302) 5.991 3.045 ( 1.993 10.432 10.424) 14.881 3.196 ( -0.637 6.257 -3.811) 7.354 3.596 ( -16.536 3.486 6.447) 18.087 3.642 ( -5.946 2.678 3.302) 7.310 3.903 ( 3.203 6.267 -2.814) 7.580 3.911 ( -6.984 7.817 -5.124) 11.668 4.509 ( -3.304 -13.937 5.133) 15.216 4.544 ( -2.319 -7.834 3.442) 8.866 4.766 ( 5.572 -1.344 7.546) 9.476 4.930 ( 3.227 -3.793 -8.151) 9.552 4.993 ( 0.006 -2.482 7.314) 7.724 5.182 ( -1.663 -6.621 -8.514) 10.913 5.480 ( 0.873 -3.490 2.102) 4.167 5.548 ( 2.851 -1.910 -3.697) 5.044 5.792 ( 7.144 5.308 2.972) 9.383 5.885 ( 9.312 3.880 -5.703) 11.588 6.128 ( 0.557 -0.700 1.281) 1.562 6.143 ( 1.097 -0.175 -0.373) 1.172 6.514 ( -9.058 3.227 3.901) 10.376 6.597 ( -9.212 2.530 -3.571) 10.198 7.027 ( -4.157 -6.029 3.917) 8.305 7.109 ( -3.342 -6.470 -3.413) 8.042 7.611 ( 2.860 7.000 1.019) 7.630 7.661 ( 1.232 5.410 -3.761) 6.703 8.148 ( 9.259 -2.852 3.389) 10.264 8.193 ( 9.122 -4.557 -0.886) 10.235 8.641 ( 5.585 5.609 0.401) 7.926 8.678 ( 4.522 5.669 -3.023) 7.857 8.942 ( 1.523 -6.802 0.819) 7.019 9.001 ( 0.645 -5.578 -4.534) 7.217 9.519 ( 0.092 -2.354 -0.456) 2.399 9.535 ( 0.424 -3.116 -2.155) 3.812 9.819 ( 1.018 2.949 1.147) 3.324 9.869 ( 0.240 3.657 -2.729) 4.570 9.997 ( -7.885 2.103 3.878) 9.035 10.114 ( -7.764 -0.861 -6.994) 10.485 10.510 ( -7.263 0.654 2.001) 7.562 10.524 ( -8.140 -0.829 0.611) 8.205 11.636 ( 8.901 9.217 6.200) 14.235 11.770 ( 7.984 10.649 -6.609) 14.860 12.120 ( 0.223 10.419 4.897) 11.515 12.198 ( 1.179 6.308 -2.528) 6.898 13.589 ( 3.126 -3.803 4.634) 6.760 13.714 ( 2.895 -7.086 -7.294) 10.573 14.143 ( -6.221 -5.469 4.123) 9.253 14.227 ( -5.685 -6.167 -3.833) 9.222 ======================= Grid point 336 (114/120) ======================= q-point: ( 0.38 0.29 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( 9.097 2.857 7.212) 11.956 2.704 ( 8.034 0.170 -3.635) 8.819 3.053 ( -2.777 7.217 7.050) 10.464 3.137 ( -7.383 4.313 -0.724) 8.581 3.299 ( -10.566 9.072 6.697) 15.453 3.434 ( -12.191 7.969 -5.137) 15.444 3.916 ( 4.423 7.377 3.099) 9.143 3.979 ( 3.368 6.562 -1.612) 7.550 4.449 ( -2.579 -17.182 2.051) 17.495 4.470 ( -4.040 -16.131 0.741) 16.645 4.834 ( 1.253 -9.466 3.732) 10.252 4.909 ( -2.346 -12.874 -2.195) 13.269 5.128 ( 9.579 3.314 1.257) 10.213 5.197 ( 4.823 -0.411 -5.645) 7.436 5.440 ( -5.250 -0.068 3.985) 6.591 5.520 ( -5.853 0.275 -3.483) 6.816 5.946 ( 8.540 4.586 6.619) 11.738 6.049 ( 6.989 2.099 -2.326) 7.659 6.127 ( -0.487 1.859 2.317) 3.010 6.157 ( 0.098 1.413 0.341) 