----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:53:34]------------------------- 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 6.410454170000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.852434860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.326682170000000 Atomic positions (fractional): *1 F 0.66537018829803 0.43673692960584 0.88494498863914 18.998 2 F 0.83462981170197 0.56326307039416 0.38494498863914 18.998 3 F 0.16537018829803 0.06326307039416 0.61505501136086 18.998 4 F 0.33462981170197 0.93673692960584 0.11505501136086 18.998 *5 F 0.02057274787884 0.25000000000000 0.08185815222687 18.998 6 F 0.47942725212116 0.75000000000000 0.58185815222687 18.998 7 F 0.52057274787884 0.25000000000000 0.41814184777313 18.998 8 F 0.97942725212116 0.75000000000000 0.91814184777313 18.998 9 F 0.66537018829803 0.06326307039416 0.88494498863914 18.998 10 F 0.83462981170197 0.93673692960584 0.38494498863914 18.998 11 F 0.16537018829803 0.43673692960584 0.61505501136086 18.998 12 F 0.33462981170197 0.56326307039416 0.11505501136086 18.998 *13 Tb 0.13050175913020 0.75000000000000 0.43421661159480 158.925 14 Tb 0.36949824086980 0.25000000000000 0.93421661159480 158.925 15 Tb 0.63050175913020 0.75000000000000 0.06578338840520 158.925 16 Tb 0.86949824086980 0.25000000000000 0.56578338840520 158.925 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.410454170000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.852434860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.326682170000000 Atomic positions (fractional): *1 F 0.66537018829803 0.43673692960584 0.88494498863914 18.998 > 1 2 F 0.83462981170197 0.56326307039416 0.38494498863914 18.998 > 2 3 F 0.16537018829803 0.06326307039416 0.61505501136086 18.998 > 3 4 F 0.33462981170197 0.93673692960584 0.11505501136086 18.998 > 4 *5 F 0.02057274787884 0.25000000000000 0.08185815222687 18.998 > 5 6 F 0.47942725212116 0.75000000000000 0.58185815222687 18.998 > 6 7 F 0.52057274787884 0.25000000000000 0.41814184777313 18.998 > 7 8 F 0.97942725212116 0.75000000000000 0.91814184777313 18.998 > 8 9 F 0.66537018829803 0.06326307039416 0.88494498863914 18.998 > 9 10 F 0.83462981170197 0.93673692960584 0.38494498863914 18.998 > 10 11 F 0.16537018829803 0.43673692960584 0.61505501136086 18.998 > 11 12 F 0.33462981170197 0.56326307039416 0.11505501136086 18.998 > 12 *13 Tb 0.13050175913020 0.75000000000000 0.43421661159480 158.925 > 13 14 Tb 0.36949824086980 0.25000000000000 0.93421661159480 158.925 > 14 15 Tb 0.63050175913020 0.75000000000000 0.06578338840520 158.925 > 15 16 Tb 0.86949824086980 0.25000000000000 0.56578338840520 158.925 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.820908340000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.704869720000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.653364340000000 Atomic positions (fractional): *1 F 0.33268509414901 0.21836846480292 0.44247249431957 18.998 > 1 2 F 0.83268509414901 0.21836846480292 0.44247249431957 18.998 > 1 3 F 0.33268509414901 0.71836846480292 0.44247249431957 18.998 > 1 4 F 0.83268509414901 0.71836846480292 0.44247249431957 18.998 > 1 5 F 0.33268509414901 0.21836846480292 0.94247249431957 18.998 > 1 6 F 0.83268509414901 0.21836846480292 0.94247249431957 18.998 > 1 7 F 0.33268509414901 0.71836846480292 0.94247249431957 18.998 > 1 8 F 0.83268509414901 0.71836846480292 0.94247249431957 18.998 > 1 9 F 0.41731490585099 0.28163153519708 0.19247249431957 18.998 > 2 10 F 0.91731490585099 0.28163153519708 0.19247249431957 18.998 > 2 11 F 0.41731490585099 0.78163153519708 0.19247249431957 18.998 > 2 12 F 0.91731490585099 0.78163153519708 0.19247249431957 18.998 > 2 13 F 0.41731490585099 0.28163153519708 0.69247249431957 18.998 > 2 14 F 0.91731490585099 0.28163153519708 0.69247249431957 18.998 > 2 15 F 0.41731490585099 0.78163153519708 0.69247249431957 18.998 > 2 16 F 0.91731490585099 0.78163153519708 0.69247249431957 18.998 > 2 17 F 0.08268509414901 0.03163153519708 0.30752750568043 18.998 > 3 18 F 0.58268509414902 0.03163153519708 0.30752750568043 18.998 > 3 19 F 0.08268509414901 0.53163153519708 0.30752750568043 18.998 > 3 20 F 0.58268509414902 0.53163153519708 0.30752750568043 18.998 > 3 21 F 0.08268509414901 0.03163153519708 0.80752750568043 18.998 > 3 22 F 0.58268509414902 0.03163153519708 0.80752750568043 18.998 > 3 23 F 0.08268509414901 0.53163153519708 0.80752750568043 18.998 > 3 24 F 0.58268509414902 0.53163153519708 0.80752750568043 18.998 > 3 25 F 0.16731490585098 0.46836846480292 0.05752750568043 18.998 > 4 26 F 0.66731490585098 0.46836846480292 0.05752750568043 18.998 > 4 27 F 0.16731490585098 0.96836846480292 0.05752750568043 18.998 > 4 28 F 0.66731490585098 0.96836846480292 0.05752750568043 18.998 > 4 29 F 0.16731490585098 0.46836846480292 0.55752750568043 18.998 > 4 30 F 0.66731490585098 0.46836846480292 0.55752750568043 18.998 > 4 31 F 0.16731490585098 0.96836846480292 0.55752750568043 18.998 > 4 32 F 0.66731490585098 0.96836846480292 0.55752750568043 18.998 > 4 *33 F 0.01028637393942 0.12500000000000 0.04092907611344 18.998 > 5 34 F 0.51028637393942 0.12500000000000 0.04092907611344 18.998 > 5 35 F 0.01028637393942 0.62500000000000 0.04092907611344 18.998 > 5 36 F 0.51028637393942 0.62500000000000 0.04092907611344 18.998 > 5 37 F 0.01028637393942 0.12500000000000 0.54092907611344 18.998 > 5 38 F 0.51028637393942 0.12500000000000 0.54092907611344 18.998 > 5 39 F 0.01028637393942 0.62500000000000 0.54092907611344 18.998 > 5 40 F 0.51028637393942 0.62500000000000 0.54092907611344 18.998 > 5 41 F 0.23971362606058 0.37500000000000 0.29092907611344 18.998 > 6 42 F 0.73971362606058 0.37500000000000 0.29092907611344 18.998 > 6 43 F 0.23971362606058 0.87500000000000 0.29092907611344 18.998 > 6 44 F 0.73971362606058 0.87500000000000 0.29092907611344 18.998 > 6 45 F 0.23971362606058 0.37500000000000 0.79092907611344 18.998 > 6 46 F 0.73971362606058 0.37500000000000 0.79092907611344 18.998 > 6 47 F 0.23971362606058 0.87500000000000 0.79092907611344 18.998 > 6 48 F 0.73971362606058 0.87500000000000 0.79092907611344 18.998 > 6 49 F 0.26028637393942 0.12500000000000 0.20907092388656 18.998 > 7 50 F 0.76028637393942 0.12500000000000 0.20907092388656 18.998 > 7 51 F 0.26028637393942 0.62500000000000 0.20907092388656 18.998 > 7 52 F 0.76028637393942 0.62500000000000 0.20907092388656 18.998 > 7 53 F 0.26028637393942 0.12500000000000 0.70907092388656 18.998 > 7 54 F 0.76028637393942 0.12500000000000 0.70907092388656 18.998 > 7 55 F 0.26028637393942 0.62500000000000 0.70907092388656 18.998 > 7 56 F 0.76028637393942 0.62500000000000 0.70907092388656 18.998 > 7 57 F 0.48971362606058 0.37500000000000 0.45907092388656 18.998 > 8 58 F 0.98971362606058 0.37500000000000 0.45907092388656 18.998 > 8 59 F 0.48971362606058 0.87500000000000 0.45907092388656 18.998 > 8 60 F 0.98971362606058 0.87500000000000 0.45907092388656 18.998 > 8 61 F 0.48971362606058 0.37500000000000 0.95907092388656 18.998 > 8 62 F 0.98971362606058 0.37500000000000 0.95907092388656 18.998 > 8 63 F 0.48971362606058 0.87500000000000 0.95907092388656 18.998 > 8 64 F 0.98971362606058 0.87500000000000 0.95907092388656 18.998 > 8 65 F 0.33268509414901 0.03163153519708 0.44247249431957 18.998 > 9 66 F 0.83268509414901 0.03163153519708 0.44247249431957 18.998 > 9 67 F 0.33268509414901 0.53163153519708 0.44247249431957 18.998 > 9 68 F 0.83268509414901 0.53163153519708 0.44247249431957 18.998 > 9 69 F 0.33268509414901 0.03163153519708 0.94247249431957 18.998 > 9 70 F 0.83268509414901 0.03163153519708 0.94247249431957 18.998 > 9 71 F 0.33268509414901 0.53163153519708 0.94247249431957 18.998 > 9 72 F 0.83268509414901 0.53163153519708 0.94247249431957 18.998 > 9 73 F 0.41731490585099 0.46836846480292 0.19247249431957 18.998 > 10 74 F 0.91731490585099 0.46836846480292 0.19247249431957 18.998 > 10 75 F 0.41731490585099 0.96836846480292 0.19247249431957 18.998 > 10 76 F 0.91731490585099 0.96836846480292 0.19247249431957 18.998 > 10 77 F 0.41731490585099 0.46836846480292 0.69247249431957 18.998 > 10 78 F 0.91731490585099 0.46836846480292 0.69247249431957 18.998 > 10 79 F 0.41731490585099 0.96836846480292 0.69247249431957 18.998 > 10 80 F 0.91731490585099 0.96836846480292 0.69247249431957 18.998 > 10 81 F 0.08268509414901 0.21836846480292 0.30752750568043 18.998 > 11 82 F 0.58268509414902 0.21836846480292 0.30752750568043 18.998 > 11 83 F 0.08268509414901 0.71836846480292 0.30752750568043 18.998 > 11 84 F 0.58268509414902 0.71836846480292 0.30752750568043 18.998 > 11 85 F 0.08268509414901 0.21836846480292 0.80752750568043 18.998 > 11 86 F 0.58268509414902 0.21836846480292 0.80752750568043 18.998 > 11 87 F 0.08268509414901 0.71836846480292 0.80752750568043 18.998 > 11 88 F 0.58268509414902 0.71836846480292 0.80752750568043 18.998 > 11 89 F 0.16731490585098 0.28163153519708 0.05752750568043 18.998 > 12 90 F 0.66731490585098 0.28163153519708 0.05752750568043 18.998 > 12 91 F 0.16731490585098 0.78163153519708 0.05752750568043 18.998 > 12 92 F 0.66731490585098 0.78163153519708 0.05752750568043 18.998 > 12 93 F 0.16731490585098 0.28163153519708 0.55752750568043 18.998 > 12 94 F 0.66731490585098 0.28163153519708 0.55752750568043 18.998 > 12 95 F 0.16731490585098 0.78163153519708 0.55752750568043 18.998 > 12 96 F 0.66731490585098 0.78163153519708 0.55752750568043 18.998 > 12 *97 Tb 0.06525087956510 0.37500000000000 0.21710830579740 158.925 > 13 98 Tb 0.56525087956510 0.37500000000000 0.21710830579740 158.925 > 13 99 Tb 0.06525087956510 0.87500000000000 0.21710830579740 158.925 > 13 100 Tb 0.56525087956510 0.87500000000000 0.21710830579740 158.925 > 13 101 Tb 0.06525087956510 0.37500000000000 0.71710830579740 158.925 > 13 102 Tb 0.56525087956510 0.37500000000000 0.71710830579740 158.925 > 13 103 Tb 0.06525087956510 0.87500000000000 0.71710830579740 158.925 > 13 104 Tb 0.56525087956510 0.87500000000000 0.71710830579740 158.925 > 13 105 Tb 0.18474912043490 0.12500000000000 0.46710830579740 158.925 > 14 106 Tb 0.68474912043490 0.12500000000000 0.46710830579740 158.925 > 14 107 Tb 0.18474912043490 0.62500000000000 0.46710830579740 158.925 > 14 108 Tb 0.68474912043490 0.62500000000000 0.46710830579740 158.925 > 14 109 Tb 0.18474912043490 0.12500000000000 0.96710830579740 158.925 > 14 110 Tb 0.68474912043490 0.12500000000000 0.96710830579740 158.925 > 14 111 Tb 0.18474912043490 0.62500000000000 0.96710830579740 158.925 > 14 112 Tb 0.68474912043490 0.62500000000000 0.96710830579740 158.925 > 14 113 Tb 0.31525087956510 0.37500000000000 0.03289169420260 158.925 > 15 114 Tb 0.81525087956510 0.37500000000000 0.03289169420260 158.925 > 15 115 Tb 0.31525087956510 0.87500000000000 0.03289169420260 158.925 > 15 116 Tb 0.81525087956510 0.87500000000000 0.03289169420260 158.925 > 15 117 Tb 0.31525087956510 0.37500000000000 0.53289169420260 158.925 > 15 118 Tb 0.81525087956510 0.37500000000000 0.53289169420260 158.925 > 15 119 Tb 0.31525087956510 0.87500000000000 0.53289169420260 158.925 > 15 120 Tb 0.81525087956510 0.87500000000000 0.53289169420260 158.925 > 15 121 Tb 0.43474912043490 0.12500000000000 0.28289169420260 158.925 > 16 122 Tb 0.93474912043490 0.12500000000000 0.28289169420260 158.925 > 16 123 Tb 0.43474912043490 0.62500000000000 0.28289169420260 158.925 > 16 124 Tb 0.93474912043490 0.62500000000000 0.28289169420260 158.925 > 16 125 Tb 0.43474912043490 0.12500000000000 0.78289169420260 158.925 > 16 126 Tb 0.93474912043490 0.12500000000000 0.78289169420260 158.925 > 16 127 Tb 0.43474912043490 0.62500000000000 0.78289169420260 158.925 > 16 128 Tb 0.93474912043490 0.62500000000000 0.78289169420260 158.925 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8353290 0.0000000 0.0000000 0.0000000 2.7755819 0.0000000 0.0000000 0.0000000 2.7032278 -------------------------- Born effective charges -------------------------- 1 F -1.2825690 -0.0204879 0.2462723 -0.0140566 -1.5958474 -0.3456583 0.2699265 -0.3518466 -1.0028587 2 F -1.2825690 -0.0204879 -0.2462723 -0.0140566 -1.5958474 0.3456583 -0.2699265 0.3518466 -1.0028587 3 F -1.2825690 0.0204879 -0.2462723 0.0140566 -1.5958474 -0.3456583 -0.2699265 -0.3518466 -1.0028587 4 F -1.2825690 0.0204879 0.2462723 0.0140566 -1.5958474 0.3456583 0.2699265 0.3518466 -1.0028587 5 F -1.4403490 0.0000000 0.2089471 0.0000000 -0.7208509 0.0000000 0.2314345 0.0000000 -1.6740147 6 F -1.4403490 0.0000000 -0.2089471 0.0000000 -0.7208509 0.0000000 -0.2314345 0.0000000 -1.6740147 7 F -1.4403490 0.0000000 -0.2089471 0.0000000 -0.7208509 0.0000000 -0.2314345 0.0000000 -1.6740147 8 F -1.4403490 0.0000000 0.2089471 0.0000000 -0.7208509 0.0000000 0.2314345 0.0000000 -1.6740147 9 F -1.2825690 0.0204879 0.2462723 0.0140566 -1.5958474 0.3456583 0.2699265 0.3518466 -1.0028587 10 F -1.2825690 0.0204879 -0.2462723 0.0140566 -1.5958474 -0.3456583 -0.2699265 -0.3518466 -1.0028587 11 F -1.2825690 -0.0204879 -0.2462723 -0.0140566 -1.5958474 0.3456583 -0.2699265 0.3518466 -1.0028587 12 F -1.2825690 -0.0204879 0.2462723 -0.0140566 -1.5958474 -0.3456583 0.2699265 -0.3518466 -1.0028587 13 Tb 4.0054871 0.0000000 -0.2615813 0.0000000 3.9125456 0.0000000 -0.1561975 0.0000000 3.6797320 14 Tb 4.0054871 0.0000000 0.2615813 0.0000000 3.9125456 0.0000000 0.1561975 0.0000000 3.6797320 15 Tb 4.0054871 0.0000000 0.2615813 0.0000000 3.9125456 0.0000000 0.1561975 0.0000000 3.6797320 16 Tb 4.0054871 0.0000000 -0.2615813 0.0000000 3.9125456 0.0000000 -0.1561975 0.0000000 3.6797320 ---------------------------------------------------------------------------- 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: 1.708 Solver_block: 200 / 240 - Time: 1.753 Solver_block: 240 / 240 - Time: 0.765 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.252 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 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 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:53:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:53:51]------------------------- 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: 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 6.410454170000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.852434860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.326682170000000 Atomic positions (fractional): 1 F 0.66537018829803 0.43673692960584 0.88494498863914 18.998 2 F 0.83462981170197 0.56326307039416 0.38494498863914 18.998 3 F 0.16537018829803 0.06326307039416 0.61505501136086 18.998 4 F 0.33462981170197 0.93673692960584 0.11505501136086 18.998 5 F 0.02057274787884 0.25000000000000 0.08185815222687 18.998 6 F 0.47942725212116 0.75000000000000 0.58185815222687 18.998 7 F 0.52057274787884 0.25000000000000 0.41814184777313 18.998 8 F 0.97942725212116 0.75000000000000 0.91814184777313 18.998 9 F 0.66537018829803 0.06326307039416 0.88494498863914 18.998 10 F 0.83462981170197 0.93673692960584 0.38494498863914 18.998 11 F 0.16537018829803 0.43673692960584 0.61505501136086 18.998 12 F 0.33462981170197 0.56326307039416 0.11505501136086 18.998 13 Tb 0.13050175913020 0.75000000000000 0.43421661159480 158.925 14 Tb 0.36949824086980 0.25000000000000 0.93421661159480 158.925 15 Tb 0.63050175913020 0.75000000000000 0.06578338840520 158.925 16 Tb 0.86949824086980 0.25000000000000 0.56578338840520 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.820908340000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.704869720000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.653364340000000 Atomic positions (fractional): 1 F 0.33268509414901 0.21836846480292 0.44247249431957 18.998 > 1 2 F 0.83268509414901 0.21836846480292 0.44247249431957 18.998 > 1 3 F 0.33268509414901 0.71836846480292 0.44247249431957 18.998 > 1 4 F 0.83268509414901 0.71836846480292 0.44247249431957 18.998 > 1 5 F 0.33268509414901 0.21836846480292 0.94247249431957 18.998 > 1 6 F 0.83268509414901 0.21836846480292 0.94247249431957 18.998 > 1 7 F 0.33268509414901 0.71836846480292 0.94247249431957 18.998 > 1 8 F 0.83268509414901 0.71836846480292 0.94247249431957 18.998 > 1 9 F 0.41731490585099 0.28163153519708 0.19247249431957 18.998 > 9 10 F 0.91731490585099 0.28163153519708 0.19247249431957 18.998 > 9 11 F 0.41731490585099 0.78163153519708 0.19247249431957 18.998 > 9 12 F 0.91731490585099 0.78163153519708 0.19247249431957 18.998 > 9 13 F 0.41731490585099 0.28163153519708 0.69247249431957 18.998 > 9 14 F 0.91731490585099 0.28163153519708 0.69247249431957 18.998 > 9 15 F 0.41731490585099 0.78163153519708 0.69247249431957 18.998 > 9 16 F 0.91731490585099 0.78163153519708 0.69247249431957 18.998 > 9 17 F 0.08268509414901 0.03163153519708 0.30752750568043 18.998 > 17 18 F 0.58268509414902 0.03163153519708 0.30752750568043 18.998 > 17 19 F 0.08268509414901 0.53163153519708 0.30752750568043 18.998 > 17 20 F 0.58268509414902 0.53163153519708 0.30752750568043 18.998 > 17 21 F 0.08268509414901 0.03163153519708 0.80752750568043 18.998 > 17 22 F 0.58268509414902 0.03163153519708 0.80752750568043 18.998 > 17 23 F 0.08268509414901 0.53163153519708 0.80752750568043 18.998 > 17 24 F 0.58268509414902 0.53163153519708 0.80752750568043 18.998 > 17 25 F 0.16731490585098 0.46836846480292 0.05752750568043 18.998 > 25 26 F 0.66731490585098 0.46836846480292 0.05752750568043 18.998 > 25 27 F 0.16731490585098 0.96836846480292 0.05752750568043 18.998 > 25 28 F 0.66731490585098 0.96836846480292 0.05752750568043 18.998 > 25 29 F 0.16731490585098 0.46836846480292 0.55752750568043 18.998 > 25 30 F 0.66731490585098 0.46836846480292 0.55752750568043 18.998 > 25 31 F 0.16731490585098 0.96836846480292 0.55752750568043 18.998 > 25 32 F 0.66731490585098 0.96836846480292 0.55752750568043 18.998 > 25 33 F 0.01028637393942 0.12500000000000 0.04092907611344 18.998 > 33 34 F 0.51028637393942 0.12500000000000 0.04092907611344 18.998 > 33 35 F 0.01028637393942 0.62500000000000 0.04092907611344 18.998 > 33 36 F 0.51028637393942 0.62500000000000 0.04092907611344 18.998 > 33 37 F 0.01028637393942 0.12500000000000 0.54092907611344 18.998 > 33 38 F 0.51028637393942 0.12500000000000 0.54092907611344 18.998 > 33 39 F 0.01028637393942 0.62500000000000 0.54092907611344 18.998 > 33 40 F 0.51028637393942 0.62500000000000 0.54092907611344 18.998 > 33 41 F 0.23971362606058 0.37500000000000 0.29092907611344 18.998 > 41 42 F 0.73971362606058 0.37500000000000 0.29092907611344 18.998 > 41 43 F 0.23971362606058 0.87500000000000 0.29092907611344 18.998 > 41 44 F 0.73971362606058 0.87500000000000 0.29092907611344 18.998 > 41 45 F 0.23971362606058 0.37500000000000 0.79092907611344 18.998 > 41 46 F 0.73971362606058 0.37500000000000 0.79092907611344 18.998 > 41 47 F 0.23971362606058 0.87500000000000 0.79092907611344 18.998 > 41 48 F 0.73971362606058 0.87500000000000 0.79092907611344 18.998 > 41 49 F 0.26028637393942 0.12500000000000 0.20907092388656 18.998 > 49 50 F 0.76028637393942 0.12500000000000 0.20907092388656 18.998 > 49 51 F 0.26028637393942 0.62500000000000 0.20907092388656 18.998 > 49 52 F 0.76028637393942 0.62500000000000 0.20907092388656 18.998 > 49 53 F 0.26028637393942 0.12500000000000 0.70907092388656 18.998 > 49 54 F 0.76028637393942 0.12500000000000 0.70907092388656 18.998 > 49 55 F 0.26028637393942 0.62500000000000 0.70907092388656 18.998 > 49 56 F 0.76028637393942 0.62500000000000 0.70907092388656 18.998 > 49 57 F 0.48971362606058 0.37500000000000 0.45907092388656 18.998 > 57 58 F 0.98971362606058 0.37500000000000 0.45907092388656 18.998 > 57 59 F 0.48971362606058 0.87500000000000 0.45907092388656 18.998 > 57 60 F 0.98971362606058 0.87500000000000 0.45907092388656 18.998 > 57 61 F 0.48971362606058 0.37500000000000 0.95907092388656 18.998 > 57 62 F 0.98971362606058 0.37500000000000 0.95907092388656 18.998 > 57 63 F 0.48971362606058 0.87500000000000 0.95907092388656 18.998 > 57 64 F 0.98971362606058 0.87500000000000 0.95907092388656 18.998 > 57 65 F 0.33268509414901 0.03163153519708 0.44247249431957 18.998 > 65 66 F 0.83268509414901 0.03163153519708 0.44247249431957 18.998 > 65 67 F 0.33268509414901 0.53163153519708 0.44247249431957 18.998 > 65 68 F 0.83268509414901 0.53163153519708 0.44247249431957 18.998 > 65 69 F 0.33268509414901 0.03163153519708 0.94247249431957 18.998 > 65 70 F 0.83268509414901 0.03163153519708 0.94247249431957 18.998 > 65 71 F 0.33268509414901 0.53163153519708 0.94247249431957 18.998 > 65 72 F 0.83268509414901 0.53163153519708 0.94247249431957 18.998 > 65 73 F 0.41731490585099 0.46836846480292 0.19247249431957 18.998 > 73 74 F 0.91731490585099 0.46836846480292 0.19247249431957 18.998 > 73 75 F 0.41731490585099 0.96836846480292 0.19247249431957 18.998 > 73 76 F 0.91731490585099 0.96836846480292 0.19247249431957 18.998 > 73 77 F 0.41731490585099 0.46836846480292 0.69247249431957 18.998 > 73 78 F 0.91731490585099 0.46836846480292 0.69247249431957 18.998 > 73 79 F 0.41731490585099 0.96836846480292 0.69247249431957 18.998 > 73 80 F 0.91731490585099 0.96836846480292 0.69247249431957 18.998 > 73 81 F 0.08268509414901 0.21836846480292 0.30752750568043 18.998 > 81 82 F 0.58268509414902 0.21836846480292 0.30752750568043 18.998 > 81 83 F 0.08268509414901 0.71836846480292 0.30752750568043 18.998 > 81 84 F 0.58268509414902 0.71836846480292 0.30752750568043 18.998 > 81 85 F 0.08268509414901 0.21836846480292 0.80752750568043 18.998 > 81 86 F 0.58268509414902 0.21836846480292 0.80752750568043 18.998 > 81 87 F 0.08268509414901 0.71836846480292 0.80752750568043 18.998 > 81 88 F 0.58268509414902 0.71836846480292 0.80752750568043 18.998 > 81 89 F 0.16731490585098 0.28163153519708 0.05752750568043 18.998 > 89 90 F 0.66731490585098 0.28163153519708 0.05752750568043 18.998 > 89 91 F 0.16731490585098 0.78163153519708 0.05752750568043 18.998 > 89 92 F 0.66731490585098 0.78163153519708 0.05752750568043 18.998 > 89 93 F 0.16731490585098 0.28163153519708 0.55752750568043 18.998 > 89 94 F 0.66731490585098 0.28163153519708 0.55752750568043 18.998 > 89 95 F 0.16731490585098 0.78163153519708 0.55752750568043 18.998 > 89 96 F 0.66731490585098 0.78163153519708 0.55752750568043 18.998 > 89 97 Tb 0.06525087956510 0.37500000000000 0.21710830579740 158.925 > 97 98 Tb 0.56525087956510 0.37500000000000 0.21710830579740 158.925 > 97 99 Tb 0.06525087956510 0.87500000000000 0.21710830579740 158.925 > 97 100 Tb 0.56525087956510 0.87500000000000 0.21710830579740 158.925 > 97 101 Tb 0.06525087956510 0.37500000000000 0.71710830579740 158.925 > 97 102 Tb 0.56525087956510 0.37500000000000 0.71710830579740 158.925 > 97 103 Tb 0.06525087956510 0.87500000000000 0.71710830579740 158.925 > 97 104 Tb 0.56525087956510 0.87500000000000 0.71710830579740 158.925 > 97 105 Tb 0.18474912043490 0.12500000000000 0.46710830579740 158.925 > 105 106 Tb 0.68474912043490 0.12500000000000 0.46710830579740 158.925 > 105 107 Tb 0.18474912043490 0.62500000000000 0.46710830579740 158.925 > 105 108 Tb 0.68474912043490 0.62500000000000 0.46710830579740 158.925 > 105 109 Tb 0.18474912043490 0.12500000000000 0.96710830579740 158.925 > 105 110 Tb 0.68474912043490 0.12500000000000 0.96710830579740 158.925 > 105 111 Tb 0.18474912043490 0.62500000000000 0.96710830579740 158.925 > 105 112 Tb 0.68474912043490 0.62500000000000 0.96710830579740 158.925 > 105 113 Tb 0.31525087956510 0.37500000000000 0.03289169420260 158.925 > 113 114 Tb 0.81525087956510 0.37500000000000 0.03289169420260 158.925 > 113 115 Tb 0.31525087956510 0.87500000000000 0.03289169420260 158.925 > 113 116 Tb 0.81525087956510 0.87500000000000 0.03289169420260 158.925 > 113 117 Tb 0.31525087956510 0.37500000000000 0.53289169420260 158.925 > 113 118 Tb 0.81525087956510 0.37500000000000 0.53289169420260 158.925 > 113 119 Tb 0.31525087956510 0.87500000000000 0.53289169420260 158.925 > 113 120 Tb 0.81525087956510 0.87500000000000 0.53289169420260 158.925 > 113 121 Tb 0.43474912043490 0.12500000000000 0.28289169420260 158.925 > 121 122 Tb 0.93474912043490 0.12500000000000 0.28289169420260 158.925 > 121 123 Tb 0.43474912043490 0.62500000000000 0.28289169420260 158.925 > 121 124 Tb 0.93474912043490 0.62500000000000 0.28289169420260 158.925 > 121 125 Tb 0.43474912043490 0.12500000000000 0.78289169420260 158.925 > 121 126 Tb 0.93474912043490 0.12500000000000 0.78289169420260 158.925 > 121 127 Tb 0.43474912043490 0.62500000000000 0.78289169420260 158.925 > 121 128 Tb 0.93474912043490 0.62500000000000 0.78289169420260 158.925 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8353290 0.0000000 0.0000000 0.0000000 2.7755819 0.0000000 0.0000000 0.0000000 2.7032278 -------------------------- Born effective charges -------------------------- 1 F -1.2825690 -0.0204879 0.2462723 -0.0140566 -1.5958474 -0.3456583 0.2699265 -0.3518466 -1.0028587 2 F -1.2825690 -0.0204879 -0.2462723 -0.0140566 -1.5958474 0.3456583 -0.2699265 0.3518466 -1.0028587 3 F -1.2825690 0.0204879 -0.2462723 0.0140566 -1.5958474 -0.3456583 -0.2699265 -0.3518466 -1.0028587 4 F -1.2825690 0.0204879 0.2462723 0.0140566 -1.5958474 0.3456583 0.2699265 0.3518466 -1.0028587 5 F -1.4403490 0.0000000 0.2089471 0.0000000 -0.7208509 0.0000000 0.2314345 0.0000000 -1.6740147 6 F -1.4403490 0.0000000 -0.2089471 0.0000000 -0.7208509 0.0000000 -0.2314345 0.0000000 -1.6740147 7 F -1.4403490 0.0000000 -0.2089471 0.0000000 -0.7208509 0.0000000 -0.2314345 0.0000000 -1.6740147 8 F -1.4403490 0.0000000 0.2089471 0.0000000 -0.7208509 0.0000000 0.2314345 0.0000000 -1.6740147 9 F -1.2825690 0.0204879 0.2462723 0.0140566 -1.5958474 0.3456583 0.2699265 0.3518466 -1.0028587 10 F -1.2825690 0.0204879 -0.2462723 0.0140566 -1.5958474 -0.3456583 -0.2699265 -0.3518466 -1.0028587 11 F -1.2825690 -0.0204879 -0.2462723 -0.0140566 -1.5958474 0.3456583 -0.2699265 0.3518466 -1.0028587 12 F -1.2825690 -0.0204879 0.2462723 -0.0140566 -1.5958474 -0.3456583 0.2699265 -0.3518466 -1.0028587 13 Tb 4.0054871 0.0000000 -0.2615813 0.0000000 3.9125456 0.0000000 -0.1561975 0.0000000 3.6797320 14 Tb 4.0054871 0.0000000 0.2615813 0.0000000 3.9125456 0.0000000 0.1561975 0.0000000 3.6797320 15 Tb 4.0054871 0.0000000 0.2615813 0.0000000 3.9125456 0.0000000 0.1561975 0.0000000 3.6797320 16 Tb 4.0054871 0.0000000 -0.2615813 0.0000000 3.9125456 0.0000000 -0.1561975 0.0000000 3.6797320 ---------------------------------------------------------------------------- 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: -0.00000009 (xxx) -0.00000009 (xxx) -0.00000009 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (xz) -0.00000003 (xz) 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 23:54:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:54:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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 6.410454170000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.852434860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.326682170000000 Atomic positions (fractional): 1 F 0.66537018829803 0.43673692960584 0.88494498863914 18.998 2 F 0.83462981170197 0.56326307039416 0.38494498863914 18.998 3 F 0.16537018829803 0.06326307039416 0.61505501136086 18.998 4 F 0.33462981170197 0.93673692960584 0.11505501136086 18.998 5 F 0.02057274787884 0.25000000000000 0.08185815222687 18.998 6 F 0.47942725212116 0.75000000000000 0.58185815222687 18.998 7 F 0.52057274787884 0.25000000000000 0.41814184777313 18.998 8 F 0.97942725212116 0.75000000000000 0.91814184777313 18.998 9 F 0.66537018829803 0.06326307039416 0.88494498863914 18.998 10 F 0.83462981170197 0.93673692960584 0.38494498863914 18.998 11 F 0.16537018829803 0.43673692960584 0.61505501136086 18.998 12 F 0.33462981170197 0.56326307039416 0.11505501136086 18.998 13 Tb 0.13050175913020 0.75000000000000 0.43421661159480 158.925 14 Tb 0.36949824086980 0.25000000000000 0.93421661159480 158.925 15 Tb 0.63050175913020 0.75000000000000 0.06578338840520 158.925 16 Tb 0.86949824086980 0.25000000000000 0.56578338840520 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.820908340000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.704869720000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.653364340000000 Atomic positions (fractional): 1 F 0.33268509414901 0.21836846480292 0.44247249431957 18.998 > 1 2 F 0.83268509414901 0.21836846480292 0.44247249431957 18.998 > 1 3 F 0.33268509414901 0.71836846480292 0.44247249431957 18.998 > 1 4 F 0.83268509414901 0.71836846480292 0.44247249431957 18.998 > 1 5 F 0.33268509414901 0.21836846480292 0.94247249431957 18.998 > 1 6 F 0.83268509414901 0.21836846480292 0.94247249431957 18.998 > 1 7 F 0.33268509414901 0.71836846480292 0.94247249431957 18.998 > 1 8 F 0.83268509414901 0.71836846480292 0.94247249431957 18.998 > 1 9 F 0.41731490585099 0.28163153519708 0.19247249431957 18.998 > 9 10 F 0.91731490585099 0.28163153519708 0.19247249431957 18.998 > 9 11 F 0.41731490585099 0.78163153519708 0.19247249431957 18.998 > 9 12 F 0.91731490585099 0.78163153519708 0.19247249431957 18.998 > 9 13 F 0.41731490585099 0.28163153519708 0.69247249431957 18.998 > 9 14 F 0.91731490585099 0.28163153519708 0.69247249431957 18.998 > 9 15 F 0.41731490585099 0.78163153519708 0.69247249431957 18.998 > 9 16 F 0.91731490585099 0.78163153519708 0.69247249431957 18.998 > 9 17 F 0.08268509414901 0.03163153519708 0.30752750568043 18.998 > 17 18 F 0.58268509414902 0.03163153519708 0.30752750568043 18.998 > 17 19 F 0.08268509414901 0.53163153519708 0.30752750568043 18.998 > 17 20 F 0.58268509414902 0.53163153519708 0.30752750568043 18.998 > 17 21 F 0.08268509414901 0.03163153519708 0.80752750568043 18.998 > 17 22 F 0.58268509414902 0.03163153519708 0.80752750568043 18.998 > 17 23 F 0.08268509414901 0.53163153519708 0.80752750568043 18.998 > 17 24 F 0.58268509414902 0.53163153519708 0.80752750568043 18.998 > 17 25 F 0.16731490585098 0.46836846480292 0.05752750568043 18.998 > 25 26 F 0.66731490585098 0.46836846480292 0.05752750568043 18.998 > 25 27 F 0.16731490585098 0.96836846480292 0.05752750568043 18.998 > 25 28 F 0.66731490585098 0.96836846480292 0.05752750568043 18.998 > 25 29 F 0.16731490585098 0.46836846480292 0.55752750568043 18.998 > 25 30 F 0.66731490585098 0.46836846480292 0.55752750568043 18.998 > 25 31 F 0.16731490585098 0.96836846480292 0.55752750568043 18.998 > 25 32 F 0.66731490585098 0.96836846480292 0.55752750568043 18.998 > 25 33 F 0.01028637393942 0.12500000000000 0.04092907611344 18.998 > 33 34 F 0.51028637393942 0.12500000000000 0.04092907611344 18.998 > 33 35 F 0.01028637393942 0.62500000000000 0.04092907611344 18.998 > 33 36 F 0.51028637393942 0.62500000000000 0.04092907611344 18.998 > 33 37 F 0.01028637393942 0.12500000000000 0.54092907611344 18.998 > 33 38 F 0.51028637393942 0.12500000000000 0.54092907611344 18.998 > 33 39 F 0.01028637393942 0.62500000000000 0.54092907611344 18.998 > 33 40 F 0.51028637393942 0.62500000000000 0.54092907611344 18.998 > 33 41 F 0.23971362606058 0.37500000000000 0.29092907611344 18.998 > 41 42 F 0.73971362606058 0.37500000000000 0.29092907611344 18.998 > 41 43 F 0.23971362606058 0.87500000000000 0.29092907611344 18.998 > 41 44 F 0.73971362606058 0.87500000000000 0.29092907611344 18.998 > 41 45 F 0.23971362606058 0.37500000000000 0.79092907611344 18.998 > 41 46 F 0.73971362606058 0.37500000000000 0.79092907611344 18.998 > 41 47 F 0.23971362606058 0.87500000000000 0.79092907611344 18.998 > 41 48 F 0.73971362606058 0.87500000000000 0.79092907611344 18.998 > 41 49 F 0.26028637393942 0.12500000000000 0.20907092388656 18.998 > 49 50 F 0.76028637393942 0.12500000000000 0.20907092388656 18.998 > 49 51 F 0.26028637393942 0.62500000000000 0.20907092388656 18.998 > 49 52 F 0.76028637393942 