1.457 6.409 ( -2.083 4.689 1.800) 5.437 6.475 ( -3.922 3.913 -3.929) 6.792 6.944 ( -3.722 -6.740 1.765) 7.899 7.011 ( -6.092 -6.892 -4.297) 10.152 7.698 ( 5.337 8.718 0.108) 10.222 7.725 ( 4.273 7.759 -2.555) 9.219 8.255 ( 2.339 -3.228 2.698) 4.813 8.294 ( 1.298 -4.344 -0.977) 4.638 8.726 ( 3.414 4.170 0.530) 5.415 8.749 ( 2.741 3.215 -1.535) 4.495 8.989 ( 3.470 -6.742 0.911) 7.637 9.039 ( 2.283 -6.461 -3.541) 7.713 9.526 ( 0.803 -1.637 -0.645) 1.934 9.549 ( 0.913 -1.149 -2.779) 3.143 9.824 ( -2.013 -2.666 0.036) 3.341 9.869 ( -0.301 4.481 -1.522) 4.742 9.894 ( -1.151 4.867 1.524) 5.229 9.963 ( -7.069 -2.374 -6.075) 9.618 10.380 ( -5.808 -1.872 1.340) 6.248 10.383 ( -6.026 -2.259 0.945) 6.504 11.801 ( 8.070 10.923 5.730) 14.740 11.908 ( 5.409 11.456 -3.956) 13.272 12.113 ( -0.405 12.498 3.803) 13.070 12.195 ( -1.636 9.890 -3.479) 10.611 13.666 ( 4.806 -5.228 4.268) 8.285 13.771 ( 2.356 -6.834 -5.569) 9.125 14.028 ( -4.923 -6.949 3.396) 9.168 14.110 ( -6.274 -7.337 -4.220) 10.536 ======================= Grid point 337 (115/120) ======================= q-point: (-0.50 0.29 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( -7.673 3.445 3.800) 9.230 2.791 ( 7.673 3.445 3.800) 9.230 2.964 ( -4.724 2.319 0.954) 5.348 2.964 ( 4.724 2.319 0.954) 5.348 3.273 ( -4.498 11.822 -0.017) 12.648 3.273 ( 4.498 11.822 -0.017) 12.648 3.993 ( -2.309 7.970 2.375) 8.631 3.993 ( 2.309 7.970 2.375) 8.631 4.424 ( -0.430 -18.532 0.226) 18.538 4.424 ( 0.430 -18.532 0.226) 18.538 4.860 ( -2.253 -14.376 -1.633) 14.643 4.860 ( 2.253 -14.376 -1.633) 14.643 5.297 ( -7.539 2.495 2.305) 8.269 5.297 ( 7.539 2.495 2.305) 8.269 5.361 ( -8.995 1.386 -1.885) 9.295 5.361 ( 8.995 1.386 -1.885) 9.295 6.080 ( -4.664 3.106 5.798) 8.063 6.080 ( 4.664 3.106 5.798) 8.063 6.139 ( -2.208 1.785 -0.014) 2.839 6.139 ( 2.208 1.785 -0.014) 2.839 6.419 ( -2.334 5.718 -2.244) 6.571 6.419 ( 2.334 5.718 -2.244) 6.571 6.923 ( -2.109 -7.571 -2.094) 8.134 6.923 ( 2.109 -7.571 -2.094) 8.134 7.768 ( -0.877 9.608 -1.243) 9.728 7.768 ( 0.877 9.608 -1.243) 9.728 8.279 ( -1.329 -4.311 0.751) 4.573 8.279 ( 1.329 -4.311 0.751) 4.573 8.769 ( -0.750 2.501 -0.288) 2.627 8.769 ( 0.750 2.501 -0.288) 2.627 9.047 ( -1.759 -6.342 -0.726) 6.622 9.047 ( 1.759 -6.342 -0.726) 6.622 9.549 ( -1.147 0.323 -1.432) 1.863 9.549 ( 1.147 0.323 -1.432) 1.863 9.819 ( -3.195 -7.846 -4.208) 9.459 9.819 ( 3.195 -7.846 -4.208) 9.459 9.903 ( -1.210 8.812 0.262) 8.899 9.903 ( 1.210 8.812 0.262) 8.899 10.320 ( -0.128 -3.551 1.004) 3.693 10.320 ( 0.128 -3.551 1.004) 3.693 11.922 ( -3.926 11.637 3.441) 12.755 11.922 ( 3.926 11.637 3.441) 12.755 12.142 ( -3.324 12.299 -2.383) 12.962 12.142 ( 3.324 12.299 -2.383) 12.962 13.757 ( -3.974 -5.699 1.426) 7.092 13.757 ( 3.974 -5.699 1.426) 7.092 14.010 ( -3.333 -8.233 -2.423) 9.206 14.010 ( 3.333 -8.233 -2.423) 9.206 ======================= Grid point 342 (116/120) ======================= q-point: ( 0.00 0.43 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 0.000 -0.289 4.633) 4.642 2.421 ( 0.000 -3.652 1.037) 3.797 3.173 ( 0.000 8.922 9.093) 12.739 3.287 ( 0.000 -0.218 -0.840) 0.868 3.646 ( 0.000 2.365 3.528) 4.247 3.747 ( 0.000 -5.170 -5.400) 7.476 4.327 ( 0.000 3.077 9.991) 10.454 4.342 ( 0.000 0.645 6.003) 6.038 4.499 ( 0.000 9.186 10.186) 13.716 4.525 ( 0.000 0.662 4.063) 4.117 4.724 ( 0.000 6.438 -1.105) 6.532 4.756 ( 0.000 -6.433 -7.330) 9.752 5.032 ( 0.000 -4.577 1.801) 4.919 5.092 ( 0.000 -2.939 -3.273) 4.399 5.293 ( 0.000 -5.079 -2.503) 5.662 5.306 ( 0.000 -4.178 -4.663) 6.260 5.692 ( 0.000 3.877 -2.611) 4.674 5.730 ( 0.000 0.557 -6.105) 6.131 6.020 ( 0.000 -1.300 -0.011) 1.300 6.039 ( 0.000 -2.691 -1.705) 3.185 6.940 ( 0.000 2.255 2.696) 3.515 6.954 ( 0.000 -0.447 2.345) 2.387 6.996 ( 0.000 -0.773 -1.236) 1.458 7.009 ( 0.000 -3.513 -1.557) 3.842 7.728 ( 0.000 2.478 0.754) 2.590 7.732 ( 0.000 0.390 0.508) 0.640 7.736 ( 0.000 0.548 3.429) 3.473 7.796 ( 0.000 -3.288 -2.301) 4.013 8.586 ( 0.000 2.869 -1.954) 3.471 8.616 ( 0.000 0.554 -4.931) 4.962 8.896 ( 0.000 2.098 1.557) 2.613 8.963 ( 0.000 -3.203 -4.581) 5.590 9.466 ( 0.000 -1.439 0.393) 1.492 9.474 ( 0.000 -1.743 -0.216) 1.757 9.849 ( 0.000 2.274 -0.047) 2.275 9.879 ( 0.000 -0.599 -2.573) 2.642 10.313 ( 0.000 5.162 1.231) 5.307 10.352 ( 0.000 1.760 -2.333) 2.922 10.687 ( 0.000 -1.526 1.742) 2.316 10.696 ( 0.000 -2.806 0.901) 2.947 11.654 ( 0.000 14.466 6.813) 15.990 11.788 ( 0.000 7.870 -5.336) 9.509 12.057 ( 0.000 -6.344 2.185) 6.710 12.110 ( 0.000 -5.071 -2.125) 5.498 13.546 ( 0.000 1.607 1.022) 1.904 13.576 ( 0.000 -1.928 -2.088) 2.842 14.212 ( 0.000 -1.264 0.512) 1.364 14.246 ( 0.000 -4.156 -2.573) 4.888 ======================= Grid point 343 (117/120) ======================= q-point: ( 0.12 0.43 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 3.011 0.450 4.584) 5.503 2.452 ( 3.256 -3.192 0.710) 4.615 3.184 ( 0.923 7.652 8.414) 11.411 3.281 ( -0.798 -0.440 -0.047) 0.913 3.676 ( 2.868 3.324 3.689) 5.734 3.767 ( 1.793 -3.636 -4.410) 5.990 4.179 ( -10.526 10.438 6.402) 16.148 4.249 ( -9.018 3.331 1.801) 9.781 4.387 ( -8.573 -4.530 7.706) 12.385 4.489 ( -8.541 -8.293 1.019) 11.948 4.752 ( 4.052 7.042 4.310) 9.197 4.850 ( 7.457 3.232 -3.909) 9.018 4.985 ( -6.308 -4.452 1.582) 7.881 5.065 ( -1.544 -6.100 -4.907) 7.980 5.334 ( 4.538 -2.751 -0.682) 5.351 5.365 ( 5.816 -4.418 -3.358) 8.039 5.760 ( 6.284 3.679 -1.828) 7.508 5.792 ( 6.087 0.882 -4.748) 7.770 6.063 ( 3.814 -0.617 -0.015) 3.864 6.076 ( 3.441 -1.700 -1.353) 4.069 6.793 ( -11.904 2.867 3.528) 12.742 6.832 ( -11.265 -0.311 0.719) 11.293 6.984 ( -1.069 -1.741 -0.231) 2.056 7.014 ( -0.054 -4.124 -2.256) 4.701 7.711 ( -0.288 4.634 1.564) 4.899 7.743 ( -0.580 1.936 -1.426) 2.473 7.880 ( 11.660 -1.677 2.237) 11.990 7.903 ( 10.948 -3.594 -0.002) 11.523 8.628 ( 4.130 2.830 -1.703) 5.288 8.661 ( 4.387 0.269 -4.943) 6.615 8.885 ( -1.194 1.722 1.376) 2.507 8.947 ( -1.602 -3.140 -4.382) 5.624 9.466 ( 0.096 -1.504 0.081) 1.509 9.473 ( -0.060 -1.730 -0.346) 1.766 9.858 ( 0.969 2.361 0.037) 2.553 9.886 ( 0.824 -0.309 -2.287) 2.451 10.235 ( -7.781 4.324 0.995) 8.957 10.276 ( -7.581 0.557 -2.814) 8.106 10.633 ( -5.348 -1.081 1.565) 5.677 10.639 ( -5.661 -1.846 1.039) 6.044 11.722 ( 6.647 13.731 6.542) 16.599 11.847 ( 5.855 7.353 -4.879) 10.590 12.106 ( 4.721 -5.246 2.003) 7.336 12.149 ( 3.727 -3.709 -1.444) 5.453 13.548 ( 0.337 1.430 0.991) 1.772 13.581 ( 0.665 -2.297 -2.389) 3.380 14.170 ( -4.319 -1.359 0.665) 4.577 14.206 ( -4.051 -4.467 -2.677) 6.598 ======================= Grid point 344 (118/120) ======================= q-point: ( 0.25 0.43 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 6.381 2.032 4.327) 7.973 2.544 ( 6.541 -2.088 0.035) 6.867 3.191 ( -0.910 4.290 6.516) 7.855 3.248 ( -3.005 -0.955 1.468) 3.478 3.715 ( -1.623 8.374 4.966) 9.870 3.776 ( -1.615 5.717 -0.331) 5.950 4.037 ( -3.312 6.390 -0.701) 7.232 4.072 ( -6.634 8.046 -2.107) 10.639 4.207 ( -8.978 -12.548 6.085) 16.586 4.306 ( -8.463 -13.781 -2.430) 16.353 4.764 ( -4.064 0.984 5.825) 7.170 4.826 ( -9.525 -5.245 1.648) 10.998 5.007 ( 8.842 2.646 -1.173) 9.304 5.076 ( 3.817 -4.073 -6.295) 8.414 5.433 ( 4.425 0.085 1.681) 4.735 5.480 ( 4.722 -3.726 -2.615) 6.559 5.895 ( 7.472 4.111 1.843) 8.725 5.936 ( 8.248 0.469 -1.629) 8.420 6.131 ( 2.718 0.615 0.162) 2.792 6.143 ( 3.087 -0.301 -0.755) 3.192 6.588 ( -7.964 3.737 3.072) 9.319 6.633 ( -7.910 0.178 -0.593) 7.935 6.932 ( -4.725 -1.830 0.417) 5.085 