0.62500000000000 0.20907092388656 18.998 > 49 53 F 0.26028637393942 0.12500000000000 0.70907092388656 18.998 > 49 54 F 0.76028637393942 0.12500000000000 0.70907092388656 18.998 > 49 55 F 0.26028637393942 0.62500000000000 0.70907092388656 18.998 > 49 56 F 0.76028637393942 0.62500000000000 0.70907092388656 18.998 > 49 57 F 0.48971362606058 0.37500000000000 0.45907092388656 18.998 > 57 58 F 0.98971362606058 0.37500000000000 0.45907092388656 18.998 > 57 59 F 0.48971362606058 0.87500000000000 0.45907092388656 18.998 > 57 60 F 0.98971362606058 0.87500000000000 0.45907092388656 18.998 > 57 61 F 0.48971362606058 0.37500000000000 0.95907092388656 18.998 > 57 62 F 0.98971362606058 0.37500000000000 0.95907092388656 18.998 > 57 63 F 0.48971362606058 0.87500000000000 0.95907092388656 18.998 > 57 64 F 0.98971362606058 0.87500000000000 0.95907092388656 18.998 > 57 65 F 0.33268509414901 0.03163153519708 0.44247249431957 18.998 > 65 66 F 0.83268509414901 0.03163153519708 0.44247249431957 18.998 > 65 67 F 0.33268509414901 0.53163153519708 0.44247249431957 18.998 > 65 68 F 0.83268509414901 0.53163153519708 0.44247249431957 18.998 > 65 69 F 0.33268509414901 0.03163153519708 0.94247249431957 18.998 > 65 70 F 0.83268509414901 0.03163153519708 0.94247249431957 18.998 > 65 71 F 0.33268509414901 0.53163153519708 0.94247249431957 18.998 > 65 72 F 0.83268509414901 0.53163153519708 0.94247249431957 18.998 > 65 73 F 0.41731490585099 0.46836846480292 0.19247249431957 18.998 > 73 74 F 0.91731490585099 0.46836846480292 0.19247249431957 18.998 > 73 75 F 0.41731490585099 0.96836846480292 0.19247249431957 18.998 > 73 76 F 0.91731490585099 0.96836846480292 0.19247249431957 18.998 > 73 77 F 0.41731490585099 0.46836846480292 0.69247249431957 18.998 > 73 78 F 0.91731490585099 0.46836846480292 0.69247249431957 18.998 > 73 79 F 0.41731490585099 0.96836846480292 0.69247249431957 18.998 > 73 80 F 0.91731490585099 0.96836846480292 0.69247249431957 18.998 > 73 81 F 0.08268509414901 0.21836846480292 0.30752750568043 18.998 > 81 82 F 0.58268509414902 0.21836846480292 0.30752750568043 18.998 > 81 83 F 0.08268509414901 0.71836846480292 0.30752750568043 18.998 > 81 84 F 0.58268509414902 0.71836846480292 0.30752750568043 18.998 > 81 85 F 0.08268509414901 0.21836846480292 0.80752750568043 18.998 > 81 86 F 0.58268509414902 0.21836846480292 0.80752750568043 18.998 > 81 87 F 0.08268509414901 0.71836846480292 0.80752750568043 18.998 > 81 88 F 0.58268509414902 0.71836846480292 0.80752750568043 18.998 > 81 89 F 0.16731490585098 0.28163153519708 0.05752750568043 18.998 > 89 90 F 0.66731490585098 0.28163153519708 0.05752750568043 18.998 > 89 91 F 0.16731490585098 0.78163153519708 0.05752750568043 18.998 > 89 92 F 0.66731490585098 0.78163153519708 0.05752750568043 18.998 > 89 93 F 0.16731490585098 0.28163153519708 0.55752750568043 18.998 > 89 94 F 0.66731490585098 0.28163153519708 0.55752750568043 18.998 > 89 95 F 0.16731490585098 0.78163153519708 0.55752750568043 18.998 > 89 96 F 0.66731490585098 0.78163153519708 0.55752750568043 18.998 > 89 97 Tb 0.06525087956510 0.37500000000000 0.21710830579740 158.925 > 97 98 Tb 0.56525087956510 0.37500000000000 0.21710830579740 158.925 > 97 99 Tb 0.06525087956510 0.87500000000000 0.21710830579740 158.925 > 97 100 Tb 0.56525087956510 0.87500000000000 0.21710830579740 158.925 > 97 101 Tb 0.06525087956510 0.37500000000000 0.71710830579740 158.925 > 97 102 Tb 0.56525087956510 0.37500000000000 0.71710830579740 158.925 > 97 103 Tb 0.06525087956510 0.87500000000000 0.71710830579740 158.925 > 97 104 Tb 0.56525087956510 0.87500000000000 0.71710830579740 158.925 > 97 105 Tb 0.18474912043490 0.12500000000000 0.46710830579740 158.925 > 105 106 Tb 0.68474912043490 0.12500000000000 0.46710830579740 158.925 > 105 107 Tb 0.18474912043490 0.62500000000000 0.46710830579740 158.925 > 105 108 Tb 0.68474912043490 0.62500000000000 0.46710830579740 158.925 > 105 109 Tb 0.18474912043490 0.12500000000000 0.96710830579740 158.925 > 105 110 Tb 0.68474912043490 0.12500000000000 0.96710830579740 158.925 > 105 111 Tb 0.18474912043490 0.62500000000000 0.96710830579740 158.925 > 105 112 Tb 0.68474912043490 0.62500000000000 0.96710830579740 158.925 > 105 113 Tb 0.31525087956510 0.37500000000000 0.03289169420260 158.925 > 113 114 Tb 0.81525087956510 0.37500000000000 0.03289169420260 158.925 > 113 115 Tb 0.31525087956510 0.87500000000000 0.03289169420260 158.925 > 113 116 Tb 0.81525087956510 0.87500000000000 0.03289169420260 158.925 > 113 117 Tb 0.31525087956510 0.37500000000000 0.53289169420260 158.925 > 113 118 Tb 0.81525087956510 0.37500000000000 0.53289169420260 158.925 > 113 119 Tb 0.31525087956510 0.87500000000000 0.53289169420260 158.925 > 113 120 Tb 0.81525087956510 0.87500000000000 0.53289169420260 158.925 > 113 121 Tb 0.43474912043490 0.12500000000000 0.28289169420260 158.925 > 121 122 Tb 0.93474912043490 0.12500000000000 0.28289169420260 158.925 > 121 123 Tb 0.43474912043490 0.62500000000000 0.28289169420260 158.925 > 121 124 Tb 0.93474912043490 0.62500000000000 0.28289169420260 158.925 > 121 125 Tb 0.43474912043490 0.12500000000000 0.78289169420260 158.925 > 121 126 Tb 0.93474912043490 0.12500000000000 0.78289169420260 158.925 > 121 127 Tb 0.43474912043490 0.62500000000000 0.78289169420260 158.925 > 121 128 Tb 0.93474912043490 0.62500000000000 0.78289169420260 158.925 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8353290 0.0000000 0.0000000 0.0000000 2.7755819 0.0000000 0.0000000 0.0000000 2.7032278 -------------------------- Born effective charges -------------------------- 1 F -1.2825690 -0.0204879 0.2462723 -0.0140566 -1.5958474 -0.3456583 0.2699265 -0.3518466 -1.0028587 2 F -1.2825690 -0.0204879 -0.2462723 -0.0140566 -1.5958474 0.3456583 -0.2699265 0.3518466 -1.0028587 3 F -1.2825690 0.0204879 -0.2462723 0.0140566 -1.5958474 -0.3456583 -0.2699265 -0.3518466 -1.0028587 4 F -1.2825690 0.0204879 0.2462723 0.0140566 -1.5958474 0.3456583 0.2699265 0.3518466 -1.0028587 5 F -1.4403490 0.0000000 0.2089471 0.0000000 -0.7208509 0.0000000 0.2314345 0.0000000 -1.6740147 6 F -1.4403490 0.0000000 -0.2089471 0.0000000 -0.7208509 0.0000000 -0.2314345 0.0000000 -1.6740147 7 F -1.4403490 0.0000000 -0.2089471 0.0000000 -0.7208509 0.0000000 -0.2314345 0.0000000 -1.6740147 8 F -1.4403490 0.0000000 0.2089471 0.0000000 -0.7208509 0.0000000 0.2314345 0.0000000 -1.6740147 9 F -1.2825690 0.0204879 0.2462723 0.0140566 -1.5958474 0.3456583 0.2699265 0.3518466 -1.0028587 10 F -1.2825690 0.0204879 -0.2462723 0.0140566 -1.5958474 -0.3456583 -0.2699265 -0.3518466 -1.0028587 11 F -1.2825690 -0.0204879 -0.2462723 -0.0140566 -1.5958474 0.3456583 -0.2699265 0.3518466 -1.0028587 12 F -1.2825690 -0.0204879 0.2462723 -0.0140566 -1.5958474 -0.3456583 0.2699265 -0.3518466 -1.0028587 13 Tb 4.0054871 0.0000000 -0.2615813 0.0000000 3.9125456 0.0000000 -0.1561975 0.0000000 3.6797320 14 Tb 4.0054871 0.0000000 0.2615813 0.0000000 3.9125456 0.0000000 0.1561975 0.0000000 3.6797320 15 Tb 4.0054871 0.0000000 0.2615813 0.0000000 3.9125456 0.0000000 0.1561975 0.0000000 3.6797320 16 Tb 4.0054871 0.0000000 -0.2615813 0.0000000 3.9125456 0.0000000 -0.1561975 0.0000000 3.6797320 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000009 (xxx) -0.00000009 (xxx) -0.00000009 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 12 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.72, Number of G-points: 299, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/140) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 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 2.749 ( 0.000 0.000 0.000) 0.000 2.898 ( 0.000 0.000 0.000) 0.000 3.326 ( 0.000 0.000 0.000) 0.000 3.805 ( 0.000 0.000 0.000) 0.000 3.887 ( 0.000 0.000 0.000) 0.000 3.890 ( 0.000 0.000 0.000) 0.000 3.991 ( 0.000 0.000 0.000) 0.000 4.135 ( 0.000 0.000 0.000) 0.000 4.959 ( 0.000 0.000 0.000) 0.000 5.180 ( 0.000 0.000 0.000) 0.000 5.546 ( 0.000 0.000 0.000) 0.000 5.681 ( 0.000 0.000 0.000) 0.000 6.084 ( 0.000 0.000 0.000) 0.000 6.190 ( 0.000 0.000 0.000) 0.000 6.252 ( 0.000 0.000 0.000) 0.000 6.344 ( 0.000 0.000 0.000) 0.000 6.441 ( 0.000 0.000 0.000) 0.000 6.894 ( 0.000 0.000 0.000) 0.000 7.266 ( 0.000 0.000 0.000) 0.000 7.282 ( 0.000 0.000 0.000) 0.000 7.288 ( 0.000 0.000 0.000) 0.000 7.798 ( 0.000 0.000 0.000) 0.000 7.843 ( 0.000 0.000 0.000) 0.000 8.284 ( 0.000 0.000 0.000) 0.000 8.292 ( 0.000 0.000 0.000) 0.000 8.942 ( 0.000 0.000 0.000) 0.000 9.227 ( 0.000 0.000 0.000) 0.000 9.611 ( 0.000 0.000 0.000) 0.000 9.736 ( 0.000 0.000 0.000) 0.000 10.069 ( 0.000 0.000 0.000) 0.000 10.173 ( 0.000 0.000 0.000) 0.000 10.206 ( 0.000 0.000 0.000) 0.000 10.221 ( 0.000 0.000 0.000) 0.000 10.250 ( 0.000 0.000 0.000) 0.000 10.658 ( 0.000 0.000 0.000) 0.000 10.903 ( 0.000 0.000 0.000) 0.000 11.080 ( 0.000 0.000 0.000) 0.000 11.483 ( 0.000 0.000 0.000) 0.000 11.749 ( 0.000 0.000 0.000) 0.000 11.963 ( 0.000 0.000 0.000) 0.000 12.315 ( 0.000 0.000 0.000) 0.000 12.932 ( 0.000 0.000 0.000) 0.000 13.132 ( 0.000 0.000 0.000) 0.000 14.639 ( 0.000 0.000 0.000) 0.000 15.295 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/140) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 28.940 0.000 0.000) 28.940 0.580 ( 29.501 0.000 0.000) 29.501 1.064 ( 53.585 0.000 0.000) 53.585 2.820 ( 5.765 0.000 0.000) 5.765 2.909 ( 1.138 0.000 0.000) 1.138 3.318 ( -0.743 0.000 0.000) 0.743 3.575 ( -19.511 0.000 0.000) 19.511 3.882 ( 0.523 0.000 0.000) 0.523 3.889 ( 0.263 0.000 0.000) 0.263 4.000 ( -0.420 0.000 0.000) 0.420 4.177 ( 4.180 0.000 0.000) 4.180 4.958 ( -0.257 0.000 0.000) 0.257 5.365 ( 15.148 0.000 0.000) 15.148 5.548 ( 1.393 0.000 0.000) 1.393 5.649 ( -3.071 0.000 0.000) 3.071 6.059 ( -15.773 0.000 0.000) 15.773 6.092 ( 0.733 0.000 0.000) 0.733 6.218 ( -0.458 0.000 0.000) 0.458 6.265 ( -8.289 0.000 0.000) 8.289 6.408 ( -3.090 0.000 0.000) 3.090 6.993 ( -13.283 0.000 0.000) 13.283 7.211 ( -5.420 0.000 0.000) 5.420 7.572 ( 15.826 0.000 0.000) 15.826 7.839 ( 4.071 0.000 0.000) 4.071 7.912 ( 6.748 0.000 0.000) 6.748 8.341 ( 4.939 0.000 0.000) 4.939 8.352 ( 6.455 0.000 0.000) 6.455 8.918 ( -2.428 0.000 0.000) 2.428 9.121 ( -4.429 0.000 0.000) 4.429 9.169 ( -5.081 0.000 0.000) 5.081 9.743 ( -0.366 0.000 0.000) 0.366 10.029 ( -4.048 0.000 0.000) 4.048 10.140 ( -2.992 0.000 0.000) 2.992 10.213 ( 0.436 0.000 0.000) 0.436 10.219 ( -3.117 0.000 0.000) 3.117 10.265 ( 4.655 0.000 0.000) 4.655 10.664 ( 0.833 0.000 0.000) 0.833 10.821 ( -7.700 0.000 0.000) 7.700 10.957 ( -3.020 0.000 0.000) 3.020 11.072 ( -0.850 0.000 0.000) 0.850 11.804 ( 5.147 0.000 0.000) 5.147 12.041 ( 7.614 0.000 0.000) 7.614 12.305 ( -0.999 0.000 0.000) 0.999 12.964 ( 3.186 0.000 0.000) 3.186 13.102 ( -3.036 0.000 0.000) 3.036 13.695 ( -3.029 0.000 0.000) 3.029 14.939 ( 3.049 0.000 0.000) 3.049 15.292 ( -0.324 0.000 0.000) 0.324 ======================= Grid point 2 (3/140) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 27.967 0.000 0.000) 27.967 1.145 ( 28.323 0.000 0.000) 28.323 2.050 ( 44.889 0.000 0.000) 44.889 2.898 ( 2.527 0.000 0.000) 2.527 2.944 ( 2.496 0.000 0.000) 2.496 3.138 ( -24.082 0.000 0.000) 24.082 3.285 ( -3.247 0.000 0.000) 3.247 3.896 ( 0.444 0.000 0.000) 0.444 3.976 ( -1.704 0.000 0.000) 1.704 4.003 ( 13.815 0.000 0.000) 13.815 4.281 ( 5.816 0.000 0.000) 5.816 4.942 ( -1.507 0.000 0.000) 1.507 5.477 ( -0.997 0.000 0.000) 0.997 5.574 ( -4.306 0.000 0.000) 4.306 5.638 ( -26.386 0.000 0.000) 26.386 5.801 ( 20.547 0.000 0.000) 20.547 5.976 ( -19.205 0.000 0.000) 19.205 6.112 ( 1.288 0.000 0.000) 1.288 6.252 ( 2.145 0.000 0.000) 2.145 6.337 ( -3.824 0.000 0.000) 3.824 6.753 ( -11.254 0.000 0.000) 11.254 7.065 ( -9.274 0.000 0.000) 9.274 7.876 ( 14.923 0.000 0.000) 14.923 7.951 ( 7.116 0.000 0.000) 7.116 8.087 ( 10.653 0.000 0.000) 10.653 8.473 ( 8.057 0.000 0.000) 8.057 8.508 ( 8.744 0.000 0.000) 8.744 8.845 ( -5.129 0.000 0.000) 5.129 9.005 ( -7.061 0.000 0.000) 7.061 9.060 ( -5.726 0.000 0.000) 5.726 9.704 ( -3.190 0.000 0.000) 3.190 9.921 ( -6.711 0.000 0.000) 6.711 10.065 ( -4.393 0.000 0.000) 4.393 10.135 ( -5.282 0.000 0.000) 5.282 10.224 ( 0.841 0.000 0.000) 0.841 10.391 ( 7.530 0.000 0.000) 7.530 10.638 ( -10.190 0.000 0.000) 10.190 10.701 ( 3.080 0.000 0.000) 3.080 10.877 ( -4.949 0.000 0.000) 4.949 11.044 ( -2.193 0.000 0.000) 2.193 11.923 ( 6.493 0.000 0.000) 6.493 12.235 ( 11.667 0.000 0.000) 11.667 12.275 ( -2.075 0.000 0.000) 2.075 13.016 ( -5.698 0.000 0.000) 5.698 13.051 ( 5.672 0.000 0.000) 5.672 13.609 ( -5.691 0.000 0.000) 5.691 15.017 ( 4.737 0.000 0.000) 4.737 15.280 ( -0.990 0.000 0.000) 0.990 ======================= Grid point 3 (4/140) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 26.685 0.000 0.000) 26.685 1.677 ( 25.996 0.000 0.000) 25.996 2.458 ( -6.728 0.000 0.000) 6.728 2.658 ( -24.951 0.000 0.000) 24.951 3.007 ( 3.856 0.000 0.000) 3.856 3.181 ( 0.939 0.000 0.000) 0.939 3.267 ( 31.578 0.000 0.000) 31.578 3.906 ( 0.593 0.000 0.000) 0.593 3.944 ( -1.474 0.000 0.000) 1.474 4.353 ( -1.545 0.000 0.000) 1.545 4.398 ( 24.313 0.000 0.000) 24.313 4.905 ( -1.558 0.000 0.000) 1.558 5.086 ( -27.261 0.000 0.000) 27.261 5.452 ( -1.013 0.000 0.000) 1.013 5.495 ( -3.378 0.000 0.000) 3.378 5.534 ( -25.368 0.000 0.000) 25.368 6.142 ( 1.897 0.000 0.000) 1.897 6.175 ( 12.594 0.000 0.000) 12.594 6.291 ( 3.597 0.000 0.000) 3.597 6.311 ( 3.910 0.000 0.000) 3.910 6.556 ( -8.859 0.000 0.000) 8.859 6.852 ( -12.642 0.000 0.000) 12.642 8.101 ( 7.663 0.000 0.000) 7.663 8.127 ( 9.737 0.000 0.000) 9.737 8.309 ( 11.673 0.000 0.000) 11.673 8.630 ( 7.194 0.000 0.000) 7.194 8.656 ( 4.562 0.000 0.000) 4.562 8.721 ( -6.618 0.000 0.000) 6.618 8.874 ( -5.280 0.000 0.000) 5.280 8.946 ( -6.035 0.000 0.000) 6.035 9.654 ( -1.103 0.000 0.000) 1.103 9.784 ( -6.733 0.000 0.000) 6.733 9.984 ( -3.318 0.000 0.000) 3.318 10.028 ( -5.188 0.000 0.000) 5.188 10.252 ( 2.292 0.000 0.000) 2.292 10.452 ( -8.383 0.000 0.000) 8.383 10.534 ( 6.801 0.000 0.000) 6.801 10.772 ( -5.733 0.000 0.000) 5.733 10.785 ( 5.279 0.000 0.000) 5.279 10.984 ( -3.920 0.000 0.000) 3.920 12.045 ( 5.836 0.000 0.000) 5.836 12.223 ( -3.276 0.000 0.000) 3.276 12.473 ( 12.201 0.000 0.000) 12.201 12.881 ( -8.178 0.000 0.000) 8.178 13.179 ( 7.236 0.000 0.000) 7.236 13.479 ( -7.427 0.000 0.000) 7.427 15.112 ( 4.731 0.000 0.000) 4.731 15.250 ( -2.150 0.000 0.000) 2.150 ======================= Grid point 4 (5/140) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -21.425 0.000 0.000) 21.425 2.145 ( 21.425 0.000 0.000) 21.425 2.166 ( -25.578 0.000 0.000) 25.578 2.166 ( 25.578 0.000 0.000) 25.578 3.092 ( -4.845 0.000 0.000) 4.845 3.092 ( 4.845 0.000 0.000) 4.845 3.921 ( -0.917 0.000 0.000) 0.917 3.921 ( 0.917 0.000 0.000) 0.917 4.009 ( -33.719 0.000 0.000) 33.719 4.009 ( 33.719 0.000 0.000) 33.719 4.765 ( -8.276 0.000 0.000) 8.276 4.765 ( 8.276 0.000 0.000) 8.276 5.039 ( -21.678 0.000 0.000) 21.678 5.039 ( 21.678 0.000 0.000) 21.678 5.451 ( -1.086 0.000 0.000) 1.086 5.451 ( 1.086 0.000 0.000) 1.086 6.185 ( -2.403 0.000 0.000) 2.403 6.185 ( 2.403 0.000 0.000) 2.403 6.409 ( -6.250 0.000 0.000) 6.250 6.409 ( 6.250 0.000 0.000) 6.250 6.572 ( -16.001 0.000 0.000) 16.001 6.572 ( 16.001 0.000 0.000) 16.001 8.208 ( -1.771 0.000 0.000) 1.771 8.208 ( 1.771 0.000 0.000) 1.771 8.528 ( -10.479 0.000 0.000) 10.479 8.528 ( 10.479 0.000 0.000) 10.479 8.718 ( -1.161 0.000 0.000) 1.161 8.718 ( 1.161 0.000 0.000) 1.161 8.846 ( -2.849 0.000 0.000) 2.849 8.846 ( 2.849 0.000 0.000) 2.849 9.678 ( -3.661 0.000 0.000) 3.661 9.678 ( 3.661 0.000 0.000) 3.661 9.960 ( -1.198 0.000 0.000) 1.198 9.960 ( 1.198 0.000 0.000) 1.198 10.321 ( -4.972 0.000 0.000) 4.972 10.321 ( 4.972 0.000 0.000) 4.972 10.657 ( -6.015 0.000 0.000) 6.015 10.657 ( 6.015 0.000 0.000) 6.015 10.892 ( -5.380 0.000 0.000) 5.380 10.892 ( 5.380 0.000 0.000) 5.380 12.147 ( -4.585 0.000 0.000) 4.585 12.147 ( 4.585 0.000 0.000) 4.585 12.697 ( -10.587 0.000 0.000) 10.587 12.697 ( 10.587 0.000 0.000) 10.587 13.328 ( -7.894 0.000 0.000) 7.894 13.328 ( 7.894 0.000 0.000) 7.894 15.194 ( -3.597 0.000 0.000) 3.597 15.194 ( 3.597 0.000 0.000) 3.597 ======================= Grid point 9 (6/140) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 0.000 28.135 0.000) 28.135 0.597 ( 0.000 28.393 0.000) 28.393 1.188 ( 0.000 55.916 0.000) 55.916 2.716 ( 0.000 -3.896 0.000) 3.896 2.819 ( 0.000 -7.571 0.000) 7.571 3.312 ( 0.000 -0.507 0.000) 0.507 3.751 ( 0.000 -4.546 0.000) 4.546 3.845 ( 0.000 -3.493 0.000) 3.493 3.926 ( 0.000 -5.804 0.000) 5.804 3.959 ( 0.000 5.680 0.000) 5.680 4.175 ( 0.000 3.559 0.000) 3.559 4.945 ( 0.000 -1.349 0.000) 1.349 5.204 ( 0.000 2.466 0.000) 2.466 5.338 ( 0.000 -16.294 0.000) 16.294 5.559 ( 0.000 -11.498 0.000) 11.498 6.076 ( 0.000 -9.665 0.000) 9.665 6.341 ( 0.000 8.164 0.000) 8.164 6.399 ( 0.000 4.823 0.000) 4.823 6.586 ( 0.000 9.460 0.000) 9.460 6.900 ( 0.000 0.503 0.000) 0.503 7.159 ( 0.000 -5.222 0.000) 5.222 7.264 ( 0.000 -1.902 0.000) 1.902 7.350 ( 0.000 2.082 0.000) 2.082 7.517 ( 0.000 -14.463 0.000) 14.463 7.563 ( 0.000 4.857 0.000) 4.857 8.083 ( 0.000 10.688 0.000) 10.688 8.243 ( 0.000 -3.829 0.000) 3.829 8.295 ( 0.000 0.518 0.000) 0.518 9.276 ( 0.000 4.498 0.000) 4.498 9.528 ( 0.000 -10.913 0.000) 10.913 9.554 ( 0.000 -4.870 0.000) 4.870 9.741 ( 0.000 0.271 0.000) 0.271 10.162 ( 0.000 -0.027 0.000) 0.027 10.194 ( 0.000 -1.034 0.000) 1.034 10.238 ( 0.000 11.546 0.000) 11.546 10.245 ( 0.000 1.735 0.000) 1.735 10.341 ( 0.000 7.607 0.000) 7.607 10.812 ( 0.000 13.874 0.000) 13.874 11.100 ( 0.000 1.951 0.000) 1.951 11.471 ( 0.000 -1.126 0.000) 1.126 11.601 ( 0.000 -22.119 0.000) 22.119 11.780 ( 0.000 3.188 0.000) 3.188 12.588 ( 0.000 7.336 0.000) 7.336 12.987 ( 0.000 11.622 0.000) 11.622 13.040 ( 0.000 -8.506 0.000) 8.506 14.663 ( 0.000 2.186 0.000) 2.186 14.877 ( 0.000 0.328 0.000) 0.328 15.205 ( 0.000 -8.584 0.000) 8.584 ======================= Grid point 10 (7/140) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 19.603 20.890 0.000) 28.647 0.820 ( 20.377 19.660 0.000) 28.315 1.592 ( 35.199 40.759 0.000) 53.854 2.800 ( 7.262 -2.637 0.000) 7.726 2.830 ( 1.115 -7.515 0.000) 7.597 3.288 ( -2.337 -1.893 0.000) 3.008 3.529 ( -17.798 -3.583 0.000) 18.156 3.838 ( 0.424 -3.747 0.000) 3.771 3.961 ( 0.160 5.816 0.000) 5.818 3.976 ( 1.709 -2.842 0.000) 3.316 4.213 ( 3.743 3.172 0.000) 4.906 4.930 ( -1.029 -1.865 0.000) 2.130 5.254 ( 1.049 -12.590 0.000) 12.634 5.438 ( 12.530 -4.111 0.000) 13.187 5.539 ( -1.850 -10.401 0.000) 10.564 6.058 ( -2.552 -9.740 0.000) 10.069 6.167 ( -14.776 7.135 0.000) 16.408 6.332 ( -8.420 5.547 0.000) 10.083 6.366 ( -18.390 15.970 0.000) 24.356 6.575 ( -1.021 10.317 0.000) 10.368 6.951 ( -11.492 -3.244 0.000) 11.941 7.232 ( -6.088 1.449 0.000) 6.259 7.507 ( 13.987 -5.652 0.000) 15.086 7.578 ( 5.906 -14.245 0.000) 15.421 8.129 ( 4.545 10.091 0.000) 11.067 8.325 ( 7.824 -2.621 0.000) 8.251 8.343 ( 4.718 0.393 0.000) 4.735 8.364 ( 28.726 -21.958 0.000) 36.157 9.232 ( -3.908 5.675 0.000) 6.890 9.288 ( -10.563 1.095 0.000) 10.620 9.714 ( -2.710 -1.882 0.000) 3.299 9.881 ( 14.447 -25.021 0.000) 28.892 10.158 ( -2.373 -2.774 0.000) 3.651 10.172 ( -5.891 7.560 0.000) 9.584 10.218 ( 0.473 4.346 0.000) 4.372 10.263 ( 5.192 -0.037 0.000) 5.192 10.349 ( -0.132 6.282 0.000) 6.284 10.807 ( -0.105 12.689 0.000) 12.690 11.078 ( -2.419 1.527 0.000) 2.861 11.380 ( -8.340 6.418 0.000) 10.524 11.666 ( 5.964 -21.198 0.000) 22.021 11.775 ( 1.184 0.922 0.000) 1.500 12.599 ( 1.096 7.599 0.000) 7.678 13.024 ( 3.712 11.713 0.000) 12.287 13.044 ( -0.429 -7.919 0.000) 7.930 14.264 ( -24.926 25.584 0.000) 35.719 14.901 ( 2.744 -2.505 0.000) 3.716 15.204 ( -0.135 -8.402 0.000) 8.403 ======================= Grid point 11 (8/140) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 24.725 12.833 0.000) 27.857 1.275 ( 24.846 11.772 0.000) 27.494 2.340 ( 35.623 25.053 0.000) 43.551 2.860 ( 1.617 -7.576 0.000) 7.747 2.922 ( 5.720 1.604 0.000) 5.940 3.141 ( -20.738 0.549 0.000) 20.746 3.227 ( -3.644 -4.451 0.000) 5.753 3.920 ( 5.811 -4.408 0.000) 7.294 3.981 ( -0.669 -0.335 0.000) 0.748 3.988 ( 6.705 4.664 0.000) 8.168 4.309 ( 5.511 2.471 0.000) 6.040 4.906 ( -1.544 -2.755 0.000) 3.158 5.226 ( -3.714 -17.636 0.000) 18.022 5.498 ( -2.110 -7.352 0.000) 7.649 5.732 ( -17.214 4.197 0.000) 17.718 5.763 ( 9.256 -0.682 0.000) 9.281 6.048 ( -2.641 -9.108 0.000) 9.484 6.089 ( -13.353 5.721 0.000) 14.527 6.165 ( -5.633 4.281 0.000) 7.075 6.555 ( -0.809 11.693 0.000) 11.721 6.757 ( -8.388 -0.223 0.000) 8.391 7.063 ( -10.529 0.395 0.000) 10.537 7.729 ( 9.094 -13.720 0.000) 16.461 7.782 ( 13.284 -8.378 0.000) 15.706 8.253 ( 7.879 8.443 0.000) 11.548 8.466 ( 7.456 -0.142 0.000) 7.457 8.509 ( 10.073 0.103 0.000) 10.073 8.642 ( 5.123 -10.108 0.000) 11.332 9.096 ( -9.392 2.296 0.000) 9.669 9.147 ( -4.592 7.614 0.000) 8.892 9.648 ( -3.423 -3.487 0.000) 4.887 9.984 ( -6.099 2.798 0.000) 6.710 10.083 ( 0.391 -14.584 0.000) 14.590 10.089 ( -4.143 -1.111 0.000) 4.289 10.200 ( -1.296 -0.995 0.000) 1.635 10.310 ( -4.020 -1.484 0.000) 4.285 10.418 ( 8.880 3.227 0.000) 9.448 10.825 ( 2.201 10.966 0.000) 11.185 10.997 ( -5.962 1.760 0.000) 6.216 11.219 ( -7.048 11.731 0.000) 13.685 11.798 ( 6.746 -19.654 0.000) 20.780 11.830 ( 3.816 -4.646 0.000) 6.012 12.634 ( 2.678 7.444 0.000) 7.911 13.007 ( -3.362 -5.259 0.000) 6.242 13.127 ( 6.705 12.210 0.000) 13.930 13.894 ( -14.293 22.332 0.000) 26.514 14.973 ( 4.306 -3.766 0.000) 5.721 15.197 ( -0.635 -7.875 0.000) 7.901 ======================= Grid point 12 (9/140) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 24.306 8.204 0.000) 25.653 1.757 ( 24.000 7.403 0.000) 25.116 2.559 ( -10.289 9.058 0.000) 13.708 2.682 ( -21.234 2.222 0.000) 21.350 2.950 ( 2.786 -4.545 0.000) 5.331 3.118 ( -3.114 -6.066 0.000) 6.819 3.399 ( 36.105 12.600 0.000) 38.241 3.950 ( 0.539 2.096 0.000) 2.164 3.962 ( -1.062 0.807 0.000) 1.334 4.325 ( 22.532 -5.430 0.000) 23.177 4.386 ( 0.202 2.793 0.000) 2.800 4.871 ( -1.559 -2.596 0.000) 3.028 5.046 ( -18.094 -9.715 0.000) 20.537 5.258 ( -19.692 -1.938 0.000) 19.787 5.471 ( -0.284 -2.913 0.000) 2.926 5.710 ( -15.243 7.128 0.000) 16.827 6.021 ( 1.021 -9.082 0.000) 9.139 6.086 ( -2.987 -3.581 0.000) 4.663 6.180 ( 16.477 -5.491 0.000) 17.368 6.552 ( 0.754 12.606 0.000) 12.628 6.621 ( -5.846 2.271 0.000) 6.272 6.833 ( -12.821 0.715 0.000) 12.841 7.910 ( 8.750 -13.325 0.000) 15.941 7.992 ( 7.275 -11.409 0.000) 13.531 8.421 ( 8.930 5.880 0.000) 10.692 8.609 ( 6.548 -0.871 0.000) 6.605 8.629 ( -0.118 -2.105 0.000) 2.109 8.724 ( 5.470 1.982 0.000) 5.818 8.931 ( -6.375 3.093 0.000) 7.085 9.051 ( -5.332 8.890 0.000) 10.366 9.610 ( 0.144 -2.453 0.000) 2.457 9.814 ( -9.058 3.545 0.000) 9.727 10.019 ( -2.375 0.661 0.000) 2.466 10.077 ( -2.121 -1.410 0.000) 2.547 10.178 ( -0.834 -5.531 0.000) 5.594 10.216 ( -4.312 -11.321 0.000) 12.115 10.583 ( 7.841 4.069 0.000) 8.834 10.863 ( -7.162 3.550 0.000) 7.993 10.894 ( 4.664 9.838 0.000) 10.887 11.102 ( -5.404 10.465 0.000) 11.778 11.901 ( 2.974 -9.142 0.000) 9.614 11.903 ( 3.609 -17.163 0.000) 17.538 12.706 ( 4.657 5.269 0.000) 7.032 12.920 ( -5.275 -2.128 0.000) 5.688 13.278 ( 8.623 13.195 0.000) 15.763 13.657 ( -10.805 17.088 0.000) 20.217 15.058 ( 4.194 -4.912 0.000) 6.459 15.176 ( -1.670 -7.061 0.000) 7.256 ======================= Grid point 13 (10/140) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -0.036 1.795 0.000) 1.795 2.129 ( 0.036 1.795 0.000) 1.795 2.313 ( -2.536 10.670 0.000) 10.968 2.313 ( 2.536 10.670 0.000) 10.968 3.030 ( -4.700 -5.458 0.000) 7.203 3.030 ( 4.700 -5.458 0.000) 7.203 3.937 ( -2.918 1.354 0.000) 3.217 3.937 ( 2.918 1.354 0.000) 3.217 4.125 ( -27.846 9.085 0.000) 29.291 4.125 ( 27.846 9.085 0.000) 29.291 4.715 ( -13.571 -5.983 0.000) 14.831 4.715 ( 13.571 -5.983 0.000) 14.831 4.934 ( -12.591 -5.382 0.000) 13.693 4.934 ( 12.591 -5.382 0.000) 13.693 5.508 ( -5.064 3.056 0.000) 5.915 5.508 ( 5.064 3.056 0.000) 5.915 6.042 ( -1.596 -8.117 0.000) 8.273 6.042 ( 1.596 -8.117 0.000) 8.273 6.482 ( -11.687 -5.356 0.000) 12.855 6.482 ( 11.687 -5.356 0.000) 12.855 6.609 ( -6.954 10.885 0.000) 12.917 6.609 ( 6.954 10.885 0.000) 12.917 8.035 ( -2.948 -13.235 0.000) 13.559 8.035 ( 2.948 -13.235 0.000) 13.559 8.573 ( -5.622 1.594 0.000) 5.843 8.573 ( 5.622 1.594 0.000) 5.843 8.713 ( -4.601 0.749 0.000) 4.662 8.713 ( 4.601 0.749 0.000) 4.662 8.943 ( -5.419 7.649 0.000) 9.374 8.943 ( 5.419 7.649 0.000) 9.374 9.666 ( -5.580 0.211 0.000) 5.584 9.666 ( 5.580 0.211 0.000) 5.584 10.019 ( -2.408 3.418 0.000) 4.181 10.019 ( 2.408 3.418 0.000) 4.181 10.173 ( -0.538 -11.250 0.000) 11.263 10.173 ( 0.538 -11.250 0.000) 11.263 10.726 ( -7.024 4.263 0.000) 8.217 10.726 ( 7.024 4.263 0.000) 8.217 10.996 ( -5.520 9.532 0.000) 11.015 10.996 ( 5.520 9.532 0.000) 11.015 11.935 ( -0.259 -13.320 0.000) 13.323 11.935 ( 0.259 -13.320 0.000) 13.323 12.810 ( -5.754 1.479 0.000) 5.941 12.810 ( 5.754 1.479 0.000) 5.941 13.458 ( -9.701 14.579 0.000) 17.512 13.458 ( 9.701 14.579 0.000) 17.512 15.130 ( -3.051 -6.043 0.000) 6.769 15.130 ( 3.051 -6.043 0.000) 6.769 ======================= Grid point 18 (11/140) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 0.000 27.616 0.000) 27.616 1.178 ( 0.000 27.214 0.000) 27.214 2.298 ( 0.000 47.573 0.000) 47.573 2.558 ( 0.000 -9.440 0.000) 9.440 2.587 ( 0.000 -14.601 0.000) 14.601 3.346 ( 0.000 4.327 0.000) 4.327 3.649 ( 0.000 -4.447 0.000) 4.447 3.740 ( 0.000 -6.434 0.000) 6.434 3.776 ( 0.000 -7.774 0.000) 7.774 4.084 ( 0.000 4.334 0.000) 4.334 4.273 ( 0.000 5.744 0.000) 5.744 4.904 ( 0.000 -2.555 0.000) 2.555 4.974 ( 0.000 -17.283 0.000) 17.283 5.226 ( 0.000 -19.120 0.000) 19.120 5.291 ( 0.000 5.938 0.000) 5.938 5.865 ( 0.000 -10.318 0.000) 10.318 6.487 ( 0.000 5.399 0.000) 5.399 6.511 ( 0.000 5.080 0.000) 5.080 6.771 ( 0.000 7.839 0.000) 7.839 6.915 ( 0.000 1.011 0.000) 1.011 7.062 ( 0.000 -4.082 0.000) 4.082 7.230 ( 0.000 -0.858 0.000) 0.858 7.239 ( 0.000 -11.744 0.000) 11.744 7.359 ( 0.000 -1.216 0.000) 1.216 7.689 ( 0.000 6.737 0.000) 6.737 8.134 ( 0.000 -6.372 0.000) 6.372 8.260 ( 0.000 6.221 0.000) 6.221 8.319 ( 0.000 1.691 0.000) 1.691 9.336 ( 0.000 -6.600 0.000) 6.600 9.401 ( 0.000 7.015 0.000) 7.015 9.436 ( 0.000 -5.950 0.000) 5.950 9.735 ( 0.000 -1.267 0.000) 1.267 10.171 ( 0.000 -0.961 0.000) 0.961 10.172 ( 0.000 0.427 0.000) 0.427 10.311 ( 0.000 5.450 0.000) 5.450 10.461 ( 0.000 9.002 0.000) 9.002 10.511 ( 0.000 7.406 0.000) 7.406 11.157 ( 0.000 -20.023 0.000) 20.023 11.162 ( 0.000 3.939 0.000) 3.939 11.189 ( 0.000 21.197 0.000) 21.197 11.434 ( 0.000 -2.578 0.000) 2.578 11.895 ( 0.000 8.293 0.000) 8.293 12.471 ( 0.000 -13.536 0.000) 13.536 12.795 ( 0.000 -14.491 0.000) 14.491 13.448 ( 0.000 26.956 0.000) 26.956 14.723 ( 0.000 3.421 0.000) 3.421 14.877 ( 0.000 -0.469 0.000) 0.469 14.943 ( 0.000 -16.384 0.000) 16.384 ======================= Grid point 19 (12/140) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 11.896 24.281 0.000) 27.039 1.314 ( 12.780 25.535 0.000) 28.555 2.500 ( 19.518 39.175 0.000) 43.768 2.603 ( 1.670 -14.036 0.000) 14.135 2.669 ( 10.327 -6.347 0.000) 12.122 3.297 ( -4.829 3.568 0.000) 6.004 3.470 ( -13.225 -1.184 0.000) 13.278 3.729 ( -0.534 -6.512 0.000) 6.533 3.863 ( 4.145 -8.025 0.000) 9.033 4.087 ( 0.453 4.398 0.000) 4.421 4.302 ( 2.958 5.371 0.000) 6.132 4.885 ( -1.655 -2.498 0.000) 2.996 4.934 ( -2.994 -15.537 0.000) 15.823 5.236 ( 1.084 -17.516 0.000) 17.550 5.422 ( 11.779 1.954 0.000) 11.940 5.856 ( -0.973 -9.384 0.000) 9.435 6.321 ( -14.973 6.982 0.000) 16.520 6.436 ( -8.927 3.803 0.000) 9.703 6.610 ( -21.420 7.979 0.000) 22.858 6.770 ( -0.008 8.090 0.000) 8.090 6.882 ( -10.068 -3.192 0.000) 10.562 7.255 ( -4.787 0.698 0.000) 4.838 7.296 ( 5.589 -12.331 0.000) 13.538 7.382 ( 8.605 -5.405 0.000) 10.161 8.130 ( 26.880 -3.657 0.000) 27.128 8.259 ( 11.527 -3.660 0.000) 12.094 8.295 ( 3.481 5.804 0.000) 6.768 8.366 ( 4.505 1.685 0.000) 4.810 9.247 ( -6.748 -2.831 0.000) 7.318 9.380 ( -1.829 7.869 0.000) 8.079 9.508 ( 5.300 -12.445 0.000) 13.527 9.687 ( -4.165 -0.882 0.000) 4.257 10.090 ( -4.065 -2.668 0.000) 4.862 10.215 ( -1.328 -2.700 0.000) 3.009 10.364 ( -8.182 8.892 0.000) 12.084 10.373 ( 7.141 8.120 0.000) 10.814 10.501 ( -2.634 6.207 0.000) 6.742 11.071 ( -2.929 1.617 0.000) 3.346 11.133 ( -2.921 3.873 0.000) 4.851 11.340 ( 9.239 0.227 0.000) 9.241 11.417 ( -1.691 -1.319 0.000) 2.145 11.874 ( -1.818 8.585 0.000) 8.775 12.488 ( 1.706 -13.325 0.000) 13.434 12.801 ( 0.264 -14.629 0.000) 14.632 13.479 ( 3.229 26.662 0.000) 26.857 14.600 ( -12.441 9.784 0.000) 15.828 14.857 ( -0.002 -1.753 0.000) 1.753 14.948 ( 0.461 -16.005 0.000) 16.012 ======================= Grid point 20 (13/140) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 18.160 17.924 0.000) 25.516 1.627 ( 18.305 21.167 0.000) 27.985 2.649 ( 2.787 -12.394 0.000) 12.704 2.858 ( 8.955 -9.721 0.000) 13.217 2.944 ( 11.835 27.268 0.000) 29.726 3.189 ( -14.872 4.898 0.000) 15.658 3.232 ( 8.248 9.632 0.000) 12.680 3.756 ( 3.856 -9.658 0.000) 10.399 3.909 ( 0.798 -7.830 0.000) 7.870 4.121 ( 4.074 5.330 0.000) 6.709 4.379 ( 4.447 4.186 0.000) 6.107 4.850 ( -1.663 -2.251 0.000) 2.798 4.871 ( -3.816 -14.717 0.000) 15.204 5.272 ( 2.691 -13.783 0.000) 14.044 5.696 ( 15.202 -2.514 0.000) 15.409 5.808 ( -7.795 -3.259 0.000) 8.448 5.961 ( -17.095 4.578 0.000) 17.698 6.182 ( -16.173 2.259 0.000) 16.330 6.265 ( -13.885 5.282 0.000) 14.856 6.706 ( -8.515 -5.150 0.000) 9.952 6.776 ( 0.768 9.492 0.000) 9.523 7.113 ( -7.953 4.550 0.000) 9.163 7.441 ( 8.740 -13.535 0.000) 16.111 7.578 ( 9.580 -9.963 0.000) 13.822 8.389 ( 5.853 4.729 0.000) 7.524 8.480 ( 6.750 1.238 0.000) 6.863 8.513 ( 10.997 -0.409 0.000) 11.005 8.519 ( 14.853 -1.620 0.000) 14.941 9.104 ( -7.407 -0.100 0.000) 7.408 9.340 ( -2.304 10.000 0.000) 10.262 9.606 ( -3.190 -0.274 0.000) 3.202 9.629 ( 7.075 -18.514 0.000) 19.820 10.008 ( -4.121 -4.933 0.000) 6.428 10.151 ( -4.580 -4.565 0.000) 6.466 10.166 ( -11.657 8.171 0.000) 14.235 10.396 ( -7.964 3.640 0.000) 8.756 10.541 ( 9.047 7.997 0.000) 12.075 11.054 ( -4.878 4.497 0.000) 6.635 11.056 ( 1.227 5.414 0.000) 5.552 11.369 ( -3.262 1.796 0.000) 3.724 11.517 ( 8.547 -2.371 0.000) 8.869 11.839 ( -1.595 6.755 0.000) 6.940 12.533 ( 2.843 -12.889 0.000) 13.198 12.790 ( -1.553 -14.344 0.000) 14.428 13.571 ( 5.996 25.739 0.000) 26.429 14.324 ( -14.105 17.063 0.000) 22.139 14.881 ( 1.921 -4.852 0.000) 5.218 14.958 ( 0.503 -14.902 0.000) 14.910 ======================= Grid point 21 (14/140) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 18.766 11.903 0.000) 22.223 1.991 ( 17.943 15.038 0.000) 23.411 2.680 ( -1.857 -5.687 0.000) 5.983 2.801 ( -13.638 12.893 0.000) 18.768 2.931 ( -9.023 6.822 0.000) 11.312 2.947 ( -0.587 -9.500 0.000) 9.519 3.742 ( 28.850 16.420 0.000) 33.195 3.854 ( 7.351 -9.867 0.000) 12.304 3.906 ( -0.862 -8.232 0.000) 8.277 4.294 ( 13.710 2.751 0.000) 13.984 4.450 ( 1.719 3.114 0.000) 3.557 4.762 ( -8.123 -12.146 0.000) 14.612 4.830 ( 0.160 -0.575 0.000) 0.597 5.350 ( 5.685 -8.975 0.000) 10.623 5.380 ( -27.058 9.449 0.000) 28.660 5.797 ( -14.525 1.182 0.000) 14.573 5.881 ( 0.074 -3.763 0.000) 3.764 6.034 ( 12.974 -8.159 0.000) 15.327 6.051 ( -8.421 0.933 0.000) 8.472 6.530 ( -9.996 -8.979 0.000) 13.436 6.804 ( 2.190 11.609 0.000) 11.814 6.969 ( -6.480 10.259 0.000) 12.134 7.614 ( 8.316 -14.567 0.000) 16.774 7.721 ( 4.453 -13.442 0.000) 14.161 8.507 ( 5.833 2.910 0.000) 6.519 8.610 ( 6.285 0.442 0.000) 6.300 8.617 ( 1.131 1.043 0.000) 1.538 8.757 ( 6.286 0.208 0.000) 6.289 9.002 ( -0.012 4.968 0.000) 4.968 9.274 ( -5.040 11.790 0.000) 12.822 9.597 ( 2.718 1.415 0.000) 3.064 9.775 ( 7.547 -17.745 0.000) 19.284 9.928 ( -12.222 6.624 