6.979 ( -4.177 -5.467 -3.398) 7.674 7.742 ( 4.069 4.761 0.704) 6.302 7.761 ( 3.417 3.069 -1.099) 4.722 8.092 ( 8.985 -1.868 1.937) 9.379 8.107 ( 8.873 -3.253 0.445) 9.461 8.725 ( 5.527 2.839 -1.109) 6.312 8.760 ( 5.255 0.766 -4.451) 6.929 8.859 ( -0.989 0.096 1.156) 1.524 8.913 ( -1.274 -3.488 -3.968) 5.435 9.473 ( 0.656 -1.506 -0.746) 1.804 9.476 ( 0.744 -1.711 -0.941) 2.089 9.881 ( 0.772 2.676 -0.109) 2.788 9.911 ( 1.435 0.144 -2.284) 2.702 10.054 ( -9.600 2.810 0.759) 10.031 10.095 ( -10.204 -1.205 -3.202) 10.762 10.499 ( -8.392 -0.763 1.368) 8.537 10.502 ( -8.293 -0.910 1.142) 8.421 11.879 ( 9.216 12.587 5.949) 16.696 11.986 ( 8.114 6.726 -3.932) 11.248 12.206 ( 4.880 -2.716 1.757) 5.854 12.228 ( 4.049 -0.905 -0.073) 4.149 13.565 ( 1.624 1.033 0.981) 2.160 13.606 ( 2.167 -3.172 -3.149) 4.967 14.056 ( -7.359 -1.744 1.023) 7.632 14.099 ( -6.963 -5.346 -2.969) 9.268 ======================= Grid point 345 (119/120) ======================= q-point: ( 0.38 0.43 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( 10.471 3.223 3.881) 11.623 2.703 ( 10.244 -0.892 -0.353) 10.289 3.112 ( -8.201 1.123 4.544) 9.443 3.144 ( -8.631 -1.767 1.661) 8.965 3.616 ( -4.628 19.069 4.588) 20.152 3.691 ( -6.817 15.252 -2.037) 16.830 3.987 ( -0.201 -7.690 3.582) 8.485 4.048 ( -3.744 -19.198 0.344) 19.563 4.145 ( 5.196 7.614 0.685) 9.244 4.224 ( 0.294 -3.399 -4.658) 5.773 4.630 ( -8.233 -8.006 1.522) 11.585 4.652 ( -8.360 -9.988 0.133) 13.025 5.179 ( 9.087 1.592 0.032) 9.226 5.196 ( 8.169 -0.183 -1.782) 8.363 5.452 ( -2.957 1.490 2.132) 3.938 5.494 ( -3.690 -2.192 -1.826) 4.664 6.035 ( 7.055 3.607 5.066) 9.404 6.074 ( 5.913 -0.040 2.313) 6.349 6.166 ( 1.221 1.378 0.530) 1.916 6.180 ( 0.600 0.210 0.312) 0.708 6.519 ( 0.428 5.650 0.900) 5.738 6.562 ( -0.060 3.065 -2.734) 4.108 6.815 ( -6.727 -3.966 0.190) 7.811 6.861 ( -7.422 -6.822 -3.812) 10.777 7.861 ( 7.734 6.082 0.341) 9.845 7.873 ( 7.556 5.192 -0.804) 9.203 8.180 ( 0.085 -3.096 1.483) 3.434 8.196 ( 0.012 -4.378 -0.017) 4.378 8.807 ( 2.640 3.292 -0.498) 4.249 8.824 ( 1.455 4.414 -1.989) 5.055 8.879 ( 3.187 -4.080 0.462) 5.198 8.922 ( 1.714 -5.094 -3.340) 6.328 9.502 ( 2.875 -0.382 -1.409) 3.225 9.516 ( 3.651 -1.593 -2.828) 4.885 9.787 ( -9.485 0.470 -1.535) 9.620 9.834 ( -9.913 -3.537 -5.481) 11.867 10.006 ( 3.798 4.015 1.501) 5.727 10.020 ( 3.271 2.845 0.117) 4.337 10.333 ( -8.644 -1.610 1.450) 8.912 10.339 ( -8.507 -1.932 0.896) 8.770 12.048 ( 8.105 11.555 5.007) 14.975 12.128 ( 6.019 7.431 -2.408) 9.862 12.262 ( 1.106 0.873 2.483) 2.855 12.288 ( 1.684 -0.164 -0.096) 1.695 13.618 ( 4.125 0.882 0.992) 4.333 13.667 ( 4.186 -3.226 -3.786) 6.501 13.906 ( -7.877 -3.052 1.277) 8.544 13.955 ( -7.860 -6.703 -3.294) 10.842 ======================= Grid point 346 (120/120) ======================= q-point: (-0.50 0.43 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( -6.457 4.215 2.702) 8.170 2.872 ( 6.457 4.215 2.702) 8.170 2.949 ( -5.876 -2.926 1.306) 6.693 2.949 ( 5.876 -2.926 1.306) 6.693 3.597 ( -2.367 18.658 0.903) 18.830 3.597 ( 2.367 18.658 0.903) 18.830 3.995 ( -1.353 -18.753 3.008) 19.040 3.995 ( 1.353 -18.753 3.008) 19.040 4.241 ( -2.089 11.835 -1.858) 12.160 4.241 ( 2.089 11.835 -1.858) 12.160 4.541 ( -1.177 -15.974 -1.128) 16.056 4.541 ( 1.177 -15.974 -1.128) 16.056 5.340 ( -7.434 1.737 1.424) 7.766 5.340 ( 7.434 1.737 1.424) 7.766 5.366 ( -8.403 -0.688 -0.560) 8.450 5.366 ( 8.403 -0.688 -0.560) 8.450 6.138 ( -1.950 2.451 3.984) 5.068 6.138 ( 1.950 2.451 3.984) 5.068 6.167 ( -0.416 0.019 1.962) 2.005 6.167 ( 0.416 0.019 1.962) 2.005 6.564 ( -2.100 8.467 -2.227) 9.003 6.564 ( 2.100 8.467 -2.227) 9.003 6.749 ( -2.158 -9.181 -2.080) 9.657 6.749 ( 2.158 -9.181 -2.080) 9.657 7.972 ( -0.687 9.894 -0.261) 9.921 7.972 ( 0.687 9.894 -0.261) 9.921 8.155 ( -0.878 -7.751 0.474) 7.815 8.155 ( 0.878 -7.751 0.474) 7.815 8.836 ( -0.406 4.018 -0.733) 4.104 8.836 ( 0.406 4.018 -0.733) 4.104 8.931 ( -1.377 -5.178 -0.942) 5.440 8.931 ( 1.377 -5.178 -0.942) 5.440 9.579 ( -2.519 2.881 -2.766) 4.722 9.579 ( 2.519 2.881 -2.766) 4.722 9.670 ( -3.472 -6.026 -3.917) 7.982 9.670 ( 3.472 -6.026 -3.917) 7.982 10.081 ( -0.704 7.968 1.031) 8.065 10.081 ( 0.704 7.968 1.031) 8.065 10.223 ( -0.527 -5.879 1.029) 5.991 10.223 ( 0.527 -5.879 1.029) 5.991 12.163 ( -3.110 10.495 2.568) 11.243 12.163 ( 3.110 10.495 2.568) 11.243 12.283 ( -1.641 0.219 0.163) 1.664 12.283 ( 1.641 0.219 0.163) 1.664 13.708 ( -3.502 1.946 -0.493) 4.037 13.708 ( 3.502 1.946 -0.493) 4.037 13.829 ( -3.452 -8.634 -2.046) 9.521 13.829 ( 3.452 -8.634 -2.046) 9.521 =================== 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 3/29568 10.0 1179.423 1453.495 999.856 0.000 0.000 -0.000 3/29568 20.0 468.658 550.949 424.332 0.000 0.000 -0.000 3/29568 30.0 206.813 216.818 162.651 0.000 0.000 -0.000 3/29568 40.0 109.962 114.033 84.878 0.000 0.000 0.000 3/29568 50.0 67.810 70.949 52.968 0.000 0.000 0.000 3/29568 60.0 46.375 48.895 36.736 0.000 0.000 