0.000) 13.902 9.953 ( -0.774 -6.111 0.000) 6.159 10.051 ( -5.353 -7.207 0.000) 8.978 10.210 ( -10.312 0.780 0.000) 10.341 10.706 ( 7.642 7.614 0.000) 10.788 10.952 ( -5.523 5.901 0.000) 8.082 11.109 ( 3.942 6.713 0.000) 7.785 11.292 ( -4.496 4.634 0.000) 6.457 11.662 ( 6.157 -2.593 0.000) 6.681 11.807 ( -1.889 2.772 0.000) 3.355 12.596 ( 3.558 -12.682 0.000) 13.171 12.741 ( -3.300 -13.632 0.000) 14.026 13.708 ( 7.914 24.236 0.000) 25.495 14.076 ( -11.335 20.281 0.000) 23.234 14.921 ( 1.966 -8.052 0.000) 8.289 14.963 ( -0.088 -13.159 0.000) 13.160 ======================= Grid point 22 (15/140) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -0.839 7.123 0.000) 7.173 2.224 ( 0.839 7.123 0.000) 7.173 2.585 ( -1.522 13.459 0.000) 13.545 2.585 ( 1.522 13.459 0.000) 13.545 2.902 ( -2.781 -4.667 0.000) 5.433 2.902 ( 2.781 -4.667 0.000) 5.433 3.881 ( -1.690 -9.687 0.000) 9.833 3.881 ( 1.690 -9.687 0.000) 9.833 4.318 ( -19.887 8.199 0.000) 21.511 4.318 ( 19.887 8.199 0.000) 21.511 4.562 ( -11.296 -5.163 0.000) 12.420 4.562 ( 11.296 -5.163 0.000) 12.420 4.936 ( -14.351 5.411 0.000) 15.338 4.936 ( 14.351 5.411 0.000) 15.338 5.514 ( -11.750 -3.058 0.000) 12.141 5.514 ( 11.750 -3.058 0.000) 12.141 5.928 ( -4.343 -2.259 0.000) 4.895 5.928 ( 4.343 -2.259 0.000) 4.895 6.305 ( -13.072 -10.124 0.000) 16.534 6.305 ( 13.072 -10.124 0.000) 16.534 6.865 ( -4.166 12.776 0.000) 13.438 6.865 ( 4.166 12.776 0.000) 13.438 7.734 ( -3.213 -14.912 0.000) 15.254 7.734 ( 3.213 -14.912 0.000) 15.254 8.596 ( -2.914 1.459 0.000) 3.259 8.596 ( 2.914 1.459 0.000) 3.259 8.724 ( -5.447 -0.387 0.000) 5.461 8.724 ( 5.447 -0.387 0.000) 5.461 9.134 ( -9.002 10.417 0.000) 13.768 9.134 ( 9.002 10.417 0.000) 13.768 9.713 ( -8.944 4.113 0.000) 9.844 9.713 ( 8.944 4.113 0.000) 9.844 9.913 ( -6.080 -13.113 0.000) 14.454 9.913 ( 6.080 -13.113 0.000) 14.454 10.034 ( -6.378 -2.320 0.000) 6.787 10.034 ( 6.378 -2.320 0.000) 6.787 10.839 ( -6.155 7.033 0.000) 9.346 10.839 ( 6.155 7.033 0.000) 9.346 11.198 ( -4.957 6.285 0.000) 8.005 11.198 ( 4.957 6.285 0.000) 8.005 11.756 ( -3.565 -0.771 0.000) 3.647 11.756 ( 3.565 -0.771 0.000) 3.647 12.670 ( -3.876 -12.974 0.000) 13.541 12.670 ( 3.876 -12.974 0.000) 13.541 13.876 ( -9.344 22.372 0.000) 24.245 13.876 ( 9.344 22.372 0.000) 24.245 14.952 ( -1.111 -10.863 0.000) 10.920 14.952 ( 1.111 -10.863 0.000) 10.920 ======================= Grid point 27 (16/140) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 0.000 24.703 0.000) 24.703 1.727 ( 0.000 25.472 0.000) 25.472 2.193 ( 0.000 -20.037 0.000) 20.037 2.215 ( 0.000 -20.914 0.000) 20.914 3.243 ( 0.000 33.165 0.000) 33.165 3.518 ( 0.000 15.454 0.000) 15.454 3.580 ( 0.000 -9.006 0.000) 9.006 3.592 ( 0.000 -0.524 0.000) 0.524 3.637 ( 0.000 -4.808 0.000) 4.808 3.997 ( 0.000 -16.816 0.000) 16.816 4.421 ( 0.000 8.815 0.000) 8.815 4.651 ( 0.000 -13.336 0.000) 13.336 4.848 ( 0.000 -2.156 0.000) 2.156 4.888 ( 0.000 -9.102 0.000) 9.102 5.448 ( 0.000 8.908 0.000) 8.908 5.650 ( 0.000 -10.205 0.000) 10.205 6.567 ( 0.000 2.383 0.000) 2.383 6.582 ( 0.000 1.290 0.000) 1.290 6.911 ( 0.000 5.817 0.000) 5.817 6.943 ( 0.000 1.733 0.000) 1.733 6.990 ( 0.000 -2.798 0.000) 2.798 7.040 ( 0.000 -7.375 0.000) 7.375 7.243 ( 0.000 2.154 0.000) 2.154 7.307 ( 0.000 -3.384 0.000) 3.384 7.835 ( 0.000 7.272 0.000) 7.272 7.989 ( 0.000 -7.333 0.000) 7.333 8.344 ( 0.000 1.986 0.000) 1.986 8.352 ( 0.000 0.994 0.000) 0.994 9.269 ( 0.000 0.077 0.000) 0.077 9.322 ( 0.000 -4.504 0.000) 4.504 9.551 ( 0.000 6.991 0.000) 6.991 9.675 ( 0.000 -4.556 0.000) 4.556 10.162 ( 0.000 0.118 0.000) 0.118 10.170 ( 0.000 -0.454 0.000) 0.454 10.487 ( 0.000 11.329 0.000) 11.329 10.596 ( 0.000 3.801 0.000) 3.801 10.614 ( 0.000 2.137 0.000) 2.137 10.777 ( 0.000 -16.270 0.000) 16.270 11.259 ( 0.000 5.099 0.000) 5.099 11.361 ( 0.000 -4.389 0.000) 4.389 11.657 ( 0.000 22.832 0.000) 22.832 12.111 ( 0.000 -20.146 0.000) 20.146 12.133 ( 0.000 14.219 0.000) 14.219 12.463 ( 0.000 -16.656 0.000) 16.656 14.015 ( 0.000 26.597 0.000) 26.597 14.533 ( 0.000 -22.639 0.000) 22.639 14.795 ( 0.000 3.273 0.000) 3.273 14.852 ( 0.000 -2.014 0.000) 2.014 ======================= Grid point 28 (17/140) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 6.986 23.501 0.000) 24.518 1.839 ( 10.963 24.317 0.000) 26.674 2.251 ( 3.629 -19.602 0.000) 19.935 2.307 ( 10.575 -19.973 0.000) 22.600 3.341 ( 8.712 23.069 0.000) 24.659 3.461 ( -4.107 17.008 0.000) 17.496 3.507 ( -6.390 4.991 0.000) 8.108 3.587 ( 0.316 -3.447 0.000) 3.462 3.667 ( 0.820 -9.628 0.000) 9.663 4.012 ( 2.156 -15.392 0.000) 15.542 4.441 ( 1.831 8.083 0.000) 8.288 4.647 ( -0.408 -11.832 0.000) 11.839 4.838 ( -0.515 -0.899 0.000) 1.036 4.916 ( 2.440 -9.898 0.000) 10.194 5.512 ( 6.235 6.333 0.000) 8.888 5.669 ( 1.913 -8.436 0.000) 8.650 6.438 ( -12.808 3.911 0.000) 13.392 6.479 ( -10.655 0.085 0.000) 10.656 6.734 ( -17.946 4.548 0.000) 18.513 6.815 ( -12.661 -3.399 0.000) 13.110 6.920 ( 1.234 6.732 0.000) 6.845 7.076 ( 3.659 -8.761 0.000) 9.494 7.267 ( -0.899 0.737 0.000) 1.162 7.299 ( 3.278 -2.573 0.000) 4.167 8.121 ( 21.643 1.791 0.000) 21.717 8.181 ( 16.562 -3.633 0.000) 16.955 8.377 ( 3.316 2.300 0.000) 4.035 8.395 ( 4.035 0.554 0.000) 4.073 9.226 ( -3.916 1.479 0.000) 4.186 9.313 ( -0.877 -6.715 0.000) 6.772 9.538 ( -1.034 6.853 0.000) 6.930 9.649 ( -2.262 -3.469 0.000) 4.141 10.076 ( -6.178 1.664 0.000) 6.398 10.143 ( -4.232 -3.944 0.000) 5.785 10.514 ( -7.537 5.179 0.000) 9.145 10.569 ( -5.321 0.132 0.000) 5.323 10.569 ( 7.279 10.862 0.000) 13.076 10.830 ( 4.965 -14.110 0.000) 14.958 11.237 ( -2.133 5.737 0.000) 6.121 11.351 ( -1.075 -4.712 0.000) 4.834 11.688 ( 3.024 21.842 0.000) 22.051 12.123 ( -1.039 14.832 0.000) 14.869 12.132 ( 2.065 -19.928 0.000) 20.034 12.463 ( -0.140 -17.033 0.000) 17.033 14.039 ( 2.449 26.160 0.000) 26.275 14.547 ( 1.418 -22.141 0.000) 22.187 14.744 ( -5.569 4.785 0.000) 7.343 14.817 ( -2.597 -2.463 0.000) 3.579 ======================= Grid point 29 (18/140) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 11.700 18.651 0.000) 22.017 2.094 ( 13.881 22.659 0.000) 26.573 2.350 ( 6.346 -16.118 0.000) 17.322 2.538 ( 11.144 -19.192 0.000) 22.192 3.296 ( -8.491 11.205 0.000) 14.059 3.365 ( -7.970 11.887 0.000) 14.312 3.517 ( -0.077 -8.522 0.000) 8.522 3.657 ( -1.748 -14.811 0.000) 14.913 3.719 ( 18.224 24.139 0.000) 30.246 4.109 ( 8.252 -9.208 0.000) 12.364 4.484 ( 2.331 5.998 0.000) 6.435 4.634 ( -1.068 -8.649 0.000) 8.715 4.838 ( 0.684 2.150 0.000) 2.256 4.982 ( 4.519 -11.808 0.000) 12.643 5.673 ( 9.614 0.672 0.000) 9.637 5.721 ( 3.197 -3.646 0.000) 4.849 6.095 ( -21.310 6.019 0.000) 22.144 6.182 ( -18.945 -2.151 0.000) 19.066 6.395 ( -15.604 7.269 0.000) 17.214 6.560 ( -12.927 -8.096 0.000) 15.253 6.965 ( 3.433 9.189 0.000) 9.810 7.178 ( 6.593 -11.428 0.000) 13.194 7.236 ( -1.446 6.818 0.000) 6.970 7.390 ( 4.564 -8.046 0.000) 9.250 8.463 ( 5.152 2.588 0.000) 5.765 8.494 ( 5.774 -0.290 0.000) 5.781 8.505 ( 15.435 0.581 0.000) 15.446 8.518 ( 15.871 -0.292 0.000) 15.874 9.143 ( -3.555 4.643 0.000) 5.847 9.313 ( 2.119 -11.717 0.000) 11.907 9.527 ( 0.204 7.152 0.000) 7.155 9.612 ( -0.826 -0.754 0.000) 1.119 9.942 ( -7.248 0.102 0.000) 7.248 10.026 ( -7.310 -6.466 0.000) 9.759 10.320 ( -11.976 6.133 0.000) 13.455 10.410 ( -10.664 -2.182 0.000) 10.885 10.729 ( 8.466 9.871 0.000) 13.004 10.946 ( 6.398 -10.439 0.000) 12.244 11.181 ( -3.475 7.030 0.000) 7.842 11.318 ( -2.341 -5.396 0.000) 5.882 11.765 ( 4.630 19.624 0.000) 20.162 12.090 ( -2.390 15.783 0.000) 15.963 12.186 ( 3.297 -19.397 0.000) 19.675 12.448 ( -1.592 -17.650 0.000) 17.721 14.107 ( 4.384 24.834 0.000) 25.218 14.585 ( 2.348 -20.676 0.000) 20.809 14.602 ( -8.076 10.109 0.000) 12.939 14.768 ( -2.408 -6.287 0.000) 6.732 ======================= Grid point 30 (19/140) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 12.418 12.838 0.000) 17.861 2.336 ( 9.701 17.185 0.000) 19.734 2.485 ( 7.047 -11.469 0.000) 13.461 2.674 ( 1.631 -14.585 0.000) 14.676 3.133 ( -6.752 16.771 0.000) 18.079 3.206 ( -7.886 17.653 0.000) 19.335 3.501 ( 0.115 -17.893 0.000) 17.894 3.605 ( -3.408 -18.877 0.000) 19.182 4.136 ( 21.309 14.867 0.000) 25.983 4.320 ( 12.068 -2.678 0.000) 12.362 4.516 ( 0.424 3.331 0.000) 3.358 4.596 ( -3.090 -4.813 0.000) 5.719 4.887 ( 5.616 6.976 0.000) 8.955 5.111 ( 9.435 -12.841 0.000) 15.934 5.590 ( -23.508 10.054 0.000) 25.568 5.769 ( -20.467 -5.265 0.000) 21.133 5.839 ( 2.352 -0.332 0.000) 2.376 5.883 ( 10.482 -4.477 0.000) 11.398 6.135 ( -11.169 6.902 0.000) 13.130 6.320 ( -11.727 -10.208 0.000) 15.548 7.048 ( 4.754 12.079 0.000) 12.981 7.202 ( -2.352 11.671 0.000) 11.906 7.316 ( 7.026 -13.715 0.000) 15.410 7.452 ( 1.273 -12.359 0.000) 12.425 8.563 ( 4.769 2.486 0.000) 5.379 8.604 ( 5.203 -1.227 0.000) 5.346 8.663 ( 1.938 2.993 0.000) 3.565 8.726 ( 3.118 -2.724 0.000) 4.140 9.163 ( 7.423 10.453 0.000) 12.821 9.430 ( 9.509 -14.931 0.000) 17.702 9.520 ( -2.999 11.077 0.000) 11.476 9.647 ( 4.905 1.318 0.000) 5.079 9.820 ( -5.108 -4.696 0.000) 6.939 9.879 ( -5.580 -8.072 0.000) 9.813 10.065 ( -13.506 6.197 0.000) 14.860 10.174 ( -12.843 -3.881 0.000) 13.417 10.884 ( 7.203 9.115 0.000) 11.617 11.068 ( 5.979 -7.756 0.000) 9.793 11.104 ( -4.393 8.078 0.000) 9.195 11.259 ( -3.659 -5.973 0.000) 7.005 11.859 ( 4.867 17.587 0.000) 18.248 12.030 ( -3.646 16.216 0.000) 16.621 12.256 ( 3.794 -18.822 0.000) 19.201 12.401 ( -3.144 -18.065 0.000) 18.337 14.205 ( 5.528 22.624 0.000) 23.289 14.450 ( -7.249 15.423 0.000) 17.041 14.633 ( 2.545 -18.320 0.000) 18.496 14.723 ( -2.161 -11.030 0.000) 11.240 ======================= Grid point 31 (20/140) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -3.715 9.996 0.000) 10.664 2.409 ( 3.715 9.996 0.000) 10.664 2.613 ( -5.986 -8.507 0.000) 10.402 2.613 ( 5.986 -8.507 0.000) 10.402 3.089 ( -2.751 20.003 0.000) 20.192 3.089 ( 2.751 20.003 0.000) 20.192 3.536 ( -3.182 -20.998 0.000) 21.238 3.536 ( 3.182 -20.998 0.000) 21.238 4.448 ( -9.432 4.353 0.000) 10.388 4.448 ( 9.432 4.353 0.000) 10.388 4.508 ( -6.167 -1.771 0.000) 6.416 4.508 ( 6.167 -1.771 0.000) 6.416 5.131 ( -20.109 12.044 0.000) 23.440 5.131 ( 20.109 12.044 0.000) 23.440 5.375 ( -17.741 -10.013 0.000) 20.372 5.375 ( 17.741 -10.013 0.000) 20.372 5.953 ( -7.656 4.450 0.000) 8.856 5.953 ( 7.656 4.450 0.000) 8.856 6.098 ( -11.153 -9.009 0.000) 14.337 6.098 ( 11.153 -9.009 0.000) 14.337 7.138 ( -4.184 13.442 0.000) 14.079 7.138 ( 4.184 13.442 0.000) 14.079 7.428 ( -3.794 -14.331 0.000) 14.825 7.428 ( 3.794 -14.331 0.000) 14.825 8.641 ( -3.045 2.645 0.000) 4.034 8.641 ( 3.045 2.645 0.000) 4.034 8.695 ( -4.033 -2.242 0.000) 4.615 8.695 ( 4.033 -2.242 0.000) 4.615 9.370 ( -11.077 12.164 0.000) 16.452 9.370 ( 11.077 12.164 0.000) 16.452 9.637 ( -10.329 -13.223 0.000) 16.780 9.637 ( 10.329 -13.223 0.000) 16.780 9.821 ( -10.643 5.816 0.000) 12.129 9.821 ( 10.643 5.816 0.000) 12.129 9.943 ( -9.597 -5.633 0.000) 11.128 9.943 ( 9.597 -5.633 0.000) 11.128 11.008 ( -5.566 8.655 0.000) 10.290 11.008 ( 5.566 8.655 0.000) 10.290 11.175 ( -4.933 -6.500 0.000) 8.160 11.175 ( 4.933 -6.500 0.000) 8.160 11.951 ( -4.449 16.537 0.000) 17.125 11.951 ( 4.449 16.537 0.000) 17.125 12.331 ( -3.825 -18.390 0.000) 18.784 12.331 ( 3.825 -18.390 0.000) 18.784 14.319 ( -6.250 19.535 0.000) 20.511 14.319 ( 6.250 19.535 0.000) 20.511 14.681 ( -2.278 -15.118 0.000) 15.288 14.681 ( 2.278 -15.118 0.000) 15.288 ======================= Grid point 63 (21/140) ======================= q-point: ( 0.00 0.00 0.08) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 0.000 0.000 28.024) 28.024 0.573 ( 0.000 0.000 29.473) 29.473 0.926 ( 0.000 0.000 47.364) 47.364 2.772 ( 0.000 0.000 2.252) 2.252 2.981 ( 0.000 0.000 8.110) 8.110 3.404 ( 0.000 0.000 7.906) 7.906 3.692 ( 0.000 0.000 -11.400) 11.400 3.834 ( 0.000 0.000 3.008) 3.008 3.949 ( 0.000 0.000 5.898) 5.898 4.186 ( 0.000 0.000 11.446) 11.446 5.036 ( 0.000 0.000 6.764) 6.764 5.134 ( 0.000 0.000 -4.591) 4.591 5.320 ( 0.000 0.000 -15.510) 15.510 5.425 ( 0.000 0.000 2.859) 2.859 5.817 ( 0.000 0.000 6.460) 6.460 6.106 ( 0.000 0.000 -9.030) 9.030 6.119 ( 0.000 0.000 3.390) 3.390 6.212 ( 0.000 0.000 -3.340) 3.340 6.447 ( 0.000 0.000 0.619) 0.619 6.753 ( 0.000 0.000 -0.204) 0.204 6.880 ( 0.000 0.000 -1.602) 1.602 7.258 ( 0.000 0.000 -2.201) 2.201 7.261 ( 0.000 0.000 -0.283) 0.283 7.293 ( 0.000 0.000 0.806) 0.806 7.870 ( 0.000 0.000 2.353) 2.353 8.220 ( 0.000 0.000 -3.456) 3.456 8.344 ( 0.000 0.000 2.269) 2.269 8.657 ( 0.000 0.000 -3.631) 3.631 8.821 ( 0.000 0.000 -12.003) 12.003 9.165 ( 0.000 0.000 -5.008) 5.008 9.697 ( 0.000 0.000 6.237) 6.237 10.032 ( 0.000 0.000 -3.755) 3.755 10.103 ( 0.000 0.000 -4.591) 4.591 10.159 ( 0.000 0.000 -4.200) 4.200 10.181 ( 0.000 0.000 -3.756) 3.756 10.336 ( 0.000 0.000 6.211) 6.211 10.636 ( 0.000 0.000 -1.514) 1.514 10.961 ( 0.000 0.000 5.163) 5.163 11.047 ( 0.000 0.000 -3.325) 3.325 11.494 ( 0.000 0.000 0.913) 0.913 11.730 ( 0.000 0.000 -15.260) 15.260 11.774 ( 0.000 0.000 2.575) 2.575 12.323 ( 0.000 0.000 0.782) 0.782 12.481 ( 0.000 0.000 -2.616) 2.616 13.240 ( 0.000 0.000 9.165) 9.165 14.182 ( 0.000 0.000 5.356) 5.356 14.669 ( 0.000 0.000 2.951) 2.951 15.251 ( 0.000 0.000 -4.482) 4.482 ======================= Grid point 64 (22/140) ======================= q-point: ( 0.12 0.00 0.08) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 18.252 0.000 13.328) 22.600 0.785 ( 20.677 0.000 19.136) 28.173 1.502 ( 40.695 0.000 33.860) 52.939 2.821 ( 4.543 0.000 0.604) 4.583 3.000 ( 1.224 0.000 8.142) 8.233 3.393 ( -0.955 0.000 7.908) 7.965 3.508 ( -16.191 0.000 -5.989) 17.263 3.868 ( 1.648 0.000 0.379) 1.691 3.939 ( 0.102 0.000 6.035) 6.035 4.119 ( -5.100 0.000 8.698) 10.083 4.733 ( -24.728 0.000 28.748) 37.920 5.082 ( -3.357 0.000 14.263) 14.653 5.243 ( 5.226 0.000 -12.262) 13.330 5.407 ( 12.247 0.000 -7.200) 14.207 5.780 ( -3.661 0.000 6.267) 7.258 6.063 ( -13.731 0.000 -0.589) 13.743 6.124 ( -1.393 0.000 -8.744) 8.854 6.128 ( 0.943 0.000 3.499) 3.624 6.267 ( -12.094 0.000 0.735) 12.117 6.414 ( -3.091 0.000 0.638) 3.157 6.966 ( -12.763 0.000 -2.620) 13.029 7.204 ( -5.696 0.000 -0.446) 5.714 7.406 ( 17.079 0.000 -13.299) 21.647 7.789 ( 16.426 0.000 -3.081) 16.713 7.899 ( 3.532 0.000 -1.817) 3.972 8.309 ( 7.177 0.000 -0.725) 7.214 8.400 ( 6.195 0.000 2.359) 6.629 8.809 ( -1.167 0.000 -10.833) 10.896 8.849 ( 8.596 0.000 -17.217) 19.244 9.124 ( -4.541 0.000 -3.888) 5.978 9.697 ( 0.019 0.000 2.206) 2.206 10.001 ( -3.190 0.000 -3.618) 4.824 10.089 ( -1.530 0.000 -5.070) 5.296 10.131 ( -2.801 0.000 -3.311) 4.337 10.215 ( 3.882 0.000 -4.051) 5.611 10.323 ( -1.170 0.000 5.964) 6.078 10.632 ( 0.113 0.000 -1.990) 1.993 10.878 ( -7.821 0.000 5.161) 9.370 11.024 ( -3.047 0.000 -1.947) 3.616 11.219 ( -10.729 0.000 9.192) 14.128 11.828 ( 5.006 0.000 2.392) 5.548 11.912 ( 10.001 0.000 -12.208) 15.781 12.313 ( -0.968 0.000 0.810) 1.262 12.611 ( 6.240 0.000 -13.534) 14.903 13.319 ( 4.647 0.000 9.819) 10.863 13.962 ( -12.375 0.000 16.643) 20.740 14.829 ( 8.319 0.000 -5.562) 10.007 15.249 ( -0.279 0.000 -4.441) 4.450 ======================= Grid point 65 (23/140) ======================= q-point: ( 0.25 0.00 0.08) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 28.815 0.000 -0.345) 28.817 1.242 ( 24.911 0.000 11.472) 27.425 2.292 ( 35.491 0.000 21.275) 41.379 2.921 ( 6.205 0.000 1.336) 6.347 3.005 ( 0.396 0.000 6.339) 6.351 3.125 ( -21.951 0.000 -1.156) 21.981 3.359 ( -3.099 0.000 7.668) 8.270 3.889 ( 0.752 0.000 -0.108) 0.759 4.028 ( -4.056 0.000 4.533) 6.083 4.029 ( 10.789 0.000 4.624) 11.738 4.513 ( -2.035 0.000 18.117) 18.231 5.034 ( -2.654 0.000 9.580) 9.941 5.298 ( 2.088 0.000 -12.133) 12.311 5.668 ( -24.440 0.000 3.116) 24.637 5.674 ( -4.277 0.000 2.928) 5.183 5.751 ( 17.027 0.000 -3.338) 17.351 5.956 ( -17.235 0.000 -2.550) 17.423 6.157 ( 2.144 0.000 3.828) 4.388 6.182 ( 2.232 0.000 -6.189) 6.579 6.344 ( -3.592 0.000 0.888) 3.700 6.732 ( -11.304 0.000 -2.076) 11.493 7.050 ( -9.746 0.000 -1.423) 9.849 7.721 ( 15.653 0.000 -11.034) 19.151 8.007 ( 8.872 0.000 1.799) 9.053 8.011 ( 7.617 0.000 -6.951) 10.312 8.429 ( 4.460 0.000 -4.136) 6.083 8.583 ( 11.131 0.000 6.045) 12.667 8.788 ( -0.317 0.000 -5.411) 5.420 8.892 ( -2.385 0.000 -12.966) 13.183 8.993 ( -8.246 0.000 -3.355) 8.902 9.681 ( -1.528 0.000 0.094) 1.531 9.913 ( -5.571 0.000 -2.292) 6.024 10.037 ( -4.076 0.000 -6.790) 7.920 10.062 ( -3.771 0.000 -0.444) 3.797 10.301 ( -0.772 0.000 5.183) 5.240 10.329 ( 7.155 0.000 -5.246) 8.872 10.648 ( 1.340 0.000 -3.597) 3.839 10.690 ( -10.609 0.000 4.908) 11.689 10.936 ( -4.664 0.000 1.133) 4.800 11.103 ( -3.683 0.000 5.671) 6.762 11.943 ( 6.288 0.000 1.991) 6.596 12.127 ( 11.987 0.000 -10.345) 15.834 12.284 ( -2.012 0.000 0.893) 2.201 12.683 ( 1.524 0.000 -14.428) 14.509 13.376 ( 1.666 0.000 14.267) 14.364 13.763 ( -8.712 0.000 14.064) 16.544 14.963 ( 6.045 0.000 -4.506) 7.539 15.238 ( -0.923 0.000 -4.316) 4.413 ======================= Grid point 66 (24/140) ======================= q-point: ( 0.38 0.00 0.08) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 27.441 0.000 -0.761) 27.452 1.731 ( 25.023 0.000 7.408) 26.097 2.512 ( -11.004 0.000 5.042) 12.104 2.679 ( -23.528 0.000 2.120) 23.624 3.035 ( 4.731 0.000 2.209) 5.221 3.243 ( -1.406 0.000 5.772) 5.941 3.399 ( 31.894 0.000 13.073) 34.469 3.903 ( 0.757 0.000 -0.203) 0.784 3.962 ( -2.650 0.000 1.829) 3.220 4.308 ( 11.280 0.000 1.026) 11.326 4.535 ( 4.199 0.000 8.412) 9.402 4.971 ( -4.703 0.000 6.462) 7.992 5.180 ( -20.966 0.000 9.555) 23.041 5.349 ( 3.316 0.000 -7.026) 7.769 5.550 ( -6.601 0.000 2.117) 6.932 5.560 ( -22.165 0.000 2.498) 22.305 6.057 ( 10.428 0.000 -5.827) 11.945 6.210 ( 1.092 0.000 0.844) 1.381 6.251 ( 4.746 0.000 -5.484) 7.252 6.323 ( 5.653 0.000 3.025) 6.411 6.529 ( -9.455 0.000 -2.688) 9.829 6.832 ( -12.588 0.000 -2.065) 12.756 8.007 ( 13.097 0.000 -7.018) 14.858 8.161 ( 6.267 0.000 0.883) 6.329 8.177 ( 8.876 0.000 -10.707) 13.908 8.449 ( -2.793 0.000 -12.066) 12.385 8.778 ( 7.819 0.000 8.754) 11.738 8.800 ( -5.984 0.000 -8.633) 10.505 8.823 ( 3.662 0.000 4.807) 6.043 8.835 ( -7.087 0.000 -7.576) 10.374 9.662 ( 0.177 0.000 1.001) 1.017 9.797 ( -5.865 0.000 -0.352) 5.876 9.952 ( -3.587 0.000 -4.894) 6.068 9.987 ( -3.919 0.000 -1.102) 4.071 10.303 ( 1.271 0.000 4.204) 4.392 10.469 ( 6.746 0.000 -5.886) 8.953 10.494 ( -8.876 0.000 4.186) 9.813 10.657 ( -1.483 0.000 -6.261) 6.434 10.886 ( 0.361 0.000 3.735) 3.753 11.028 ( -4.205 0.000 4.226) 5.962 12.061 ( 5.647 0.000 1.582) 5.864 12.234 ( -3.176 0.000 1.038) 3.341 12.362 ( 11.599 0.000 -10.235) 15.468 12.670 ( -3.052 0.000 -13.334) 13.679 13.411 ( 2.518 0.000 15.334) 15.539 13.608 ( -7.246 0.000 12.211) 14.199 15.071 ( 5.007 0.000 -3.893) 6.343 15.210 ( -2.063 0.000 -4.122) 4.609 ======================= Grid point 67 (25/140) ======================= q-point: (-0.50 0.00 0.08) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( -22.938 0.000 1.273) 22.974 2.156 ( 22.938 0.000 1.273) 22.974 2.212 ( -24.298 0.000 4.675) 24.744 2.212 ( 24.298 0.000 4.675) 24.744 3.140 ( -5.807 0.000 4.195) 7.164 3.140 ( 5.807 0.000 4.195) 7.164 3.923 ( -1.443 0.000 0.337) 1.482 3.923 ( 1.443 0.000 0.337) 1.482 4.079 ( -30.141 0.000 7.154) 30.978 4.079 ( 30.141 0.000 7.154) 30.978 4.760 ( -12.789 0.000 1.059) 12.833 4.760 ( 12.789 0.000 1.059) 12.833 5.163 ( -15.135 0.000 10.830) 18.611 5.163 ( 15.135 0.000 10.830) 18.611 5.432 ( -5.286 0.000 -1.892) 5.614 5.432 ( 5.286 0.000 -1.892) 5.614 6.170 ( -3.478 0.000 -1.568) 3.815 6.170 ( 3.478 0.000 -1.568) 3.815 6.367 ( -7.114 0.000 -3.990) 8.157 6.367 ( 7.114 0.000 -3.990) 8.157 6.564 ( -14.572 0.000 -0.904) 14.600 6.564 ( 14.572 0.000 -0.904) 14.600 8.192 ( -4.440 0.000 -1.926) 4.840 8.192 ( 4.440 0.000 -1.926) 4.840 8.341 ( -7.544 0.000 -13.159) 15.168 8.341 ( 7.544 0.000 -13.159) 15.168 8.740 ( -1.447 0.000 -9.109) 9.224 8.740 ( 1.447 0.000 -9.109) 9.224 8.866 ( -0.885 0.000 8.922) 8.966 8.866 ( 0.885 0.000 8.922) 8.966 9.700 ( -3.719 0.000 1.049) 3.864 9.700 ( 3.719 0.000 1.049) 3.864 9.928 ( -1.360 0.000 -2.747) 3.065 9.928 ( 1.360 0.000 -2.747) 3.065 10.360 ( -4.758 0.000 3.720) 6.040 10.360 ( 4.758 0.000 3.720) 6.040 10.586 ( -5.180 0.000 -6.285) 8.145 10.586 ( 5.180 0.000 -6.285) 8.145 10.941 ( -4.363 0.000 3.901) 5.853 10.941 ( 4.363 0.000 3.901) 5.853 12.160 ( -4.441 0.000 1.261) 4.617 12.160 ( 4.441 0.000 1.261) 4.617 12.559 ( -8.199 0.000 -11.360) 14.009 12.559 ( 8.199 0.000 -11.360) 14.009 13.485 ( -5.163 0.000 13.339) 14.303 13.485 ( 5.163 0.000 13.339) 14.303 15.155 ( -3.570 0.000 -3.912) 5.296 15.155 ( 3.570 0.000 -3.912) 5.296 ======================= Grid point 72 (26/140) ======================= q-point: ( 0.00 0.14 0.08) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 0.000 19.760 19.607) 27.837 0.893 ( 0.000 20.582 23.231) 31.037 1.442 ( 0.000 43.663 25.416) 50.521 2.717 ( 0.000 -5.131 0.870) 5.204 2.904 ( 0.000 -7.287 8.405) 11.124 3.392 ( 0.000 -0.410 8.030) 8.041 3.712 ( 0.000 0.688 -10.890) 10.912 3.791 ( 0.000 -4.017 3.747) 5.493 3.888 ( 0.000 -4.839 4.159) 6.380 4.188 ( 0.000 0.143 12.260) 12.261 4.631 ( 0.000 -22.306 24.527) 33.153 5.111 ( 0.000 -3.650 12.388) 12.915 5.172 ( 0.000 2.675 1.433) 3.034 5.183 ( 0.000 -11.210 -11.798) 16.274 5.636 ( 0.000 -14.605 4.066) 15.160 6.037 ( 0.000 -7.357 -4.133) 8.439 6.299 ( 0.000 7.032 -8.149) 10.764 6.306 ( 0.000 7.750 -3.625) 8.556 6.555 ( 0.000 8.061 -2.737) 8.513 6.889 ( 0.000 0.730 -1.307) 1.497 7.045 ( 0.000 5.452 -10.014) 11.402 7.243 ( 0.000 5.554 -4.051) 6.874 7.269 ( 0.000 -1.948 0.747) 2.086 7.331 ( 0.000 1.647 -2.669) 3.136 7.727 ( 0.000 -10.328 4.362) 11.211 8.207 ( 0.000 -1.557 -2.644) 3.068 8.277 ( 0.000 -7.278 6.862) 10.003 8.320 ( 0.000 -1.761 1.552) 2.348 9.155 ( 0.000 8.381 -18.449) 20.263 9.203 ( 0.000 3.418 -5.578) 6.542 9.640 ( 0.000 -4.434 6.053) 7.503 9.976 ( 0.000 -9.331 1.959) 9.535 10.105 ( 0.000 0.147 -4.936) 4.938 10.123 ( 0.000 1.523 -4.199) 4.467 10.202 ( 0.000 2.147 -3.532) 4.133 10.421 ( 0.000 7.021 6.687) 9.696 10.538 ( 0.000 -7.428 23.330) 24.484 10.769 ( 0.000 11.976 -3.598) 12.505 11.080 ( 0.000 1.491 -2.165) 2.629 11.465 ( 0.000 -19.054 -12.885) 23.002 11.489 ( 0.000 -0.426 1.357) 1.422 11.815 ( 0.000 4.155 3.598) 5.496 12.541 ( 0.000 10.659 -4.283) 11.487 12.729 ( 0.000 3.248 -11.847) 12.284 13.293 ( 0.000 3.657 12.552) 13.074 14.558 ( 0.000 17.612 -16.605) 24.205 14.688 ( 0.000 1.755 2.502) 3.056 15.163 ( 0.000 -8.434 -4.334) 9.482 ======================= Grid point 73 (27/140) ======================= q-point: ( 0.12 0.14 0.08) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 10.601 19.513 11.124) 24.837 1.095 ( 15.260 20.721 17.371) 31.049 1.839 ( 33.058 30.879 23.382) 50.922 2.776 ( 5.040 -4.729 -0.729) 6.950 2.929 ( 2.373 -6.600 8.463) 10.991 3.362 ( -3.224 -1.773 7.442) 8.302 3.492 ( -15.792 -1.671 -3.779) 16.323 3.880 ( 2.698 -1.261 2.038) 3.609 3.892 ( 2.164 -2.135 2.227) 3.768 4.136 ( -4.181 1.130 9.711) 10.633 4.549 ( -5.474 -9.966 23.307) 25.933 5.067 ( -3.617 -1.622 13.685) 14.247 5.120 ( -0.271 -10.270 -10.677) 14.817 5.380 ( 14.734 -1.227 -4.647) 15.498 5.615 ( -2.161 -13.305 4.251) 14.134 6.022 ( -2.097 -7.755 -3.670) 8.832 6.130 ( -12.859 6.090 -3.124) 14.567 6.267 ( -6.638 6.995 -4.340) 10.575 6.435 ( -18.023 11.981 4.020) 22.013 6.544 ( -1.866 9.636 -2.463) 10.119 6.934 ( -10.853 -2.625 -1.725) 11.298 7.222 ( -6.682 1.273 -0.926) 6.865 7.369 ( 14.348 -3.318 -10.260) 17.948 7.599 ( 7.268 -12.605 0.072) 14.550 8.000 ( 15.143 4.026 -7.397) 17.327 8.295 ( 8.128 -1.841 -1.774) 8.521 8.369 ( 5.904 -2.658 1.187) 6.583 8.418 ( 12.219 -11.998 0.607) 17.136 9.112 ( -3.278 7.974 -14.132) 16.554 9.170 ( -4.294 3.042 -5.652) 7.722 9.636 ( -0.495 -4.455 1.878) 4.860 9.965 ( -0.545 -9.637 -1.746) 9.809 10.077 ( -2.407 0.814 -4.811) 5.440 10.171 ( -0.266 5.363 -3.109) 6.205 10.214 ( 4.326 0.137 -4.404) 6.175 10.347 ( -5.448 2.638 9.855) 11.566 10.552 ( -0.531 -7.210 16.640) 18.143 10.765 ( 0.012 11.308 -3.329) 11.788 11.069 ( -1.756 2.107 -1.129) 2.966 11.323 ( -7.296 -1.675 -6.873) 10.162 11.634 ( 8.114 -13.611 -2.086) 15.983 11.815 ( 0.862 1.900 4.010) 4.521 12.557 ( 1.449 10.365 -4.030) 11.215 12.747 ( 1.624 3.970 -11.900) 12.649 13.327 ( 2.657 2.150 13.295) 13.727 14.267 ( -17.923 19.754 0.906) 26.689 14.822 ( 6.203 -0.470 -4.531) 7.696 15.162 ( -0.096 -8.265 -4.298) 9.317 ======================= Grid point 74 (28/140) ======================= q-point: ( 0.25 0.14 0.08) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 24.790 11.172 1.139) 27.214 1.453 ( 20.524 15.729 11.979) 28.498 2.509 ( 28.738 19.638 15.693) 38.182 2.874 ( 4.523 -5.927 0.499) 7.473 2.979 ( 3.599 -1.875 5.759) 7.046 3.134 ( -17.002 1.689 0.569) 17.095 3.301 ( -4.099 -3.945 6.711) 8.798 3.920 ( 1.600 -1.322 1.621) 2.634 4.001 ( 10.464 0.639 2.935) 10.887 4.058 ( -3.375 1.812 5.896) 7.031 4.497 ( 0.084 -1.273 15.448) 15.500 5.005 ( -2.872 -2.535 9.623) 10.358 5.119 ( -0.617 -13.674 -8.466) 16.094 5.555 ( -3.916 -8.866 3.901) 10.448 5.693 ( 9.796 -2.314 -4.863) 11.179 5.755 ( -16.313 4.598 0.692) 16.963 6.014 ( -1.316 -8.029 -3.332) 8.792 6.073 ( -12.998 6.515 -1.597) 14.627 6.213 ( -5.442 2.335 3.975) 7.132 6.516 ( -1.006 11.358 -3.482) 11.922 6.749 ( -8.160 0.754 -0.828) 8.237 7.042 ( -10.973 -0.212 -2.126) 11.179 7.649 ( 13.658 -6.841 -7.430) 16.987 7.747 ( 8.622 -13.290 -3.498) 16.224 8.197 ( 8.115 6.928 -4.663) 11.645 8.405 ( 3.525 -1.728 -5.449) 6.715 8.565 ( 10.956 -2.100 3.017) 11.557 8.620 ( 7.973 -6.803 -2.105) 10.690 9.036 ( -7.242 3.995 -5.501) 9.933 9.052 ( -4.232 7.818 -8.009) 11.966 9.617 ( -1.125 -4.104 -0.209) 4.260 9.937 ( -3.442 -2.727 -5.069) 6.707 10.022 ( -2.647 -1.784 -4.519) 5.533 10.129 ( -2.942 3.727 -2.308) 5.279 10.215 ( -4.642 -2.771 7.230) 9.027 10.340 ( 2.995 1.258 -1.720) 3.676 10.510 ( -1.786 -6.633 8.819) 11.179 10.777 ( 0.948 10.078 -3.727) 10.787 11.001 ( -4.410 3.050 -0.073) 5.362 11.208 ( -4.721 5.403 -1.966) 7.439 11.788 ( 7.243 -15.801 -0.910) 17.406 11.857 ( 3.040 -3.490 2.916) 5.471 12.596 ( 2.630 10.376 -3.864) 11.380 12.780 ( 1.378 4.598 -11.426) 12.394 13.379 ( 2.789 2.722 14.267) 14.790 13.963 ( -13.260 16.742 6.604) 22.355 14.929 ( 5.081 -2.958 -3.713) 6.954 15.157 ( -0.565 -7.748 -4.183) 8.823 ======================= Grid point 75 (29/140) ======================= q-point: ( 0.38 0.14 0.08) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 25.942 6.217 -0.276) 26.678 1.867 ( 21.282 10.419 8.028) 25.019 2.598 ( -12.936 7.989 3.801) 15.672 2.705 ( -20.140 2.457 2.372) 20.427 2.973 ( 4.494 -5.325 1.847) 7.208 3.173 ( -3.765 -6.122 5.159) 8.847 3.513 ( 33.864 10.911 11.274) 37.322 3.939 ( 0.698 1.368 0.348) 1.575 4.004 ( -1.848 3.039 3.004) 4.656 4.301 ( 16.870 -1.447 1.341) 16.985 4.507 ( -0.325 -1.364 8.241) 8.360 4.941 ( -5.136 -2.690 6.593) 8.780 5.052 ( -7.466 -13.984 -0.566) 15.862 5.280 ( -19.556 2.261 4.271) 20.144 5.499 ( -2.198 -2.495 2.389) 4.094 5.717 ( -13.239 6.568 0.581) 14.790 6.002 ( 1.257 -8.974 -1.909) 9.261 6.036 ( 3.726 -1.869 -4.368) 6.038 6.204 ( 7.849 -7.296 1.379) 10.804 6.508 ( 0.067 12.035 -4.072) 12.705 6.616 ( -5.258 3.918 -0.320) 6.565 6.810 ( -12.432 0.280 -2.367) 12.659 7.871 ( 8.856 -12.446 -3.898) 15.765 7.925 ( 8.100 -11.651 -6.712) 15.698 8.349 ( 7.101 6.452 -5.677) 11.148 8.441 ( 0.667 -0.093 -10.552) 10.574 8.682 ( 2.134 -3.956 -2.520) 5.153 8.784 ( 3.961 -0.999 2.448) 4.763 8.890 ( -3.299 5.087 -0.887) 6.127 8.995 ( -2.104 9.803 -3.631) 10.664 9.617 ( 1.669 -2.411 0.784) 3.035 9.824 ( -7.218 2.410 -1.406) 7.738 9.983 ( -1.177 0.311 -3.752) 3.945 10.065 ( -3.649 4.804 -1.601) 6.242 10.158 ( -0.697 -10.665 3.627) 11.286 10.286 ( -6.150 -8.372 2.747) 10.745 10.569 ( 5.864 2.668 -1.420) 6.597 10.769 ( -2.745 7.169 -5.844) 9.647 10.956 ( 1.073 6.089 2.680) 6.739 11.119 ( -4.719 7.217 0.979) 8.678 11.900 ( 3.952 -15.286 -0.194) 15.790 11.915 ( 2.443 -8.509 1.586) 8.993 12.660 ( 3.905 9.137 -4.409) 10.871 12.785 ( -1.094 5.000 -9.220) 10.545 13.448 ( 4.645 5.984 12.801) 14.874 13.738 ( -10.056 12.839 7.838) 18.094 15.021 ( 4.293 -4.560 -3.517) 7.183 15.137 ( -1.565 -6.926 -3.979) 8.139 ======================= Grid point 76 (30/140) ======================= q-point: (-0.50 0.14 0.08) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( -11.578 1.913 2.242) 11.947 2.150 ( 11.578 1.913 2.242) 11.948 2.350 ( -8.872 10.608 3.810) 14.344 2.350 ( 8.872 10.608 3.810) 14.344 3.073 ( -5.477 -5.701 3.926) 8.827 3.073 ( 5.477 -5.701 3.926) 8.827 3.947 ( -1.184 1.698 1.283) 2.435 3.947 ( 1.184 1.698 1.283) 2.435 4.188 ( -25.638 8.822 6.066) 27.784 4.188 ( 25.638 8.822 6.066) 27.784 4.701 ( -15.381 -6.342 0.185) 16.639 4.701 ( 15.381 -6.342 0.185) 16.639 5.032 ( -6.994 -6.541 8.364) 12.715 5.032 ( 6.994 -6.541 8.364) 12.715 5.524 ( -5.357 4.610 1.757) 7.283 5.524 ( 5.357 4.610 1.757) 7.283 6.029 ( -1.726 -8.048 -1.384) 8.347 6.029 ( 1.726 -8.048 -1.384) 8.347 6.435 ( -10.192 -3.191 -4.690) 11.665 6.435 ( 10.192 -3.191 -4.690) 11.665 6.605 ( -5.960 8.733 -0.319) 10.578 6.605 ( 5.960 8.733 -0.319) 10.578 7.988 ( -2.198 -13.804 -4.928) 14.821 7.988 ( 2.198 -13.804 -4.928) 14.821 8.442 ( -1.747 4.613 -9.213) 10.450 8.442 ( 1.747 4.613 -9.213) 10.450 8.714 ( -3.425 -1.306 -4.914) 6.131 8.714 ( 3.425 -1.306 -4.914) 6.131 8.954 ( -3.224 7.067 3.547) 8.539 8.954 ( 3.224 7.067 3.547) 8.539 9.691 ( -5.775 0.355 0.960) 5.865 9.691 ( 5.775 0.355 0.960) 5.865 9.996 ( -2.659 4.344 -2.006) 5.474 9.996 ( 2.659 4.344 -2.006) 5.474 10.186 ( -3.405 -11.985 1.864) 12.598 10.186 ( 3.405 -11.985 1.864) 12.598 10.682 ( -5.440 5.125 -4.148) 8.548 10.682 ( 5.440 5.125 -4.148) 8.548 11.024 ( -4.777 7.434 2.098) 9.082 11.024 ( 4.777 7.434 2.098) 9.082 11.939 ( -0.202 -12.506 0.590) 12.521 11.939 ( 0.202 -12.506 0.590) 12.521 12.737 ( -3.580 6.595 -6.210) 9.740 12.737 ( 3.580 6.595 -6.210) 9.740 13.567 ( -7.485 9.587 9.775) 15.604 13.567 ( 7.485 9.587 9.775) 15.604 15.093 ( -2.964 -5.856 -3.710) 7.539 15.093 ( 2.964 -5.856 -3.710) 7.539 ======================= Grid point 81 (31/140) ======================= q-point: ( 0.00 0.29 0.08) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 0.000 23.727 10.470) 25.935 1.356 ( 0.000 23.685 17.125) 29.227 2.401 ( 0.000 37.141 9.909) 38.441 2.564 ( 0.000 -2.261 1.748) 2.858 2.680 ( 0.000 -14.107 9.227) 16.856 3.413 ( 0.000 2.458 6.671) 7.110 3.646 ( 0.000 -6.778 -6.524) 9.408 3.698 ( 0.000 -3.518 4.976) 6.095 3.810 ( 0.000 -2.800 1.899) 3.383 4.184 ( 0.000 -1.409 8.546) 8.661 4.412 ( 0.000 -2.443 12.239) 12.480 4.943 ( 0.000 -10.254 -2.242) 10.496 5.042 ( 0.000 -3.511 11.421) 11.949 5.254 ( 0.000 -21.084 2.253) 21.204 5.270 ( 0.000 6.599 -0.270) 6.605 5.854 ( 0.000 -9.647 -1.318) 9.737 6.434 ( 0.000 5.711 -7.425) 9.367 6.443 ( 0.000 4.858 -4.542) 6.651 6.729 ( 0.000 7.951 -4.226) 9.004 6.908 ( 0.000 1.159 -0.827) 1.424 7.019 ( 0.000 -3.265 -3.613) 4.869 7.227 ( 0.000 -9.035 -1.319) 9.131 7.231 ( 0.000 -1.171 0.341) 1.220 7.336 ( 0.000 -0.147 -2.040) 2.046 7.683 ( 0.000 5.559 0.093) 5.560 8.135 ( 0.000 -5.357 0.037) 5.358 8.246 ( 0.000 1.303 -2.618) 2.924 8.300 ( 0.000 0.049 -1.610) 1.610 9.237 ( 0.000 1.697 -7.849) 8.030 9.286 ( 0.000 3.527 -6.331) 7.247 9.558 ( 0.000 -2.357 6.384) 6.805 9.805 ( 0.000 -6.251 3.174) 7.011 10.116 ( 0.000 0.706 -5.435) 5.481 10.144 ( 0.000 -0.156 -2.287) 2.292 10.272 ( 0.000 5.072 -3.472) 6.147 10.556 ( 0.000 4.691 9.714) 10.787 10.574 ( 0.000 6.505 5.930) 8.803 11.037 ( 0.000 -15.320 -10.059) 18.327 11.082 ( 0.000 16.048 -8.306) 18.070 11.155 ( 0.000 -0.046 -2.487) 2.488 11.487 ( 0.000 1.206 3.231) 3.449 11.959 ( 0.000 9.847 6.208) 11.641 12.452 ( 0.000 -14.052 -1.406) 14.122 12.750 ( 0.000 -5.488 -4.268) 6.952 13.524 ( 0.000 19.655 6.842) 20.812 14.733 ( 0.000 1.907 0.749) 2.049 14.768 ( 0.000 4.832 -9.113) 10.315 14.909 ( 0.000 -15.343 -3.378) 15.710 ======================= Grid point 82 (32/140) ======================= q-point: ( 0.12 0.29 0.08) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 6.311 24.479 6.229) 26.036 1.534 ( 12.955 21.500 15.753) 29.635 2.558 ( 10.280 4.504 2.704) 11.544 2.669 ( 13.404 22.531 8.800) 27.654 2.731 ( 5.783 -11.273 7.296) 14.620 3.364 ( -4.869 2.090 6.621) 8.480 3.457 ( -12.187 -0.609 -1.246) 12.266 3.766 ( 0.881 -6.665 3.834) 7.740 3.866 ( 5.397 -3.945 1.004) 6.760 4.153 ( -2.401 -0.121 6.319) 6.761 4.434 ( 1.893 -1.550 11.405) 11.665 4.900 ( -2.947 -9.014 -2.619) 9.838 5.017 ( -2.689 -3.604 12.276) 13.074 5.270 ( 1.599 -18.523 2.878) 18.814 5.392 ( 11.190 2.747 -2.502) 11.791 5.845 ( -1.008 -8.911 -1.194) 9.047 6.272 ( -13.851 6.686 -4.811) 16.115 6.380 ( -8.347 3.667 -5.015) 10.405 6.633 ( -18.862 7.159 0.908) 20.195 6.737 ( -1.044 7.964 -2.724) 8.481 6.876 ( -8.822 -2.666 -0.556) 9.233 7.242 ( -7.801 -0.617 -2.013) 8.080 7.260 ( 8.833 -7.327 -3.035) 11.871 7.361 ( 6.186 -7.221 -1.401) 9.611 8.039 ( 21.666 0.939 -6.497) 22.639 8.253 ( 9.986 -1.805 -0.776) 10.177 8.304 ( 5.863 -2.043 -2.611) 6.736 8.344 ( 5.565 0.114 -0.742) 5.615 9.200 ( -3.895 1.560 -4.652) 6.265 9.261 ( -1.828 4.992 -7.869) 9.496 9.556 ( -0.062 -2.507 3.892) 4.630 9.768 ( -3.044 -6.836 2.855) 8.009 10.066 ( -2.772 -1.958 -2.125) 4.004 10.178 ( -0.907 -2.447 -3.442) 4.319 10.323 ( 6.334 7.882 -4.677) 11.141 10.443 ( -8.598 6.048 8.170) 13.313 10.566 ( -3.429 3.557 5.998) 7.771 10.986 ( -1.637 0.906 -7.172) 7.412 11.116 ( -2.942 -3.007 -5.298) 6.765 11.180 ( 5.012 5.029 -7.670) 10.451 11.517 ( 3.054 0.412 4.395) 5.368 11.943 ( -1.432 10.012 6.730) 12.149 12.475 ( 2.287 -13.507 -0.813) 13.723 12.762 ( 0.990 -6.269 -3.743) 7.368 13.550 ( 2.627 19.732 6.414) 20.914 14.579 ( -12.055 10.148 -2.425) 15.943 14.810 ( 1.992 -1.152 -3.528) 4.212 14.913 ( 0.445 -14.956 -3.394) 15.343 ======================= Grid point 83 (33/140) ======================= q-point: ( 0.25 0.29 0.08) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 17.300 19.811 0.769) 26.313 1.816 ( 15.565 18.561 12.768) 27.383 2.672 ( 3.962 -12.245 1.783) 12.993 2.860 ( 5.553 -8.704 0.935) 10.367 3.017 ( 5.220 22.042 6.700) 23.622 3.222 ( -10.636 4.587 3.465) 12.090 3.312 ( 11.395 10.765 8.247) 17.713 3.796 ( 2.861 -8.338 4.185) 9.758 3.955 ( 2.871 -7.997 4.779) 9.748 4.135 ( 2.300 4.237 1.774) 5.138 4.477 ( 2.406 -0.226 8.743) 9.071 4.846 ( -2.839 -9.815 -1.910) 10.394 4.955 ( -3.294 -2.975 10.058) 10.994 5.315 ( 3.020 -13.340 4.017) 14.255 5.652 ( 13.959 -1.402 -4.475) 14.725 5.801 ( -6.347 -3.857 -0.444) 7.440 5.940 ( -16.037 4.243 -1.985) 16.707 6.149 ( -14.018 1.162 -2.577) 14.301 6.295 ( -14.802 5.113 1.900) 15.775 6.709 ( -7.887 -3.057 -0.333) 8.465 6.747 ( 0.346 8.300 -2.127) 8.575 7.077 ( -8.245 3.832 -3.534) 9.755 7.422 ( 7.857 -12.990 -1.824) 15.291 7.527 ( 9.508 -8.174 -4.769) 13.416 8.302 ( 8.248 3.323 -6.766) 11.174 8.385 ( 4.042 0.080 -7.523) 8.540 8.500 ( 11.003 -2.362 -2.703) 11.574 8.558 ( 13.346 -1.503 1.582) 13.524 9.093 ( -6.388 2.826 -0.781) 7.029 9.237 ( -0.592 8.158 -8.157) 11.552 9.562 ( 0.842 -1.104 0.572) 1.502 9.723 ( -0.741 -10.813 1.071) 10.892 10.010 ( -2.831 -3.252 -0.174) 4.315 10.118 ( -4.585 -3.829 -2.342) 6.416 10.245 ( -10.943 4.651 8.048) 14.358 10.419 ( -6.487 3.951 0.778) 7.635 10.502 ( 6.087 4.759 -2.603) 8.153 10.971 ( -1.274 6.604 -5.542) 8.715 11.056 ( -1.569 -1.402 -3.746) 4.297 11.245 ( 1.192 2.159 -7.713) 8.098 11.604 ( 5.549 -0.705 4.994) 7.498 11.909 ( -1.952 8.818 6.984) 11.417 12.534 ( 3.532 -12.329 0.370) 12.830 12.772 ( -0.282 -7.846 -1.964) 8.093 13.624 ( 4.947 20.129 5.065) 21.338 14.322 ( -13.167 15.589 -0.154) 20.406 14.850 ( 2.148 -4.790 -2.831) 5.964 14.923 ( 0.499 -14.088 -3.448) 14.512 ======================= Grid point 84 (34/140) ======================= q-point: ( 0.38 0.29 0.08) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 20.286 13.410 -0.464) 24.322 2.119 ( 14.526 13.298 8.852) 21.592 2.713 ( -1.990 -5.456 3.333) 6.695 2.814 ( -14.786 8.584 0.457) 17.103 2.896 ( -0.662 2.498 0.569) 2.646 3.052 ( -6.466 -1.529 7.106) 9.728 3.806 ( 23.210 10.784 5.995) 26.285 3.870 ( 6.507 -5.313 2.773) 8.846 3.973 ( 2.462 -7.774 5.999) 10.123 4.293 ( 12.820 2.425 0.420) 13.054 4.509 ( -0.192 0.898 5.311) 5.390 4.757 ( -7.375 -9.965 0.216) 12.399 4.912 ( -0.105 -0.613 7.604) 7.629 5.395 ( 4.222 -6.763 4.798) 9.305 5.407 ( -23.126 7.584 2.622) 24.479 5.794 ( -10.584 0.873 -0.535) 10.634 5.860 ( 0.505 -4.070 -2.187) 4.648 5.998 ( 6.713 -4.931 -2.479) 8.691 6.069 ( -5.440 -1.767 0.612) 5.752 6.522 ( -11.054 -8.380 -1.058) 13.911 6.779 ( 2.455 11.456 -2.236) 11.928 6.938 ( -5.968 9.889 -2.973) 11.927 7.574 ( 7.346 -14.675 -4.082) 16.911 7.674 ( 4.525 -12.312 -4.446) 13.850 8.446 ( 6.378 2.796 -5.358) 8.786 8.459 ( 3.853 2.043 -10.061) 10.966 8.631 ( 3.055 -1.176 -3.447) 4.753 8.750 ( 2.710 -2.289 -1.921) 4.034 9.016 ( 1.653 7.185 2.083) 7.662 9.218 ( -2.137 11.171 -4.383) 12.188 9.605 ( 4.167 1.278 0.350) 4.373 9.753 ( 3.206 -11.983 -3.927) 13.011 9.962 ( -3.371 0.527 0.606) 3.465 9.994 ( -6.533 -5.137 4.687) 9.541 10.067 ( -5.875 -3.764 4.376) 8.236 10.220 ( -11.147 0.544 1.242) 11.229 10.657 ( 7.720 6.285 -4.893) 11.093 10.902 ( -5.002 6.390 -4.850) 9.454 11.086 ( 3.526 2.124 -3.220) 5.226 11.230 ( -2.411 2.337 -5.408) 6.366 11.714 ( 5.362 -0.375 4.512) 7.018 11.866 ( -2.593 5.554 6.090) 8.640 12.608 ( 3.995 -11.222 1.327) 11.985 12.746 ( -2.380 -9.310 0.206) 9.611 13.741 ( 6.982 20.324 3.278) 21.738 14.086 ( -10.918 18.207 1.059) 21.256 14.891 ( 1.879 -7.955 -2.970) 8.697 14.929 ( -0.029 -12.650 -3.422) 13.104 ======================= Grid point 85 (35/140) ======================= q-point: (-0.50 0.29 0.08) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -8.198 7.176 2.460) 11.169 2.248 ( 8.199 7.176 2.460) 11.170 2.613 ( -2.235 12.354 2.816) 12.867 2.613 ( 2.235 12.354 2.816) 12.867 2.947 ( -4.727 -3.910 4.357) 7.525 2.947 ( 4.727 -3.910 4.357) 7.525 3.908 ( -2.142 -8.559 2.788) 9.254 3.908 ( 2.142 -8.559 2.788) 9.254 4.359 ( -18.057 5.765 3.548) 19.284 4.359 ( 18.057 5.765 3.548) 19.284 4.557 ( -11.956 -3.609 0.599) 12.503 4.557 ( 11.956 -3.609 0.599) 12.503 5.010 ( -12.618 4.460 7.056) 15.129 5.010 ( 12.618 4.460 7.056) 15.129 5.552 ( -10.696 -2.418 3.697) 11.572 5.552 ( 10.696 -2.418 3.697) 11.572 5.914 ( -4.813 -2.301 -1.509) 5.544 5.914 ( 4.813 -2.301 -1.509) 5.544 6.280 ( -13.538 -9.524 -2.664) 16.766 6.280 ( 13.538 -9.524 -2.664) 16.766 6.842 ( -3.973 12.282 -2.152) 13.087 6.842 ( 3.973 12.282 -2.152) 13.087 7.685 ( -3.248 -14.752 -4.859) 15.867 7.685 ( 3.248 -14.752 -4.859) 15.867 8.515 ( -0.926 2.982 -7.049) 7.710 8.515 ( 0.926 2.982 -7.049) 7.710 8.688 ( -4.691 -1.526 -4.357) 6.582 8.688 ( 4.691 -1.526 -4.357) 6.582 9.133 ( -6.623 9.829 0.415) 11.860 9.133 ( 6.623 9.829 0.415) 11.860 9.726 ( -7.158 1.744 -1.848) 7.595 9.726 ( 7.158 1.744 -1.848) 7.595 9.928 ( -4.417 -10.664 3.752) 12.137 9.928 ( 4.417 -10.664 3.752) 12.137 10.046 ( -4.991 -0.875 1.447) 5.270 10.046 ( 4.991 -0.875 1.447) 5.270 10.792 ( -6.212 6.291 -4.747) 10.035 10.792 ( 6.212 6.291 -4.747) 10.035 11.164 ( -4.057 2.889 -3.789) 6.258 11.164 ( 4.057 2.889 -3.789) 6.258 11.804 ( -3.839 1.928 4.919) 6.531 11.804 ( 3.839 1.928 4.919) 6.531 12.685 ( -3.714 -10.339 1.416) 11.077 12.685 ( 3.714 -10.339 1.416) 11.077 13.895 ( -8.796 19.672 1.908) 21.633 13.895 ( 8.796 19.672 1.908) 21.633 14.919 ( -0.995 -10.598 -3.242) 11.127 14.919 ( 0.995 -10.598 -3.242) 11.127 ======================= Grid point 90 (36/140) ======================= q-point: ( 0.00 0.43 0.08) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 0.000 22.609 5.164) 23.191 1.856 ( 0.000 23.667 12.473) 26.753 2.208 ( 0.000 -18.472 1.589) 18.540 2.321 ( 0.000 -20.134 10.365) 22.645 3.285 ( 0.000 27.704 4.608) 28.085 3.503 ( 0.000 9.481 0.720) 9.508 3.504 ( 0.000 -6.018 -4.091) 7.277 3.708 ( 0.000 6.555 9.532) 11.568 3.722 ( 0.000 -6.091 4.623) 7.646 4.038 ( 0.000 -15.098 5.114) 15.941 4.454 ( 0.000 6.380 3.890) 7.473 4.701 ( 0.000 -16.101 4.511) 16.721 4.931 ( 0.000 -3.718 4.072) 5.514 4.963 ( 0.000 -3.781 9.619) 10.335 5.439 ( 0.000 9.350 -0.049) 9.350 5.646 ( 0.000 -10.178 -0.282) 10.182 6.512 ( 0.000 1.903 -5.588) 5.904 6.516 ( 0.000 1.812 -6.569) 6.815 6.870 ( 0.000 5.315 -3.822) 6.546 6.944 ( 0.000 2.758 -0.394) 2.786 6.951 ( 0.000 -3.202 -3.131) 4.479 7.047 ( 0.000 -7.095 -0.172) 7.097 7.236 ( 0.000 1.702 -0.579) 1.798 7.293 ( 0.000 -3.201 -1.309) 3.459 7.835 ( 0.000 7.944 0.032) 7.944 7.998 ( 0.000 -7.453 0.837) 7.500 8.283 ( 0.000 1.698 -5.547) 5.801 8.304 ( 0.000 -0.205 -4.260) 4.265 9.270 ( 0.000 1.815 -1.170) 2.159 9.309 ( 0.000 -1.256 -2.392) 2.702 9.580 ( 0.000 4.227 2.957) 5.159 9.689 ( 0.000 -5.471 1.091) 5.579 10.127 ( 0.000 0.329 -4.176) 4.189 10.134 ( 0.000 -0.478 -2.397) 2.444 10.430 ( 0.000 10.230 -5.369) 11.553 10.644 ( 0.000 2.672 4.745) 5.446 10.662 ( 0.000 1.657 4.541) 4.834 10.697 ( 0.000 -14.729 -7.651) 16.598 11.220 ( 0.000 3.822 -3.989) 5.524 11.273 ( 0.000 0.476 -7.838) 7.853 11.671 ( 0.000 17.664 1.489) 17.727 12.085 ( 0.000 -19.935 -1.496) 19.991 12.218 ( 0.000 14.421 7.635) 16.317 12.525 ( 0.000 -14.057 5.085) 14.948 14.008 ( 0.000 24.570 -0.662) 24.579 14.497 ( 0.000 -21.582 -3.503) 21.865 14.795 ( 0.000 1.707 -0.105) 1.710 14.815 ( 0.000 0.242 -3.476) 3.485 ======================= Grid point 91 (37/140) ======================= q-point: ( 0.12 0.43 0.08) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 4.906 23.468 3.180) 24.185 1.985 ( 10.545 21.365 11.858) 26.614 2.254 ( 4.277 -19.235 0.938) 19.727 2.404 ( 8.018 -18.215 8.982) 21.835 3.362 ( 5.107 14.065 1.966) 15.092 3.462 ( -4.024 2.875 -0.571) 4.978 3.504 ( 2.097 16.358 2.796) 16.727 3.676 ( -1.597 3.185 8.059) 8.812 3.736 ( -0.139 -7.002 5.770) 9.074 4.040 ( 1.251 -13.769 3.631) 14.295 4.472 ( 1.584 5.606 3.543) 6.818 4.688 ( -1.189 -13.723 3.961) 14.332 4.932 ( 0.115 -1.416 6.632) 6.782 4.990 ( 2.643 -6.184 8.398) 10.759 5.495 ( 5.601 6.826 -1.198) 8.911 5.660 ( 1.442 -8.633 -0.797) 8.789 6.384 ( -12.180 3.698 -5.318) 13.795 6.421 ( -10.210 0.160 -5.521) 11.608 6.748 ( -16.919 4.202 0.972) 17.460 6.819 ( -11.001 -2.777 0.191) 11.348 6.885 ( 1.269 6.695 -3.596) 7.705 7.049 ( 2.194 -9.307 -2.886) 9.988 7.260 ( -0.808 0.718 -0.588) 1.231 7.284 ( 3.215 -1.858 -1.185) 3.898 8.080 ( 18.370 3.252 -3.790) 19.037 8.168 ( 14.237 -4.858 -1.509) 15.119 8.321 ( 4.013 1.805 -5.379) 6.950 8.346 ( 4.683 -0.397 -3.521) 5.873 9.240 ( -2.868 2.537 0.086) 3.830 9.295 ( -0.986 -1.777 -2.651) 3.341 9.570 ( -0.773 3.804 2.900) 4.846 9.664 ( -2.353 -4.389 0.984) 5.076 10.050 ( -5.261 1.218 -2.109) 5.797 10.110 ( -3.882 -3.738 -2.930) 6.134 10.508 ( 6.935 10.070 -5.909) 13.580 10.557 ( -7.886 4.284 4.440) 10.013 10.607 ( -6.092 -0.161 3.689) 7.124 10.752 ( 5.082 -13.143 -7.694) 16.055 11.193 ( -2.388 5.186 -4.563) 7.309 11.276 ( -0.207 -1.408 -6.552) 6.705 11.706 ( 3.434 17.668 1.932) 18.102 12.116 ( 2.983 -19.703 -0.678) 19.939 12.210 ( -0.901 14.843 7.825) 16.803 12.526 ( -0.105 -14.499 5.214) 15.409 14.031 ( 2.350 24.255 -0.773) 24.381 14.512 ( 1.452 -21.050 -3.460) 21.382 14.732 ( -5.992 4.416 -1.559) 7.604 14.795 ( -1.872 -1.869 -1.706) 3.147 ======================= Grid point 92 (38/140) ======================= q-point: ( 0.25 0.43 0.08) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 11.515 20.457 0.578) 23.482 2.211 ( 11.666 18.845 9.629) 24.165 2.365 ( 6.934 -16.935 1.449) 18.357 2.585 ( 8.891 -16.243 4.792) 19.128 3.329 ( -7.267 8.884 3.188) 11.912 3.355 ( -5.538 9.180 -0.071) 10.721 3.585 ( -1.028 -4.925 5.983) 7.817 3.703 ( -2.873 -13.794 4.849) 14.901 3.785 ( 17.165 21.751 6.747) 28.518 4.129 ( 8.101 -7.460 2.381) 11.267 4.508 ( 1.879 3.939 2.643) 5.102 4.660 ( -1.669 -9.563 3.034) 10.171 4.936 ( 0.451 2.483 8.376) 8.748 5.062 ( 4.711 -9.439 7.953) 13.211 5.647 ( 9.539 1.127 -2.675) 9.971 5.702 ( 2.749 -4.070 -1.731) 5.207 6.063 ( -19.715 5.512 -2.911) 20.677 6.142 ( -17.386 -1.923 -3.560) 17.851 6.417 ( -15.937 6.815 1.581) 17.405 6.574 ( -13.249 -7.795 1.172) 15.417 6.932 ( 3.489 8.694 -3.320) 9.939 7.112 ( 3.906 -6.438 -5.499) 9.324 7.249 ( 0.213 2.070 0.254) 2.096 7.370 ( 4.252 -7.027 -1.870) 8.423 8.351 ( 8.396 1.830 -8.285) 11.937 8.384 ( 6.142 -1.008 -9.243) 11.143 8.487 ( 12.111 1.251 -2.540) 12.438 8.526 ( 12.640 -1.819 -1.085) 12.816 9.178 ( -2.630 5.474 2.206) 6.461 9.297 ( 2.062 -3.937 -2.451) 5.075 9.564 ( 0.321 2.503 2.875) 3.825 9.613 ( -2.124 -1.253 -0.748) 2.577 9.943 ( -5.307 -1.002 0.922) 5.479 10.005 ( -6.376 -5.754 -1.595) 8.735 10.358 ( -11.989 5.060 4.109) 13.646 10.434 ( -11.120 -1.883 2.552) 11.563 10.663 ( 8.285 9.323 -6.553) 14.089 10.870 ( 6.546 -10.196 -7.556) 14.279 11.133 ( -3.660 6.743 -4.819) 9.061 11.254 ( -2.066 -3.805 -5.799) 7.237 11.796 ( 5.451 17.146 3.191) 18.272 12.177 ( -2.243 14.213 7.725) 16.332 12.193 ( 4.332 -17.703 1.545) 18.290 12.512 ( -1.561 -15.439 5.558) 16.483 14.096 ( 4.231 23.253 -1.058) 23.659 14.548 ( 1.597 -16.741 -3.279) 17.134 14.592 ( -7.144 6.679 -1.472) 9.890 14.751 ( -2.508 -6.163 -1.614) 6.846 ======================= Grid point 93 (39/140) ======================= q-point: ( 0.38 0.43 0.08) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 13.328 14.667 0.295) 19.821 2.405 ( 7.207 13.260 5.846) 16.185 2.511 ( 7.389 -11.506 2.649) 13.928 2.690 ( 0.864 -12.093 1.793) 12.255 3.176 ( -6.439 16.949 4.176) 18.606 3.240 ( -6.326 15.748 3.512) 17.331 3.553 ( -0.656 -16.654 4.970) 17.392 3.640 ( -3.399 -18.918 3.623) 19.560 4.174 ( 19.698 13.446 3.948) 24.174 4.330 ( 11.201 -1.265 1.424) 11.362 4.533 ( 0.225 1.986 1.784) 2.679 4.615 ( -3.262 -5.359 2.455) 6.737 4.976 ( 4.915 7.280 8.106) 11.953 5.187 ( 8.708 -11.458 7.365) 16.166 5.602 ( -21.221 9.583 1.248) 23.318 5.774 ( -18.600 -4.482 0.370) 19.136 5.812 ( 3.126 -0.579 -2.781) 4.224 5.856 ( 10.766 -4.762 -2.555) 12.047 6.141 ( -12.207 6.690 0.403) 13.926 6.321 ( -12.637 -9.889 -0.119) 16.046 7.015 ( 4.741 11.323 -3.191) 12.684 7.156 ( -0.547 8.971 -4.336) 9.979 7.291 ( 4.485 -10.629 -2.599) 11.826 7.421 ( 0.516 -11.812 -2.957) 12.188 8.484 ( 5.924 1.559 -7.260) 9.499 8.500 ( 6.263 0.618 -8.353) 10.458 8.633 ( 2.206 1.661 -3.801) 4.698 8.691 ( 2.104 -3.223 -3.576) 5.253 9.196 ( 5.735 10.075 2.327) 11.824 9.389 ( 6.141 -2.164 -3.875) 7.577 9.540 ( -2.546 -0.206 0.243) 2.566 9.633 ( 3.493 -0.965 -2.307) 4.296 9.852 ( -4.679 -3.633 3.810) 7.043 9.900 ( -1.432 -5.890 2.817) 6.684 10.109 ( -12.983 4.918 4.768) 14.680 10.197 ( -12.480 -2.988 2.516) 13.077 10.817 ( 7.345 8.587 -6.647) 13.109 10.996 ( 6.194 -7.961 -7.208) 12.398 11.051 ( -4.742 7.647 -5.355) 10.471 11.196 ( -3.807 -5.410 -6.020) 8.944 11.908 ( 5.865 16.404 4.887) 18.093 12.113 ( -4.178 15.919 7.686) 18.165 12.287 ( 4.978 -18.166 3.317) 19.125 12.462 ( -3.454 -16.401 5.647) 17.687 14.191 ( 5.422 21.432 -1.348) 22.148 14.436 ( -7.229 14.828 -1.431) 16.558 14.604 ( 2.658 -17.759 -3.001) 18.206 14.702 ( -2.419 -10.816 -2.100) 11.280 ======================= Grid point 94 (40/140) ======================= q-point: (-0.50 0.43 0.08) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( -5.966 9.885 2.350) 11.783 2.431 ( 5.966 9.885 2.350) 11.783 2.632 ( -5.168 -8.220 1.888) 9.892 2.632 ( 5.168 -8.220 1.888) 9.892 3.138 ( -2.750 19.487 4.798) 20.256 3.138 ( 2.750 19.487 4.798) 20.256 3.577 ( -2.754 -20.666 3.962) 21.222 3.577 ( 2.754 -20.666 3.962) 21.222 4.455 ( -6.576 4.370 0.753) 7.931 4.455 ( 6.576 4.370 0.753) 7.931 4.527 ( -4.773 -2.009 2.290) 5.662 4.527 ( 4.773 -2.009 2.290) 5.662 5.191 ( -17.748 11.478 5.767) 21.909 5.191 ( 17.748 11.478 5.767) 21.909 5.423 ( -15.667 -9.503 4.663) 18.908 5.423 ( 15.667 -9.503 4.663) 18.908 5.939 ( -8.410 4.460 -1.479) 9.634 5.939 ( 8.410 4.460 -1.479) 9.634 6.082 ( -11.833 -8.756 -1.710) 14.819 6.082 ( 11.833 -8.756 -1.710) 14.819 7.105 ( -4.069 12.958 -3.177) 13.948 7.105 ( 4.069 12.958 -3.177) 13.948 7.384 ( -4.018 -13.934 -4.170) 15.090 7.384 ( 4.018 -13.934 -4.170) 15.090 8.580 ( -2.401 3.242 -5.742) 7.018 8.580 ( 2.401 3.242 -5.742) 7.018 8.644 ( -3.808 -2.720 -4.942) 6.806 8.644 ( 3.808 -2.720 -4.942) 6.806 9.357 ( -8.408 11.560 -1.363) 14.359 9.357 ( 8.408 11.560 -1.363) 14.359 9.605 ( -7.146 -11.636 -3.896) 14.200 9.605 ( 7.146 -11.636 -3.896) 14.200 9.880 ( -9.021 4.262 6.373) 11.839 9.880 ( 9.021 4.262 6.373) 11.839 9.982 ( -8.553 -4.648 3.845) 10.466 9.982 ( 8.553 -4.648 3.845) 10.466 10.947 ( -5.958 8.116 -6.121) 11.783 10.947 ( 5.958 8.116 -6.121) 11.783 11.108 ( -5.195 -6.566 -6.635) 10.683 11.108 ( 5.195 -6.566 -6.635) 10.683 12.019 ( -5.352 16.053 6.547) 18.144 12.019 ( 5.352 16.053 6.547) 18.144 12.382 ( -4.644 -17.291 4.917) 18.567 12.382 ( 4.644 -17.291 4.917) 18.567 14.305 ( -6.243 18.678 -1.460) 19.748 14.305 ( 6.243 18.678 -1.460) 19.748 14.655 ( -2.500 -14.755 -2.628) 15.194 14.655 ( 2.500 -14.755 -2.628) 15.194 ======================= Grid point 126 (41/140) ======================= q-point: ( 0.00 0.00 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 0.000 0.000 26.954) 26.954 1.131 ( 0.000 0.000 28.389) 28.389 1.808 ( 0.000 0.000 43.631) 43.631 2.833 ( 0.000 0.000 4.241) 4.241 3.182 ( 0.000 0.000 11.874) 11.874 3.499 ( 0.000 0.000 -8.452) 8.452 3.610 ( 0.000 0.000 12.723) 12.723 3.918 ( 0.000 0.000 5.596) 5.596 4.103 ( 0.000 0.000 9.667) 9.667 4.365 ( 0.000 0.000 5.704) 5.704 5.014 ( 0.000 0.000 -7.468) 7.468 5.034 ( 0.000 0.000 -12.292) 12.292 5.137 ( 0.000 0.000 1.924) 1.924 5.544 ( 0.000 0.000 9.622) 9.622 5.871 ( 0.000 0.000 -14.186) 14.186 5.878 ( 0.000 0.000 -0.195) 0.195 6.129 ( 0.000 0.000 -5.330) 5.330 6.202 ( 0.000 0.000 4.823) 4.823 6.462 ( 0.000 0.000 0.868) 0.868 6.752 ( 0.000 0.000 0.146) 0.146 6.829 ( 0.000 0.000 -3.639) 3.639 7.219 ( 0.000 0.000 -0.790) 0.790 7.268 ( 0.000 0.000 1.405) 1.405 7.331 ( 0.000 0.000 3.354) 3.354 7.896 ( 0.000 0.000 -1.623) 1.623 8.162 ( 0.000 0.000 -2.528) 2.528 8.375 ( 0.000 0.000 1.096) 1.096 8.528 ( 0.000 0.000 -15.945) 15.945 8.556 ( 0.000 0.000 -6.702) 6.702 9.062 ( 0.000 0.000 -5.775) 5.775 9.747 ( 0.000 0.000 -2.708) 2.708 9.932 ( 0.000 0.000 -6.386) 6.386 10.016 ( 0.000 0.000 -4.496) 4.496 10.067 ( 0.000 0.000 -5.026) 5.026 10.115 ( 0.000 0.000 -1.918) 1.918 10.466 ( 0.000 0.000 7.125) 7.125 10.641 ( 0.000 0.000 2.682) 2.682 10.957 ( 0.000 0.000 -5.934) 5.934 11.064 ( 0.000 0.000 4.794) 4.794 11.362 ( 0.000 0.000 -21.293) 21.293 11.511 ( 0.000 0.000 0.820) 0.820 11.845 ( 0.000 0.000 4.746) 4.746 12.343 ( 0.000 0.000 1.220) 1.220 12.435 ( 0.000 0.000 -2.330) 2.330 13.422 ( 0.000 0.000 9.021) 9.021 14.324 ( 0.000 0.000 8.968) 8.968 14.742 ( 0.000 0.000 4.256) 4.256 15.126 ( 0.000 0.000 -8.355) 8.355 ======================= Grid point 127 (42/140) ======================= q-point: ( 0.12 0.00 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -0.968 0.000 26.520) 26.538 1.208 ( 12.801 0.000 23.553) 26.807 2.196 ( 30.611 0.000 36.564) 47.686 2.849 ( 1.998 0.000 2.388) 3.114 3.191 ( -0.245 0.000 10.960) 10.963 3.388 ( -10.866 0.000 -5.747) 12.292 3.598 ( -1.180 0.000 12.409) 12.465 3.911 ( -0.629 0.000 3.631) 3.685 4.097 ( 0.398 0.000 9.781) 9.789 4.277 ( -7.369 0.000 6.768) 10.005 4.976 ( 2.128 0.000 -13.576) 13.741 5.023 ( -10.657 0.000 7.030) 12.767 5.272 ( 16.030 0.000 -7.117) 17.539 5.426 ( -8.380 0.000 16.069) 18.123 5.841 ( -3.713 0.000 -0.071) 3.714 5.889 ( 0.636 0.000 -12.603) 12.619 6.046 ( -8.751 0.000 -2.943) 9.233 6.210 ( 0.780 0.000 4.537) 4.604 6.318 ( -20.224 0.000 4.817) 20.790 6.432 ( -2.793 0.000 1.143) 3.018 6.897 ( -10.492 0.000 -4.493) 11.414 7.199 ( 14.177 0.000 -6.936) 15.783 7.207 ( -6.648 0.000 1.149) 6.747 7.749 ( 19.615 0.000 -0.677) 19.627 7.820 ( -2.570 0.000 -7.077) 7.529 8.324 ( 5.092 0.000 1.655) 5.354 8.401 ( 8.565 0.000 -5.272) 10.058 8.572 ( 4.632 0.000 -8.793) 9.938 8.589 ( 2.587 0.000 -11.096) 11.394 9.044 ( -2.545 0.000 -4.509) 5.177 9.721 ( -2.213 0.000 -2.268) 3.168 9.902 ( -2.893 0.000 -6.208) 6.849 9.982 ( -3.040 0.000 -5.601) 6.373 10.069 ( -0.326 0.000 -3.425) 3.441 10.139 ( 2.645 0.000 -3.040) 4.030 10.448 ( -1.695 0.000 6.956) 7.159 10.615 ( -1.986 0.000 0.364) 2.019 10.962 ( -0.834 0.000 -3.889) 3.977 10.986 ( -7.449 0.000 5.352) 9.172 11.220 ( -6.399 0.000 -9.175) 11.186 11.683 ( 11.042 0.000 -8.227) 13.770 11.892 ( 4.364 0.000 4.146) 6.019 12.334 ( -0.915 0.000 1.240) 1.541 12.458 ( 1.728 0.000 -4.679) 4.988 13.496 ( 6.058 0.000 8.516) 10.451 14.233 ( -8.108 0.000 12.201) 14.650 14.792 ( 4.337 0.000 0.912) 4.432 15.125 ( -0.152 0.000 -8.272) 8.274 ======================= Grid point 128 (43/140) ======================= q-point: ( 0.25 0.00 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 19.574 0.000 12.815) 23.396 1.530 ( 19.173 0.000 17.554) 25.995 2.740 ( 14.583 0.000 22.623) 26.916 2.932 ( 7.706 0.000 0.089) 7.707 3.106 ( -17.251 0.000 -0.614) 17.262 3.187 ( 6.410 0.000 12.521) 14.066 3.554 ( -3.399 0.000 11.663) 12.148 3.900 ( -0.321 0.000 1.145) 1.189 4.130 ( -7.005 0.000 5.744) 9.059 4.180 ( 9.102 0.000 10.182) 13.657 4.822 ( -8.167 0.000 12.743) 15.135 5.066 ( 6.380 0.000 -11.244) 12.928 5.285 ( -6.552 0.000 14.457) 15.872 5.591 ( 13.758 0.000 -7.742) 15.787 5.745 ( -17.501 0.000 2.170) 17.635 5.749 ( -3.550 0.000 -0.447) 3.578 5.858 ( -9.652 0.000 -4.856) 10.805 6.092 ( -2.192 0.000 -1.704) 2.776 6.228 ( 0.721 0.000 3.079) 3.163 6.375 ( -2.359 0.000 2.182) 3.214 6.680 ( -11.263 0.000 -3.099) 11.681 7.019 ( -11.800 0.000 -1.642) 11.914 7.513 ( 17.236 0.000 -9.601) 19.730 7.844 ( 4.267 0.000 -10.246) 11.099 8.016 ( 9.421 0.000 -0.137) 9.422 8.298 ( -3.629 0.000 -9.758) 10.412 8.614 ( -0.686 0.000 -13.926) 13.943 8.666 ( 12.329 0.000 -2.737) 12.629 8.718 ( 11.178 0.000 4.312) 11.981 8.940 ( -8.098 0.000 -2.563) 8.494 9.679 ( -1.795 0.000 -2.040) 2.717 9.830 ( -4.201 0.000 -5.567) 6.974 9.910 ( -3.965 0.000 -6.108) 7.283 10.044 ( -2.294 0.000 -1.411) 2.694 10.221 ( 5.552 0.000 -5.407) 7.750 10.411 ( -1.675 0.000 6.368) 6.584 10.578 ( -1.966 0.000 -3.941) 4.405 10.802 ( -10.632 0.000 6.178) 12.296 10.922 ( -1.784 0.000 -1.535) 2.353 11.151 ( -2.366 0.000 -2.510) 3.449 11.909 ( 12.144 0.000 -10.056) 15.767 11.994 ( 5.597 0.000 3.094) 6.395 12.307 ( -1.899 0.000 1.305) 2.305 12.480 ( 0.132 0.000 -7.459) 7.460 13.605 ( 4.564 0.000 10.073) 11.058 14.054 ( -9.436 0.000 14.650) 17.426 14.887 ( 5.112 0.000 -2.796) 5.826 15.118 ( -0.633 0.000 -7.965) 7.990 ======================= Grid point 129 (44/140) ======================= q-point: ( 0.38 0.00 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 26.355 0.000 4.804) 26.789 1.927 ( 21.068 0.000 12.437) 24.465 2.629 ( -17.566 0.000 6.703) 18.802 2.739 ( -19.902 0.000 4.111) 20.322 3.060 ( 6.916 0.000 -0.084) 6.917 3.365 ( -5.110 0.000 5.786) 7.720 3.732 ( 28.747 0.000 20.349) 35.220 3.904 ( 0.885 0.000 0.474) 1.004 4.013 ( -4.910 0.000 3.488) 6.023 4.415 ( 11.346 0.000 9.487) 14.790 4.697 ( -4.726 0.000 8.814) 10.001 5.128 ( -11.737 0.000 9.139) 14.875 5.210 ( 8.202 0.000 -6.983) 10.772 5.419 ( -11.186 0.000 13.315) 17.390 5.556 ( -8.520 0.000 -1.605) 8.670 5.611 ( -13.743 0.000 2.475) 13.964 5.932 ( 13.040 0.000 -7.117) 14.856 6.144 ( 5.497 0.000 -4.257) 6.953 6.213 ( -2.668 0.000 -0.107) 2.670 6.382 ( 4.072 0.000 2.596) 4.829 6.466 ( -10.416 0.000 -3.324) 10.933 6.774 ( -12.900 0.000 -3.902) 13.477 7.849 ( 16.545 0.000 -8.831) 18.754 7.955 ( 6.541 0.000 -11.890) 13.571 8.154 ( 4.359 0.000 -1.486) 4.606 8.206 ( -5.575 0.000 -12.763) 13.928 8.566 ( -3.125 0.000 -12.133) 12.529 8.751 ( -10.426 0.000 -2.711) 10.773 8.865 ( 9.053 0.000 0.447) 9.064 8.940 ( 8.412 0.000 6.647) 10.721 9.660 ( 0.075 0.000 -1.960) 1.962 9.748 ( -3.950 0.000 -4.261) 5.810 9.849 ( -1.444 0.000 -4.869) 5.079 9.976 ( -4.709 0.000 -0.443) 4.730 10.338 ( 5.951 0.000 -7.206) 9.346 10.399 ( 0.799 0.000 5.743) 5.798 10.527 ( -3.452 0.000 -7.338) 8.109 10.599 ( -9.480 0.000 6.365) 11.419 10.928 ( 2.475 0.000 0.991) 2.666 11.090 ( -3.979 0.000 0.636) 4.029 12.100 ( 5.126 0.000 2.254) 5.600 12.144 ( 11.506 0.000 -10.711) 15.720 12.259 ( -2.979 0.000 1.444) 3.310 12.451 ( -3.449 0.000 -9.369) 9.984 13.679 ( 3.524 0.000 12.438) 12.927 13.884 ( -7.728 0.000 14.835) 16.727 14.981 ( 4.365 0.000 -4.976) 6.619 15.097 ( -1.595 0.000 -7.357) 7.528 ======================= Grid point 130 (45/140) ======================= q-point: (-0.50 0.00 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -24.975 0.000 3.606) 25.234 2.202 ( 24.975 0.000 3.606) 25.234 2.339 ( -20.985 0.000 8.217) 22.536 2.339 ( 20.985 0.000 8.217) 22.536 3.214 ( -8.455 0.000 2.561) 8.835 3.214 ( 8.455 0.000 2.561) 8.835 3.939 ( -2.754 0.000 1.473) 3.123 3.939 ( 2.754 0.000 1.473) 3.123 4.279 ( -23.110 0.000 13.351) 26.689 4.279 ( 23.110 0.000 13.351) 26.689 4.835 ( -15.443 0.000 6.468) 16.743 4.835 ( 15.443 0.000 6.468) 16.743 5.380 ( -9.119 0.000 -3.429) 9.743 5.380 ( 9.119 0.000 -3.429) 9.743 5.393 ( -6.768 0.000 11.974) 13.755 5.393 ( 6.768 0.000 11.974) 13.755 6.125 ( -6.685 0.000 -3.170) 7.399 6.125 ( 6.685 0.000 -3.170) 7.399 6.281 ( -8.387 0.000 -4.031) 9.306 6.281 ( 8.387 0.000 -4.031) 9.306 6.535 ( -10.941 0.000 -2.145) 11.149 6.535 ( 10.941 0.000 -2.145) 11.149 8.086 ( -6.641 0.000 -12.975) 14.575 8.086 ( 6.641 0.000 -12.975) 14.575 8.117 ( -9.226 0.000 -6.179) 11.104 8.117 ( 9.226 0.000 -6.179) 11.104 8.578 ( -5.746 0.000 -6.222) 8.470 8.578 ( 5.746 0.000 -6.222) 8.470 8.994 ( -2.910 0.000 4.047) 4.984 8.994 ( 2.910 0.000 4.047) 4.984 9.685 ( -2.386 0.000 -2.752) 3.643 9.685 ( 2.386 0.000 -2.752) 3.643 9.879 ( -4.244 0.000 -1.886) 4.644 9.879 ( 4.244 0.000 -1.886) 4.644 10.445 ( -4.919 0.000 -8.003) 9.394 10.445 ( 4.919 0.000 -8.003) 9.394 10.454 ( -5.123 0.000 5.891) 7.807 10.454 ( 5.123 0.000 5.891) 7.807 11.003 ( -4.643 0.000 1.615) 4.916 11.003 ( 4.643 0.000 1.615) 4.916 12.190 ( -4.107 0.000 1.727) 4.456 12.190 ( 4.107 0.000 1.727) 4.456 12.339 ( -8.051 0.000 -10.495) 13.227 12.339 ( 8.051 0.000 -10.495) 13.227 13.759 ( -5.046 0.000 14.054) 14.933 13.759 ( 5.046 0.000 14.054) 14.933 15.053 ( -2.970 0.000 -6.389) 7.046 15.053 ( 2.970 0.000 -6.389) 7.046 ======================= Grid point 135 (46/140) ======================= q-point: ( 0.00 0.14 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 0.000 11.009 24.288) 26.667 1.337 ( 0.000 19.096 22.711) 29.672 2.063 ( 0.000 24.670 35.795) 43.473 2.754 ( 0.000 -7.114 3.163) 7.786 3.113 ( 0.000 -6.512 12.327) 13.941 3.532 ( 0.000 2.298 -7.564) 7.905 3.599 ( 0.000 -0.461 12.643) 12.652 3.894 ( 0.000 -2.800 6.902) 7.448 3.983 ( 0.000 -8.781 4.914) 10.062 4.396 ( 0.000 0.993 8.553) 8.611 4.910 ( 0.000 -11.998 4.677) 12.877 4.976 ( 0.000 -4.141 -7.771) 8.806 5.059 ( 0.000 -1.422 -2.274) 2.682 5.508 ( 0.000 -2.462 16.993) 17.170 5.656 ( 0.000 -13.797 -2.382) 14.001 5.921 ( 0.000 -2.951 -7.477) 8.038 6.179 ( 0.000 1.655 -2.818) 3.268 6.201 ( 0.000 6.204 -7.177) 9.487 6.506 ( 0.000 4.053 -1.980) 4.511 6.847 ( 0.000 1.516 -2.922) 3.292 6.909 ( 0.000 7.156 -4.913) 8.680 7.217 ( 0.000 2.178 0.414) 2.217 7.291 ( 0.000 -0.016 -0.866) 0.866 7.303 ( 0.000 -2.352 2.955) 3.777 7.782 ( 0.000 -8.730 0.454) 8.742 8.160 ( 0.000 -0.338 -2.073) 2.100 8.238 ( 0.000 -9.536 -8.820) 12.990 8.343 ( 0.000 -2.883 0.828) 2.999 8.868 ( 0.000 12.801 -11.631) 17.296 9.096 ( 0.000 3.069 -5.542) 6.335 9.688 ( 0.000 -4.441 -2.887) 5.297 9.914 ( 0.000 -4.815 -6.227) 7.871 10.003 ( 0.000 -0.835 -5.041) 5.110 10.042 ( 0.000 1.527 -4.114) 4.388 10.144 ( 0.000 2.408 -1.311) 2.742 10.568 ( 0.000 8.234 7.959) 11.452 10.716 ( 0.000 7.018 -1.024) 7.092 10.864 ( 0.000 -6.996 6.397) 9.480 11.037 ( 0.000 -0.652 0.199) 0.682 11.168 ( 0.000 -14.137 -15.897) 21.274 11.509 ( 0.000 0.005 0.693) 0.693 11.913 ( 0.000 6.523 6.365) 9.114 12.436 ( 0.000 10.973 -6.124) 12.566 12.588 ( 0.000 1.899 -3.372) 3.870 13.493 ( 0.000 6.121 8.260) 10.281 14.427 ( 0.000 8.703 0.992) 8.759 14.748 ( 0.000 0.485 3.375) 3.410 15.042 ( 0.000 -7.882 -7.954) 11.198 ======================= Grid point 136 (47/140) ======================= q-point: ( 0.12 0.14 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -0.807 12.785 22.465) 25.861 1.460 ( 10.512 19.462 20.116) 29.898 2.387 ( 26.923 18.396 31.033) 45.014 2.782 ( 2.873 -6.138 1.616) 6.968 3.127 ( 0.743 -6.302 11.448) 13.089 3.406 ( -11.280 1.317 -4.174) 12.099 3.552 ( -4.631 -2.302 11.012) 12.166 3.934 ( 4.341 0.469 5.227) 6.811 4.006 ( 1.327 -6.451 6.662) 9.368 4.324 ( -6.255 1.978 9.165) 11.271 4.840 ( -3.798 -9.762 -1.106) 10.533 4.942 ( -2.224 -6.035 2.416) 6.871 5.249 ( 13.704 -2.150 -5.379) 14.878 5.426 ( -6.067 -0.086 16.012) 17.123 5.646 ( -1.217 -13.090 -1.344) 13.214 5.924 ( -0.082 -2.932 -6.297) 6.947 6.077 ( -9.986 2.574 -2.060) 10.516 6.170 ( -3.847 3.748 -4.926) 7.288 6.467 ( -6.258 4.168 -0.925) 7.575 6.543 ( -13.208 11.217 2.793) 17.552 6.888 ( -8.989 -0.818 -2.996) 9.511 7.171 ( 1.074 -1.017 -5.535) 5.729 7.236 ( 3.487 1.051 -0.750) 3.719 7.577 ( 4.966 -11.972 -2.314) 13.166 7.887 ( 12.590 2.571 -5.157) 13.846 8.253 ( 4.232 -6.195 -4.826) 8.921 8.354 ( 12.838 -3.201 -3.669) 13.730 8.374 ( 3.956 -4.885 -1.422) 6.445 8.860 ( -0.263 11.900 -10.437) 15.831 9.077 ( -2.517 2.992 -4.414) 5.896 9.656 ( -2.709 -4.751 -2.457) 5.996 9.875 ( -3.017 -4.910 -6.529) 8.709 9.988 ( -1.809 1.666 -4.134) 4.810 10.095 ( 4.121 2.854 -5.403) 7.370 10.135 ( -0.308 0.566 -1.768) 1.882 10.524 ( -4.210 6.044 8.846) 11.511 10.681 ( -3.133 4.889 -2.235) 6.222 10.831 ( -3.510 -5.581 7.354) 9.876 11.036 ( -2.006 1.942 -2.794) 3.950 11.116 ( -1.418 -9.616 -11.994) 15.438 11.612 ( 8.211 -4.186 -0.226) 9.219 11.919 ( 0.729 4.880 6.465) 8.133 12.454 ( 1.601 11.591 -6.155) 13.221 12.603 ( 1.375 3.164 -3.605) 4.990 13.536 ( 3.770 4.041 8.575) 10.201 14.324 ( -9.091 8.229 5.260) 13.343 14.789 ( 3.420 -0.374 0.499) 3.476 15.043 ( 0.008 -7.744 -7.894) 11.058 ======================= Grid point 137 (48/140) ======================= q-point: ( 0.25 0.14 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 16.829 10.534 12.342) 23.377 1.725 ( 16.021 15.922 15.955) 27.654 2.851 ( 6.837 8.440 14.462) 18.087 2.870 ( 8.468 -4.273 2.278) 9.755 3.084 ( -11.491 -2.999 3.417) 12.358 3.227 ( 6.179 4.187 10.459) 12.849 3.467 ( -1.391 -3.838 10.483) 11.249 3.986 ( -0.666 2.864 4.874) 5.693 4.085 ( 6.308 -1.299 5.143) 8.242 4.215 ( -1.583 1.299 10.192) 10.396 4.758 ( -4.473 -6.096 7.667) 10.768 4.947 ( 2.652 -7.743 -4.330) 9.259 5.271 ( -6.900 -1.808 14.674) 16.315 5.552 ( 10.866 -3.213 -6.699) 13.163 5.614 ( -0.090 -8.194 -0.857) 8.239 5.800 ( -16.804 3.605 3.537) 17.547 5.916 ( -0.812 -2.814 -6.269) 6.920 6.039 ( -8.620 3.368 -1.443) 9.367 6.287 ( -6.366 -0.920 3.158) 7.166 6.454 ( -1.981 9.684 -2.278) 10.144 6.730 ( -7.141 3.541 -1.008) 8.034 6.988 ( -12.434 -2.316 -3.273) 13.064 7.491 ( 15.227 -2.140 -7.847) 17.264 7.654 ( 4.832 -13.463 -6.060) 15.534 8.094 ( 8.036 3.649 -6.001) 10.672 8.276 ( -1.057 -1.421 -7.422) 7.631 8.490 ( 5.584 -5.562 -7.663) 10.993 8.637 ( 13.945 -3.581 0.646) 14.412 8.881 ( 2.681 10.308 -5.739) 12.098 8.986 ( -6.327 4.011 -1.799) 7.705 9.608 ( -1.675 -4.738 -2.402) 5.570 9.811 ( -3.515 -3.564 -7.506) 9.022 9.944 ( -2.344 2.429 -3.274) 4.703 10.097 ( -1.686 3.571 -0.945) 4.060 10.202 ( 3.931 0.817 -5.887) 7.126 10.428 ( -4.880 1.500 8.481) 9.899 10.598 ( -5.304 -2.507 -1.255) 6.000 10.748 ( -4.260 1.864 2.001) 5.063 10.974 ( -2.217 1.387 -3.832) 4.639 11.126 ( 0.398 -2.181 -5.510) 5.939 11.775 ( 7.891 -7.905 -0.080) 11.170 11.942 ( 1.464 0.430 5.622) 5.826 12.494 ( 2.561 13.413 -6.125) 14.966 12.633 ( 