0.000 3/29568 70.0 34.096 36.056 27.292 0.000 0.000 0.000 3/29568 80.0 26.431 27.934 21.300 0.000 0.000 0.000 3/29568 90.0 21.327 22.481 17.256 0.000 0.000 0.000 3/29568 100.0 17.752 18.650 14.397 0.000 0.000 0.000 3/29568 110.0 15.143 15.854 12.296 0.000 0.000 0.000 3/29568 120.0 13.175 13.748 10.704 0.000 0.000 0.000 3/29568 130.0 11.646 12.118 9.464 0.000 0.000 0.000 3/29568 140.0 10.431 10.827 8.476 0.000 0.000 0.000 3/29568 150.0 9.445 9.783 7.674 0.000 0.000 0.000 3/29568 160.0 8.630 8.924 7.010 0.000 0.000 0.000 3/29568 170.0 7.946 8.206 6.454 0.000 0.000 0.000 3/29568 180.0 7.365 7.597 5.980 0.000 0.000 0.000 3/29568 190.0 6.865 7.075 5.573 0.000 0.000 0.000 3/29568 200.0 6.431 6.623 5.220 0.000 0.000 0.000 3/29568 210.0 6.050 6.227 4.910 0.000 0.000 0.000 3/29568 220.0 5.713 5.877 4.635 0.000 0.000 0.000 3/29568 230.0 5.413 5.567 4.391 0.000 0.000 0.000 3/29568 240.0 5.144 5.289 4.173 0.000 0.000 0.000 3/29568 250.0 4.901 5.038 3.975 0.000 0.000 0.000 3/29568 260.0 4.682 4.811 3.797 0.000 0.000 0.000 3/29568 270.0 4.481 4.605 3.634 0.000 0.000 0.000 3/29568 280.0 4.298 4.416 3.485 0.000 0.000 0.000 3/29568 290.0 4.130 4.243 3.348 0.000 0.000 0.000 3/29568 300.0 3.975 4.084 3.222 0.000 0.000 0.000 3/29568 310.0 3.831 3.936 3.106 0.000 0.000 0.000 3/29568 320.0 3.698 3.799 2.998 0.000 0.000 0.000 3/29568 330.0 3.574 3.672 2.897 0.000 0.000 0.000 3/29568 340.0 3.459 3.553 2.803 0.000 0.000 0.000 3/29568 350.0 3.351 3.442 2.716 0.000 0.000 0.000 3/29568 360.0 3.249 3.338 2.633 0.000 0.000 0.000 3/29568 370.0 3.154 3.240 2.556 0.000 0.000 0.000 3/29568 380.0 3.064 3.148 2.483 0.000 0.000 0.000 3/29568 390.0 2.980 3.062 2.415 0.000 0.000 0.000 3/29568 400.0 2.900 2.980 2.350 0.000 0.000 0.000 3/29568 410.0 2.824 2.902 2.289 0.000 0.000 0.000 3/29568 420.0 2.753 2.828 2.231 0.000 0.000 0.000 3/29568 430.0 2.685 2.759 2.176 0.000 0.000 0.000 3/29568 440.0 2.620 2.692 2.123 0.000 0.000 0.000 3/29568 450.0 2.558 2.629 2.073 0.000 0.000 0.000 3/29568 460.0 2.500 2.569 2.026 0.000 0.000 0.000 3/29568 470.0 2.444 2.511 1.980 0.000 0.000 0.000 3/29568 480.0 2.390 2.457 1.937 0.000 0.000 0.000 3/29568 490.0 2.339 2.404 1.895 0.000 0.000 0.000 3/29568 500.0 2.290 2.354 1.856 0.000 0.000 0.000 3/29568 510.0 2.243 2.306 1.818 0.000 0.000 0.000 3/29568 520.0 2.199 2.260 1.781 0.000 0.000 0.000 3/29568 530.0 2.155 2.215 1.746 0.000 0.000 0.000 3/29568 540.0 2.114 2.173 1.713 0.000 0.000 0.000 3/29568 550.0 2.074 2.132 1.680 