1.355 5.918 -4.293) 7.435 13.613 ( 3.755 1.761 9.882) 10.717 14.123 ( -10.737 6.842 9.436) 15.847 14.864 ( 4.038 -2.221 -2.638) 5.310 15.041 ( -0.298 -7.299 -7.644) 10.574 ======================= Grid point 138 (49/140) ======================= q-point: ( 0.38 0.14 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 24.380 6.439 5.417) 25.791 2.059 ( 17.568 10.913 11.715) 23.769 2.692 ( -18.095 6.009 5.563) 19.862 2.771 ( -16.590 2.850 4.270) 17.367 2.999 ( 7.233 -5.477 0.529) 9.089 3.285 ( -5.308 -5.884 5.777) 9.806 3.800 ( 28.186 6.880 17.485) 33.875 3.972 ( -0.057 3.258 2.823) 4.311 4.065 ( -2.853 4.329 3.267) 6.128 4.404 ( 14.517 -1.646 9.019) 17.170 4.657 ( -6.747 -3.469 6.768) 10.167 4.990 ( -2.571 -12.462 -1.626) 12.828 5.132 ( -4.538 -1.747 9.873) 11.006 5.430 ( -16.282 -0.356 8.663) 18.446 5.550 ( -1.344 0.676 3.321) 3.646 5.715 ( -5.727 4.877 -1.486) 7.668 5.927 ( 5.193 -2.638 -6.158) 8.476 5.967 ( 2.069 -5.369 -1.389) 5.920 6.215 ( -0.343 -9.225 -0.172) 9.233 6.423 ( -1.931 10.156 -4.033) 11.097 6.615 ( -4.308 6.839 0.209) 8.086 6.746 ( -11.434 -0.539 -4.188) 12.189 7.759 ( 8.344 -11.331 -9.677) 17.079 7.768 ( 8.515 -9.880 -6.598) 14.616 8.201 ( 2.187 2.365 -10.170) 10.668 8.270 ( 2.136 4.106 -6.402) 7.900 8.539 ( 0.100 -1.688 -9.429) 9.579 8.743 ( -6.519 -1.605 -3.569) 7.604 8.942 ( 6.074 5.698 -0.100) 8.329 8.977 ( 5.169 4.845 3.677) 7.982 9.604 ( 1.438 -3.344 -2.778) 4.579 9.737 ( -4.001 -1.363 -6.715) 7.934 9.916 ( 0.101 3.657 -2.411) 4.381 10.051 ( -3.476 5.636 -0.060) 6.622 10.224 ( -0.733 -5.580 0.172) 5.630 10.341 ( -5.210 -5.247 4.185) 8.496 10.532 ( 0.541 -0.643 -2.098) 2.260 10.670 ( -4.011 5.368 -3.433) 7.529 10.975 ( 2.183 2.978 -1.313) 3.919 11.106 ( -2.501 0.838 -2.814) 3.857 11.903 ( 4.922 -9.899 0.757) 11.081 11.967 ( 0.819 -4.813 3.849) 6.217 12.553 ( 3.380 14.482 -6.113) 16.079 12.645 ( -0.340 9.224 -5.199) 10.594 13.685 ( 3.938 1.707 11.121) 11.921 13.927 ( -8.982 5.011 11.005) 15.063 14.939 ( 3.483 -4.008 -4.714) 7.100 15.028 ( -1.091 -6.532 -7.089) 9.701 ======================= Grid point 139 (50/140) ======================= q-point: (-0.50 0.14 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( -19.083 2.490 4.611) 19.790 2.216 ( 19.083 2.490 4.611) 19.790 2.455 ( -12.560 9.772 6.947) 17.363 2.455 ( 12.560 9.772 6.947) 17.363 3.149 ( -7.826 -5.310 3.266) 10.005 3.149 ( 7.826 -5.310 3.266) 10.005 3.987 ( -1.807 3.256 2.637) 4.563 3.987 ( 1.807 3.256 2.637) 4.563 4.345 ( -21.236 5.488 10.029) 24.117 4.345 ( 21.236 5.488 10.029) 24.117 4.754 ( -15.814 -7.584 5.333) 18.331 4.754 ( 15.814 -7.584 5.333) 18.331 5.197 ( -7.881 -5.600 7.633) 12.318 5.197 ( 7.881 -5.600 7.633) 12.318 5.581 ( -4.977 6.834 4.187) 9.435 5.581 ( 4.977 6.834 4.187) 9.435 5.990 ( -1.854 -8.150 -2.534) 8.734 5.990 ( 1.854 -8.150 -2.534) 8.734 6.321 ( -8.582 -1.821 -6.364) 10.838 6.321 ( 8.582 -1.821 -6.364) 10.838 6.595 ( -3.153 7.212 -0.834) 7.915 6.595 ( 3.153 7.212 -0.834) 7.915 7.851 ( -1.827 -13.396 -8.760) 16.110 7.851 ( 1.827 -13.396 -8.760) 16.110 8.263 ( -4.098 5.652 -9.389) 11.700 8.263 ( 4.098 5.652 -9.389) 11.700 8.588 ( -6.464 0.522 -5.912) 8.775 8.588 ( 6.464 0.522 -5.912) 8.775 9.029 ( -1.162 3.455 2.674) 4.521 9.029 ( 1.162 3.455 2.674) 4.521 9.659 ( -3.803 -1.355 -4.193) 5.820 9.659 ( 3.803 -1.355 -4.193) 5.820 9.963 ( -4.464 5.873 -0.911) 7.433 9.963 ( 4.464 5.873 -0.911) 7.433 10.244 ( -3.395 -9.550 3.136) 10.610 10.244 ( 3.395 -9.550 3.136) 10.610 10.590 ( -4.045 4.350 -4.379) 7.380 10.590 ( 4.045 4.350 -4.379) 7.380 11.040 ( -3.839 2.655 -1.276) 4.839 11.040 ( 3.839 2.655 -1.276) 4.839 11.964 ( -1.444 -8.744 2.104) 9.108 11.964 ( 1.444 -8.744 2.104) 9.108 12.615 ( -2.613 12.649 -5.879) 14.191 12.615 ( 2.613 12.649 -5.879) 14.191 13.780 ( -6.078 3.118 11.456) 13.338 13.780 ( 6.078 3.118 11.456) 13.338 14.995 ( -2.292 -5.443 -6.138) 8.518 14.995 ( 2.292 -5.443 -6.138) 8.518 ======================= Grid point 144 (51/140) ======================= q-point: ( 0.00 0.29 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 0.000 16.628 16.363) 23.329 1.738 ( 0.000 19.413 20.848) 28.487 2.529 ( 0.000 -8.966 2.623) 9.342 2.775 ( 0.000 34.577 20.350) 40.121 2.911 ( 0.000 -12.978 13.770) 18.922 3.528 ( 0.000 -3.641 -5.499) 6.595 3.583 ( 0.000 -2.278 10.470) 10.715 3.833 ( 0.000 -0.640 8.758) 8.782 3.849 ( 0.000 -2.601 2.319) 3.485 4.357 ( 0.000 -4.990 8.358) 9.734 4.668 ( 0.000 -8.950 13.176) 15.928 4.928 ( 0.000 0.279 1.557) 1.581 5.079 ( 0.000 1.996 -5.760) 6.096 5.292 ( 0.000 -20.810 1.444) 20.860 5.470 ( 0.000 -0.545 17.025) 17.034 5.803 ( 0.000 -7.206 -4.265) 8.373 6.265 ( 0.000 5.070 -8.917) 10.257 6.316 ( 0.000 3.845 -8.628) 9.446 6.625 ( 0.000 6.964 -5.972) 9.174 6.883 ( 0.000 1.812 -1.619) 2.430 6.944 ( 0.000 -1.859 -4.149) 4.547 7.191 ( 0.000 -7.484 -1.975) 7.740 7.251 ( 0.000 -2.167 1.837) 2.841 7.297 ( 0.000 0.589 -1.875) 1.965 7.696 ( 0.000 2.804 0.765) 2.906 8.130 ( 0.000 -3.194 -0.634) 3.256 8.139 ( 0.000 -0.892 -7.877) 7.927 8.274 ( 0.000 -3.147 -0.878) 3.267 9.081 ( 0.000 7.915 -8.064) 11.300 9.174 ( 0.000 3.845 -5.205) 6.471 9.609 ( 0.000 -2.373 -3.001) 3.826 9.781 ( 0.000 -6.252 -5.111) 8.075 9.998 ( 0.000 0.681 -5.580) 5.621 10.099 ( 0.000 1.931 -2.343) 3.036 10.210 ( 0.000 4.033 -1.731) 4.389 10.714 ( 0.000 4.657 7.941) 9.206 10.739 ( 0.000 -6.762 -3.818) 7.765 10.845 ( 0.000 -10.843 2.201) 11.065 10.931 ( 0.000 12.095 -6.771) 13.861 11.079 ( 0.000 1.586 -4.938) 5.187 11.532 ( 0.000 3.319 1.739) 3.747 12.110 ( 0.000 11.902 8.814) 14.811 12.440 ( 0.000 -13.608 0.456) 13.616 12.645 ( 0.000 5.229 -6.361) 8.234 13.665 ( 0.000 11.467 6.861) 13.362 14.615 ( 0.000 7.961 -5.501) 9.677 14.726 ( 0.000 -6.720 -2.976) 7.350 14.835 ( 0.000 -7.786 -2.737) 8.253 ======================= Grid point 145 (52/140) ======================= q-point: ( 0.12 0.29 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 0.456 18.883 14.874) 24.042 1.870 ( 10.113 18.962 18.381) 28.279 2.576 ( 4.397 -10.931 0.564) 11.796 2.917 ( 3.779 -2.678 12.521) 13.350 2.966 ( 14.079 21.086 18.650) 31.475 3.428 ( -7.389 0.847 -1.176) 7.530 3.532 ( -5.743 -0.533 9.643) 11.236 3.868 ( 2.011 -5.303 6.525) 8.645 3.918 ( 7.119 -1.786 4.591) 8.658 4.301 ( -5.050 -4.099 8.043) 10.344 4.658 ( -0.907 -7.027 10.278) 12.484 4.877 ( -2.696 0.652 1.379) 3.098 5.192 ( 6.339 -4.308 0.190) 7.667 5.303 ( 1.941 -16.436 0.955) 16.577 5.449 ( -0.274 1.060 11.165) 11.218 5.808 ( -0.011 -7.213 -2.622) 7.675 6.161 ( -10.066 4.976 -5.859) 12.666 6.259 ( -6.014 2.843 -7.562) 10.071 6.584 ( -7.682 7.041 -5.402) 11.738 6.719 ( -10.337 5.376 0.546) 11.664 6.863 ( -5.938 -1.616 -0.745) 6.199 7.140 ( -2.623 -4.098 -6.537) 8.149 7.243 ( 2.155 -0.227 0.210) 2.177 7.335 ( 1.688 -8.223 -1.483) 8.524 7.929 ( 15.867 2.151 -4.883) 16.740 8.181 ( 4.790 -0.424 -6.278) 7.908 8.258 ( 7.624 -5.710 -1.592) 9.657 8.316 ( 7.545 -1.708 -1.878) 7.960 9.070 ( -0.501 8.186 -7.504) 11.116 9.155 ( -2.104 4.071 -3.986) 6.074 9.577 ( -2.672 -2.051 -3.606) 4.935 9.748 ( -2.864 -5.933 -3.932) 7.672 10.012 ( 0.054 -0.025 -3.334) 3.334 10.113 ( 0.405 -0.725 -2.906) 3.022 10.222 ( 2.718 6.444 -4.341) 8.231 10.633 ( -7.492 3.447 9.761) 12.778 10.694 ( -6.982 -1.330 5.114) 8.756 10.802 ( 0.838 -8.432 -11.490) 14.276 10.950 ( -1.128 3.974 -6.458) 7.666 11.103 ( 2.358 3.450 -3.362) 5.363 11.581 ( 4.647 2.345 2.964) 5.990 12.103 ( -0.727 11.911 9.178) 15.055 12.476 ( 3.414 -12.675 1.075) 13.171 12.667 ( 2.076 4.598 -5.940) 7.793 13.684 ( 1.949 11.237 6.660) 13.207 14.521 ( -8.449 9.170 -2.514) 12.720 14.745 ( 1.461 -7.578 -4.452) 8.910 14.838 ( 0.193 -7.921 -3.152) 8.528 ======================= Grid point 146 (53/140) ======================= q-point: ( 0.25 0.29 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 12.486 17.692 9.109) 23.492 2.088 ( 11.882 17.436 15.130) 25.964 2.686 ( 6.544 -11.264 -0.517) 13.037 2.927 ( -2.032 -8.106 6.035) 10.308 3.152 ( -6.765 12.884 6.381) 15.890 3.325 ( -4.901 3.909 7.022) 9.413 3.539 ( 17.545 12.205 14.687) 25.933 3.905 ( 1.832 -6.630 6.829) 9.693 4.083 ( 8.276 -7.215 8.032) 13.604 4.199 ( -3.364 1.046 4.718) 5.888 4.639 ( -0.996 -3.873 5.992) 7.204 4.842 ( -1.315 -2.167 3.082) 3.990 5.177 ( -4.866 -7.489 10.903) 14.094 5.401 ( 5.188 -8.719 3.472) 10.723 5.547 ( 9.475 0.755 -4.606) 10.563 5.795 ( -1.181 -6.329 -0.811) 6.490 5.899 ( -15.452 4.863 -1.390) 16.259 6.095 ( -9.875 -0.269 -2.913) 10.299 6.308 ( -14.918 4.184 -0.909) 15.520 6.654 ( -2.292 6.955 -3.828) 8.264 6.750 ( -5.622 -1.706 1.367) 6.032 6.984 ( -7.847 2.716 -6.013) 10.252 7.372 ( 4.185 -12.104 -3.611) 13.307 7.427 ( 9.644 -3.909 -4.474) 11.327 8.149 ( 7.622 2.054 -8.921) 11.912 8.249 ( 2.115 -1.446 -5.653) 6.207 8.412 ( 8.581 -1.828 -5.859) 10.550 8.554 ( 12.297 -3.950 -1.612) 13.016 9.078 ( -0.096 6.673 -2.378) 7.085 9.098 ( -1.639 7.681 -4.520) 9.062 9.535 ( -0.955 -1.753 -4.710) 5.115 9.690 ( -2.607 -6.385 -3.642) 7.799 9.992 ( -1.572 1.056 -0.995) 2.139 10.088 ( -2.146 -3.422 -0.226) 4.045 10.317 ( 3.914 8.126 -7.126) 11.495 10.458 ( -8.849 0.842 10.184) 13.518 10.523 ( -8.849 -1.879 2.710) 9.444 10.844 ( 1.112 0.160 -8.611) 8.684 10.904 ( -1.378 -2.238 -9.079) 9.452 11.137 ( 0.475 2.050 -4.578) 5.038 11.694 ( 6.533 1.946 4.990) 8.448 12.078 ( -2.000 11.266 9.660) 14.974 12.558 ( 4.645 -10.149 2.155) 11.368 12.713 ( 2.166 2.590 -4.207) 5.395 13.737 ( 3.439 11.338 5.922) 13.246 14.324 ( -10.947 11.278 0.636) 15.730 14.777 ( 1.735 -8.856 -5.296) 10.464 14.841 ( 0.151 -8.803 -4.100) 9.712 ======================= Grid point 147 (54/140) ======================= q-point: ( 0.38 0.29 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 19.251 12.910 4.762) 23.664 2.313 ( 10.034 12.274 11.027) 19.311 2.788 ( -0.703 -6.389 1.268) 6.552 2.815 ( -9.521 0.874 3.084) 10.046 2.956 ( -4.407 10.132 4.681) 12.000 3.203 ( -6.922 0.181 8.275) 10.790 3.912 ( 6.129 -6.534 4.577) 10.060 4.003 ( 10.638 4.747 10.168) 15.462 4.103 ( 5.810 -2.474 6.693) 9.202 4.341 ( 12.021 -0.705 5.047) 13.057 4.609 ( -2.542 -0.329 4.258) 4.970 4.797 ( -4.561 -5.522 4.760) 8.600 5.094 ( -1.795 -1.257 10.450) 10.678 5.469 ( -11.825 3.392 3.849) 12.890 5.522 ( 0.378 -2.481 6.811) 7.259 5.765 ( -0.990 0.626 -2.716) 2.958 5.798 ( 1.180 -5.294 -3.739) 6.588 5.962 ( 0.820 -3.081 -0.487) 3.225 6.062 ( -8.500 -1.813 -1.444) 8.811 6.478 ( -13.236 -6.065 -3.560) 14.989 6.737 ( 2.391 9.057 -1.888) 9.556 6.872 ( -4.309 9.630 -3.342) 11.066 7.465 ( 5.449 -13.852 -6.717) 16.330 7.572 ( 3.689 -10.294 -5.634) 12.301 8.260 ( 4.888 3.120 -9.802) 11.389 8.329 ( 5.611 1.723 -6.621) 8.848 8.516 ( 2.132 -0.417 -7.015) 7.343 8.682 ( -1.040 -3.729 -4.407) 5.866 9.067 ( 2.912 6.757 2.147) 7.664 9.137 ( 2.224 8.972 -3.848) 10.013 9.554 ( 2.811 -1.992 -5.822) 6.765 9.656 ( -1.066 -5.973 -5.929) 8.483 9.973 ( 0.334 1.867 1.174) 2.231 10.057 ( -0.462 -5.315 3.697) 6.490 10.212 ( -9.688 2.853 5.313) 11.411 10.278 ( -10.566 -0.619 6.051) 12.192 10.533 ( 6.745 2.369 -7.019) 10.019 10.781 ( -5.225 5.454 -7.162) 10.408 10.960 ( 4.632 -5.129 -9.397) 11.665 11.117 ( -2.415 -0.507 -6.406) 6.865 11.822 ( 6.336 3.504 6.680) 9.851 12.023 ( -3.673 9.294 9.401) 13.720 12.646 ( 4.224 -7.094 2.474) 8.619 12.737 ( 0.128 -0.532 -1.312) 1.422 13.821 ( 5.244 12.241 4.586) 14.084 14.117 ( -9.908 12.603 2.219) 16.184 14.810 ( 1.510 -9.669 -5.614) 11.282 14.842 ( -0.161 -9.697 -5.020) 10.921 ======================= Grid point 148 (55/140) ======================= q-point: (-0.50 0.29 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -13.884 7.149 4.856) 16.354 2.319 ( 13.884 7.149 4.856) 16.354 2.685 ( -4.152 9.239 4.395) 11.041 2.685 ( 4.152 9.239 4.395) 11.041 3.053 ( -8.167 -0.958 6.125) 10.253 3.053 ( 8.167 -0.958 6.125) 10.253 3.980 ( -3.355 -7.077 4.292) 8.931 3.980 ( 3.355 -7.077 4.292) 8.931 4.417 ( -11.371 0.628 2.372) 11.633 4.417 ( 11.371 0.628 2.372) 11.633 4.637 ( -10.023 -0.717 8.025) 12.860 4.637 ( 10.023 -0.717 8.025) 12.860 5.176 ( -10.855 3.417 9.233) 14.654 5.176 ( 10.855 3.417 9.233) 14.654 5.643 ( -7.464 -1.419 5.336) 9.284 5.643 ( 7.464 -1.419 5.336) 9.284 5.868 ( -6.088 -2.397 -3.282) 7.320 5.868 ( 6.088 -2.397 -3.282) 7.320 6.205 ( -13.973 -7.852 -4.736) 16.713 6.205 ( 13.973 -7.852 -4.736) 16.713 6.797 ( -3.516 10.951 -2.211) 11.712 6.797 ( 3.516 10.951 -2.211) 11.712 7.563 ( -3.749 -13.805 -7.177) 16.004 7.563 ( 3.749 -13.805 -7.177) 16.004 8.360 ( -3.748 4.177 -8.492) 10.179 8.360 ( 3.748 4.177 -8.492) 10.179 8.581 ( -6.187 -1.440 -5.746) 8.565 8.581 ( 6.187 -1.440 -5.746) 8.565 9.140 ( -2.411 7.096 -0.312) 7.501 9.140 ( 2.411 7.096 -0.312) 7.501 9.621 ( -3.073 -3.317 -7.449) 8.714 9.621 ( 3.073 -3.317 -7.449) 8.714 10.032 ( -5.393 -0.810 4.618) 7.146 10.032 ( 5.393 -0.810 4.618) 7.146 10.115 ( -4.534 -1.422 6.099) 7.731 10.115 ( 4.534 -1.422 6.099) 7.731 10.666 ( -6.467 4.169 -7.795) 10.952 10.666 ( 6.467 4.169 -7.795) 10.952 11.050 ( -4.271 -2.738 -7.880) 9.372 11.050 ( 4.271 -2.738 -7.880) 9.372 11.936 ( -5.206 6.342 8.250) 11.636 11.936 ( 5.206 6.342 8.250) 11.636 12.714 ( -2.486 -3.933 1.307) 4.833 12.714 ( 2.486 -3.933 1.307) 4.833 13.945 ( -7.600 12.935 3.238) 15.348 13.945 ( 7.600 12.935 3.238) 15.348 14.833 ( -0.826 -9.995 -5.544) 11.460 14.833 ( 0.826 -9.995 -5.544) 11.460 ======================= Grid point 153 (56/140) ======================= q-point: ( 0.00 0.43 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 0.000 17.396 8.970) 19.573 2.155 ( 0.000 19.885 17.104) 26.229 2.258 ( 0.000 -14.464 3.778) 14.950 2.575 ( 0.000 -18.761 14.976) 24.005 3.421 ( 0.000 10.456 8.843) 13.694 3.448 ( 0.000 -2.097 -1.539) 2.601 3.570 ( 0.000 13.327 6.671) 14.903 3.811 ( 0.000 -3.859 5.654) 6.846 3.923 ( 0.000 9.535 12.196) 15.481 4.192 ( 0.000 -11.352 9.733) 14.954 4.576 ( 0.000 1.347 8.355) 8.463 4.798 ( 0.000 -18.821 5.189) 19.523 5.019 ( 0.000 2.780 4.287) 5.110 5.088 ( 0.000 -1.933 0.970) 2.162 5.512 ( 0.000 4.764 8.429) 9.682 5.647 ( 0.000 -7.459 0.414) 7.470 6.347 ( 0.000 2.350 -10.333) 10.597 6.361 ( 0.000 0.784 -9.788) 9.819 6.770 ( 0.000 6.383 -6.441) 9.068 6.879 ( 0.000 -4.124 -4.462) 6.075 6.927 ( 0.000 2.859 -1.035) 3.041 7.025 ( 0.000 -6.866 -1.752) 7.086 7.229 ( 0.000 0.291 0.065) 0.298 7.262 ( 0.000 -2.518 -1.751) 3.067 7.839 ( 0.000 8.738 0.460) 8.750 8.014 ( 0.000 -7.511 0.744) 7.548 8.165 ( 0.000 2.554 -6.048) 6.565 8.219 ( 0.000 -2.436 -3.878) 4.579 9.203 ( 0.000 3.696 -5.414) 6.555 9.231 ( 0.000 1.016 -4.982) 5.084 9.601 ( 0.000 1.619 -3.123) 3.518 9.668 ( 0.000 -4.500 -4.351) 6.260 10.036 ( 0.000 2.808 -4.611) 5.399 10.095 ( 0.000 -2.100 -1.630) 2.659 10.322 ( 0.000 6.998 -4.237) 8.181 10.512 ( 0.000 -11.257 -10.071) 15.105 10.769 ( 0.000 0.971 5.914) 5.993 10.773 ( 0.000 -0.081 7.818) 7.818 11.109 ( 0.000 3.575 -8.207) 8.951 11.116 ( 0.000 1.511 -6.196) 6.378 11.715 ( 0.000 14.800 3.048) 15.110 12.086 ( 0.000 -18.892 1.782) 18.976 12.380 ( 0.000 13.103 8.375) 15.551 12.611 ( 0.000 -7.724 3.032) 8.298 13.993 ( 0.000 19.133 -0.726) 19.147 14.406 ( 0.000 -19.294 -5.695) 20.117 14.738 ( 0.000 3.918 -4.032) 5.622 14.787 ( 0.000 -1.172 -0.800) 1.419 ======================= Grid point 154 (57/140) ======================= q-point: ( 0.12 0.43 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 2.119 19.334 8.227) 21.118 2.256 ( 8.502 17.994 15.407) 25.169 2.291 ( 3.514 -15.832 2.967) 16.487 2.622 ( 4.322 -16.527 12.878) 21.393 3.398 ( -0.962 3.988 1.296) 4.303 3.478 ( -1.105 -4.361 3.233) 5.540 3.631 ( 8.178 21.198 9.808) 24.747 3.855 ( 3.224 -4.158 7.992) 9.568 3.879 ( -3.658 8.243 11.151) 14.341 4.163 ( -1.652 -10.383 8.413) 13.466 4.581 ( 0.475 1.285 7.565) 7.688 4.778 ( -1.726 -15.365 4.928) 16.228 5.045 ( 2.620 2.695 4.806) 6.102 5.145 ( 4.731 -4.637 3.923) 7.698 5.516 ( 1.096 5.094 4.891) 7.146 5.650 ( 0.318 -7.403 0.099) 7.411 6.250 ( -9.454 3.086 -8.022) 12.777 6.284 ( -8.010 -0.190 -8.400) 11.609 6.741 ( -13.049 7.232 -3.538) 15.332 6.796 ( -1.800 3.343 -2.925) 4.793 6.823 ( -7.067 -1.908 -0.211) 7.323 6.960 ( -1.195 -10.263 -6.363) 12.134 7.250 ( -0.037 0.819 -0.267) 0.862 7.268 ( 2.602 -0.981 -0.346) 2.802 7.999 ( 11.783 4.791 -3.992) 13.331 8.119 ( 6.713 -6.238 -3.225) 9.715 8.222 ( 7.050 2.522 -4.334) 8.651 8.277 ( 6.981 -2.289 -3.385) 8.089 9.195 ( -0.473 3.701 -4.759) 6.047 9.220 ( -0.876 1.358 -4.194) 4.495 9.579 ( -2.076 1.956 -4.150) 5.036 9.644 ( -2.459 -4.064 -3.730) 6.040 10.016 ( -1.654 1.258 -1.503) 2.564 10.068 ( -2.646 -3.095 -0.793) 4.149 10.374 ( 5.050 8.045 -6.713) 11.631 10.564 ( 4.752 -10.303 -10.663) 15.571 10.678 ( -8.338 1.282 7.449) 11.254 10.696 ( -7.502 -0.322 4.986) 9.014 11.073 ( -2.388 4.979 -6.994) 8.911 11.141 ( 0.451 -0.958 -6.970) 7.050 11.763 ( 4.740 14.987 3.963) 16.211 12.133 ( 4.514 -18.630 2.544) 19.338 12.378 ( -0.393 13.446 8.768) 16.057 12.618 ( 0.597 -8.357 3.635) 9.133 14.013 ( 1.985 19.086 -1.006) 19.215 14.422 ( 1.532 -18.949 -5.697) 19.847 14.681 ( -5.408 5.652 -3.279) 8.482 14.766 ( -2.124 -2.797 -1.403) 3.782 ======================= Grid point 155 (58/140) ======================= q-point: ( 0.25 0.43 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 9.222 18.852 5.395) 21.669 2.386 ( 6.387 -9.154 3.961) 11.844 2.443 ( 9.478 8.221 10.709) 16.495 2.714 ( 4.143 -11.887 8.208) 15.028 3.374 ( -2.165 7.089 1.860) 7.642 3.409 ( -5.076 3.748 5.047) 8.080 3.724 ( -2.541 -1.041 8.406) 8.843 3.832 ( -3.721 -9.989 7.777) 13.194 3.970 ( 13.932 15.185 11.925) 23.809 4.210 ( 7.183 -3.854 5.866) 10.043 4.592 ( 0.515 1.146 6.068) 6.196 4.741 ( -2.018 -10.228 4.899) 11.519 5.100 ( 2.422 3.949 7.602) 8.902 5.242 ( 5.178 -7.411 8.352) 12.308 5.586 ( 6.341 2.693 -2.338) 7.275 5.666 ( 1.734 -5.262 -1.661) 5.784 6.000 ( -15.505 4.270 -3.350) 16.428 6.065 ( -13.531 -2.123 -4.086) 14.293 6.429 ( -15.933 6.981 -0.780) 17.413 6.588 ( -14.124 -7.706 -0.208) 16.091 6.849 ( 3.855 7.223 -4.860) 9.521 6.990 ( 3.473 -4.959 -6.740) 9.060 7.243 ( -0.958 1.548 -0.604) 1.918 7.333 ( 3.126 -5.027 -1.592) 6.130 8.184 ( 7.561 1.342 -8.592) 11.524 8.214 ( 4.744 -1.672 -7.167) 8.756 8.416 ( 9.963 2.008 -4.503) 11.116 8.477 ( 10.715 -3.449 -3.416) 11.763 9.189 ( -0.214 4.310 -1.279) 4.500 9.222 ( 2.007 2.274 -4.670) 5.569 9.534 ( -2.264 1.410 -6.460) 6.989 9.585 ( -3.013 -3.465 -2.927) 5.446 9.984 ( -1.410 -0.768 2.412) 2.898 10.007 ( -3.166 -3.227 2.396) 5.117 10.475 ( -11.500 2.053 7.277) 13.763 10.493 ( -0.114 5.626 -4.934) 7.484 10.509 ( -4.131 1.478 -0.322) 4.399 10.681 ( 6.496 -9.102 -10.990) 15.679 11.009 ( -4.272 6.180 -7.527) 10.635 11.120 ( -2.547 -3.814 -7.751) 9.007 11.885 ( 7.357 15.154 5.921) 17.856 12.246 ( 6.678 -17.682 4.354) 19.396 12.356 ( -2.083 14.114 9.558) 17.173 12.622 ( -0.579 -10.066 5.144) 11.319 14.069 ( 3.701 18.851 -1.696) 19.285 14.463 ( 2.570 -17.645 -5.545) 18.674 14.549 ( -7.576 9.023 -2.664) 12.079 14.712 ( -3.240 -6.394 -2.338) 7.540 ======================= Grid point 156 (59/140) ======================= q-point: ( 0.38 0.43 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 13.314 14.675 3.414) 20.106 2.518 ( 6.074 -1.441 4.805) 7.878 2.594 ( 5.068 -1.220 6.301) 8.178 2.748 ( -1.239 -6.945 4.277) 8.250 3.276 ( -4.967 17.069 5.557) 18.626 3.340 ( -3.606 11.370 6.719) 13.690 3.667 ( -1.833 -13.655 6.460) 15.216 3.739 ( -4.421 -18.332 6.157) 19.837 4.280 ( 15.056 10.212 6.676) 19.379 4.391 ( 9.806 1.149 5.151) 11.136 4.592 ( -0.713 0.295 4.533) 4.598 4.693 ( -3.285 -6.333 5.322) 8.900 5.154 ( 4.552 7.889 9.341) 13.046 5.359 ( 7.156 -9.708 9.265) 15.208 5.631 ( -13.623 7.881 1.211) 15.785 5.737 ( 4.001 -1.011 -4.674) 6.236 5.762 ( -5.141 -0.688 -2.009) 5.562 5.824 ( -0.148 -7.057 0.602) 7.084 6.138 ( -13.803 6.461 -1.008) 15.274 6.305 ( -14.479 -9.014 -1.735) 17.143 6.938 ( 5.087 9.574 -4.384) 11.694 7.061 ( 2.213 4.841 -4.934) 7.258 7.226 ( 0.380 -5.674 -3.683) 6.775 7.353 ( -1.458 -10.408 -3.687) 11.137 8.318 ( 7.044 2.248 -8.554) 11.307 8.346 ( 8.126 -0.256 -7.472) 11.042 8.531 ( 1.130 2.151 -6.113) 6.578 8.600 ( 0.613 -3.950 -5.427) 6.741 9.219 ( 3.916 7.318 -0.306) 8.306 9.296 ( 4.561 3.563 -5.425) 7.933 9.487 ( -2.291 -2.320 -5.556) 6.442 9.546 ( -1.351 -4.663 -6.125) 7.816 9.969 ( 0.191 -1.630 7.265) 7.448 9.979 ( 1.511 -1.275 4.776) 5.169 10.243 ( -11.491 1.249 8.225) 14.186 10.271 ( -11.719 -0.922 5.102) 12.815 10.645 ( 7.478 7.471 -10.577) 14.954 10.812 ( 6.744 -7.993 -11.181) 15.310 10.910 ( -5.782 6.730 -8.829) 12.517 11.047 ( -4.808 -5.740 -9.102) 11.786 12.035 ( 7.747 15.203 7.923) 18.813 12.290 ( -4.574 14.758 9.936) 18.370 12.381 ( 6.736 -16.242 6.185) 18.639 12.587 ( -3.102 -12.302 6.625) 14.312 14.155 ( 5.078 18.048 -2.357) 18.896 14.398 ( -7.328 13.261 -2.393) 15.338 14.521 ( 3.094 -16.360 -5.431) 17.513 14.647 ( -3.310 -10.394 -3.532) 11.466 ======================= Grid point 157 (60/140) ======================= q-point: (-0.50 0.43 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( -9.306 9.358 4.308) 13.882 2.497 ( 9.306 9.358 4.308) 13.882 2.681 ( -4.730 -7.279 3.150) 9.235 2.681 ( 4.730 -7.279 3.150) 9.235 3.260 ( -3.172 18.178 7.408) 19.884 3.260 ( 3.172 18.178 7.408) 19.884 3.673 ( -2.190 -19.581 5.609) 20.486 3.673 ( 2.190 -19.581 5.609) 20.486 4.486 ( -4.428 5.831 2.721) 7.811 4.486 ( 4.428 5.831 2.721) 7.811 4.605 ( -4.860 -4.233 5.762) 8.646 4.605 ( 4.860 -4.233 5.762) 8.646 5.328 ( -13.499 10.060 7.610) 18.475 5.328 ( 13.499 10.060 7.610) 18.475 5.533 ( -10.841 -8.399 5.944) 14.947 5.533 ( 10.841 -8.399 5.944) 14.947 5.897 ( -10.351 4.536 -2.682) 11.615 5.897 ( 10.351 4.536 -2.682) 11.615 6.033 ( -13.094 -7.983 -3.116) 15.649 6.033 ( 13.094 -7.983 -3.116) 15.649 7.033 ( -4.136 11.660 -3.758) 12.930 7.033 ( 4.136 11.660 -3.758) 12.930 7.286 ( -4.563 -12.682 -5.458) 14.541 7.286 ( 4.563 -12.682 -5.458) 14.541 8.447 ( -3.863 4.178 -7.365) 9.307 8.447 ( 3.863 4.178 -7.365) 9.307 8.529 ( -4.984 -3.399 -6.349) 8.759 8.529 ( 4.984 -3.399 -6.349) 8.759 9.312 ( -3.839 9.052 -3.390) 10.401 9.312 ( 3.839 9.052 -3.390) 10.401 9.498 ( -3.366 -8.129 -6.653) 11.030 9.498 ( 3.366 -8.129 -6.653) 11.030 10.032 ( -3.273 1.897 8.150) 8.985 10.032 ( 3.273 1.897 8.150) 8.985 10.086 ( -3.485 -2.461 6.764) 7.997 10.086 ( 3.485 -2.461 6.764) 7.997 10.786 ( -6.845 7.061 -10.113) 14.106 10.786 ( 6.845 7.061 -10.113) 14.106 10.939 ( -6.147 -7.019 -10.377) 13.955 10.939 ( 6.147 -7.019 -10.377) 13.955 12.178 ( -6.701 15.160 9.405) 19.057 12.178 ( 6.701 15.160 9.405) 19.057 12.502 ( -5.455 -14.483 7.066) 17.013 12.502 ( 5.455 -14.483 7.066) 17.013 14.265 ( -6.252 16.238 -2.574) 17.589 14.265 ( 6.252 16.238 -2.574) 17.589 14.583 ( -3.218 -13.822 -4.656) 14.935 14.583 ( 3.218 -13.822 -4.656) 14.935 ======================= Grid point 189 (61/140) ======================= q-point: ( 0.00 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 0.000 0.000 25.280) 25.280 1.662 ( 0.000 0.000 26.724) 26.724 2.551 ( 0.000 0.000 29.780) 29.780 2.976 ( 0.000 0.000 14.020) 14.020 3.368 ( 0.000 0.000 -5.422) 5.422 3.404 ( 0.000 0.000 10.379) 10.379 3.854 ( 0.000 0.000 11.376) 11.376 4.039 ( 0.000 0.000 6.369) 6.369 4.298 ( 0.000 0.000 9.872) 9.872 4.339 ( 0.000 0.000 -8.322) 8.322 4.867 ( 0.000 0.000 -7.013) 7.013 4.939 ( 0.000 0.000 3.247) 3.247 5.113 ( 0.000 0.000 -3.230) 3.230 5.601 ( 0.000 0.000 -12.889) 12.889 5.729 ( 0.000 0.000 7.458) 7.458 5.814 ( 0.000 0.000 -6.228) 6.228 6.009 ( 0.000 0.000 -7.106) 7.106 6.289 ( 0.000 0.000 3.840) 3.840 6.478 ( 0.000 0.000 0.802) 0.802 6.743 ( 0.000 0.000 -1.643) 1.643 6.750 ( 0.000 0.000 -4.297) 4.297 7.283 ( 0.000 0.000 8.625) 8.625 7.325 ( 0.000 0.000 4.555) 4.555 7.423 ( 0.000 0.000 6.120) 6.120 7.689 ( 0.000 0.000 -20.844) 20.844 8.118 ( 0.000 0.000 -2.319) 2.319 8.345 ( 0.000 0.000 -1.666) 1.666 8.393 ( 0.000 0.000 0.998) 0.998 8.408 ( 0.000 0.000 -8.406) 8.406 8.931 ( 0.000 0.000 -8.221) 8.221 9.619 ( 0.000 0.000 -8.607) 8.607 9.795 ( 0.000 0.000 -7.611) 7.611 9.930 ( 0.000 0.000 -4.430) 4.430 9.970 ( 0.000 0.000 -5.030) 5.030 10.110 ( 0.000 0.000 0.978) 0.978 10.607 ( 0.000 0.000 7.478) 7.478 10.713 ( 0.000 0.000 3.132) 3.132 10.823 ( 0.000 0.000 -8.112) 8.112 10.961 ( 0.000 0.000 -19.083) 19.083 11.130 ( 0.000 0.000 1.937) 1.937 11.541 ( 0.000 0.000 2.971) 2.971 11.951 ( 0.000 0.000 6.105) 6.105 12.365 ( 0.000 0.000 0.893) 0.893 12.381 ( 0.000 0.000 -3.574) 3.574 13.586 ( 0.000 0.000 8.295) 8.295 14.507 ( 0.000 0.000 9.521) 9.521 14.812 ( 0.000 0.000 1.711) 1.711 14.944 ( 0.000 0.000 -9.312) 9.312 ======================= Grid point 190 (62/140) ======================= q-point: ( 0.12 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -6.516 0.000 26.585) 27.372 1.665 ( 8.487 0.000 23.470) 24.958 2.785 ( 15.094 0.000 14.318) 20.804 3.001 ( 6.177 0.000 22.850) 23.670 3.299 ( -6.958 0.000 -3.627) 7.846 3.397 ( -1.691 0.000 9.831) 9.975 3.829 ( -2.330 0.000 10.388) 10.646 3.986 ( -3.949 0.000 3.427) 5.229 4.291 ( 0.727 0.000 9.809) 9.836 4.336 ( -2.417 0.000 -1.617) 2.908 4.790 ( 0.498 0.000 -4.218) 4.248 5.095 ( -2.141 0.000 1.432) 2.576 5.154 ( 14.107 0.000 -4.014) 14.667 5.551 ( -3.283 0.000 -6.308) 7.111 5.753 ( -1.102 0.000 2.040) 2.318 5.780 ( -3.387 0.000 -6.005) 6.894 5.970 ( -2.342 0.000 -4.576) 5.141 6.289 ( -0.155 0.000 3.332) 3.336 6.433 ( -19.477 0.000 6.187) 20.436 6.454 ( -2.126 0.000 1.095) 2.391 6.800 ( -6.175 0.000 -5.261) 8.112 7.154 ( 4.805 0.000 2.432) 5.386 7.252 ( -9.607 0.000 2.916) 10.040 7.591 ( -3.108 0.000 -16.845) 17.129 7.779 ( 17.979 0.000 4.113) 18.444 8.162 ( -1.945 0.000 -11.623) 11.785 8.387 ( -1.289 0.000 -10.135) 10.217 8.400 ( 10.265 0.000 3.845) 10.961 8.540 ( 11.703 0.000 1.365) 11.783 8.938 ( -0.229 0.000 -6.734) 6.738 9.610 ( -0.841 0.000 -7.650) 7.696 9.772 ( -2.188 0.000 -7.160) 7.487 9.880 ( -3.635 0.000 -4.898) 6.099 9.997 ( 1.332 0.000 -3.964) 4.182 10.110 ( 0.299 0.000 -0.130) 0.326 10.588 ( -1.825 0.000 7.525) 7.743 10.612 ( -6.963 0.000 -2.008) 7.247 10.892 ( 0.397 0.000 -3.983) 4.003 10.940 ( 2.563 0.000 -16.080) 16.283 11.068 ( -6.055 0.000 2.975) 6.746 11.621 ( 7.150 0.000 0.752) 7.189 11.983 ( 3.044 0.000 5.184) 6.012 12.356 ( -0.901 0.000 0.885) 1.263 12.380 ( -0.176 0.000 -4.064) 4.068 13.650 ( 5.766 0.000 7.675) 9.599 14.449 ( -5.574 0.000 10.392) 11.792 14.822 ( 1.023 0.000 0.648) 1.211 14.945 ( 0.041 0.000 -9.324) 9.324 ======================= Grid point 191 (63/140) ======================= q-point: ( 0.25 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 8.185 0.000 19.647) 21.283 1.890 ( 14.035 0.000 19.294) 23.859 2.917 ( 3.929 0.000 -0.845) 4.019 3.099 ( -9.778 0.000 13.223) 16.446 3.106 ( -12.363 0.000 0.588) 12.376 3.473 ( 11.577 0.000 15.154) 19.070 3.796 ( 3.465 0.000 14.111) 14.530 3.926 ( -1.696 0.000 1.421) 2.213 4.232 ( -7.063 0.000 4.228) 8.232 4.388 ( 9.618 0.000 10.684) 14.375 4.897 ( 8.878 0.000 -5.461) 10.423 5.022 ( -5.358 0.000 8.784) 10.289 5.436 ( 13.717 0.000 -7.537) 15.651 5.495 ( -3.521 0.000 4.339) 5.588 5.623 ( -9.721 0.000 -6.169) 11.514 5.692 ( -4.803 0.000 -5.432) 7.251 5.946 ( -4.054 0.000 6.684) 7.817 6.111 ( -9.395 0.000 3.921) 10.181 6.275 ( -1.623 0.000 1.875) 2.480 6.416 ( -1.290 0.000 1.796) 2.211 6.623 ( -10.349 0.000 -2.595) 10.670 6.977 ( -16.157 0.000 -3.721) 16.580 7.374 ( 15.039 0.000 -4.470) 15.689 7.622 ( 4.449 0.000 -12.010) 12.808 8.022 ( 7.384 0.000 0.732) 7.420 8.081 ( -5.211 0.000 -11.365) 12.503 8.379 ( 0.291 0.000 -10.095) 10.099 8.629 ( 12.051 0.000 -0.116) 12.052 8.810 ( 14.279 0.000 3.719) 14.756 8.881 ( -6.073 0.000 -3.785) 7.156 9.592 ( -0.775 0.000 -5.897) 5.948 9.719 ( -3.067 0.000 -5.908) 6.656 9.808 ( -3.248 0.000 -4.298) 5.387 10.006 ( -0.661 0.000 -2.576) 2.659 10.136 ( 2.615 0.000 -3.215) 4.144 10.481 ( -6.110 0.000 -6.250) 8.741 10.546 ( -2.098 0.000 7.522) 7.809 10.876 ( 0.312 0.000 -4.732) 4.742 10.912 ( -9.383 0.000 4.940) 10.604 11.017 ( 2.710 0.000 -9.032) 9.430 11.790 ( 9.910 0.000 -2.085) 10.127 12.058 ( 4.306 0.000 3.488) 5.541 12.329 ( -1.841 0.000 0.889) 2.044 12.365 ( -1.652 0.000 -5.064) 5.326 13.775 ( 6.407 0.000 7.888) 10.162 14.309 ( -8.227 0.000 11.812) 14.394 14.851 ( 1.817 0.000 -1.968) 2.679 14.944 ( -0.105 0.000 -9.191) 9.192 ======================= Grid point 192 (64/140) ======================= q-point: ( 0.38 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 20.470 0.000 10.564) 23.035 2.191 ( 16.433 0.000 14.546) 21.946 2.757 ( -22.009 0.000 6.193) 22.864 2.832 ( -15.405 0.000 5.300) 16.291 3.031 ( 7.980 0.000 -2.540) 8.375 3.440 ( -9.963 0.000 1.747) 10.115 3.925 ( 1.570 0.000 1.838) 2.417 4.095 ( -6.587 0.000 4.756) 8.124 4.146 ( 24.519 0.000 21.794) 32.805 4.630 ( 13.295 0.000 11.638) 17.669 4.888 ( -8.018 0.000 11.021) 13.629 5.094 ( 10.777 0.000 -4.767) 11.785 5.295 ( -15.299 0.000 7.187) 16.903 5.489 ( -7.731 0.000 -5.202) 9.318 5.543 ( 0.519 0.000 -0.040) 0.520 5.753 ( -10.702 0.000 12.450) 16.417 5.786 ( 13.720 0.000 -7.874) 15.819 6.111 ( 4.616 0.000 0.020) 4.616 6.211 ( -5.337 0.000 -0.225) 5.342 6.416 ( 1.479 0.000 0.992) 1.780 6.418 ( -10.291 0.000 -1.418) 10.388 6.679 ( -13.454 0.000 -6.106) 14.775 7.688 ( 16.160 0.000 -7.453) 17.796 7.727 ( 5.973 0.000 -11.417) 12.885 7.970 ( -6.064 0.000 -11.485) 12.987 8.089 ( -0.907 0.000 -5.966) 6.034 8.397 ( 2.544 0.000 -4.243) 4.947 8.713 ( -10.407 0.000 -1.542) 10.520 8.858 ( 10.962 0.000 -0.479) 10.973 9.026 ( 6.312 0.000 2.253) 6.702 9.588 ( 0.452 0.000 -4.716) 4.738 9.659 ( -2.910 0.000 -4.663) 5.497 9.780 ( 1.170 0.000 -2.167) 2.463 9.963 ( -3.937 0.000 -1.023) 4.067 10.206 ( 4.190 0.000 -6.156) 7.447 10.376 ( -4.745 0.000 -8.070) 9.362 10.525 ( 0.507 0.000 7.283) 7.300 10.726 ( -9.116 0.000 6.433) 11.157 10.911 ( 3.013 0.000 -3.503) 4.620 11.029 ( -1.330 0.000 -6.553) 6.687 11.993 ( 10.421 0.000 -4.519) 11.358 12.143 ( 4.281 0.000 2.137) 4.785 12.284 ( -2.794 0.000 0.993) 2.965 12.305 ( -4.684 0.000 -5.880) 7.518 13.891 ( 5.687 0.000 9.658) 11.208 14.148 ( -7.961 0.000 12.317) 14.665 14.888 ( 1.898 0.000 -4.885) 5.241 14.938 ( -0.570 0.000 -8.564) 8.583 ======================= Grid point 193 (65/140) ======================= q-point: (-0.50 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( -24.450 0.000 5.874) 25.146 2.294 ( 24.450 0.000 5.874) 25.146 2.517 ( -16.684 0.000 9.903) 19.402 2.517 ( 16.684 0.000 9.903) 19.402 3.223 ( -11.171 0.000 -1.537) 11.276 3.223 ( 11.171 0.000 -1.537) 11.276 3.985 ( -4.470 0.000 3.398) 5.614 3.985 ( 4.470 0.000 3.398) 5.614 4.577 ( -17.758 0.000 16.847) 24.478 4.577 ( 17.758 0.000 16.847) 24.478 4.981 ( -15.702 0.000 7.860) 17.559 4.981 ( 15.702 0.000 7.860) 17.559 5.304 ( -10.503 0.000 -4.428) 11.398 5.304 ( 10.503 0.000 -4.428) 11.398 5.596 ( -5.190 0.000 8.925) 10.324 5.596 ( 5.190 0.000 8.925) 10.324 6.046 ( -11.662 0.000 -5.059) 12.712 6.046 ( 11.662 0.000 -5.059) 12.712 6.236 ( -8.061 0.000 -0.548) 8.079 6.236 ( 8.061 0.000 -0.548) 8.079 6.485 ( -6.205 0.000 -2.747) 6.786 6.485 ( 6.205 0.000 -2.747) 6.786 7.848 ( -6.342 0.000 -11.556) 13.181 7.848 ( 6.342 0.000 -11.556) 13.181 7.966 ( -11.271 0.000 -8.837) 14.322 7.966 ( 11.271 0.000 -8.837) 14.322 8.513 ( -9.013 0.000 -0.934) 9.061 8.513 ( 9.013 0.000 -0.934) 9.061 9.028 ( -5.468 0.000 0.090) 5.468 9.028 ( 5.468 0.000 0.090) 5.468 9.611 ( -1.887 0.000 -4.257) 4.656 9.611 ( 1.887 0.000 -4.257) 4.656 9.859 ( -5.945 0.000 -0.320) 5.954 9.859 ( 5.945 0.000 -0.320) 5.954 10.289 ( -4.313 0.000 -7.786) 8.901 10.289 ( 4.313 0.000 -7.786) 8.901 10.581 ( -5.303 0.000 7.017) 8.796 10.581 ( 5.303 0.000 7.017) 8.796 10.978 ( -3.459 0.000 -4.449) 5.635 10.978 ( 3.459 0.000 -4.449) 5.635 12.179 ( -8.240 0.000 -5.853) 10.107 12.179 ( 8.240 0.000 -5.853) 10.107 12.221 ( -3.664 0.000 1.348) 3.904 12.221 ( 3.664 0.000 1.348) 3.904 14.007 ( -6.444 0.000 11.490) 13.174 14.007 ( 6.444 0.000 11.490) 13.174 14.920 ( -1.302 0.000 -7.165) 7.282 14.920 ( 1.302 0.000 -7.165) 7.282 ======================= Grid point 198 (66/140) ======================= q-point: ( 0.00 0.14 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 0.000 5.696 24.210) 24.871 1.767 ( 0.000 15.506 21.706) 26.675 2.670 ( 0.000 8.114 18.736) 20.417 2.915 ( 0.000 -1.695 20.834) 20.903 3.330 ( 0.000 -3.968 7.051) 8.091 3.432 ( 0.000 1.955 -0.845) 2.130 3.838 ( 0.000 -0.395 10.830) 10.837 4.042 ( 0.000 -12.152 0.627) 12.168 4.055 ( 0.000 -1.031 9.816) 9.870 4.491 ( 0.000 3.488 1.924) 3.984 4.813 ( 0.000 -1.481 -9.265) 9.382 4.953 ( 0.000 1.847 5.601) 5.898 5.113 ( 0.000 -2.964 3.092) 4.283 5.554 ( 0.000 -5.968 -7.284) 9.416 5.721 ( 0.000 -0.306 5.330) 5.338 5.761 ( 0.000 -4.214 -9.262) 10.175 6.044 ( 0.000 3.280 -8.667) 9.267 6.208 ( 0.000 -4.954 4.669) 6.807 6.477 ( 0.000 0.292 -1.326) 1.357 6.788 ( 0.000 3.237 -2.695) 4.212 6.817 ( 0.000 4.181 -5.315) 6.763 7.272 ( 0.000 -1.052 5.252) 5.356 7.313 ( 0.000 -2.152 3.156) 3.820 7.383 ( 0.000 -3.478 5.158) 6.221 7.655 ( 0.000 -1.941 -14.301) 14.432 8.093 ( 0.000 -9.397 -3.001) 9.864 8.124 ( 0.000 0.313 -1.843) 1.869 8.356 ( 0.000 -3.302 0.671) 3.369 8.690 ( 0.000 13.475 -7.247) 15.300 8.980 ( 0.000 4.364 -6.881) 8.148 9.545 ( 0.000 -5.836 -9.922) 11.511 9.770 ( 0.000 -4.119 -8.229) 9.203 9.912 ( 0.000 -0.918 -4.439) 4.533 9.967 ( 0.000 2.258 -3.684) 4.321 10.164 ( 0.000 3.621 2.687) 4.509 10.667 ( 0.000 5.744 1.307) 5.891 10.738 ( 0.000 -11.051 -14.291) 18.065 10.767 ( 0.000 4.536 6.162) 7.652 10.902 ( 0.000 1.088 -8.948) 9.014 11.147 ( 0.000 -1.750 4.991) 5.289 11.531 ( 0.000 -0.239 2.263) 2.275 12.049 ( 0.000 8.764 7.514) 11.544 12.322 ( 0.000 5.009 -5.733) 7.613 12.556 ( 0.000 4.255 -0.761) 4.322 13.628 ( 0.000 4.571 6.356) 7.829 14.517 ( 0.000 1.213 6.862) 6.968 14.784 ( 0.000 -3.901 -2.872) 4.844 14.886 ( 0.000 -4.324 -5.179) 6.747 ======================= Grid point 199 (67/140) ======================= q-point: ( 0.12 0.14 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -5.161 7.235 23.707) 25.318 1.856 ( 7.572 15.940 20.649) 27.163 2.772 ( 4.514 -4.198 3.801) 7.242 3.042 ( 14.413 7.412 29.240) 33.432 3.339 ( -6.667 3.169 -2.826) 7.904 3.348 ( -0.409 -4.959 11.037) 12.107 3.744 ( -7.561 -3.319 7.861) 11.401 4.066 ( 4.827 0.022 7.144) 8.622 4.125 ( 2.258 -5.312 6.002) 8.328 4.451 ( -3.362 1.901 3.049) 4.921 4.722 ( -3.875 -1.951 -3.835) 5.791 5.063 ( 2.567 -1.757 3.321) 4.550 5.165 ( 8.959 -1.652 -0.302) 9.115 5.546 ( -0.509 -2.553 -5.471) 6.058 5.654 ( -4.893 -6.350 1.968) 8.255 5.798 ( 0.551 -0.403 -5.121) 5.166 5.991 ( -4.428 2.552 -6.524) 8.288 6.178 ( -3.528 -4.518 5.011) 7.614 6.447 ( -3.268 -0.261 -0.923) 3.406 6.595 ( -13.244 8.869 2.120) 16.080 6.815 ( -5.182 1.357 -4.698) 7.125 7.116 ( -2.487 -3.153 0.558) 4.054 7.263 ( -3.585 0.582 2.389) 4.347 7.482 ( -0.769 -9.098 -8.688) 12.604 7.797 ( 13.155 1.256 -2.915) 13.533 8.103 ( 3.480 -3.234 -6.723) 8.232 8.305 ( 5.808 -4.165 -4.792) 8.605 8.366 ( 7.700 -2.910 2.254) 8.535 8.717 ( 3.447 11.254 -4.807) 12.714 8.985 ( -0.236 4.132 -5.458) 6.850 9.536 ( -0.857 -5.953 -8.521) 10.430 9.732 ( -3.314 -3.839 -7.939) 9.421 9.914 ( -0.560 2.488 -3.702) 4.495 9.989 ( 2.665 0.642 -5.134) 5.820 10.147 ( -1.512 2.833 2.227) 3.908 10.624 ( -4.439 3.576 -2.591) 6.262 10.688 ( -4.983 5.948 6.187) 9.924 10.766 ( 1.203 -11.789 -14.263) 18.543 10.904 ( -1.071 0.754 -2.283) 2.632 11.088 ( -3.926 -0.707 2.548) 4.733 11.629 ( 8.082 -0.383 2.173) 8.378 12.053 ( 0.371 7.619 7.219) 10.503 12.338 ( 1.552 6.460 -5.753) 8.789 12.566 ( 0.895 5.679 -0.990) 5.833 13.673 ( 4.167 2.975 6.216) 8.053 14.457 ( -5.837 1.021 7.853) 9.838 14.792 ( 0.804 -3.979 -3.382) 5.284 14.886 ( -0.038 -4.528 -5.612) 7.211 ======================= Grid point 200 (68/140) ======================= q-point: ( 0.25 0.14 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 7.606 7.911 17.997) 21.079 2.051 ( 12.052 13.986 17.539) 25.465 2.838 ( 3.851 -6.697 -1.753) 7.921 3.132 ( -10.774 1.277 7.622) 13.259 3.141 ( -11.333 3.441 6.232) 13.383 3.453 ( 3.576 -1.888 10.130) 10.907 3.728 ( 14.013 0.860 17.144) 22.159 4.087 ( -3.390 6.773 4.877) 9.008 4.179 ( 1.796 -1.930 4.118) 4.889 4.421 ( 3.517 0.091 10.331) 10.914 4.720 ( 2.918 -9.646 -3.893) 10.803 5.051 ( -1.959 -0.445 8.795) 9.021 5.405 ( 13.178 -3.285 -5.979) 14.840 5.505 ( -6.967 -0.876 6.537) 9.593 5.572 ( -0.175 -4.994 -3.391) 6.039 5.716 ( -8.290 2.752 -8.709) 12.335 5.932 ( -1.744 -1.950 2.983) 3.967 6.055 ( -8.206 0.158 4.957) 9.589 6.325 ( -7.419 -4.854 0.888) 8.910 6.432 ( -3.718 8.261 -0.340) 9.065 6.707 ( -5.229 6.418 -1.808) 8.474 6.916 ( -14.930 -5.387 -4.555) 16.513 7.373 ( 11.422 -0.624 -4.380) 12.249 7.519 ( 4.117 -8.829 -7.147) 12.082 7.965 ( 4.617 -1.094 -7.225) 8.644 8.153 ( -0.427 2.653 -4.728) 5.438 8.337 ( 3.329 -2.694 -7.182) 8.362 8.629 ( 12.376 -3.477 -0.534) 12.867 8.822 ( 5.286 5.513 -1.573) 7.798 8.958 ( -0.812 5.093 -1.493) 5.369 9.518 ( -0.684 -6.117 -6.072) 8.646 9.661 ( -3.626 -3.233 -7.720) 9.121 9.894 ( -1.092 5.116 -2.145) 5.654 10.052 ( 2.609 3.659 -5.733) 7.284 10.124 ( 0.075 -0.179 0.169) 0.257 10.501 ( -7.362 1.420 -5.753) 9.451 10.597 ( -4.152 3.852 6.960) 8.973 10.785 ( -1.939 -8.621 -5.464) 10.389 10.843 ( -1.916 -2.486 -2.181) 3.822 11.045 ( -0.937 0.785 -3.426) 3.637 11.796 ( 8.381 -1.426 2.343) 8.819 12.060 ( 0.235 4.712 6.371) 7.928 12.380 ( 2.681 10.156 -5.615) 11.911 12.581 ( 0.309 8.951 -1.769) 9.129 13.769 ( 5.223 0.324 6.781) 8.565 14.309 ( -8.708 0.432 9.563) 12.941 14.814 ( 1.403 -4.268 -4.651) 6.467 14.884 ( -0.117 -4.926 -6.513) 8.167 ======================= Grid point 201 (69/140) ======================= q-point: ( 0.38 0.14 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 19.069 6.075 10.227) 22.475 2.306 ( 13.401 9.865 13.545) 21.456 2.790 ( -19.288 2.164 3.668) 19.752 2.859 ( -12.053 2.940 4.664) 13.254 3.003 ( 5.579 -1.997 0.777) 5.976 3.380 ( -8.041 -3.767 3.810) 9.663 4.009 ( 0.563 5.100 2.447) 5.685 4.126 ( -4.713 2.681 4.411) 6.990 4.179 ( 21.713 2.942 17.889) 28.287 4.613 ( 13.428 -1.800 11.558) 17.808 4.748 ( -2.701 -11.429 2.699) 12.050 5.023 ( -0.805 -3.093 5.998) 6.796 5.321 ( -9.116 -0.011 8.707) 12.606 5.490 ( -9.535 0.605 -2.133) 9.789 5.615 ( 1.861 2.317 -1.500) 3.329 5.668 ( 8.060 -2.550 -2.132) 8.718 5.863 ( -2.662 2.885 3.381) 5.181 5.965 ( -0.960 -6.241 0.504) 6.334 6.211 ( -3.989 -9.740 0.229) 10.528 6.362 ( -5.160 7.091 -2.765) 9.196 6.617 ( -3.823 9.487 -0.524) 10.242 6.652 ( -9.932 -1.472 -5.237) 11.324 7.576 ( 7.321 -10.305 -8.910) 15.465 7.632 ( 6.803 -6.717 -6.911) 11.796 8.008 ( 1.162 3.508 -9.269) 9.979 8.140 ( -0.576 3.027 -8.034) 8.605 8.402 ( 3.446 0.414 -3.558) 4.971 8.688 ( -7.201 -2.603 -2.083) 7.936 8.917 ( 8.105 5.199 -1.368) 9.726 9.037 ( 4.766 1.496 1.447) 5.200 9.522 ( 1.231 -5.439 -4.967) 7.468 9.600 ( -2.585 -2.761 -6.977) 7.936 9.892 ( 1.529 6.778 -0.363) 6.958 10.047 ( -2.712 7.273 -1.033) 7.830 10.168 ( 3.320 -2.715 -4.151) 5.969 10.360 ( -6.821 -1.050 -4.540) 8.260 10.540 ( -1.032 -0.296 4.621) 4.744 10.672 ( -6.504 -3.063 2.653) 7.663 10.887 ( 3.742 -3.447 -7.269) 8.873 11.019 ( -2.110 -0.814 -5.842) 6.264 11.938 ( 5.934 -3.041 2.961) 7.295 12.057 ( -0.782 0.924 5.188) 5.328 12.443 ( 3.742 14.035 -5.218) 15.434 12.569 ( -1.628 12.490 -3.061) 12.962 13.871 ( 5.403 -1.091 8.370) 10.022 14.137 ( -8.495 -0.424 10.404) 13.438 14.843 ( 1.443 -4.711 -6.072) 7.819 14.880 ( -0.410 -5.163 -7.130) 8.812 ======================= Grid point 202 (70/140) ======================= q-point: (-0.50 0.14 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -21.402 3.067 6.298) 22.519 2.323 ( 21.402 3.067 6.298) 22.519 2.606 ( -12.090 7.799 8.411) 16.665 2.606 ( 12.090 7.799 8.411) 16.665 3.186 ( -10.826 -2.807 0.473) 11.194 3.186 ( 10.826 -2.807 0.473) 11.194 4.041 ( -3.336 4.124 2.992) 6.090 4.041 ( 3.336 4.124 2.992) 6.090 4.563 ( -15.337 -2.476 11.871) 19.552 4.563 ( 15.337 -2.476 11.871) 19.552 4.892 ( -13.124 -5.631 8.470) 16.604 4.892 ( 13.124 -5.631 8.470) 16.604 5.302 ( -7.317 0.347 3.098) 7.953 5.302 ( 7.317 0.347 3.098) 7.953 5.673 ( -3.468 5.262 4.904) 7.985 5.673 ( 3.468 5.262 4.904) 7.985 5.934 ( -4.091 -8.268 -3.279) 9.790 5.934 ( 4.091 -8.268 -3.279) 9.790 6.221 ( -6.170 -2.626 -3.485) 7.557 6.221 ( 6.170 -2.626 -3.485) 7.557 6.571 ( -0.463 7.410 -1.685) 7.613 6.571 ( 0.463 7.410 -1.685) 7.613 7.675 ( -2.680 -11.357 -8.997) 14.734 7.675 ( 2.680 -11.357 -8.997) 14.734 8.080 ( -5.331 6.211 -9.467) 12.514 8.080 ( 5.331 6.211 -9.467) 12.514 8.516 ( -8.399 -0.082 -1.626) 8.555 8.516 ( 8.399 -0.082 -1.626) 8.555 9.047 ( -3.847 1.903 -0.419) 4.313 9.047 ( 3.847 1.903 -0.419) 4.313 9.557 ( -2.010 -3.700 -5.601) 7.007 9.557 ( 2.010 -3.700 -5.601) 7.007 9.963 ( -5.119 7.690 0.433) 9.248 9.963 ( 5.119 7.690 0.433) 9.248 10.244 ( -4.849 -3.136 -3.618) 6.814 10.244 ( 4.849 -3.136 -3.618) 6.814 10.569 ( -3.718 -1.465 2.578) 4.756 10.569 ( 3.718 -1.465 2.578) 4.756 10.962 ( -3.628 -2.073 -6.546) 7.766 10.962 ( 3.628 -2.073 -6.546) 7.766 12.023 ( -2.866 -2.347 3.966) 5.427 12.023 ( 2.866 -2.347 3.966) 5.427 12.517 ( -3.539 14.853 -4.376) 15.883 12.517 ( 3.539 14.853 -4.376) 15.883 13.988 ( -6.749 -1.140 9.900) 12.035 13.988 ( 6.749 -1.140 9.900) 12.035 14.867 ( -0.960 -5.075 -7.001) 8.700 14.867 ( 0.960 -5.075 -7.001) 8.700 ======================= Grid point 207 (71/140) ======================= q-point: ( 0.00 0.29 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 0.000 9.515 17.895) 20.267 2.121 ( 0.000 17.317 18.309) 25.201 2.590 ( 0.000 -10.796 4.575) 11.725 3.178 ( 0.000 -11.516 13.358) 17.637 3.226 ( 0.000 25.796 24.802) 35.785 3.432 ( 0.000 -1.460 -4.613) 4.839 3.795 ( 0.000 -6.622 10.958) 12.804 3.915 ( 0.000 0.683 4.905) 4.953 4.017 ( 0.000 1.548 9.712) 9.834 4.476 ( 0.000 -3.903 3.647) 5.342 4.852 ( 0.000 1.770 0.513) 1.843 4.985 ( 0.000 -5.376 1.729) 5.647 5.017 ( 0.000 3.528 7.385) 8.184 5.308 ( 0.000 -17.049 0.309) 17.052 5.681 ( 0.000 -3.055 -8.620) 9.146 5.712 ( 0.000 -1.156 5.376) 5.499 6.119 ( 0.000 2.925 -11.214) 11.589 6.149 ( 0.000 -0.737 -1.844) 1.986 6.515 ( 0.000 3.771 -5.385) 6.574 6.847 ( 0.000 -1.494 -6.743) 6.906 6.861 ( 0.000 3.350 -0.184) 3.355 7.164 ( 0.000 -8.646 -0.983) 8.701 7.267 ( 0.000 -2.009 -0.869) 2.189 7.300 ( 0.000 -3.886 3.103) 4.972 7.689 ( 0.000 5.900 -1.370) 6.056 8.011 ( 0.000 0.701 -3.451) 3.521 8.113 ( 0.000 -1.893 -1.078) 2.179 8.268 ( 0.000 -4.862 0.142) 4.864 8.930 ( 0.000 9.378 -7.612) 12.078 9.085 ( 0.000 4.763 -4.088) 6.277 9.438 ( 0.000 -3.164 -12.882) 13.265 9.650 ( 0.000 -6.051 -7.674) 9.772 9.903 ( 0.000 0.256 -4.609) 4.616 10.048 ( 0.000 3.284 -3.100) 4.516 10.238 ( 0.000 3.603 4.048) 5.419 10.490 ( 0.000 -10.528 -13.708) 17.284 10.779 ( 0.000 3.505 -4.822) 5.961 10.902 ( 0.000 7.746 6.699) 10.242 10.933 ( 0.000 0.363 -4.533) 4.547 11.069 ( 0.000 -3.988 7.674) 8.649 11.572 ( 0.000 5.356 2.842) 6.064 12.280 ( 0.000 12.378 8.539) 15.037 12.454 ( 0.000 -6.581 -1.492) 6.748 12.524 ( 0.000 4.879 -3.829) 6.202 13.770 ( 0.000 8.409 4.131) 9.369 14.571 ( 0.000 4.085 0.673) 4.140 14.598 ( 0.000 -13.054 -9.128) 15.929 14.823 ( 0.000 -2.276 0.311) 2.297 ======================= Grid point 208 (72/140) ======================= q-point: ( 0.12 0.29 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -2.607 12.106 17.454) 21.401 2.219 ( 7.896 17.162 17.234) 25.572 2.603 ( 1.559 -10.393 2.638) 10.835 3.155 ( -2.303 -10.665 11.910) 16.153 3.315 ( 2.330 9.381 10.147) 14.014 3.454 ( 6.563 12.680 9.719) 17.272 3.712 ( -5.179 -1.833 8.812) 10.384 4.016 ( 3.376 0.279 8.791) 9.421 4.045 ( 7.386 -3.944 8.422) 11.875 4.414 ( -5.951 -3.749 2.778) 7.562 4.785 ( -4.829 4.938 2.363) 7.300 4.972 ( -0.018 -6.984 7.386) 10.166 5.138 ( 9.018 0.900 -1.358) 9.164 5.326 ( 1.574 -15.838 0.851) 15.939 5.603 ( -4.240 -0.380 -0.303) 4.268 5.761 ( 1.406 -3.017 -1.220) 3.544 6.056 ( -6.006 2.618 -7.517) 9.971 6.129 ( -2.256 -0.946 -1.951) 3.129 6.477 ( -5.019 3.909 -5.302) 8.282 6.730 ( -11.117 4.063 0.716) 11.858 6.839 ( -0.877 0.176 -3.114) 3.240 7.019 ( -9.409 -6.995 -4.981) 12.739 7.265 ( 2.705 -0.738 2.002) 3.445 7.303 ( -1.783 -5.109 -1.659) 5.659 7.841 ( 9.877 3.345 -4.146) 11.222 8.081 ( 7.460 0.930 -2.712) 7.992 8.214 ( 3.208 -4.888 -3.111) 6.623 8.299 ( 8.037 -3.307 0.295) 8.696 8.936 ( 1.173 9.185 -6.388) 11.249 9.085 ( -0.342 4.631 -3.467) 5.795 9.424 ( -1.273 -3.500 -10.805) 11.428 9.630 ( -1.970 -5.318 -7.648) 9.521 9.936 ( 2.808 0.266 -4.707) 5.487 10.050 ( 0.467 2.884 -3.532) 4.584 10.213 ( -1.899 3.758 2.848) 5.083 10.525 ( 3.042 -9.724 -13.082) 16.582 10.698 ( -6.846 3.017 -4.322) 8.640 10.823 ( -7.234 4.069 6.269) 10.401 10.914 ( -3.166 1.078 0.699) 3.416 11.058 ( -0.550 -1.296 0.158) 1.417 11.650 ( 6.908 4.489 4.386) 9.333 12.279 ( -0.253 12.590 8.756) 15.338 12.501 ( 4.367 -5.499 -1.478) 7.176 12.552 ( 2.769 5.111 -3.173) 6.622 13.787 ( 1.674 7.678 4.004) 8.819 14.510 ( -5.957 4.321 1.471) 7.505 14.608 ( 1.013 -12.844 -9.094) 15.770 14.812 ( -1.064 -3.011 -0.371) 3.215 ======================= Grid point 209 (73/140) ======================= q-point: ( 0.25 0.29 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 6.791 13.345 13.516) 20.172 2.387 ( 8.693 16.201 15.609) 24.118 2.667 ( 5.322 -9.302 -1.042) 10.767 3.064 ( -6.657 -7.200 7.439) 12.308 3.258 ( -8.226 7.085 4.826) 11.881 3.470 ( -5.400 3.767 7.391) 9.898 3.835 ( 15.166 6.948 14.571) 22.150 4.065 ( 4.032 -2.988 10.293) 11.451 4.251 ( 11.093 -5.394 9.213) 15.395 4.272 ( -7.162 -1.450 1.340) 7.429 4.707 ( -2.608 5.594 2.735) 6.751 4.968 ( -0.719 -7.655 8.252) 11.279 5.310 ( 3.419 -6.447 1.364) 7.424 5.366 ( 6.319 -6.429 -2.262) 9.294 5.566 ( 1.553 1.464 1.932) 2.878 5.733 ( -4.931 -1.538 -3.889) 6.466 5.912 ( -7.496 0.186 0.345) 7.507 6.062 ( -4.267 -2.275 0.962) 4.930 6.270 ( -14.018 2.427 -2.134) 14.386 6.593 ( -4.143 5.926 -2.471) 7.641 6.769 ( -10.380 -5.924 -0.985) 11.992 6.855 ( -1.650 4.776 -5.948) 7.805 7.284 ( 0.632 -7.377 -4.688) 8.763 7.382 ( 7.137 -2.862 -0.570) 7.710 7.988 ( 6.086 2.598 -7.252) 9.817 8.160 ( -0.283 -1.757 -4.275) 4.631 8.306 ( 7.759 0.011 -4.048) 8.751 8.521 ( 10.362 -5.536 -1.343) 11.824 8.985 ( 3.502 8.248 -4.355) 9.962 9.069 ( -0.664 5.242 -1.642) 5.533 9.401 ( -0.569 -4.080 -8.187) 9.165 9.581 ( -2.836 -4.495 -7.177) 8.931 9.979 ( 1.250 2.380 -1.157) 2.927 10.077 ( 1.901 -0.741 -3.474) 4.029 10.199 ( 1.346 6.329 -1.695) 6.689 10.516 ( -7.650 -0.787 -4.996) 9.171 10.609 ( -2.243 -3.748 -4.354) 6.167 10.666 ( -4.516 -1.464 1.224) 4.903 10.822 ( -5.502 1.356 0.673) 5.707 11.037 ( -2.036 -1.726 -5.640) 6.240 11.804 ( 8.384 4.749 6.311) 11.518 12.262 ( -1.679 12.547 9.222) 15.662 12.602 ( 5.387 -2.425 -1.417) 6.075 12.622 ( 4.054 5.110 -1.556) 6.706 13.832 ( 2.896 6.280 3.817) 7.899 14.357 ( -9.151 4.764 2.907) 10.719 14.636 ( 1.781 -12.198 -8.832) 15.165 14.785 ( -1.632 -4.906 -2.175) 5.609 ======================= Grid point 210 (74/140) ======================= q-point: ( 0.38 0.29 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 15.722 11.098 8.339) 20.973 2.535 ( 5.437 10.442 11.807) 16.674 2.766 ( 0.300 -4.661 -1.786) 5.001 2.925 ( -7.255 -1.484 6.163) 9.634 3.052 ( -5.715 11.353 4.982) 13.652 3.359 ( -7.488 2.791 7.447) 10.924 4.001 ( 2.838 -6.697 4.824) 8.728 4.144 ( -4.939 -6.082 3.050) 8.408 4.270 ( 13.838 5.545 11.068) 18.567 4.458 ( 7.635 -4.399 5.580) 10.430 4.705 ( 3.391 4.229 7.122) 8.950 4.937 ( -2.726 -6.456 9.011) 11.415 5.278 ( -1.935 -2.650 7.678) 8.350 5.535 ( -9.014 2.649 0.411) 9.404 5.566 ( 8.357 -1.411 -1.527) 8.612 5.677 ( 5.652 -0.915 -4.336) 7.182 5.809 ( -3.340 -4.170 4.443) 6.949 5.987 ( -5.771 2.598 2.355) 6.753 6.025 ( -6.473 -5.945 -1.008) 8.846 6.396 ( -14.469 -4.318 -4.699) 15.814 6.695 ( 1.841 6.489 -2.821) 7.311 6.822 ( -2.681 9.730 -1.908) 10.272 7.334 ( 4.279 -11.535 -6.432) 13.883 7.473 ( 1.076 -8.351 -4.388) 9.494 8.097 ( 5.536 4.563 -7.079) 10.078 8.191 ( 3.340 1.981 -7.686) 8.611 8.409 ( 3.039 0.165 -3.342) 4.520 8.607 ( -2.362 -4.830 -3.004) 6.159 9.054 ( 3.934 7.463 -2.968) 8.943 9.096 ( 2.554 3.891 -0.894) 4.740 9.418 ( 2.332 -4.219 -7.379) 8.814 9.528 ( -2.546 -4.332 -6.902) 8.537 10.009 ( 2.648 4.004 1.981) 5.193 10.115 ( 2.722 -2.071 0.341) 3.437 10.225 ( -2.175 8.696 -2.035) 9.192 10.357 ( -7.351 1.195 -1.589) 7.615 10.479 ( -3.520 -4.356 3.019) 6.363 10.651 ( -4.841 0.390 -6.348) 7.993 10.780 ( 3.605 -5.717 -6.586) 9.437 10.975 ( -4.221 -3.866 -8.057) 9.883 11.964 ( 7.857 6.735 7.801) 12.960 12.207 ( -4.070 11.471 9.391) 15.373 12.691 ( 3.428 1.428 -1.232) 3.913 12.695 ( 3.003 3.956 0.040) 4.967 13.903 ( 4.528 5.395 3.785) 7.996 14.174 ( -9.132 5.066 3.753) 11.097 14.674 ( 2.076 -11.073 -8.064) 13.855 14.751 ( -1.826 -7.251 -4.481) 8.718 ======================= Grid point 211 (75/140) ======================= q-point: (-0.50 0.29 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( -16.512 6.694 6.028) 18.810 2.427 ( 16.512 6.694 6.028) 18.810 2.774 ( -6.366 5.216 4.659) 9.457 2.774 ( 6.366 5.216 4.659) 9.457 3.168 ( -10.970 3.809 5.429) 12.819 3.168 ( 10.970 3.809 5.429) 12.819 4.059 ( -3.718 -5.883 3.936) 7.995 4.059 ( 3.718 -5.883 3.936) 7.995 4.473 ( -5.726 -2.099 3.441) 7.003 4.473 ( 5.726 -2.099 3.441) 7.003 4.838 ( -7.610 -1.233 12.076) 14.327 4.838 ( 7.610 -1.233 12.076) 14.327 5.328 ( -7.928 2.703 5.466) 10.002 5.328 ( 7.928 2.703 5.466) 10.002 5.736 ( -4.808 -2.734 3.197) 6.388 5.736 ( 4.808 -2.734 3.197) 6.388 5.798 ( -7.741 -0.546 -2.645) 8.199 5.798 ( 7.741 -0.546 -2.645) 8.199 6.127 ( -11.650 -5.957 -2.522) 13.326 6.127 ( 11.650 -5.957 -2.522) 13.326 6.756 ( -3.690 9.792 -2.260) 10.706 6.756 ( 3.690 9.792 -2.260) 10.706 7.429 ( -4.575 -11.841 -6.419) 14.225 7.429 ( 4.575 -11.841 -6.419) 14.225 8.200 ( -3.635 5.513 -7.949) 10.334 8.200 ( 3.635 5.513 -7.949) 10.334 8.494 ( -6.662 -2.261 -2.918) 7.617 8.494 ( 6.662 -2.261 -2.918) 7.617 9.114 ( -1.252 4.642 -2.098) 5.246 9.114 ( 1.252 4.642 -2.098) 5.246 9.475 ( -3.002 -4.356 -7.181) 8.920 9.475 ( 3.002 -4.356 -7.181) 8.920 10.100 ( -6.427 3.992 2.172) 7.872 10.100 ( 6.427 3.992 2.172) 7.872 10.216 ( -6.360 1.063 2.626) 6.962 10.216 ( 6.360 1.063 2.626) 6.962 10.532 ( -6.051 -0.906 -4.854) 7.810 10.532 ( 6.051 -0.906 -4.854) 7.810 10.879 ( -5.405 -5.733 -8.955) 11.928 10.879 ( 5.405 -5.733 -8.955) 11.928 12.104 ( -6.341 9.328 8.906) 14.371 12.104 ( 6.341 9.328 8.906) 14.371 12.726 ( -0.042 3.178 -0.216) 3.186 12.726 ( 0.042 3.178 -0.216) 3.186 14.015 ( -7.020 5.168 3.878) 9.541 14.015 ( 7.020 5.168 3.878) 9.541 14.714 ( -1.988 -9.410 -6.589) 11.658 14.714 ( 1.988 -9.410 -6.589) 11.658 ======================= Grid point 216 (76/140) ======================= q-point: ( 0.00 0.43 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 0.000 11.054 10.574) 15.297 2.336 ( 0.000 -10.180 5.141) 11.404 2.499 ( 0.000 16.240 17.236) 23.681 2.864 ( 0.000 -17.322 14.329) 22.480 3.448 ( 0.000 3.838 1.577) 4.149 3.589 ( 0.000 -8.276 8.269) 11.700 3.771 ( 0.000 19.425 13.517) 23.665 3.962 ( 0.000 0.084 10.036) 10.036 4.149 ( 0.000 10.264 10.317) 14.553 4.361 ( 0.000 -7.276 6.549) 9.790 4.755 ( 0.000 -3.866 9.725) 10.465 4.895 ( 0.000 -16.970 4.771) 17.628 5.039 ( 0.000 4.793 -4.055) 6.278 5.087 ( 0.000 0.190 3.217) 3.222 5.644 ( 0.000 -0.200 -1.539) 1.552 5.671 ( 0.000 -2.267 4.997) 5.487 6.150 ( 0.000 0.414 -11.494) 11.501 6.150 ( 0.000 0.273 -9.068) 9.072 6.627 ( 0.000 6.440 -8.262) 10.476 6.763 ( 0.000 -6.041 -8.324) 10.285 6.925 ( 0.000 3.021 1.386) 3.324 7.007 ( 0.000 -5.456 0.734) 5.505 7.230 ( 0.000 -0.967 -1.304) 1.623 7.238 ( 0.000 -1.790 0.776) 1.951 7.858 ( 0.000 8.988 1.560) 9.123 8.027 ( 0.000 -6.532 0.606) 6.560 8.072 ( 0.000 4.217 -3.132) 5.254 8.166 ( 0.000 -4.696 -1.618) 4.967 9.079 ( 0.000 4.917 -7.231) 8.744 9.135 ( 0.000 -0.366 -4.798) 4.812 9.444 ( 0.000 3.371 -11.730) 12.205 9.536 ( 0.000 -4.957 -8.214) 9.594 9.936 ( 0.000 3.219 -5.803) 6.636 10.031 ( 0.000 -4.651 -5.601) 7.280 10.310 ( 0.000 2.954 2.258) 3.718 10.358 ( 0.000 -2.548 -5.385) 5.958 10.830 ( 0.000 2.180 -2.057) 2.997 10.890 ( 0.000 -3.478 0.935) 3.601 11.015 ( 0.000 2.529 0.832) 2.662 11.033 ( 0.000 -0.160 0.740) 0.757 11.790 ( 0.000 15.183 4.792) 15.922 12.149 ( 0.000 -17.697 4.465) 18.252 12.520 ( 0.000 9.509 5.866) 11.173 12.627 ( 0.000 0.227 -1.431) 1.449 13.983 ( 0.000 12.543 -0.277) 12.546 14.287 ( 0.000 -15.756 -6.454) 17.026 14.672 ( 0.000 5.064 -2.600) 5.693 14.765 ( 0.000 -3.592 -1.522) 3.901 ======================= Grid point 217 (77/140) ======================= q-point: ( 0.12 0.43 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 0.587 13.199 10.301) 16.753 2.362 ( 2.690 -11.571 4.403) 12.669 2.560 ( 5.552 14.950 15.753) 22.416 2.874 ( 0.923 -14.874 12.799) 19.644 3.429 ( -0.910 5.481 2.449) 6.072 3.580 ( -1.754 -8.098 6.759) 10.693 3.856 ( 7.784 16.155 12.822) 22.044 4.014 ( 1.507 -0.922 8.654) 8.833 4.113 ( -0.484 8.892 12.064) 14.995 4.314 ( -3.647 -6.480 5.887) 9.484 4.751 ( -0.404 -3.171 9.679) 10.193 4.867 ( -2.003 -10.599 4.194) 11.574 5.092 ( 4.739 0.901 -0.633) 4.865 5.151 ( 5.887 -1.122 -0.112) 5.994 5.612 ( -2.035 1.561 1.149) 2.810 5.677 ( -0.296 -4.354 2.728) 5.146 6.094 ( -5.490 1.181 -8.187) 9.928 6.113 ( -4.104 -0.786 -8.197) 9.201 6.609 ( -4.098 8.192 -8.287) 12.353 6.784 ( -4.054 -3.035 -4.848) 7.011 6.795 ( -3.171 -1.532 -2.769) 4.480 6.852 ( -11.653 -5.310 1.165) 12.858 7.253 ( 1.275 0.521 0.452) 1.449 7.268 ( 1.847 -0.722 0.253) 1.999 7.941 ( 5.767 6.004 -1.938) 8.547 8.070 ( 2.248 -5.332 -1.451) 5.966 8.155 ( 7.967 2.357 -2.524) 8.683 8.227 ( 7.827 -3.656 -1.545) 8.775 9.085 ( 0.842 4.919 -6.252) 8.000 9.139 ( 0.376 -0.104 -4.293) 4.310 9.424 ( -1.944 3.325 -10.483) 11.168 9.521 ( -1.606 -5.171 -8.122) 9.761 9.959 ( 2.116 2.371 -4.946) 5.879 10.033 ( 0.196 -3.837 -4.075) 5.601 10.306 ( 0.236 4.592 -0.282) 4.607 10.390 ( 2.858 -3.942 -6.236) 7.912 10.751 ( -7.152 2.361 -0.904) 7.586 10.807 ( -7.751 -2.928 3.735) 9.088 10.978 ( -3.317 3.219 -0.871) 4.703 11.031 ( -1.404 -1.813 -2.929) 3.720 11.857 ( 6.397 14.812 5.709) 17.115 12.208 ( 5.680 -17.249 4.946) 18.822 12.528 ( 0.519 10.118 6.485) 12.029 12.650 ( 2.100 -0.535 -0.485) 2.221 13.996 ( 1.312 12.643 -0.690) 12.729 14.301 ( 1.388 -15.669 -6.638) 17.074 14.624 ( -4.771 5.921 -2.374) 7.966 14.736 ( -2.841 -4.546 -1.830) 5.665 ======================= Grid point 218 (78/140) ======================= q-point: ( 0.25 0.43 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 6.297 14.622 8.153) 17.886 2.445 ( 5.854 -11.948 3.108) 13.663 2.681 ( 5.811 11.349 12.614) 17.936 2.886 ( -0.132 -9.094 9.348) 13.043 3.419 ( -0.818 7.850 2.916) 8.414 3.529 ( -2.861 -0.684 7.230) 7.805 3.897 ( -5.628 0.274 8.753) 10.409 3.974 ( -4.270 -6.544 6.502) 10.165 4.204 ( 8.853 8.153 10.753) 16.139 4.341 ( 7.974 -0.360 7.708) 11.096 4.739 ( -0.973 -1.063 9.123) 9.236 4.835 ( -1.236 -5.626 4.505) 7.313 5.198 ( 5.368 1.174 2.317) 5.964 5.295 ( 8.490 -4.166 -2.135) 9.695 5.597 ( 1.240 1.819 0.887) 2.373 5.660 ( -0.941 -4.265 2.171) 4.877 5.940 ( -9.907 2.365 -3.005) 10.620 5.996 ( -7.485 -2.955 -2.642) 8.470 6.389 ( -14.710 7.454 -2.859) 16.737 6.556 ( -15.267 -7.912 -3.294) 17.508 6.767 ( 3.089 5.170 -3.144) 6.794 6.873 ( 5.117 -3.719 -4.694) 7.877 7.230 ( -2.950 2.657 -0.761) 4.042 7.314 ( 1.372 -4.012 -0.456) 4.264 8.049 ( 5.958 2.894 -5.158) 8.395 8.107 ( 2.985 -2.814 -4.187) 5.862 8.335 ( 8.397 2.777 -3.202) 9.406 8.415 ( 8.800 -4.584 -2.611) 10.260 9.120 ( 2.765 4.194 -4.813) 6.957 9.152 ( 1.186 1.557 -3.117) 3.680 9.379 ( -2.184 2.546 -8.905) 9.516 9.476 ( -2.747 -5.418 -7.309) 9.504 10.005 ( 2.405 1.029 -1.399) 2.967 10.042 ( 0.874 -2.339 -0.475) 2.541 10.339 ( 3.384 6.517 -5.218) 9.009 10.454 ( 2.544 -4.376 -8.327) 9.745 10.589 ( -8.247 0.944 0.694) 8.329 10.622 ( -10.212 -2.196 5.543) 11.825 10.883 ( -6.237 3.910 -3.775) 8.272 10.972 ( -4.483 -4.208 -6.779) 9.152 12.015 ( 9.238 14.533 7.346) 18.722 12.349 ( 8.216 -15.864 5.986) 18.841 12.527 ( -1.020 11.530 7.854) 13.988 12.692 ( 1.676 -2.921 1.897) 3.865 14.035 ( 2.751 12.961 -1.695) 13.358 14.340 ( 2.632 -15.244 -6.961) 16.963 14.501 ( -7.418 8.012 -2.108) 11.121 14.662 ( -4.452 -6.992 -2.787) 8.745 ======================= Grid point 219 (79/140) ======================= q-point: ( 0.38 0.43 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 11.854 12.618 5.482) 18.160 2.586 ( 8.292 -9.445 2.672) 12.850 2.737 ( -1.765 6.252 7.819) 10.165 2.853 ( -3.461 -4.618 6.316) 8.555 3.375 ( -2.062 16.966 4.724) 17.731 3.486 ( -2.571 7.611 7.968) 11.315 3.796 ( -3.594 -10.532 6.734) 13.007 3.849 ( -5.626 -16.421 4.719) 17.988 4.407 ( 9.933 7.761 5.914) 13.924 4.522 ( 8.140 2.091 7.562) 11.306 4.709 ( -1.613 -1.554 7.530) 7.856 4.810 ( -1.920 -5.665 6.548) 8.869 5.295 ( 5.410 5.862 4.445) 9.132 5.466 ( 8.493 -7.791 -0.086) 11.525 5.623 ( -4.161 3.563 -3.118) 6.303 5.686 ( 5.536 0.533 2.941) 6.292 5.751 ( -6.743 1.059 0.778) 6.870 5.865 ( -2.758 -6.676 3.222) 7.909 6.111 ( -13.526 6.277 -0.931) 14.941 6.258 ( -14.876 -7.531 -2.647) 16.882 6.857 ( 5.588 8.154 -3.823) 10.598 6.978 ( 4.512 1.184 -3.648) 5.922 7.160 ( -3.118 -1.162 -3.145) 4.578 7.291 ( -3.796 -8.883 -2.737) 10.041 8.181 ( 7.557 3.185 -5.472) 9.859 8.217 ( 7.810 0.003 -5.828) 9.744 8.425 ( 0.375 2.119 -4.270) 4.781 8.503 ( -0.566 -4.814 -4.161) 6.388 9.183 ( 3.266 3.937 -3.670) 6.296 9.197 ( 3.471 4.641 -3.977) 7.028 9.352 ( -0.532 -1.075 -7.664) 7.758 9.422 ( -2.818 -5.593 -6.531) 9.049 10.059 ( 3.687 1.268 2.501) 4.632 10.082 ( 3.661 -1.161 3.186) 4.991 10.347 ( -9.042 2.429 1.837) 9.541 10.395 ( -9.993 -2.588 4.756) 11.366 10.450 ( 5.151 7.099 -7.576) 11.590 10.603 ( 5.283 -6.382 -9.256) 12.422 10.747 ( -7.282 3.965 -6.361) 10.450 10.865 ( -6.275 -6.197 -8.989) 12.593 12.199 ( 9.212 14.492 8.719) 19.259 12.475 ( -3.656 12.082 8.892) 15.440 12.510 ( 7.125 -12.626 6.894) 16.053 12.698 ( -1.324 -6.597 4.599) 8.150 14.105 ( 4.494 13.167 -2.649) 14.163 14.348 ( -7.338 10.002 -2.926) 12.745 14.405 ( 3.342 -13.779 -6.247) 15.494 14.571 ( -4.732 -9.973 -4.261) 11.832 ======================= Grid point 220 (80/140) ======================= q-point: (-0.50 0.43 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( -11.695 8.337 4.938) 15.187 2.588 ( 11.695 8.337 4.937) 15.187 2.748 ( -7.263 -6.061 3.591) 10.118 2.748 ( 7.263 -6.061 3.591) 10.118 3.404 ( -4.520 16.750 7.004) 18.710 3.404 ( 4.520 16.750 7.004) 18.710 3.780 ( -1.709 -17.854 5.374) 18.723 3.780 ( 1.709 -17.854 5.374) 18.723 4.557 ( -4.703 8.165 4.200) 10.316 4.557 ( 4.703 8.165 4.200) 10.316 4.742 ( -4.624 -8.093 8.061) 12.323 4.742 ( 4.624 -8.093 8.061) 12.323 5.445 ( -9.971 8.107 3.534) 13.328 5.445 ( 9.971 8.107 3.534) 13.328 5.615 ( -7.151 -7.281 1.609) 10.331 5.615 ( 7.151 -7.281 1.609) 10.331 5.864 ( -11.334 4.916 0.482) 12.364 5.864 ( 11.334 4.916 0.482) 12.364 5.990 ( -12.023 -6.764 -0.396) 13.801 5.990 ( 12.023 -6.764 -0.396) 13.801 6.967 ( -4.928 10.391 -3.172) 11.930 6.967 ( 4.928 10.391 -3.172) 11.930 7.190 ( -5.439 -11.022 -4.403) 13.056 7.190 ( 5.439 -11.022 -4.403) 13.056 8.315 ( -3.509 5.457 -6.069) 8.883 8.315 ( 3.509 5.457 -6.069) 8.883 8.421 ( -4.791 -4.523 -4.365) 7.903 8.421 ( 4.791 -4.523 -4.365) 7.903 9.234 ( -0.947 6.454 -4.434) 7.887 9.234 ( 0.947 6.454 -4.434) 7.887 9.367 ( -2.356 -6.005 -6.533) 9.181 9.367 ( 2.356 -6.005 -6.533) 9.181 10.157 ( -3.825 2.759 3.816) 6.067 10.157 ( 3.825 2.759 3.816) 6.067 10.217 ( -4.512 -2.171 5.564) 7.485 10.217 ( 4.512 -2.171 5.564) 7.485 10.586 ( -7.419 6.056 -9.507) 13.494 10.586 ( 7.419 6.056 -9.507) 13.494 10.737 ( -6.445 -7.527 -9.414) 13.668 10.737 ( 6.445 -7.527 -9.414) 13.668 12.362 ( -7.316 14.134 9.377) 18.472 12.362 ( 7.316 14.134 9.377) 18.472 12.636 ( -5.025 -10.483 6.401) 13.270 12.636 ( 5.025 -10.483 6.401) 13.270 14.211 ( -6.324 12.485 -2.920) 14.297 14.211 ( 6.324 12.485 -2.920) 14.297 14.482 ( -4.331 -12.589 -5.714) 14.488 14.482 ( 4.331 -12.589 -5.714) 14.488 ======================= Grid point 252 (81/140) ======================= q-point: ( 0.00 0.00 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 0.000 0.000 23.106) 23.106 2.155 ( 0.000 0.000 24.168) 24.168 2.850 ( 0.000 0.000 6.581) 6.581 3.266 ( 0.000 0.000 -6.042) 6.042 3.460 ( 0.000 0.000 30.335) 30.335 3.563 ( 0.000 0.000 6.068) 6.068 3.994 ( 0.000 0.000 1.910) 1.910 4.128 ( 0.000 0.000 1.831) 1.831 4.141 ( 0.000 0.000 -9.776) 9.776 4.457 ( 0.000 0.000 5.974) 5.974 4.789 ( 0.000 0.000 0.226) 0.226 5.066 ( 0.000 0.000 -0.360) 0.360 5.104 ( 0.000 0.000 12.678) 12.678 5.401 ( 0.000 0.000 -7.613) 7.613 5.648 ( 0.000 0.000 -10.701) 10.701 5.792 ( 0.000 0.000 -0.777) 0.777 5.862 ( 0.000 0.000 -7.912) 7.912 6.333 ( 0.000 0.000 0.011) 0.011 6.496 ( 0.000 0.000 1.124) 1.124 6.675 ( 0.000 0.000 -3.284) 3.284 6.693 ( 0.000 0.000 -3.008) 3.008 7.195 ( 0.000 0.000 -27.336) 27.336 7.444 ( 0.000 0.000 7.549) 7.549 7.544 ( 0.000 0.000 17.078) 17.078 7.561 ( 0.000 0.000 8.100) 8.100 8.057 ( 0.000 0.000 -4.393) 4.393 8.242 ( 0.000 0.000 -8.520) 8.520 8.385 ( 0.000 0.000 3.826) 3.826 8.422 ( 0.000 0.000 2.066) 2.066 8.739 ( 0.000 0.000 -11.571) 11.571 9.470 ( 0.000 0.000 -6.082) 6.082 9.647 ( 0.000 0.000 -7.598) 7.598 9.848 ( 0.000 0.000 -3.916) 3.916 9.876 ( 0.000 0.000 -4.579) 4.579 10.152 ( 0.000 0.000 3.416) 3.416 10.602 ( 0.000 0.000 -12.998) 12.998 10.707 ( 0.000 0.000 -8.199) 8.199 10.715 ( 0.000 0.000 -3.191) 3.191 10.751 ( 0.000 0.000 7.347) 7.347 11.138 ( 0.000 0.000 -1.092) 1.092 11.643 ( 0.000 0.000 7.628) 7.628 12.073 ( 0.000 0.000 6.399) 6.399 12.293 ( 0.000 0.000 -5.599) 5.599 12.371 ( 0.000 0.000 -0.349) 0.349 13.751 ( 0.000 0.000 9.075) 9.075 14.673 ( 0.000 0.000 -12.640) 12.640 14.677 ( 0.000 0.000 7.916) 7.916 14.903 ( 0.000 0.000 1.541) 1.541 ======================= Grid point 253 (82/140) ======================= q-point: ( 0.12 0.00 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -8.519 0.000 23.931) 25.402 2.103 ( 5.721 0.000 21.860) 22.596 2.883 ( 0.884 0.000 1.963) 2.153 3.228 ( -3.963 0.000 -4.590) 6.064 3.527 ( -4.219 0.000 14.143) 14.759 3.588 ( 9.891 0.000 20.236) 22.524 3.959 ( -1.389 0.000 2.844) 3.165 4.012 ( -5.006 0.000 -0.911) 5.088 4.254 ( 4.184 0.000 -5.051) 6.559 4.453 ( 1.353 0.000 6.464) 6.604 4.795 ( 1.413 0.000 3.316) 3.604 5.117 ( 4.173 0.000 1.839) 4.560 5.174 ( 6.684 0.000 7.094) 9.747 5.402 ( 0.247 0.000 -6.315) 6.320 5.620 ( -2.750 0.000 -10.246) 10.609 5.771 ( -3.779 0.000 -1.897) 4.228 5.879 ( 3.073 0.000 -5.028) 5.893 6.326 ( -0.799 0.000 -0.029) 0.800 6.474 ( -1.878 0.000 1.023) 2.138 6.524 ( -11.744 0.000 2.964) 12.112 6.706 ( -3.237 0.000 -4.301) 5.383 7.092 ( -11.070 0.000 -22.966) 25.494 7.286 ( -5.104 0.000 10.415) 11.598 7.425 ( -0.030 0.000 4.840) 4.840 7.905 ( 13.647 0.000 8.176) 15.909 7.992 ( -4.924 0.000 -6.905) 8.481 8.200 ( -1.684 0.000 -8.817) 8.976 8.474 ( 7.206 0.000 3.606) 8.058 8.572 ( 13.664 0.000 1.706) 13.770 8.782 ( 2.795 0.000 -9.336) 9.745 9.477 ( 0.670 0.000 -5.435) 5.477 9.633 ( -1.238 0.000 -7.019) 7.127 9.799 ( -3.007 0.000 -3.304) 4.468 9.917 ( 2.186 0.000 -4.308) 4.831 10.132 ( -1.739 0.000 2.385) 2.952 10.529 ( -10.028 0.000 -6.241) 11.811 10.633 ( 2.890 0.000 -12.589) 12.916 10.733 ( -1.669 0.000 7.456) 7.641 10.827 ( 3.998 0.000 -5.370) 6.695 11.096 ( -4.176 0.000 -0.103) 4.178 11.693 ( 4.796 0.000 6.433) 8.024 12.088 ( 1.448 0.000 5.567) 5.752 12.290 ( -0.401 0.000 -5.462) 5.477 12.362 ( -0.916 0.000 -0.356) 0.983 13.802 ( 4.862 0.000 8.394) 9.700 14.628 ( -4.603 0.000 7.102) 8.464 14.684 ( 0.878 0.000 -11.095) 11.130 14.892 ( -1.044 0.000 0.867) 1.357 ======================= Grid point 254 (83/140) ======================= q-point: ( 0.25 0.00 