0.000 0.000 0.000 3/29568 560.0 2.036 2.092 1.649 0.000 0.000 0.000 3/29568 570.0 1.999 2.054 1.619 0.000 0.000 0.000 3/29568 580.0 1.963 2.018 1.590 0.000 0.000 0.000 3/29568 590.0 1.929 1.983 1.563 0.000 0.000 0.000 3/29568 600.0 1.895 1.949 1.536 0.000 0.000 0.000 3/29568 610.0 1.863 1.916 1.510 0.000 0.000 0.000 3/29568 620.0 1.833 1.884 1.485 0.000 0.000 0.000 3/29568 630.0 1.803 1.853 1.460 0.000 0.000 0.000 3/29568 640.0 1.774 1.823 1.437 0.000 0.000 0.000 3/29568 650.0 1.746 1.795 1.414 0.000 0.000 0.000 3/29568 660.0 1.719 1.767 1.392 0.000 0.000 0.000 3/29568 670.0 1.692 1.740 1.371 0.000 0.000 0.000 3/29568 680.0 1.667 1.714 1.350 0.000 0.000 0.000 3/29568 690.0 1.642 1.688 1.330 0.000 0.000 0.000 3/29568 700.0 1.618 1.664 1.311 0.000 0.000 0.000 3/29568 710.0 1.595 1.640 1.292 0.000 0.000 0.000 3/29568 720.0 1.572 1.616 1.274 0.000 0.000 0.000 3/29568 730.0 1.550 1.594 1.256 0.000 0.000 0.000 3/29568 740.0 1.529 1.572 1.238 0.000 0.000 0.000 3/29568 750.0 1.508 1.551 1.222 0.000 0.000 0.000 3/29568 760.0 1.488 1.530 1.205 0.000 0.000 0.000 3/29568 770.0 1.468 1.510 1.189 0.000 0.000 0.000 3/29568 780.0 1.449 1.490 1.174 0.000 0.000 0.000 3/29568 790.0 1.430 1.471 1.159 0.000 0.000 0.000 3/29568 800.0 1.412 1.452 1.144 0.000 0.000 0.000 3/29568 810.0 1.394 1.434 1.130 0.000 0.000 0.000 3/29568 820.0 1.377 1.416 1.116 0.000 0.000 0.000 3/29568 830.0 1.360 1.399 1.102 0.000 0.000 0.000 3/29568 840.0 1.344 1.382 1.089 0.000 0.000 0.000 3/29568 850.0 1.328 1.365 1.076 0.000 0.000 0.000 3/29568 860.0 1.312 1.349 1.063 0.000 0.000 0.000 3/29568 870.0 1.297 1.334 1.050 0.000 0.000 0.000 3/29568 880.0 1.282 1.318 1.038 0.000 0.000 0.000 3/29568 890.0 1.267 1.303 1.027 0.000 0.000 0.000 3/29568 900.0 1.253 1.289 1.015 0.000 0.000 0.000 3/29568 910.0 1.239 1.274 1.004 0.000 0.000 0.000 3/29568 920.0 1.225 1.260 0.993 0.000 0.000 0.000 3/29568 930.0 1.212 1.246 0.982 0.000 0.000 0.000 3/29568 940.0 1.199 1.233 0.971 0.000 0.000 0.000 3/29568 950.0 1.186 1.220 0.961 0.000 0.000 0.000 3/29568 960.0 1.174 1.207 0.951 0.000 0.000 0.000 3/29568 970.0 1.161 1.195 0.941 0.000 0.000 0.000 3/29568 980.0 1.149 1.182 0.931 0.000 0.000 0.000 3/29568 990.0 1.138 1.170 0.922 0.000 0.000 0.000 3/29568 1000.0 1.126 1.158 0.912 0.000 0.000 0.000 3/29568 Thermal conductivity related properties were written into "kappa-m8711.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:22:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|