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 0.516 0.000 20.123) 20.130 2.258 ( 9.809 0.000 18.585) 21.014 2.884 ( 0.493 0.000 -2.810) 2.853 3.111 ( -7.874 0.000 -0.785) 7.913 3.291 ( -17.769 0.000 7.704) 19.368 3.659 ( -7.142 0.000 3.600) 7.998 3.954 ( -0.781 0.000 1.685) 1.857 4.125 ( 19.321 0.000 18.966) 27.074 4.271 ( -2.423 0.000 -0.482) 2.471 4.570 ( 10.627 0.000 7.775) 13.167 4.873 ( 6.702 0.000 2.606) 7.190 5.174 ( 0.421 0.000 7.050) 7.062 5.339 ( 9.021 0.000 -1.421) 9.133 5.420 ( 1.566 0.000 -5.135) 5.368 5.552 ( -3.187 0.000 -8.359) 8.946 5.647 ( -7.899 0.000 3.069) 8.474 5.972 ( 5.827 0.000 -3.276) 6.685 6.252 ( -14.710 0.000 8.590) 17.034 6.293 ( -2.859 0.000 -0.505) 2.903 6.440 ( -1.295 0.000 0.825) 1.535 6.581 ( -8.379 0.000 -1.884) 8.589 6.811 ( -15.949 0.000 -14.272) 21.402 7.349 ( 9.301 0.000 1.926) 9.498 7.460 ( 3.166 0.000 -3.046) 4.394 7.887 ( -5.772 0.000 -8.777) 10.504 7.989 ( -1.956 0.000 -6.270) 6.568 8.283 ( 7.415 0.000 1.836) 7.639 8.653 ( 10.582 0.000 2.294) 10.828 8.791 ( -2.605 0.000 -5.489) 6.075 8.851 ( 13.222 0.000 0.537) 13.233 9.493 ( 0.863 0.000 -3.834) 3.930 9.606 ( -1.460 0.000 -5.582) 5.770 9.752 ( -1.399 0.000 -1.466) 2.026 9.947 ( 0.669 0.000 -3.514) 3.577 10.102 ( -0.785 0.000 -0.306) 0.843 10.350 ( -7.816 0.000 -6.933) 10.448 10.694 ( -2.074 0.000 7.618) 7.896 10.702 ( 3.897 0.000 -10.826) 11.506 10.876 ( 1.202 0.000 -6.982) 7.084 10.983 ( -7.131 0.000 2.184) 7.458 11.815 ( 7.284 0.000 4.018) 8.318 12.127 ( 2.495 0.000 3.721) 4.481 12.271 ( -1.729 0.000 -4.952) 5.245 12.336 ( -1.784 0.000 -0.313) 1.811 13.921 ( 6.816 0.000 7.570) 10.187 14.507 ( -7.386 0.000 8.458) 11.229 14.709 ( 1.610 0.000 -10.662) 10.783 14.864 ( -1.787 0.000 -1.090) 2.093 ======================= Grid point 255 (84/140) ======================= q-point: ( 0.38 0.00 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 13.077 0.000 13.014) 18.450 2.472 ( 11.775 0.000 14.158) 18.415 2.832 ( -17.105 0.000 -0.440) 17.111 2.928 ( -10.659 0.000 4.113) 11.425 3.002 ( 0.986 0.000 1.626) 1.901 3.432 ( -13.959 0.000 -2.437) 14.170 3.979 ( 3.180 0.000 3.868) 5.007 4.183 ( -5.787 0.000 3.945) 7.004 4.540 ( 20.863 0.000 18.436) 27.842 4.827 ( 14.642 0.000 8.379) 16.870 5.035 ( 9.214 0.000 -1.297) 9.305 5.110 ( -7.031 0.000 11.417) 13.408 5.360 ( -10.058 0.000 0.245) 10.061 5.367 ( -6.060 0.000 -7.118) 9.348 5.591 ( 4.785 0.000 5.786) 7.509 5.648 ( 12.806 0.000 -5.490) 13.933 5.979 ( -12.830 0.000 10.026) 16.283 6.096 ( 6.566 0.000 -2.170) 6.915 6.185 ( -9.423 0.000 -3.525) 10.061 6.406 ( -9.149 0.000 -0.381) 9.157 6.426 ( -0.154 0.000 0.221) 0.269 6.542 ( -9.749 0.000 -7.372) 12.223 7.539 ( 4.836 0.000 -7.460) 8.891 7.577 ( 12.682 0.000 -3.836) 13.249 7.768 ( -6.352 0.000 -9.521) 11.445 7.930 ( -4.147 0.000 -9.586) 10.445 8.402 ( 5.271 0.000 3.593) 6.379 8.683 ( -7.802 0.000 -1.702) 7.985 8.861 ( 10.061 0.000 0.913) 10.102 9.033 ( 4.422 0.000 -1.170) 4.574 9.512 ( 1.198 0.000 -2.685) 2.940 9.575 ( -1.716 0.000 -3.783) 4.154 9.765 ( 3.164 0.000 0.505) 3.204 9.934 ( -2.231 0.000 -1.969) 2.976 10.111 ( 1.613 0.000 -3.491) 3.846 10.229 ( -4.672 0.000 -6.812) 8.260 10.670 ( 0.110 0.000 7.393) 7.394 10.777 ( 3.639 0.000 -9.561) 10.230 10.835 ( -7.497 0.000 4.597) 8.794 10.877 ( -1.009 0.000 -8.695) 8.753 11.965 ( 7.884 0.000 1.112) 7.962 12.181 ( 2.979 0.000 1.909) 3.539 12.215 ( -4.115 0.000 -3.790) 5.594 12.294 ( -2.503 0.000 -0.050) 2.504 14.057 ( 7.124 0.000 7.812) 10.572 14.354 ( -8.078 0.000 8.944) 12.052 14.744 ( 2.007 0.000 -9.076) 9.295 14.826 ( -2.062 0.000 -3.886) 4.399 ======================= Grid point 256 (85/140) ======================= q-point: (-0.50 0.00 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( -20.891 0.000 6.733) 21.950 2.419 ( 20.891 0.000 6.733) 21.950 2.705 ( -11.954 0.000 9.218) 15.095 2.705 ( 11.954 0.000 9.218) 15.095 3.167 ( -12.181 0.000 -3.807) 12.762 3.167 ( 12.181 0.000 -3.807) 12.762 4.068 ( -5.587 0.000 5.002) 7.499 4.068 ( 5.587 0.000 5.002) 7.499 4.894 ( -14.703 0.000 15.124) 21.093 4.894 ( 14.703 0.000 15.124) 21.093 5.115 ( -13.943 0.000 5.920) 15.148 5.115 ( 13.943 0.000 5.920) 15.148 5.214 ( -8.878 0.000 -4.681) 10.036 5.214 ( 8.878 0.000 -4.681) 10.036 5.750 ( -10.372 0.000 7.431) 12.759 5.750 ( 10.372 0.000 7.431) 12.759 5.931 ( -15.042 0.000 -6.620) 16.435 5.931 ( 15.042 0.000 -6.620) 16.435 6.238 ( -7.959 0.000 -0.243) 7.963 6.238 ( 7.959 0.000 -0.243) 7.963 6.440 ( -2.011 0.000 -1.673) 2.616 6.440 ( 2.011 0.000 -1.673) 2.616 7.646 ( -6.040 0.000 -9.305) 11.093 7.646 ( 6.040 0.000 -9.305) 11.093 7.801 ( -9.452 0.000 -7.797) 12.253 7.801 ( 9.452 0.000 -7.797) 12.253 8.523 ( -7.616 0.000 1.562) 7.774 8.523 ( 7.616 0.000 1.562) 7.774 9.018 ( -5.283 0.000 -0.750) 5.336 9.018 ( 5.283 0.000 -0.750) 5.336 9.541 ( -1.728 0.000 -2.689) 3.196 9.541 ( 1.728 0.000 -2.689) 3.196 9.858 ( -5.220 0.000 0.013) 5.220 9.858 ( 5.220 0.000 0.013) 5.220 10.157 ( -2.969 0.000 -5.667) 6.398 10.157 ( 2.969 0.000 -5.667) 6.398 10.713 ( -4.473 0.000 6.400) 7.808 10.713 ( 4.473 0.000 6.400) 7.808 10.840 ( -2.689 0.000 -9.228) 9.612 10.840 ( 2.689 0.000 -9.228) 9.612 12.110 ( -6.613 0.000 -1.718) 6.833 12.110 ( 6.613 0.000 -1.718) 6.833 12.240 ( -2.944 0.000 0.639) 3.013 12.240 ( 2.944 0.000 0.639) 3.013 14.200 ( -7.592 0.000 8.595) 11.468 14.200 ( 7.592 0.000 8.595) 11.468 14.785 ( -2.106 0.000 -6.745) 7.066 14.785 ( 2.106 0.000 -6.745) 7.066 ======================= Grid point 261 (86/140) ======================= q-point: ( 0.00 0.14 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 0.000 10.314 19.282) 21.867 2.170 ( 0.000 1.460 21.699) 21.748 2.838 ( 0.000 -2.468 5.520) 6.047 3.292 ( 0.000 2.288 -5.686) 6.129 3.472 ( 0.000 3.730 29.517) 29.752 3.551 ( 0.000 -2.384 7.134) 7.522 3.968 ( 0.000 0.170 2.001) 2.008 4.024 ( 0.000 -5.953 -1.228) 6.078 4.257 ( 0.000 5.509 9.377) 10.876 4.520 ( 0.000 2.404 1.242) 2.706 4.640 ( 0.000 -6.704 -6.798) 9.547 5.137 ( 0.000 2.858 12.313) 12.640 5.154 ( 0.000 3.337 2.402) 4.112 5.414 ( 0.000 0.927 -6.834) 6.896 5.561 ( 0.000 -7.657 -10.990) 13.395 5.757 ( 0.000 -2.665 -0.769) 2.774 5.879 ( 0.000 1.426 -8.201) 8.324 6.282 ( 0.000 -4.844 1.994) 5.239 6.447 ( 0.000 -2.986 -1.841) 3.508 6.675 ( 0.000 -1.387 -10.831) 10.919 6.757 ( 0.000 6.131 -0.285) 6.138 7.195 ( 0.000 -1.034 -16.295) 16.328 7.401 ( 0.000 -4.057 6.007) 7.249 7.494 ( 0.000 -5.672 6.120) 8.344 7.574 ( 0.000 3.468 11.793) 12.293 8.078 ( 0.000 1.394 -3.149) 3.444 8.079 ( 0.000 -7.125 -0.256) 7.130 8.369 ( 0.000 -4.193 0.427) 4.215 8.587 ( 0.000 11.375 -3.375) 11.865 8.824 ( 0.000 7.160 -9.137) 11.609 9.371 ( 0.000 -8.023 -7.032) 10.669 9.607 ( 0.000 -4.097 -8.512) 9.447 9.840 ( 0.000 -0.524 -2.846) 2.894 9.900 ( 0.000 3.153 -3.284) 4.553 10.225 ( 0.000 5.332 3.457) 6.355 10.471 ( 0.000 -10.316 -11.639) 15.553 10.650 ( 0.000 -1.433 -3.002) 3.326 10.753 ( 0.000 3.625 -7.141) 8.009 10.887 ( 0.000 8.074 5.925) 10.015 11.200 ( 0.000 3.085 0.508) 3.126 11.613 ( 0.000 -1.397 6.283) 6.437 12.195 ( 0.000 10.129 7.412) 12.551 12.209 ( 0.000 0.134 -6.240) 6.241 12.541 ( 0.000 6.869 -1.088) 6.954 13.756 ( 0.000 1.295 7.238) 7.353 14.599 ( 0.000 -6.864 -12.367) 14.144 14.655 ( 0.000 -1.895 6.956) 7.209 14.883 ( 0.000 -1.886 1.062) 2.164 ======================= Grid point 262 (87/140) ======================= q-point: ( 0.12 0.14 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -6.581 3.031 20.977) 22.193 2.244 ( 5.527 11.348 19.326) 23.083 2.820 ( -1.739 -5.296 2.052) 5.940 3.278 ( -2.599 3.585 -3.934) 5.923 3.502 ( -4.035 -2.886 10.549) 11.657 3.616 ( 8.703 2.859 21.891) 23.730 3.850 ( -3.203 -2.340 4.319) 5.864 4.125 ( 5.315 0.389 -0.535) 5.356 4.255 ( -2.143 6.263 4.622) 8.074 4.493 ( 1.414 -2.887 4.170) 5.265 4.672 ( 1.453 -4.313 -2.238) 5.072 5.136 ( 2.146 1.682 6.219) 6.791 5.228 ( 5.095 1.395 5.619) 7.712 5.422 ( 0.870 1.694 -6.814) 7.075 5.541 ( -1.808 -7.105 -9.008) 11.614 5.768 ( -0.811 -0.849 -1.084) 1.598 5.866 ( 0.127 -0.204 -6.283) 6.288 6.262 ( -1.946 -4.400 2.623) 5.480 6.425 ( -2.624 -3.862 -1.554) 4.921 6.609 ( -7.439 5.067 -3.086) 9.515 6.707 ( -4.529 0.924 -5.252) 6.996 7.072 ( -11.553 -2.256 -11.176) 16.231 7.291 ( -5.008 0.340 5.624) 7.538 7.404 ( 0.847 -2.539 4.022) 4.831 7.790 ( 5.400 -4.902 0.665) 7.324 8.058 ( 6.429 2.549 1.976) 7.192 8.180 ( -0.557 -1.575 -7.484) 7.668 8.421 ( 8.943 -4.553 2.604) 10.368 8.658 ( 6.720 7.496 -1.718) 10.213 8.862 ( 2.736 6.460 -7.165) 10.028 9.383 ( 1.147 -7.774 -6.369) 10.115 9.579 ( -2.584 -4.151 -7.824) 9.227 9.850 ( 0.620 2.263 -2.727) 3.597 9.904 ( 0.860 1.227 -3.640) 3.936 10.197 ( -2.474 4.585 2.683) 5.860 10.494 ( 0.012 -8.453 -11.549) 14.312 10.550 ( -5.287 -0.226 -4.836) 7.169 10.766 ( -0.904 2.795 -1.069) 3.126 10.886 ( -0.104 4.951 2.059) 5.363 11.126 ( -6.239 1.008 1.182) 6.429 11.700 ( 7.479 0.501 5.168) 9.105 12.184 ( -0.460 7.665 4.202) 8.753 12.235 ( 1.973 3.804 -3.101) 5.290 12.547 ( 0.419 8.145 -1.336) 8.265 13.795 ( 3.839 0.215 6.869) 7.872 14.594 ( -2.861 -4.413 -2.288) 5.735 14.622 ( -0.913 -4.389 -2.422) 5.096 14.870 ( -1.335 -2.166 0.442) 2.583 ======================= Grid point 263 (88/140) ======================= q-point: ( 0.25 0.14 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 1.167 4.707 18.123) 18.761 2.386 ( 8.769 11.356 16.897) 22.167 2.798 ( 0.179 -6.445 -2.564) 6.939 3.174 ( -7.546 3.769 0.602) 8.456 3.308 ( -16.111 1.479 7.123) 17.677 3.592 ( -5.941 -3.771 4.637) 8.427 4.046 ( 8.612 3.909 10.220) 13.925 4.142 ( 3.555 3.459 2.088) 5.381 4.267 ( 4.617 1.437 7.801) 9.178 4.605 ( 8.788 -0.840 8.956) 12.576 4.707 ( 3.264 -9.348 1.374) 9.997 5.193 ( 2.001 0.632 5.334) 5.731 5.351 ( 7.939 -1.332 1.730) 8.234 5.437 ( -0.415 -0.135 -9.657) 9.667 5.513 ( -0.145 -2.327 -2.994) 3.795 5.676 ( -6.963 2.735 2.778) 7.981 5.917 ( 3.632 -4.124 -3.647) 6.595 6.189 ( -6.727 -1.263 6.009) 9.108 6.331 ( -6.579 -7.617 -0.176) 10.067 6.429 ( -7.651 6.678 -0.368) 10.162 6.629 ( -3.980 2.726 -7.266) 8.722 6.804 ( -14.141 -0.164 -6.284) 15.475 7.318 ( 5.572 -3.412 -0.419) 6.547 7.443 ( 3.202 -1.823 -0.169) 3.689 7.833 ( 1.187 -1.169 -6.080) 6.304 8.041 ( -5.593 2.125 -8.363) 10.283 8.286 ( 8.219 0.349 2.872) 8.713 8.628 ( 9.295 -4.163 0.110) 10.185 8.795 ( 4.594 3.845 -1.213) 6.112 8.919 ( 5.004 4.548 -2.570) 7.234 9.410 ( 1.450 -7.592 -4.510) 8.949 9.523 ( -2.668 -3.966 -6.404) 7.991 9.858 ( 0.572 6.300 -1.520) 6.506 9.941 ( 2.552 -0.052 -4.992) 5.606 10.149 ( -2.047 3.694 1.542) 4.496 10.369 ( -7.489 1.480 -6.972) 10.339 10.584 ( 3.662 -8.953 -9.904) 13.844 10.713 ( -3.916 1.322 3.350) 5.320 10.868 ( -2.180 0.413 -0.117) 2.222 10.996 ( -6.331 -0.312 -0.338) 6.347 11.861 ( 8.429 1.835 4.281) 9.631 12.177 ( -0.463 8.132 4.922) 9.517 12.282 ( 2.910 6.481 -3.925) 8.116 12.547 ( -0.631 10.940 -1.987) 11.137 13.893 ( 5.846 -1.873 6.516) 8.952 14.477 ( -7.645 -2.706 7.094) 10.774 14.642 ( 1.805 -6.206 -10.072) 11.967 14.833 ( -2.273 -2.901 -1.367) 3.931 ======================= Grid point 264 (89/140) ======================= q-point: ( 0.38 0.14 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 12.568 4.692 12.045) 18.029 2.567 ( 9.136 8.372 13.228) 18.126 2.796 ( -6.282 -3.114 -2.925) 7.597 2.951 ( -14.025 3.372 4.767) 15.192 3.052 ( -3.012 3.142 3.841) 5.805 3.419 ( -11.891 -0.296 -0.170) 11.896 4.048 ( 1.099 5.212 2.351) 5.822 4.197 ( -3.213 1.046 3.461) 4.837 4.517 ( 16.315 -2.237 15.578) 22.668 4.788 ( 3.231 -15.414 1.996) 15.875 4.818 ( 12.767 0.032 9.276) 15.781 5.188 ( -2.244 1.719 9.537) 9.947 5.373 ( -4.248 1.468 -7.770) 8.976 5.440 ( -8.411 3.048 2.912) 9.408 5.552 ( 10.550 -4.043 -3.496) 11.827 5.662 ( 7.515 2.288 3.643) 8.660 5.943 ( -4.828 -6.019 -2.576) 8.134 6.016 ( -6.538 0.066 8.247) 10.525 6.231 ( -3.737 -8.621 1.538) 9.521 6.287 ( -8.351 4.011 -5.797) 10.928 6.539 ( -3.623 2.691 -4.794) 6.584 6.606 ( -5.635 7.555 -1.693) 9.576 7.431 ( 5.194 -8.787 -5.674) 11.678 7.523 ( 3.492 -4.182 -4.213) 6.887 7.849 ( 1.023 5.819 -7.160) 9.283 7.964 ( -2.231 3.020 -9.589) 10.298 8.405 ( 4.768 0.124 3.121) 5.700 8.657 ( -5.837 -2.681 -1.397) 6.573 8.902 ( 7.845 3.768 0.031) 8.704 9.035 ( 3.872 0.510 -1.296) 4.115 9.438 ( 1.530 -7.492 -3.324) 8.338 9.486 ( -1.199 -3.569 -4.581) 5.930 9.888 ( 2.751 7.658 -0.393) 8.147 9.982 ( 0.941 2.951 -4.960) 5.848 10.129 ( 0.234 2.746 0.010) 2.756 10.244 ( -5.288 1.514 -5.727) 7.941 10.629 ( -0.901 -7.899 -2.535) 8.345 10.649 ( -0.959 -4.854 -1.999) 5.336 10.812 ( -1.983 -1.281 1.302) 2.695 10.898 ( -3.960 -0.736 -5.090) 6.491 12.010 ( 6.466 1.869 4.219) 7.943 12.158 ( -1.599 6.643 5.144) 8.553 12.352 ( 4.264 11.090 -4.232) 12.613 12.515 ( -2.806 13.425 -2.859) 14.010 14.016 ( 6.768 -3.303 6.962) 10.255 14.317 ( -8.425 -3.207 7.942) 12.014 14.684 ( 2.402 -5.717 -8.868) 10.821 14.785 ( -2.627 -3.886 -3.984) 6.154 ======================= Grid point 265 (90/140) ======================= q-point: (-0.50 0.14 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( -19.262 2.974 6.549) 20.561 2.450 ( 19.262 2.974 6.549) 20.561 2.765 ( -9.003 5.058 7.544) 12.789 2.765 ( 9.003 5.058 7.544) 12.789 3.172 ( -11.858 0.900 -1.653) 12.007 3.172 ( 11.858 0.900 -1.653) 12.007 4.111 ( -4.596 3.586 4.380) 7.292 4.111 ( 4.596 3.586 4.380) 7.292 4.757 ( -7.272 -12.063 7.299) 15.864 4.757 ( 7.272 -12.063 7.299) 15.864 5.068 ( -11.183 0.436 9.274) 14.535 5.068 ( 11.183 0.436 9.274) 14.535 5.326 ( -1.981 4.651 0.279) 5.063 5.326 ( 1.981 4.651 0.279) 5.063 5.749 ( -9.877 -0.941 1.235) 9.998 5.749 ( 9.877 -0.941 1.235) 9.998 5.878 ( -10.778 -3.448 -0.617) 11.333 5.878 ( 10.778 -3.448 -0.617) 11.333 6.188 ( -0.440 -3.256 -0.510) 3.325 6.188 ( 0.440 -3.256 -0.510) 3.325 6.533 ( -2.187 7.143 -2.197) 7.787 6.533 ( 2.187 7.143 -2.197) 7.787 7.518 ( -3.395 -8.832 -7.086) 11.821 7.518 ( 3.395 -8.832 -7.086) 11.821 7.908 ( -4.015 7.054 -8.088) 11.459 7.908 ( 4.015 7.054 -8.088) 11.459 8.515 ( -7.057 -0.986 1.214) 7.228 8.515 ( 7.057 -0.986 1.214) 7.228 9.029 ( -4.128 1.155 -1.041) 4.411 9.029 ( 4.128 1.155 -1.041) 4.411 9.466 ( -1.146 -5.293 -3.502) 6.449 9.466 ( 1.146 -5.293 -3.502) 6.449 9.956 ( -3.328 6.848 -1.655) 7.792 9.956 ( 3.328 6.848 -1.655) 7.792 10.162 ( -3.082 1.290 -3.224) 4.643 10.162 ( 3.082 1.290 -3.224) 4.643 10.622 ( -1.362 -7.336 0.101) 7.462 10.622 ( 1.362 -7.336 0.101) 7.462 10.830 ( -2.940 -1.667 -4.752) 5.831 10.830 ( 2.940 -1.667 -4.752) 5.831 12.108 ( -3.672 3.546 4.663) 6.914 12.108 ( 3.672 3.546 4.663) 6.914 12.441 ( -4.520 14.002 -3.710) 15.174 12.441 ( 4.520 14.002 -3.710) 15.174 14.158 ( -7.746 -3.609 7.731) 11.523 14.158 ( 7.746 -3.609 7.731) 11.523 14.733 ( -2.630 -4.891 -6.692) 8.696 14.733 ( 2.630 -4.891 -6.692) 8.696 ======================= Grid point 270 (91/140) ======================= q-point: ( 0.00 0.29 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 0.000 3.013 15.647) 15.934 2.409 ( 0.000 10.784 10.649) 15.156 2.732 ( 0.000 -5.461 10.581) 11.907 3.348 ( 0.000 0.088 -3.928) 3.929 3.414 ( 0.000 -7.152 10.829) 12.978 3.687 ( 0.000 15.991 22.246) 27.397 3.962 ( 0.000 -4.645 4.641) 6.566 4.035 ( 0.000 6.591 7.104) 9.691 4.206 ( 0.000 -3.103 10.782) 11.220 4.506 ( 0.000 -3.301 0.014) 3.301 4.726 ( 0.000 11.383 -8.836) 14.410 5.115 ( 0.000 -6.985 7.464) 10.223 5.179 ( 0.000 -0.872 7.483) 7.533 5.306 ( 0.000 -12.358 -0.445) 12.366 5.484 ( 0.000 2.820 -10.062) 10.450 5.713 ( 0.000 -1.484 -2.411) 2.831 5.914 ( 0.000 1.760 -9.337) 9.501 6.152 ( 0.000 -6.872 0.168) 6.874 6.412 ( 0.000 0.098 -5.383) 5.384 6.632 ( 0.000 -3.061 -16.243) 16.529 6.886 ( 0.000 5.692 2.728) 6.312 7.141 ( 0.000 -3.582 -1.372) 3.836 7.288 ( 0.000 -5.429 2.900) 6.155 7.362 ( 0.000 -6.280 3.021) 6.969 7.708 ( 0.000 8.751 4.842) 10.001 8.010 ( 0.000 0.002 2.224) 2.224 8.089 ( 0.000 -0.699 -1.456) 1.615 8.270 ( 0.000 -5.244 -0.291) 5.252 8.795 ( 0.000 8.287 -6.100) 10.290 9.002 ( 0.000 9.179 -5.650) 10.779 9.196 ( 0.000 -7.652 -9.731) 12.379 9.501 ( 0.000 -5.381 -7.709) 9.401 9.832 ( 0.000 -0.145 -2.462) 2.466 9.978 ( 0.000 1.872 -4.021) 4.435 10.271 ( 0.000 -6.150 -8.418) 10.426 10.321 ( 0.000 3.329 3.525) 4.849 10.663 ( 0.000 2.281 -6.111) 6.523 10.821 ( 0.000 2.279 -5.925) 6.348 11.039 ( 0.000 5.386 6.625) 8.538 11.197 ( 0.000 -3.009 4.573) 5.475 11.653 ( 0.000 6.628 5.691) 8.736 12.322 ( 0.000 8.477 -8.952) 12.329 12.430 ( 0.000 11.047 6.901) 13.025 12.548 ( 0.000 -5.918 2.870) 6.577 13.837 ( 0.000 6.225 3.230) 7.013 14.404 ( 0.000 -11.226 -10.582) 15.427 14.618 ( 0.000 -0.929 3.630) 3.747 14.824 ( 0.000 -3.746 -0.427) 3.771 ======================= Grid point 271 (92/140) ======================= q-point: ( 0.12 0.29 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( -3.871 5.983 15.658) 17.204 2.486 ( 6.368 8.155 8.647) 13.484 2.713 ( -1.485 -2.157 10.097) 10.431 3.305 ( -4.582 -4.299 0.192) 6.286 3.405 ( -0.059 -2.203 8.623) 8.900 3.743 ( -4.001 8.200 11.680) 14.822 3.887 ( 5.699 5.084 10.505) 12.988 4.190 ( 7.001 6.568 8.620) 12.902 4.229 ( 5.263 -9.107 10.191) 14.646 4.412 ( -8.120 -0.947 -2.282) 8.487 4.746 ( 0.762 8.670 -4.600) 9.844 5.112 ( 0.095 -8.040 5.084) 9.513 5.198 ( 2.108 -1.534 6.722) 7.210 5.338 ( 2.906 -10.628 0.652) 11.037 5.475 ( -0.538 2.840 -8.885) 9.344 5.737 ( 1.908 -1.763 -1.967) 3.258 5.893 ( -2.127 2.156 -7.695) 8.270 6.146 ( -0.856 -6.971 0.890) 7.080 6.376 ( -3.745 0.544 -5.478) 6.658 6.646 ( 0.336 -1.713 -15.210) 15.310 6.770 ( -10.032 4.259 2.861) 11.268 7.005 ( -10.750 -3.749 1.789) 11.525 7.286 ( -4.563 -1.089 0.936) 4.784 7.319 ( 2.834 -4.072 2.958) 5.776 7.793 ( 4.520 4.624 -0.340) 6.475 8.092 ( 8.810 1.246 3.450) 9.543 8.138 ( -0.474 -2.486 -4.645) 5.289 8.318 ( 8.108 -4.933 1.312) 9.580 8.827 ( 3.498 7.756 -4.733) 9.736 9.015 ( 0.716 7.545 -4.371) 8.749 9.216 ( 1.843 -6.978 -9.092) 11.608 9.479 ( -2.022 -5.090 -7.766) 9.503 9.854 ( 2.279 -0.214 -3.101) 3.855 9.979 ( 0.221 2.322 -3.881) 4.528 10.247 ( -1.867 -1.296 -2.665) 3.502 10.346 ( 2.007 -1.390 -2.654) 3.606 10.588 ( -6.433 3.027 -5.750) 9.144 10.808 ( -2.312 0.488 -5.692) 6.163 10.994 ( -4.271 4.183 6.137) 8.567 11.109 ( -7.279 -2.210 3.550) 8.394 11.750 ( 8.320 6.085 6.003) 11.929 12.369 ( 4.512 9.718 -8.356) 13.588 12.434 ( 0.235 11.373 7.066) 13.391 12.586 ( 3.504 -4.584 2.750) 6.392 13.851 ( 1.464 5.245 3.095) 6.264 14.413 ( 0.862 -11.088 -10.481) 15.282 14.570 ( -4.728 -1.083 3.965) 6.264 14.802 ( -2.168 -4.265 -0.898) 4.868 ======================= Grid point 272 (93/140) ======================= q-point: ( 0.25 0.29 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 2.374 8.467 13.595) 16.191 2.625 ( 7.097 0.491 1.658) 7.305 2.703 ( 1.367 6.803 11.800) 13.689 3.184 ( -7.210 -3.735 4.290) 9.184 3.350 ( -8.741 3.246 5.150) 10.652 3.592 ( -6.136 4.336 4.805) 8.918 4.068 ( 6.146 0.891 10.023) 11.791 4.243 ( -6.680 0.471 -3.341) 7.483 4.289 ( 7.289 -6.274 10.927) 14.556 4.425 ( 9.829 0.735 8.120) 12.770 4.751 ( 1.307 6.924 1.964) 7.315 5.115 ( -0.006 -10.391 5.823) 11.911 5.285 ( 7.162 -1.270 0.323) 7.280 5.389 ( 1.428 -5.799 1.290) 6.110 5.487 ( 2.029 0.736 -6.025) 6.400 5.742 ( -2.460 2.417 2.963) 4.547 5.853 ( -1.121 -1.600 -5.584) 5.916 6.113 ( -2.366 -7.581 2.053) 8.202 6.249 ( -9.501 2.147 -0.340) 9.747 6.530 ( -10.151 0.852 -6.681) 12.182 6.655 ( -3.652 1.498 -4.972) 6.348 6.836 ( -4.304 2.608 0.893) 5.111 7.220 ( -1.652 -4.316 -1.258) 4.790 7.389 ( 3.227 -3.294 0.839) 4.687 7.879 ( 4.939 4.661 -4.017) 7.890 8.059 ( -3.661 -0.064 -6.174) 7.178 8.294 ( 8.244 0.402 2.787) 8.712 8.509 ( 8.431 -6.227 -0.002) 10.482 8.920 ( 5.118 6.559 -2.547) 8.701 9.023 ( 0.750 5.309 -2.987) 6.138 9.252 ( 1.678 -6.315 -6.554) 9.255 9.438 ( -1.879 -4.539 -7.327) 8.821 9.918 ( 4.054 0.104 -4.463) 6.030 9.993 ( 1.401 3.160 -3.766) 5.112 10.218 ( -0.574 2.452 0.676) 2.607 10.375 ( -0.718 -1.611 -6.379) 6.618 10.464 ( -4.305 0.186 -6.174) 7.529 10.713 ( -7.050 -1.870 -2.463) 7.699 10.889 ( -6.310 1.044 4.825) 8.012 10.964 ( -6.974 -2.327 -0.343) 7.359 11.931 ( 9.625 6.897 6.719) 13.614 12.427 ( -1.211 12.516 7.808) 14.801 12.484 ( 6.733 11.071 -7.075) 14.763 12.664 ( 3.950 -0.870 2.020) 4.521 13.894 ( 2.957 2.858 3.025) 5.105 14.406 ( -4.851 -5.131 -2.541) 7.504 14.478 ( -1.028 -7.007 -2.847) 7.633 14.744 ( -3.647 -5.621 -2.297) 7.083 ======================= Grid point 273 (94/140) ======================= q-point: ( 0.38 0.29 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 11.262 8.343 9.388) 16.870 2.725 ( 3.574 -3.561 -2.271) 5.532 2.757 ( 0.024 8.016 10.699) 13.369 3.031 ( -9.597 0.132 4.465) 10.586 3.146 ( -4.596 10.115 4.815) 12.108 3.465 ( -9.251 5.255 2.831) 11.009 4.095 ( 0.760 -3.850 4.659) 6.091 4.192 ( -0.954 -4.143 3.815) 5.712 4.447 ( 6.769 -6.722 5.561) 11.043 4.533 ( 1.325 -0.071 2.396) 2.739 4.877 ( 11.079 4.483 9.761) 15.431 5.114 ( -0.091 -9.814 8.250) 12.821 5.370 ( -0.855 -1.030 2.106) 2.495 5.478 ( -0.123 0.963 -6.376) 6.449 5.487 ( 5.755 -1.914 -0.932) 6.136 5.715 ( 2.493 3.150 5.034) 6.441 5.829 ( -2.131 -4.452 -2.672) 5.613 6.032 ( -8.828 -1.128 3.814) 9.682 6.089 ( -2.150 -2.759 5.245) 6.304 6.298 ( -12.313 -2.560 -5.446) 13.705 6.637 ( 2.012 6.748 -2.765) 7.565 6.782 ( -3.147 8.775 -2.722) 9.712 7.233 ( 3.019 -9.322 -3.663) 10.461 7.404 ( -2.221 -7.058 -3.090) 8.018 7.982 ( 5.184 6.699 -4.868) 9.770 8.044 ( 2.042 4.365 -7.047) 8.537 8.398 ( 3.070 -0.937 1.902) 3.731 8.570 ( -2.573 -5.390 -0.984) 6.053 9.006 ( 4.197 5.768 -1.741) 7.342 9.065 ( 2.338 2.323 -2.194) 3.959 9.293 ( 2.947 -5.739 -5.108) 8.229 9.406 ( -1.728 -4.350 -5.592) 7.292 9.999 ( 3.948 1.310 -4.896) 6.424 10.036 ( 2.694 3.859 -4.612) 6.589 10.238 ( 2.234 6.255 1.962) 6.925 10.293 ( -4.757 2.839 -2.923) 6.263 10.440 ( -1.083 -6.807 -7.967) 10.535 10.571 ( -6.536 -4.069 -2.269) 8.027 10.771 ( -4.347 -2.666 3.397) 6.127 10.846 ( -5.267 -3.788 -3.557) 7.399 12.113 ( 8.885 8.972 7.535) 14.704 12.377 ( -4.045 12.366 8.152) 15.354 12.613 ( 6.011 11.207 -4.843) 13.609 12.718 ( 1.198 4.194 0.282) 4.371 13.970 ( 5.019 0.345 3.461) 6.107 14.253 ( -8.733 -1.673 3.866) 9.696 14.516 ( 3.162 -10.014 -7.793) 13.077 14.666 ( -4.164 -7.369 -4.372) 9.527 ======================= Grid point 274 (95/140) ======================= q-point: (-0.50 0.29 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( -15.579 5.711 5.670) 17.535 2.541 ( 15.579 5.711 5.670) 17.535 2.856 ( -7.567 1.749 3.602) 8.561 2.856 ( 7.567 1.749 3.602) 8.561 3.250 ( -10.987 8.066 3.001) 13.956 3.250 ( 10.987 8.066 3.001) 13.956 4.146 ( -3.409 -4.315 5.419) 7.721 4.146 ( 3.409 -4.315 5.419) 7.721 4.527 ( -1.789 -4.971 1.455) 5.479 4.527 ( 1.789 -4.971 1.455) 5.479 5.072 ( -6.269 -3.114 11.310) 13.301 5.072 ( 6.269 -3.114 11.310) 13.301 5.371 ( -3.040 1.662 -0.135) 3.467 5.371 ( 3.040 1.662 -0.135) 3.467 5.687 ( -8.503 -3.665 -4.518) 10.303 5.687 ( 8.503 -3.665 -4.518) 10.303 5.866 ( -7.421 1.810 6.346) 9.931 5.866 ( 7.421 1.810 6.346) 9.931 6.116 ( -5.230 -3.827 0.840) 6.535 6.116 ( 5.230 -3.827 0.840) 6.535 6.705 ( -4.286 9.114 -3.089) 10.534 6.705 ( 4.286 9.114 -3.089) 10.534 7.321 ( -5.253 -9.831 -4.815) 12.142 7.321 ( 5.253 -9.831 -4.815) 12.142 8.061 ( -1.954 7.613 -6.208) 10.016 8.061 ( 1.954 7.613 -6.208) 10.016 8.471 ( -5.408 -3.493 0.318) 6.446 8.471 ( 5.408 -3.493 0.318) 6.446 9.072 ( -1.808 3.011 -2.058) 4.070 9.072 ( 1.808 3.011 -2.058) 4.070 9.359 ( -3.158 -4.911 -4.728) 7.513 9.359 ( 3.158 -4.911 -4.728) 7.513 10.059 ( -1.444 3.066 -6.152) 7.024 10.059 ( 1.444 3.066 -6.152) 7.024 10.252 ( -1.012 6.328 2.570) 6.905 10.252 ( 1.012 6.328 2.570) 6.905 10.458 ( -4.601 -7.062 -5.334) 9.975 10.458 ( 4.601 -7.062 -5.334) 9.975 10.762 ( -2.853 -4.766 -1.808) 5.842 10.762 ( 2.853 -4.766 -1.808) 5.842 12.269 ( -6.906 11.104 8.089) 15.376 12.269 ( 6.906 11.104 8.089) 15.376 12.702 ( -2.867 8.726 -2.242) 9.454 12.702 ( 2.867 8.726 -2.242) 9.454 14.092 ( -7.435 -1.159 4.075) 8.557 14.092 ( 7.435 -1.159 4.075) 8.557 14.586 ( -3.954 -9.006 -6.495) 11.787 14.586 ( 3.954 -9.006 -6.495) 11.787 ======================= Grid point 279 (96/140) ======================= q-point: ( 0.00 0.43 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 0.000 5.458 9.578) 11.024 2.437 ( 0.000 -6.412 4.987) 8.123 2.817 ( 0.000 12.605 15.468) 19.954 3.109 ( 0.000 -14.381 10.745) 17.952 3.511 ( 0.000 9.010 4.979) 10.294 3.742 ( 0.000 -12.555 7.325) 14.536 4.040 ( 0.000 14.482 13.281) 19.650 4.178 ( 0.000 2.717 11.488) 11.805 4.291 ( 0.000 8.187 4.331) 9.262 4.418 ( 0.000 -4.077 -0.278) 4.086 4.918 ( 0.000 -4.104 3.335) 5.289 4.972 ( 0.000 -12.156 2.529) 12.416 4.986 ( 0.000 7.533 2.203) 7.849 5.154 ( 0.000 -5.936 3.434) 6.858 5.577 ( 0.000 5.294 -4.492) 6.943 5.671 ( 0.000 -3.161 -3.276) 4.553 5.949 ( 0.000 1.920 -8.646) 8.857 6.020 ( 0.000 -5.186 -4.939) 7.162 6.455 ( 0.000 3.703 -9.439) 10.140 6.547 ( 0.000 -4.689 -13.627) 14.411 6.987 ( 0.000 4.071 4.705) 6.221 7.064 ( 0.000 -3.607 4.514) 5.778 7.221 ( 0.000 -0.683 0.415) 0.800 7.254 ( 0.000 -3.654 0.788) 3.738 7.901 ( 0.000 8.826 2.932) 9.300 8.041 ( 0.000 -4.206 0.838) 4.288 8.051 ( 0.000 3.484 0.738) 3.561 8.151 ( 0.000 -5.881 -0.257) 5.887 8.933 ( 0.000 5.318 -7.500) 9.194 9.038 ( 0.000 -5.166 -5.991) 7.910 9.219 ( 0.000 8.820 -9.629) 13.058 9.383 ( 0.000 -6.485 -7.419) 9.854 9.844 ( 0.000 1.648 -3.135) 3.542 9.916 ( 0.000 -5.164 -4.986) 7.178 10.278 ( 0.000 4.107 -3.842) 5.624 10.345 ( 0.000 -1.352 -0.029) 1.352 10.739 ( 0.000 4.825 -4.614) 6.676 10.826 ( 0.000 -2.272 -4.341) 4.900 11.095 ( 0.000 0.820 5.138) 5.203 11.124 ( 0.000 -2.771 5.355) 6.030 11.900 ( 0.000 15.859 6.604) 17.180 12.246 ( 0.000 -15.428 5.181) 16.274 12.562 ( 0.000 6.380 -4.822) 7.997 12.598 ( 0.000 3.756 2.057) 4.282 13.982 ( 0.000 7.500 0.199) 7.503 14.167 ( 0.000 -10.549 -5.734) 12.007 14.640 ( 0.000 3.132 -0.797) 3.231 14.731 ( 0.000 -4.916 -1.907) 5.273 ======================= Grid point 280 (97/140) ======================= q-point: ( 0.12 0.43 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -0.179 7.274 9.480) 11.951 2.450 ( 1.475 -7.012 4.352) 8.384 2.852 ( 3.160 11.255 14.214) 18.404 3.098 ( -1.188 -11.977 10.006) 15.652 3.502 ( -0.516 8.935 5.215) 10.358 3.719 ( -2.233 -9.874 7.022) 12.320 4.097 ( 4.821 11.429 11.565) 16.959 4.160 ( -4.750 3.021 5.672) 7.991 4.314 ( 2.098 0.624 7.453) 7.767 4.367 ( -1.677 -1.431 0.726) 2.321 4.893 ( -0.510 -0.405 2.368) 2.456 4.974 ( -1.031 1.119 8.428) 8.564 5.063 ( 6.767 -6.009 -0.536) 9.066 5.174 ( 2.248 -6.365 1.989) 7.038 5.567 ( -0.739 5.649 -4.424) 7.213 5.679 ( 0.664 -4.302 -2.740) 5.144 5.937 ( -1.359 2.244 -6.718) 7.212 6.009 ( -1.150 -5.169 -3.491) 6.343 6.443 ( -1.818 5.126 -8.862) 10.398 6.562 ( 0.047 -5.632 -13.178) 14.331 6.852 ( -10.079 3.630 4.752) 11.719 6.927 ( -9.616 -3.632 5.449) 11.634 7.259 ( -0.012 -0.339 -0.065) 0.346 7.273 ( 2.341 -1.268 0.154) 2.667 7.927 ( 1.746 7.041 0.443) 7.268 8.056 ( -0.658 -4.938 -0.647) 5.023 8.140 ( 8.526 2.850 1.260) 9.077 8.219 ( 7.973 -4.514 0.543) 9.178 8.961 ( 2.753 5.096 -6.391) 8.625 9.056 ( 1.609 -4.193 -4.590) 6.422 9.218 ( -0.198 7.315 -9.575) 12.051 9.365 ( -1.614 -6.140 -7.560) 9.872 9.864 ( 2.149 1.549 -3.735) 4.579 9.931 ( 1.552 -4.625 -5.077) 7.041 10.278 ( 0.106 4.091 -3.236) 5.217 10.344 ( 0.063 -1.386 -0.555) 1.494 10.674 ( -6.127 5.139 -4.681) 9.266 10.775 ( -5.134 -3.658 -4.706) 7.867 11.039 ( -5.392 0.772 4.874) 7.309 11.061 ( -5.862 -1.810 4.179) 7.423 11.980 ( 7.526 15.019 7.007) 18.202 12.310 ( 6.190 -14.679 5.262) 16.777 12.604 ( 3.867 5.708 -3.642) 7.797 12.620 ( 2.001 4.849 2.757) 5.926 13.987 ( 0.541 7.492 -0.177) 7.514 14.176 ( 0.911 -10.739 -6.066) 12.368 14.594 ( -4.575 3.539 -0.726) 5.829 14.697 ( -3.400 -5.561 -2.158) 6.866 ======================= Grid point 281 (98/140) ======================= q-point: ( 0.25 0.43 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 3.761 9.483 8.122) 13.040 2.504 ( 4.372 -7.480 2.817) 9.111 2.912 ( 2.021 7.973 11.115) 13.827 3.059 ( -3.008 -6.892 8.122) 11.068 3.491 ( -1.110 10.337 4.625) 11.379 3.670 ( -2.406 -1.783 6.641) 7.285 4.026 ( -7.019 -3.907 4.042) 8.993 4.077 ( -8.831 -4.909 4.177) 10.933 4.339 ( 7.075 7.416 3.986) 10.997 4.492 ( 8.374 -2.464 5.975) 10.578 4.907 ( 1.225 4.779 3.560) 6.084 4.934 ( -2.631 -1.530 10.532) 10.963 5.220 ( 8.655 -5.285 0.542) 10.155 5.243 ( 5.124 -5.203 -1.451) 7.446 5.562 ( 0.410 5.884 -3.285) 6.751 5.696 ( 1.294 -5.990 -1.057) 6.219 5.886 ( -4.044 3.885 -1.446) 5.791 5.978 ( -1.995 -5.050 0.345) 5.441 6.334 ( -9.616 5.315 -3.023) 11.395 6.455 ( -11.107 -5.819 -7.113) 14.416 6.740 ( -0.381 5.182 0.576) 5.228 6.836 ( 1.447 -3.197 0.863) 3.614 7.208 ( -4.498 3.251 -1.560) 5.765 7.303 ( -0.537 -4.803 -1.050) 4.946 7.983 ( 4.623 4.417 -1.862) 6.660 8.044 ( 1.077 -1.534 -2.544) 3.160 8.314 ( 7.312 1.992 1.044) 7.650 8.389 ( 7.379 -5.031 -0.046) 8.931 9.031 ( 4.031 3.956 -4.367) 7.139 9.092 ( 1.998 -1.210 -2.811) 3.655 9.209 ( -0.506 4.235 -8.376) 9.399 9.331 ( -1.642 -5.780 -7.389) 9.523 9.927 ( 4.180 1.232 -5.072) 6.687 9.978 ( 3.295 -3.217 -5.006) 6.802 10.288 ( 1.227 4.388 -2.113) 5.023 10.356 ( 1.160 -1.456 -2.116) 2.818 10.528 ( -8.153 4.827 -5.102) 10.761 10.637 ( -8.428 -4.999 -4.162) 10.646 10.900 ( -8.603 0.324 3.855) 9.433 10.919 ( -8.118 -1.640 1.821) 8.480 12.161 ( 10.351 14.245 7.694) 19.216 12.462 ( 8.684 -12.607 5.304) 16.202 12.649 ( 0.779 7.390 4.619) 8.750 12.696 ( 4.534 3.459 -1.025) 5.794 14.007 ( 1.663 7.622 -1.086) 7.876 14.206 ( 2.209 -10.976 -6.735) 13.065 14.473 ( -7.472 4.441 -0.721) 8.722 14.606 ( -5.653 -7.248 -2.984) 9.664 ======================= Grid point 282 (99/140) ======================= q-point: ( 0.38 0.43 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 9.679 9.339 5.743) 14.624 2.627 ( 8.116 -6.476 1.517) 10.494 2.880 ( -6.267 4.579 6.852) 10.354 2.971 ( -6.321 -4.188 5.464) 9.346 3.462 ( -0.327 17.676 4.449) 18.230 3.620 ( -3.900 7.767 5.116) 10.085 3.909 ( -5.560 -12.475 3.988) 14.228 3.923 ( -3.492 -14.560 4.118) 15.529 4.500 ( 7.997 8.748 3.569) 12.378 4.628 ( 4.569 2.568 2.240) 5.699 4.868 ( -2.142 -5.229 8.386) 10.112 4.934 ( -0.392 -4.853 5.950) 7.688 5.334 ( 5.769 1.182 0.740) 5.936 5.420 ( 9.986 -4.695 -2.356) 11.283 5.567 ( -1.228 6.578 -1.693) 6.902 5.708 ( -2.651 -6.134 -2.555) 7.154 5.825 ( 1.265 5.497 6.546) 8.641 5.942 ( -0.666 -5.327 4.511) 7.012 6.128 ( -10.273 3.723 2.377) 11.183 6.217 ( -11.812 -4.540 -1.680) 12.766 6.795 ( 4.967 7.836 -2.568) 9.626 6.914 ( 4.609 -0.013 -3.093) 5.551 7.104 ( -5.083 0.685 -2.668) 5.782 7.239 ( -5.683 -8.418 -2.998) 10.590 8.105 ( 7.150 4.232 -2.610) 8.709 8.126 ( 7.022 2.470 -3.566) 8.254 8.382 ( -0.448 0.474 -0.216) 0.687 8.450 ( -1.601 -5.463 -1.288) 5.837 9.105 ( 3.418 3.199 -3.539) 5.868 9.137 ( 2.415 2.860 -2.690) 4.609 9.213 ( 1.130 -0.425 -6.425) 6.537 9.302 ( -1.643 -5.533 -5.738) 8.139 10.022 ( 5.494 1.671 -5.864) 8.208 10.065 ( 5.603 -1.484 -4.628) 7.417 10.309 ( -3.558 1.706 -5.373) 6.666 10.343 ( -1.762 0.339 -3.505) 3.937 10.420 ( -1.699 3.781 -1.250) 4.330 10.495 ( -2.792 -2.976 -3.039) 5.088 10.722 ( -8.834 -0.888 2.701) 9.280 10.760 ( -7.888 -3.846 -0.496) 8.790 12.362 ( 9.828 13.767 8.110) 18.759 12.616 ( 2.990 -0.151 5.370) 6.148 12.639 ( 1.501 1.025 6.336) 6.592 12.758 ( 1.334 -0.612 1.726) 2.266 14.059 ( 3.854 7.925 -1.921) 9.020 14.256 ( 1.468 -6.224 -6.364) 9.022 14.327 ( -5.573 0.975 -1.663) 5.897 14.487 ( -6.275 -9.372 -4.333) 12.082 ======================= Grid point 283 (100/140) ======================= q-point: (-0.50 0.43 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 211 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( -11.752 7.034 4.214) 14.329 2.678 ( 11.752 7.034 4.214) 14.329 2.812 ( -9.051 -5.139 2.884) 10.801 2.812 ( 9.051 -5.139 2.884) 10.801 3.515 ( -5.279 16.237 4.400) 17.631 3.515 ( 5.279 16.237 4.400) 17.631 3.879 ( -1.112 -17.463 4.790) 18.142 3.879 ( 1.112 -17.463 4.790) 18.142 4.626 ( -4.399 10.936 2.486) 12.047 4.626 ( 4.399 10.936 2.486) 12.047 4.888 ( -3.389 -12.645 6.132) 14.456 4.888 ( 3.389 -12.645 6.132) 14.456 5.467 ( -7.215 6.688 0.210) 9.841 5.467 ( 7.215 6.688 0.210) 9.841 5.600 ( -7.462 -5.329 -1.656) 9.318 5.600 ( 7.462 -5.329 -1.656) 9.318 5.930 ( -6.939 4.137 5.362) 9.696 5.930 ( 6.939 4.137 5.362) 9.696 6.026 ( -6.411 -4.741 3.327) 8.640 6.026 ( 6.411 -4.741 3.327) 8.640 6.905 ( -5.414 9.932 -3.418) 11.817 6.905 ( 5.414 9.932 -3.418) 11.817 7.114 ( -5.933 -10.023 -3.686) 12.217 7.114 ( 5.933 -10.023 -3.686) 12.217 8.222 ( -1.947 7.584 -3.528) 8.588 8.222 ( 1.947 7.584 -3.528) 8.588 8.368 ( -3.438 -6.215 -1.216) 7.206 8.368 ( 3.438 -6.215 -1.216) 7.206 9.154 ( -1.133 4.682 -3.602) 6.015 9.154 ( 1.133 4.682 -3.602) 6.015 9.257 ( -2.883 -4.974 -4.753) 7.459 9.257 ( 2.883 -4.974 -4.753) 7.459 10.131 ( -3.780 4.405 -6.192) 8.487 10.131 ( 3.780 4.405 -6.192) 8.487 10.245 ( -4.611 -6.014 -3.926) 8.534 10.245 ( 4.611 -6.014 -3.926) 8.534 10.477 ( -4.352 7.574 -0.735) 8.766 10.477 ( 4.352 7.574 -0.735) 8.766 10.637 ( -2.973 -7.071 -0.388) 7.680 10.637 ( 2.973 -7.071 -0.388) 7.680 12.530 ( -7.038 12.707 7.837) 16.505 12.530 ( 7.038 12.707 7.837) 16.505 12.737 ( -3.525 -5.444 3.951) 7.594 12.737 ( 3.525 -5.444 3.951) 7.594 14.160 ( -6.369 7.750 -2.157) 10.260 14.160 ( 6.369 7.750 -2.157) 10.260 14.371 ( -5.393 -11.134 -5.604) 13.581 14.371 ( 5.393 -11.134 -5.604) 13.581 ======================= Grid point 315 (101/140) ======================= q-point: ( 0.00 0.00 0.42) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 0.000 0.000 20.415) 20.415 2.577 ( 0.000 0.000 19.028) 19.028 2.921 ( 0.000 0.000 0.843) 0.843 3.102 ( 0.000 0.000 -11.461) 11.461 3.651 ( 0.000 0.000 3.856) 3.856 3.914 ( 0.000 0.000 -6.087) 6.087 4.003 ( 0.000 0.000 21.896) 21.896 4.015 ( 0.000 0.000 -2.895) 2.895 4.098 ( 0.000 0.000 -4.012) 4.012 4.502 ( 0.000 0.000 -1.954) 1.954 4.895 ( 0.000 0.000 10.023) 10.023 5.119 ( 0.000 0.000 5.308) 5.308 5.301 ( 0.000 0.000 -3.493) 3.493 5.366 ( 0.000 0.000 0.034) 0.034 5.460 ( 0.000 0.000 5.889) 5.889 5.721 ( 0.000 0.000 -5.997) 5.997 5.729 ( 0.000 0.000 -4.616) 4.616 6.232 ( 0.000 0.000 -13.012) 13.012 6.524 ( 0.000 0.000 1.803) 1.803 6.628 ( 0.000 0.000 -1.447) 1.447 6.643 ( 0.000 0.000 -1.999) 1.999 6.740 ( 0.000 0.000 -16.525) 16.525 7.609 ( 0.000 0.000 9.201) 9.201 7.728 ( 0.000 0.000 8.965) 8.965 7.880 ( 0.000 0.000 15.984) 15.984 7.945 ( 0.000 0.000 -7.173) 7.173 8.087 ( 0.000 0.000 -6.811) 6.811 8.454 ( 0.000 0.000 2.882) 2.882 8.465 ( 0.000 0.000 1.988) 1.988 8.494 ( 0.000 0.000 -13.588) 13.588 9.399 ( 0.000 0.000 -1.246) 1.246 9.511 ( 0.000 0.000 -6.198) 6.198 9.786 ( 0.000 0.000 -2.306) 2.306 9.801 ( 0.000 0.000 -3.054) 3.054 10.237 ( 0.000 0.000 5.141) 5.141 10.418 ( 0.000 0.000 -5.897) 5.897 10.572 ( 0.000 0.000 -5.762) 5.762 10.612 ( 0.000 0.000 -6.357) 6.357 10.887 ( 0.000 0.000 6.677) 6.677 11.092 ( 0.000 0.000 -3.575) 3.575 11.816 ( 0.000 0.000 9.739) 9.739 12.165 ( 0.000 0.000 -7.633) 7.633 12.191 ( 0.000 0.000 5.656) 5.656 12.347 ( 0.000 0.000 -2.195) 2.195 13.941 ( 0.000 0.000 10.757) 10.757 14.417 ( 0.000 0.000 -13.435) 13.435 14.807 ( 0.000 0.000 5.470) 5.470 14.917 ( 0.000 0.000 -0.315) 0.315 ======================= Grid point 316 (102/140) ======================= q-point: ( 0.12 0.00 0.42) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( -9.495 0.000 19.188) 21.409 2.501 ( 3.512 0.000 19.317) 19.634 2.883 ( -4.212 0.000 -2.647) 4.975 3.091 ( -1.242 0.000 -10.101) 10.177 3.643 ( -3.785 0.000 4.493) 5.875 3.855 ( -8.243 0.000 -2.978) 8.764 3.994 ( -0.798 0.000 0.422) 0.903 4.116 ( 13.742 0.000 18.387) 22.955 4.152 ( 3.942 0.000 -5.777) 6.994 4.517 ( 3.169 0.000 -0.454) 3.201 4.913 ( 1.777 0.000 9.080) 9.252 5.180 ( 5.472 0.000 4.424) 7.037 5.319 ( 1.867 0.000 -2.824) 3.385 5.352 ( -1.536 0.000 -4.005) 4.289 5.465 ( 0.836 0.000 9.102) 9.141 5.712 ( -0.511 0.000 -3.050) 3.092 5.772 ( 3.638 0.000 -5.662) 6.730 6.227 ( -0.708 0.000 -13.072) 13.091 6.497 ( -2.392 0.000 1.412) 2.778 6.561 ( -5.927 0.000 1.439) 6.099 6.637 ( -2.323 0.000 -2.904) 3.719 6.680 ( -5.842 0.000 -14.971) 16.070 7.512 ( -9.784 0.000 12.239) 15.669 7.564 ( -3.978 0.000 8.249) 9.158 7.865 ( -6.384 0.000 -6.791) 9.321 7.938 ( -6.757 0.000 -7.928) 10.417 8.180 ( 13.300 0.000 9.049) 16.086 8.537 ( 7.026 0.000 2.892) 7.597 8.589 ( 6.695 0.000 -10.400) 12.369 8.595 ( 11.796 0.000 0.360) 11.801 9.414 ( 1.477 0.000 -1.129) 1.859 9.510 ( -0.038 0.000 -5.514) 5.515 9.760 ( -1.173 0.000 -0.624) 1.328 9.836 ( 2.142 0.000 -3.890) 4.441 10.193 ( -3.765 0.000 3.603) 5.211 10.381 ( -6.694 0.000 -7.499) 10.052 10.500 ( 0.472 0.000 -1.746) 1.808 10.691 ( 3.071 0.000 -8.111) 8.673 10.871 ( -1.556 0.000 6.686) 6.865 11.066 ( -2.638 0.000 -2.957) 3.963 11.846 ( 2.925 0.000 8.823) 9.296 12.168 ( 0.234 0.000 -7.163) 7.166 12.192 ( 0.172 0.000 5.135) 5.138 12.339 ( -0.859 0.000 -2.130) 2.296 13.979 ( 3.717 0.000 10.092) 10.754 14.432 ( 1.480 0.000 -12.925) 13.009 14.769 ( -3.730 0.000 5.816) 6.909 14.895 ( -2.180 0.000 -0.828) 2.332 ======================= Grid point 317 (103/140) ======================= q-point: ( 0.25 0.00 0.42) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( -4.110 0.000 17.461) 17.938 2.595 ( 5.928 0.000 16.203) 17.253 2.793 ( -3.854 0.000 -7.122) 8.098 3.049 ( -3.123 0.000 -6.168) 6.914 3.423 ( -16.930 0.000 6.428) 18.109 3.648 ( -13.311 0.000 -3.743) 13.827 4.006 ( 2.138 0.000 4.021) 4.554 4.218 ( 2.262 0.000 -4.726) 5.240 4.458 ( 19.581 0.000 14.286) 24.238 4.673 ( 12.258 0.000 2.502) 12.511 4.962 ( 3.281 0.000 6.272) 7.078 5.288 ( 4.261 0.000 4.634) 6.295 5.304 ( -3.325 0.000 -8.111) 8.766 5.366 ( 2.431 0.000 -0.920) 2.599 5.506 ( 3.691 0.000 9.906) 10.571 5.694 ( -1.045 0.000 2.234) 2.467 5.867 ( 6.045 0.000 -6.599) 8.949 6.184 ( -4.516 0.000 -13.760) 14.482 6.391 ( -11.187 0.000 5.775) 12.590 6.451 ( -1.827 0.000 0.468) 1.886 6.541 ( -7.156 0.000 -8.853) 11.383 6.542 ( -7.118 0.000 -2.472) 7.535 7.441 ( 2.193 0.000 7.246) 7.571 7.487 ( -3.239 0.000 4.460) 5.512 7.734 ( -6.825 0.000 -7.424) 10.085 7.812 ( -4.765 0.000 -10.515) 11.544 8.397 ( 7.880 0.000 7.872) 11.139 8.676 ( 1.345 0.000 -6.360) 6.501 8.709 ( 9.878 0.000 3.389) 10.443 8.834 ( 11.287 0.000 -2.167) 11.493 9.451 ( 2.151 0.000 -0.596) 2.233 9.514 ( 0.411 0.000 -3.813) 3.835 9.753 ( 0.692 0.000 1.505) 1.657 9.874 ( 1.564 0.000 -3.912) 4.213 10.116 ( -3.518 0.000 1.433) 3.798 10.229 ( -7.129 0.000 -5.277) 8.870 10.548 ( 3.193 0.000 -3.811) 4.972 10.719 ( 0.068 0.000 -8.787) 8.788 10.832 ( -2.197 0.000 6.524) 6.884 10.992 ( -4.730 0.000 -1.220) 4.884 11.921 ( 4.533 0.000 6.512) 7.934 12.169 ( -0.342 0.000 -5.737) 5.747 12.200 ( 0.623 0.000 3.726) 3.778 12.315 ( -1.517 0.000 -1.840) 2.384 14.076 ( 5.925 0.000 8.728) 10.549 14.469 ( 1.916 0.000 -10.989) 11.155 14.674 ( -5.426 0.000 6.016) 8.101 14.835 ( -3.838 0.000 -2.184) 4.416 ======================= Grid point 318 (104/140) ======================= q-point: ( 0.38 0.00 0.42) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 6.448 0.000 12.689) 14.233 2.722 ( 6.847 0.000 11.500) 13.384 2.737 ( -3.963 0.000 -7.830) 8.776 2.968 ( -5.107 0.000 -0.472) 5.128 3.098 ( -12.266 0.000 6.746) 13.999 3.354 ( -15.644 0.000 -5.405) 16.551 4.073 ( 4.409 0.000 5.593) 7.122 4.225 ( -1.593 0.000 -0.054) 1.594 4.829 ( 17.640 0.000 11.006) 20.792 4.945 ( 14.443 0.000 3.664) 14.901 5.039 ( 4.491 0.000 1.638) 4.780 5.227 ( -4.529 0.000 -7.232) 8.533 5.297 ( -3.951 0.000 7.277) 8.281 5.368 ( -3.862 0.000 1.039) 3.999 5.619 ( 7.973 0.000 3.438) 8.682 5.720 ( 5.212 0.000 6.934) 8.675 5.994 ( 5.334 0.000 -6.288) 8.245 6.032 ( -10.568 0.000 -12.136) 16.092 6.165 ( -9.845 0.000 7.676) 12.484 6.379 ( -9.034 0.000 -2.802) 9.459 6.428 ( -0.685 0.000 0.008) 0.685 6.444 ( -2.577 0.000 -2.321) 3.468 7.456 ( 0.323 0.000 -1.071) 1.119 7.548 ( 7.318 0.000 0.960) 7.380 7.604 ( -6.269 0.000 -7.446) 9.734 7.750 ( -2.444 0.000 -8.650) 8.989 8.494 ( 3.075 0.000 5.210) 6.049 8.643 ( -3.983 0.000 -2.485) 4.694 8.892 ( 8.211 0.000 2.235) 8.510 8.995 ( 4.603 0.000 -2.564) 5.269 9.489 ( 1.579 0.000 0.019) 1.579 9.521 ( 0.100 0.000 -1.815) 1.818 9.791 ( 3.148 0.000 2.030) 3.745 9.889 ( -0.264 0.000 -2.596) 2.609 10.072 ( -0.894 0.000 -0.740) 1.161 10.124 ( -3.654 0.000 -3.959) 5.388 10.610 ( 2.980 0.000 -6.194) 6.874 10.703 ( -1.599 0.000 -8.766) 8.911 10.798 ( -0.800 0.000 5.703) 5.759 10.893 ( -5.041 0.000 1.250) 5.193 12.013 ( 4.669 0.000 3.364) 5.755 12.149 ( -1.836 0.000 -3.339) 3.810 12.218 ( 1.238 0.000 1.881) 2.251 12.282 ( -1.819 0.000 -1.125) 2.138 14.202 ( 6.875 0.000 7.458) 10.143 14.462 ( -4.204 0.000 -0.509) 4.235 14.610 ( 0.579 0.000 -1.780) 1.871 14.752 ( -4.507 0.000 -3.967) 6.004 ======================= Grid point 319 (105/140) ======================= q-point: (-0.50 0.00 0.42) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( -13.644 0.000 5.091) 14.563 2.538 ( 13.644 0.000 5.091) 14.563 2.854 ( -6.468 0.000 5.733) 8.643 2.854 ( 6.468 0.000 5.733) 8.643 3.092 ( -9.485 0.000 -3.492) 10.108 3.092 ( 9.485 0.000 -3.492) 10.108 4.163 ( -4.379 0.000 4.289) 6.130 4.163 ( 4.379 0.000 4.289) 6.130 5.117 ( -9.686 0.000 6.980) 11.938 5.117 ( 9.686 0.000 6.980) 11.938 5.133 ( -4.962 0.000 -3.457) 6.047 5.133 ( 4.962 0.000 -3.457) 6.047 5.220 ( -8.716 0.000 5.368) 10.236 5.220 ( 8.716 0.000 5.368) 10.236 5.811 ( -11.260 0.000 -5.212) 12.408 5.811 ( 11.260 0.000 -5.212) 12.408 5.887 ( -10.623 0.000 6.632) 12.523 5.887 ( 10.623 0.000 6.632) 12.523 6.205 ( -8.474 0.000 -3.170) 9.048 6.205 ( 8.474 0.000 -3.170) 9.048 6.422 ( -0.189 0.000 -0.315) 0.368 6.422 ( 0.189 0.000 -0.315) 0.368 7.500 ( -4.052 0.000 -5.482) 6.817 7.500 ( 4.052 0.000 -5.482) 6.817 7.680 ( -5.344 0.000 -4.478) 6.972 7.680 ( 5.344 0.000 -4.478) 6.972 8.557 ( -4.007 0.000 1.551) 4.297 8.557 ( 4.007 0.000 1.551) 4.297 9.007 ( -3.062 0.000 -0.339) 3.080 9.007 ( 3.062 0.000 -0.339) 3.080 9.513 ( -0.896 0.000 -0.350) 0.962 9.513 ( 0.896 0.000 -0.350) 0.962 9.857 ( -2.942 0.000 -0.059) 2.943 9.857 ( 2.942 0.000 -0.059) 2.943 10.078 ( -1.335 0.000 -2.557) 2.884 10.078 ( 1.335 0.000 -2.557) 2.884 10.663 ( -2.425 0.000 -7.953) 8.315 10.663 ( 2.425 0.000 -7.953) 8.315 10.814 ( -2.586 0.000 3.823) 4.616 10.814 ( 2.586 0.000 3.823) 4.616 12.095 ( -3.580 0.000 -0.135) 3.582 12.095 ( 3.580 0.000 -0.135) 3.582 12.247 ( -1.705 0.000 0.144) 1.711 12.247 ( 1.705 0.000 0.144) 1.711 14.340 ( -7.103 0.000 5.867) 9.213 14.340 ( 7.103 0.000 5.867) 9.213 14.666 ( -4.097 0.000 -5.317) 6.713 14.666 ( 4.097 0.000 -5.317) 6.713 ======================= Grid point 324 (106/140) ======================= q-point: ( 0.00 0.14 0.42) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( 0.000 2.493 14.529) 14.741 2.532 ( 0.000 -3.658 14.745) 15.192 2.933 ( 0.000 0.974 4.296) 4.405 3.156 ( 0.000 4.803 -8.111) 9.427 3.661 ( 0.000 -0.188 4.876) 4.880 3.887 ( 0.000 0.328 -0.623) 0.704 4.012 ( 0.000 1.534 17.005) 17.074 4.032 ( 0.000 2.641 2.365) 3.545 4.272 ( 0.000 12.622 -7.121) 14.493 4.506 ( 0.000 0.056 -3.795) 3.795 4.693 ( 0.000 -13.497 11.926) 18.011 5.232 ( 0.000 5.130 5.362) 7.421 5.236 ( 0.000 -5.733 -12.050) 13.344 5.377 ( 0.000 0.843 1.235) 1.495 5.452 ( 0.000 -0.695 11.375) 11.396 5.708 ( 0.000 -1.883 -3.715) 4.165 5.739 ( 0.000 1.506 -5.614) 5.813 6.246 ( 0.000 1.109 -11.667) 11.720 6.402 ( 0.000 -13.309 -9.884) 16.578 6.408 ( 0.000 -6.125 -2.103) 6.476 6.778 ( 0.000 9.135 2.276) 9.415 6.949 ( 0.000 10.205 -8.093) 13.024 7.528 ( 0.000 -7.323 6.604) 9.861 7.601 ( 0.000 -9.276 4.285) 10.218 7.847 ( 0.000 -1.945 13.127) 13.271 8.008 ( 0.000 3.584 -3.601) 5.080 8.067 ( 0.000 -0.590 0.121) 0.602 8.342 ( 0.000 -5.510 -4.459) 7.088 8.559 ( 0.000 7.704 0.143) 7.706 8.658 ( 0.000 9.156 -6.804) 11.408 9.294 ( 0.000 -8.153 -0.881) 8.200 9.450 ( 0.000 -4.734 -7.507) 8.875 9.805 ( 0.000 0.935 -0.831) 1.251 9.843 ( 0.000 3.472 -2.497) 4.277 10.288 ( 0.000 3.567 2.528) 4.372 10.319 ( 0.000 -7.811 -3.908) 8.734 10.568 ( 0.000 -1.890 -4.302) 4.699 10.626 ( 0.000 4.355 -5.851) 7.294 10.998 ( 0.000 8.380 5.634) 10.097 11.175 ( 0.000 5.836 -2.815) 6.480 11.760 ( 0.000 -2.838 8.489) 8.950 12.078 ( 0.000 -2.580 -7.368) 7.807 12.329 ( 0.000 10.579 6.356) 12.341 12.506 ( 0.000 8.947 -2.686) 9.342 13.915 ( 0.000 -1.814 9.381) 9.555 14.354 ( 0.000 -5.795 -12.789) 14.041 14.773 ( 0.000 -3.062 5.189) 6.025 14.887 ( 0.000 -2.800 -0.739) 2.896 ======================= Grid point 325 (107/140) ======================= q-point: ( 0.12 0.14 0.42) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( -6.388 -1.263 15.380) 16.701 2.575 ( 3.491 2.545 13.248) 13.935 2.854 ( -5.979 0.649 2.262) 6.425 3.170 ( 0.006 5.431 -7.468) 9.233 3.638 ( -3.948 -1.081 5.608) 6.943 3.818 ( -9.409 -1.378 -0.513) 9.523 4.032 ( 8.056 -1.225 6.455) 10.395 4.126 ( 1.359 8.996 4.809) 10.291 4.263 ( 4.375 5.613 0.829) 7.165 4.564 ( 5.742 4.237 -1.613) 7.316 4.722 ( 2.497 -13.859 10.077) 17.316 5.182 ( -1.930 -4.733 -7.204) 8.832 5.308 ( 4.064 2.347 0.169) 4.696 5.393 ( 1.753 1.943 3.443) 4.325 5.458 ( 0.854 -1.169 8.367) 8.491 5.730 ( 1.444 0.071 -2.033) 2.495 5.750 ( 1.493 -0.546 -5.314) 5.547 6.234 ( -1.387 0.478 -11.795) 11.885 6.371 ( -2.571 -12.177 -4.716) 13.309 6.413 ( -0.232 -4.514 -5.724) 7.294 6.708 ( -7.090 7.239 2.758) 10.501 6.877 ( -7.029 8.821 -6.943) 13.245 7.457 ( -7.478 -4.747 8.742) 12.445 7.513 ( -2.087 -5.510 5.927) 8.357 7.787 ( -4.602 -2.098 -0.493) 5.081 7.999 ( -6.274 2.466 -8.890) 11.157 8.189 ( 12.406 0.594 8.191) 14.878 8.439 ( 9.195 -5.427 -1.499) 10.782 8.642 ( 7.252 5.394 0.028) 9.039 8.731 ( 6.065 7.756 -5.687) 11.370 9.310 ( 1.652 -8.288 -1.091) 8.521 9.438 ( -1.111 -5.141 -6.573) 8.419 9.815 ( 0.925 2.381 -0.903) 2.709 9.847 ( 0.545 2.127 -2.321) 3.195 10.236 ( -3.536 1.989 1.095) 4.202 10.334 ( -1.109 -4.323 -5.094) 6.772 10.484 ( -4.227 0.349 -0.954) 4.347 10.666 ( 1.150 -0.248 -7.213) 7.309 10.973 ( -2.480 7.249 5.312) 9.323 11.124 ( -4.802 3.680 -1.606) 6.259 11.820 ( 5.600 -0.677 7.075) 9.049 12.098 ( 2.034 -0.793 -6.685) 7.033 12.328 ( -0.153 10.639 6.163) 12.296 12.507 ( -0.011 9.900 -2.891) 10.314 13.947 ( 3.135 -2.459 8.933) 9.781 14.368 ( 1.434 -5.871 -12.376) 13.773 14.734 ( -3.860 -3.180 5.527) 7.454 14.864 ( -2.389 -3.003 -1.218) 4.026 ======================= Grid point 326 (108/140) ======================= q-point: ( 0.25 0.14 0.42) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -2.382 1.126 14.895) 15.127 2.658 ( 4.358 0.620 5.028) 6.683 2.763 ( -2.144 3.577 4.568) 6.186 3.136 ( -3.486 5.894 -5.016) 8.488 3.430 ( -16.281 0.685 6.027) 17.374 3.625 ( -11.139 -1.552 -1.610) 11.361 4.079 ( -0.482 5.793 0.811) 5.869 4.193 ( 5.290 -0.708 -0.509) 5.361 4.495 ( 15.399 2.732 12.286) 19.889 4.709 ( 7.776 -0.596 0.566) 7.819 4.791 ( 5.554 -10.326 8.372) 14.407 5.160 ( -0.165 -5.303 -9.809) 11.152 5.377 ( 2.811 2.224 4.860) 6.039 5.447 ( 3.325 1.499 5.443) 6.552 5.489 ( 1.889 0.014 2.767) 3.351 5.732 ( -0.472 3.195 3.271) 4.597 5.810 ( 3.722 -4.837 -6.728) 9.084 6.181 ( -4.269 -0.556 -12.027) 12.775 6.313 ( -3.078 -9.004 -0.034) 9.515 6.367 ( -5.896 -1.216 -3.197) 6.817 6.549 ( -6.600 4.893 1.941) 8.442 6.705 ( -9.399 6.778 -4.424) 12.404 7.380 ( -1.169 -5.345 6.006) 8.124 7.476 ( -1.163 -1.935 2.502) 3.369 7.736 ( -0.630 1.936 -3.878) 4.380 7.858 ( -6.449 3.450 -9.653) 12.111 8.396 ( 7.704 -0.187 7.114) 10.488 8.609 ( 5.971 -4.240 -2.655) 7.789 8.787 ( 6.491 4.881 0.665) 8.149 8.866 ( 8.028 3.080 -2.741) 9.025 9.355 ( 2.620 -8.579 -1.225) 9.054 9.419 ( -0.456 -5.564 -4.337) 7.069 9.837 ( 1.396 4.932 -0.618) 5.163 9.869 ( 1.624 -0.083 -2.511) 2.992 10.171 ( -2.773 3.760 0.656) 4.717 10.252 ( -5.539 1.583 -4.872) 7.545 10.464 ( 1.051 -5.705 -1.787) 6.070 10.655 ( -2.109 -3.486 -7.528) 8.560 10.910 ( -3.646 4.532 4.273) 7.218 11.008 ( -6.523 0.521 0.161) 6.546 11.953 ( 7.436 2.515 5.096) 9.359 12.155 ( 3.694 4.381 -4.910) 7.547 12.319 ( -0.847 9.991 5.396) 11.386 12.497 ( -1.233 11.771 -3.308) 12.289 14.031 ( 5.340 -3.752 7.986) 10.313 14.404 ( 2.000 -5.917 -10.736) 12.421 14.635 ( -5.727 -3.570 5.798) 8.897 14.798 ( -4.182 -3.528 -2.491) 6.012 ======================= Grid point 327 (109/140) ======================= q-point: ( 0.38 0.14 0.42) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 6.953 2.641 11.278) 13.510 2.701 ( -0.054 -2.317 -6.294) 6.707 2.803 ( 4.300 6.861 10.621) 13.355 3.016 ( -10.225 3.792 0.892) 10.942 3.136 ( -8.692 3.101 5.161) 10.573 3.367 ( -14.046 1.708 -4.882) 14.968 4.118 ( 3.845 4.004 4.792) 7.333 4.244 ( -0.152 2.142 0.750) 2.274 4.744 ( 8.150 -9.398 7.272) 14.409 4.820 ( 3.812 -15.088 1.358) 15.621 4.973 ( 12.067 1.779 6.741) 13.936 5.195 ( 4.164 1.885 -7.126) 8.465 5.386 ( -3.218 3.790 7.555) 9.044 5.477 ( -3.875 4.303 1.351) 5.946 5.536 ( 6.532 -5.194 2.620) 8.747 5.765 ( 4.621 1.259 4.862) 6.825 5.844 ( -1.791 -6.305 -5.974) 8.868 6.112 ( -0.452 1.386 -7.148) 7.295 6.171 ( -11.564 0.796 3.080) 11.994 6.258 ( -3.890 -5.776 0.607) 6.990 6.484 ( -1.109 4.195 -0.857) 4.423 6.558 ( -5.168 6.957 -3.108) 9.207 7.373 ( 0.450 -7.288 -0.305) 7.309 7.461 ( -1.622 -4.346 -2.658) 5.347 7.739 ( 1.201 7.895 -3.956) 8.912 7.797 ( -0.196 4.755 -7.078) 8.530 8.489 ( 2.729 -0.630 4.879) 5.625 8.626 ( -3.213 -1.907 -2.017) 4.246 8.918 ( 6.686 2.397 1.496) 7.259 8.999 ( 4.254 0.539 -2.230) 4.833 9.398 ( 1.776 -8.491 -0.885) 8.719 9.425 ( 0.697 -5.092 -1.909) 5.482 9.873 ( 2.208 4.678 -0.933) 5.256 9.901 ( 1.297 0.384 -3.017) 3.306 10.137 ( -0.677 5.786 0.420) 5.840 10.166 ( -2.902 4.032 -2.360) 5.500 10.492 ( 1.588 -9.150 -5.110) 10.600 10.595 ( -3.644 -6.950 -6.941) 10.476 10.846 ( -2.518 1.585 2.878) 4.140 10.889 ( -5.131 -1.041 1.451) 5.433 12.092 ( 6.454 4.884 4.194) 9.116 12.227 ( 2.259 11.830 -0.295) 12.047 12.303 ( 0.415 7.023 1.320) 7.158 12.453 ( -3.347 12.775 -3.611) 13.690 14.149 ( 6.658 -4.659 7.013) 10.734 14.405 ( -3.680 -5.207 -1.499) 6.550 14.560 ( -0.024 -4.607 -0.968) 4.708 14.708 ( -4.892 -4.217 -4.153) 7.679 ======================= Grid point 328 (110/140) ======================= q-point: (-0.50 0.14 0.42) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( -12.772 2.432 4.809) 13.862 2.563 ( 12.772 2.432 4.809) 13.862 2.877 ( -4.243 1.894 3.742) 5.966 2.877 ( 4.243 1.894 3.742) 5.966 3.137 ( -7.762 4.398 -1.466) 9.041 3.137 ( 7.762 4.398 -1.466) 9.041 4.199 ( -3.873 3.537 4.231) 6.740 4.199 ( 3.873 3.537 4.231) 6.740 4.835 ( -2.119 -16.777 1.234) 16.955 4.835 ( 2.119 -16.777 1.234) 16.955 5.203 ( -9.330 4.350 3.890) 11.005 5.203 ( 9.330 4.350 3.890) 11.005 5.360 ( -6.157 4.348 3.480) 8.302 5.360 ( 6.157 4.348 3.480) 8.302 5.697 ( -8.881 -6.602 -3.895) 11.732 5.697 ( 8.881 -6.602 -3.895) 11.732 5.946 ( -10.628 2.672 5.320) 12.182 5.946 ( 10.628 2.672 5.320) 12.182 6.171 ( -4.682 -2.279 -1.766) 5.498 6.171 ( 4.682 -2.279 -1.766) 5.498 6.493 ( -1.898 5.849 -1.699) 6.380 6.493 ( 1.898 5.849 -1.699) 6.380 7.407 ( -2.952 -6.910 -4.274) 8.645 7.407 ( 2.952 -6.910 -4.274) 8.645 7.783 ( -2.032 7.805 -4.554) 9.262 7.783 ( 2.032 7.805 -4.554) 9.262 8.546 ( -3.779 -1.295 1.528) 4.277 8.546 ( 3.779 -1.295 1.528) 4.277 9.014 ( -2.526 0.729 -0.495) 2.676 9.014 ( 2.526 0.729 -0.495) 2.676 9.425 ( -0.849 -6.400 -0.882) 6.516 9.425 ( 0.849 -6.400 -0.882) 6.516 9.907 ( -0.828 2.410 -2.526) 3.588 9.907 ( 0.828 2.410 -2.526) 3.588 10.136 ( -0.480 6.127 -0.080) 6.146 10.136 ( 0.480 6.127 -0.080) 6.146 10.530 ( -2.647 -9.870 -6.661) 12.198 10.530 ( 2.647 -9.870 -6.661) 12.198 10.827 ( -0.999 -0.473 2.137) 2.406 10.827 ( 0.999 -0.473 2.137) 2.406 12.196 ( -4.055 8.421 4.290) 10.284 12.196 ( 4.055 8.421 4.290) 10.284 12.371 ( -4.785 11.298 -3.579) 12.781 12.371 ( 4.785 11.298 -3.579) 12.781 14.286 ( -7.141 -4.876 5.456) 10.224 14.286 ( 7.141 -4.876 5.456) 10.224 14.615 ( -4.341 -4.824 -5.275) 8.363 14.615 ( 4.341 -4.824 -5.275) 8.363 ======================= Grid point 333 (111/140) ======================= q-point: ( 0.00 0.29 0.42) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 0.000 -2.255 9.295) 9.565 2.540 ( 0.000 0.892 3.834) 3.936 2.967 ( 0.000 3.003 12.313) 12.674 3.273 ( 0.000 5.046 -4.073) 6.485 3.607 ( 0.000 -3.838 9.424) 10.176 3.929 ( 0.000 1.044 -4.420) 4.542 4.087 ( 0.000 6.523 16.298) 17.555 4.166 ( 0.000 9.833 6.373) 11.718 4.403 ( 0.000 -8.188 3.880) 9.061 4.483 ( 0.000 -2.723 -2.928) 3.998 4.591 ( 0.000 13.025 0.363) 13.030 5.085 ( 0.000 -8.092 -14.102) 16.259 5.253 ( 0.000 -3.450 6.748) 7.579 5.359 ( 0.000 -4.111 1.705) 4.450 5.459 ( 0.000 2.477 8.907) 9.245 5.663 ( 0.000 -2.175 -2.769) 3.521 5.777 ( 0.000 2.140 -4.142) 4.662 6.133 ( 0.000 -11.259 -4.260) 12.038 6.276 ( 0.000 0.757 -16.112) 16.130 6.309 ( 0.000 -3.120 -5.127) 6.001 6.957 ( 0.000 7.590 4.332) 8.739 7.105 ( 0.000 4.438 -2.594) 5.141 7.352 ( 0.000 -8.000 3.318) 8.661 7.405 ( 0.000 -8.694 1.201) 8.776 7.857 ( 0.000 3.391 8.976) 9.595 8.056 ( 0.000 0.983 -2.066) 2.288 8.069 ( 0.000 0.485 3.679) 3.711 8.241 ( 0.000 -4.487 -3.051) 5.426 8.709 ( 0.000 6.128 -2.350) 6.563 8.842 ( 0.000 7.541 -8.978) 11.724 9.130 ( 0.000 -6.111 1.727) 6.350 9.353 ( 0.000 -4.394 -7.666) 8.836 9.813 ( 0.000 0.088 0.441) 0.450 9.903 ( 0.000 0.670 -3.596) 3.658 10.180 ( 0.000 -3.321 -0.966) 3.458 10.328 ( 0.000 -0.197 -3.619) 3.624 10.590 ( 0.000 3.950 -0.277) 3.960 10.716 ( 0.000 3.680 -4.888) 6.118 11.149 ( 0.000 4.407 4.734) 6.468 11.244 ( 0.000 -0.169 0.399) 0.434 11.788 ( 0.000 7.010 8.147) 10.748 12.142 ( 0.000 8.534 -9.589) 12.837 12.540 ( 0.000 7.931 4.384) 9.062 12.593 ( 0.000 -1.988 1.463) 2.469 13.912 ( 0.000 2.267 4.887) 5.387 14.203 ( 0.000 -7.637 -9.921) 12.520 14.693 ( 0.000 -4.041 3.836) 5.572 14.804 ( 0.000 -5.041 -1.685) 5.315 ======================= Grid point 334 (112/140) ======================= q-point: ( 0.12 0.29 0.42) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( -3.674 0.889 10.280) 10.953 2.568 ( 1.680 -1.925 1.235) 2.838 2.952 ( -0.917 6.882 12.671) 14.449 3.266 ( -1.028 3.046 -3.495) 4.749 3.584 ( -2.545 -2.958 8.984) 9.795 3.831 ( -10.138 2.128 -1.063) 10.414 4.092 ( 5.928 6.963 8.441) 12.445 4.306 ( -3.765 5.045 -0.742) 6.339 4.355 ( 7.326 1.174 2.952) 7.985 4.433 ( -1.419 -9.084 7.868) 12.101 4.697 ( 6.644 8.305 1.144) 10.697 5.052 ( -1.017 -6.063 -11.059) 12.652 5.321 ( 4.753 -3.683 4.771) 7.676 5.393 ( 3.296 -4.800 2.665) 6.404 5.424 ( -2.720 1.873 7.008) 7.747 5.675 ( 1.238 -3.209 -4.542) 5.697 5.794 ( 1.282 2.818 -1.771) 3.567 6.125 ( -1.139 -10.482 -6.280) 12.272 6.246 ( -0.958 0.831 -6.782) 6.900 6.356 ( 2.249 -1.656 -10.323) 10.694 6.849 ( -9.763 5.999 4.792) 12.420 7.008 ( -8.901 3.533 -1.956) 9.775 7.337 ( -4.957 -6.087 3.547) 8.614 7.371 ( 1.686 -6.424 2.036) 6.947 7.825 ( -1.607 5.008 3.402) 6.263 8.033 ( -4.409 0.987 -6.014) 7.522 8.193 ( 10.675 -0.215 6.022) 12.259 8.332 ( 8.948 -4.865 -0.277) 10.189 8.762 ( 5.111 5.358 -1.696) 7.596 8.891 ( 3.978 7.022 -7.600) 11.086 9.138 ( 0.968 -6.936 0.818) 7.051 9.334 ( -1.686 -4.592 -7.232) 8.731 9.825 ( 1.212 -0.099 0.008) 1.216 9.905 ( 0.328 0.929 -3.554) 3.688 10.183 ( 0.319 -2.546 -1.097) 2.790 10.318 ( -0.946 0.229 -3.799) 3.921 10.529 ( -5.541 3.866 0.593) 6.783 10.688 ( -3.062 1.396 -6.087) 6.956 11.097 ( -5.004 3.467 4.306) 7.457 11.160 ( -7.348 -0.377 1.342) 7.479 11.879 ( 8.092 7.405 7.363) 13.211 12.200 ( 5.645 9.698 -8.879) 14.309 12.551 ( 0.867 8.958 4.830) 10.214 12.624 ( 2.823 -0.271 0.981) 3.001 13.924 ( 1.307 1.266 4.814) 5.146 14.214 ( 1.096 -7.963 -9.862) 12.723 14.651 ( -4.223 -4.230 4.134) 7.268 14.774 ( -2.993 -5.419 -2.067) 6.526 ======================= Grid point 335 (113/140) ======================= q-point: ( 0.25 0.29 0.42) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 0.064 3.862 10.339) 11.037 2.600 ( 2.110 -2.982 -2.591) 4.478 2.953 ( 0.947 10.034 11.972) 15.650 3.218 ( -4.169 0.980 -0.920) 4.380 3.457 ( -11.802 2.389 5.725) 13.333 3.633 ( -8.752 3.813 -0.924) 9.591 4.188 ( -3.746 2.207 -0.247) 4.355 4.232 ( 6.622 5.061 4.548) 9.495 4.414 ( 0.466 -17.538 3.165) 17.827 4.532 ( 5.020 0.295 2.587) 5.656 4.834 ( 9.042 6.312 6.665) 12.885 5.099 ( 5.299 -0.777 -6.884) 8.722 5.353 ( -0.569 -7.093 6.259) 9.477 5.429 ( 2.785 1.631 4.716) 5.714 5.465 ( 3.030 -4.642 1.468) 5.734 5.708 ( 1.829 -4.020 -8.040) 9.173 5.814 ( 0.882 4.165 3.769) 5.686 6.097 ( -1.225 -6.503 -5.407) 8.546 6.231 ( -1.451 0.656 -0.880) 1.819 6.345 ( -4.641 -1.306 -8.292) 9.592 6.664 ( -6.910 5.884 3.622) 9.771 6.824 ( -8.218 4.696 -2.518) 9.794 7.251 ( -3.682 -6.017 4.113) 8.166 7.393 ( -0.319 -5.580 -0.902) 5.662 7.833 ( 2.633 6.652 -0.694) 7.188 7.939 ( -3.405 4.028 -5.793) 7.835 8.382 ( 7.216 -1.168 5.404) 9.090 8.507 ( 7.022 -5.300 -0.612) 8.819 8.885 ( 6.638 4.147 -0.867) 7.875 8.958 ( 2.779 5.509 -3.667) 7.178 9.174 ( 2.613 -7.754 -1.088) 8.255 9.306 ( -0.581 -5.133 -6.212) 8.079 9.858 ( 2.071 -0.346 -1.366) 2.505 9.919 ( 1.114 1.535 -3.771) 4.221 10.195 ( 1.154 -0.687 -1.249) 1.834 10.292 ( -1.742 1.946 -3.994) 4.772 10.414 ( -5.121 1.496 1.315) 5.495 10.598 ( -5.927 -2.298 -7.274) 9.660 10.973 ( -7.146 1.242 3.472) 8.041 10.997 ( -8.683 -1.260 2.103) 9.023 12.062 ( 9.991 8.851 6.918) 15.033 12.342 ( 8.304 11.514 -7.501) 16.056 12.559 ( -0.366 11.273 5.816) 12.690 12.682 ( 2.462 3.955 -0.354) 4.673 13.966 ( 3.063 -1.217 4.749) 5.781 14.246 ( 2.062 -8.447 -9.307) 12.737 14.540 ( -6.652 -4.923 4.577) 9.457 14.692 ( -5.173 -6.410 -3.106) 8.803 ======================= Grid point 336 (114/140) ======================= q-point: ( 0.38 0.29 0.42) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 7.563 5.203 8.221) 12.323 2.667 ( 4.491 -0.892 -3.781) 5.938 2.942 ( -4.445 4.501 8.062) 10.248 3.086 ( -10.135 0.897 0.946) 10.218 3.243 ( -4.520 9.712 5.426) 12.008 3.454 ( -9.685 7.193 -3.566) 12.579 4.189 ( 3.234 -1.017 5.719) 6.648 4.306 ( 0.560 -0.035 6.774) 6.797 4.454 ( 3.210 -13.438 -3.397) 14.227 4.550 ( -1.547 -5.309 -1.464) 5.720 5.054 ( 11.900 3.829 8.042) 14.864 5.198 ( 4.322 -5.662 0.455) 7.138 5.390 ( 2.464 -1.959 -1.717) 3.586 5.414 ( -3.373 -4.371 1.563) 5.738 5.525 ( 3.203 0.626 4.275) 5.378 5.710 ( -2.012 -1.700 -4.348) 5.084 5.863 ( 4.672 3.427 6.009) 8.347 6.087 ( -0.089 -2.825 -0.150) 2.830 6.171 ( -5.821 -0.856 2.421) 6.362 6.196 ( -6.928 -0.635 -3.525) 7.799 6.606 ( 0.220 7.207 -0.111) 7.211 6.713 ( -3.873 7.946 -4.172) 9.775 7.205 ( -0.498 -8.220 0.853) 8.279 7.339 ( -4.838 -7.365 -3.900) 9.636 7.912 ( 4.436 8.616 -2.386) 9.980 7.935 ( 2.557 7.673 -3.993) 9.020 8.459 ( 1.396 -2.375 3.838) 4.725 8.556 ( -1.947 -4.786 -0.876) 5.241 8.987 ( 3.965 4.020 -0.242) 5.652 9.022 ( 3.089 1.786 -1.968) 4.075 9.232 ( 3.432 -6.833 -1.131) 7.730 9.313 ( 0.483 -5.358 -4.108) 6.769 9.901 ( 2.237 0.035 -3.414) 4.082 9.943 ( 0.934 2.217 -4.841) 5.405 10.239 ( 3.441 -1.101 -2.384) 4.329 10.260 ( -0.512 3.019 -1.269) 3.314 10.346 ( -2.541 0.805 -0.186) 2.672 10.468 ( -7.035 -4.010 -6.546) 10.413 10.839 ( -5.981 -2.351 2.878) 7.041 10.847 ( -6.001 -2.342 1.824) 6.695 12.253 ( 9.281 10.711 6.944) 15.782 12.490 ( 3.436 10.575 -2.155) 11.326 12.537 ( 0.918 14.568 2.827) 14.868 12.700 ( -0.920 8.726 -2.205) 9.047 14.047 ( 5.323 -3.758 4.701) 8.035 14.268 ( -1.559 -7.011 -4.071) 8.256 14.431 ( -2.420 -7.232 0.856) 7.675 14.581 ( -5.954 -7.678 -4.465) 10.692 ======================= Grid point 337 (115/140) ======================= q-point: (-0.50 0.29 0.42) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( -10.573 4.547 3.971) 12.175 2.637 ( 10.573 4.547 3.971) 12.175 2.902 ( -6.562 -0.305 1.138) 6.667 2.902 ( 6.562 -0.305 1.138) 6.667 3.288 ( -6.608 10.460 1.194) 12.430 3.288 ( 6.608 10.460 1.194) 12.430 4.269 ( -3.835 -2.723 7.031) 8.459 4.269 ( 3.835 -2.723 7.031) 8.459 4.510 ( -2.336 -7.997 -3.284) 8.955 4.510 ( 2.336 -7.997 -3.284) 8.955 5.234 ( -4.622 -8.550 4.547) 10.730 5.234 ( 4.622 -8.550 4.547) 10.730 5.366 ( -3.292 3.943 0.395) 5.152 5.366 ( 3.292 3.943 0.395) 5.152 5.630 ( -6.215 -0.648 -0.884) 6.311 5.630 ( 6.215 -0.648 -0.884) 6.311 5.988 ( -7.860 1.706 5.780) 9.905 5.988 ( 7.860 1.706 5.780) 9.905 6.128 ( -1.974 -1.962 -0.299) 2.799 6.128 ( 1.974 -1.962 -0.299) 2.799 6.645 ( -3.186 8.566 -2.720) 9.535 6.645 ( 3.186 8.566 -2.720) 9.535 7.242 ( -4.086 -8.732 -3.216) 10.163 7.242 ( 4.086 -8.732 -3.216) 10.163 7.970 ( -0.663 9.778 -3.174) 10.301 7.970 ( 0.663 9.778 -3.174) 10.301 8.491 ( -2.942 -4.273 1.263) 5.339 8.491 ( 2.942 -4.273 1.263) 5.339 9.042 ( -1.155 2.053 -0.968) 2.546 9.042 ( 1.155 2.053 -0.968) 2.546 9.296 ( -2.429 -5.686 -1.893) 6.466 9.296 ( 2.429 -5.686 -1.893) 6.466 9.939 ( -1.356 1.505 -5.006) 5.400 9.939 ( 1.356 1.505 -5.006) 5.400 10.287 ( -3.131 -0.560 -1.065) 3.355 10.287 ( 3.131 -0.560 -1.065) 3.355 10.338 ( -5.970 -0.044 -3.583) 6.963 10.338 ( 5.970 -0.044 -3.583) 6.963 10.780 ( -0.415 -3.964 1.949) 4.437 10.780 ( 0.415 -3.964 1.949) 4.437 12.413 ( -6.848 11.875 6.715) 15.265 12.413 ( 6.848 11.875 6.715) 15.265 12.642 ( -4.980 12.170 -3.938) 13.726 12.642 ( 4.980 12.170 -3.938) 13.726 14.168 ( -6.748 -5.137 3.633) 9.226 14.168 ( 6.748 -5.137 3.633) 9.226 14.472 ( -4.860 -8.659 -5.066) 11.148 14.472 ( 4.860 -8.659 -5.066) 11.148 ======================= Grid point 342 (116/140) ======================= q-point: ( 0.00 0.43 0.42) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 0.000 1.702 6.045) 6.280 2.514 ( 0.000 -2.946 2.664) 3.972 3.083 ( 0.000 7.917 11.785) 14.198 3.257 ( 0.000 -6.988 4.015) 8.059 3.636 ( 0.000 7.659 7.649) 10.825 3.835 ( 0.000 -9.268 1.152) 9.340 4.254 ( 0.000 7.470 8.792) 11.537 4.349 ( 0.000 3.446 2.681) 4.366 4.360 ( 0.000 5.340 5.355) 7.563 4.391 ( 0.000 -5.356 -0.541) 5.383 4.859 ( 0.000 9.601 -4.375) 10.551 4.942 ( 0.000 -4.011 -5.847) 7.090 5.135 ( 0.000 -4.338 8.289) 9.356 5.218 ( 0.000 -8.442 3.329) 9.074 5.536 ( 0.000 4.225 0.900) 4.320 5.613 ( 0.000 -2.918 -2.234) 3.674 5.831 ( 0.000 3.306 -3.274) 4.653 5.937 ( 0.000 -7.249 -4.123) 8.340 6.278 ( 0.000 -0.179 -8.355) 8.356 6.283 ( 0.000 -0.196 -11.962) 11.963 7.083 ( 0.000 4.424 4.679) 6.440 7.139 ( 0.000 -0.796 2.486) 2.611 7.240 ( 0.000 -2.234 1.210) 2.540 7.264 ( 0.000 -4.342 0.144) 4.345 7.967 ( 0.000 6.053 3.744) 7.118 8.053 ( 0.000 -1.523 0.072) 1.524 8.085 ( 0.000 1.273 2.373) 2.693 8.145 ( 0.000 -4.526 -0.559) 4.561 8.813 ( 0.000 4.137 -4.325) 5.985 8.891 ( 0.000 -2.854 -7.863) 8.365 9.125 ( 0.000 5.543 -0.669) 5.583 9.254 ( 0.000 -5.578 -5.929) 8.140 9.821 ( 0.000 0.915 0.524) 1.054 9.861 ( 0.000 -2.928 -1.083) 3.122 10.205 ( 0.000 3.984 -2.994) 4.984 10.288 ( 0.000 -3.302 -5.196) 6.157 10.697 ( 0.000 5.121 0.018) 5.121 10.758 ( 0.000 -0.216 -2.656) 2.665 11.179 ( 0.000 -0.097 3.275) 3.277 11.200 ( 0.000 -2.481 2.414) 3.462 12.042 ( 0.000 15.474 8.028) 17.432 12.307 ( 0.000 -2.167 -1.052) 2.408 12.485 ( 0.000 0.268 -0.826) 0.868 12.599 ( 0.000 -2.954 -1.829) 3.474 13.991 ( 0.000 4.204 0.794) 4.279 14.073 ( 0.000 -4.485 -3.912) 5.951 14.639 ( 0.000 -0.244 0.622) 0.668 14.694 ( 0.000 -4.837 -1.898) 5.197 ======================= Grid point 343 (117/140) ======================= q-point: ( 0.12 0.43 0.42) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( -0.450 2.852 6.104) 6.752 2.516 ( 0.418 -3.090 2.200) 3.816 3.095 ( 0.947 6.969 10.653) 12.766 3.240 ( -1.822 -5.779 4.131) 7.334 3.627 ( -0.863 7.855 7.449) 10.860 3.811 ( -2.375 -6.478 1.453) 7.051 4.232 ( -7.594 -0.103 2.631) 8.038 4.285 ( 1.996 8.106 7.800) 11.425 4.311 ( -6.568 -2.546 -2.781) 7.573 4.441 ( 4.188 -2.105 2.259) 5.203 4.897 ( 3.912 9.540 -0.251) 10.314 4.999 ( 6.107 1.382 -4.161) 7.518 5.177 ( 2.048 -6.901 8.692) 11.286 5.239 ( 1.972 -8.764 4.511) 10.052 5.504 ( -1.850 4.811 -1.004) 5.251 5.602 ( -0.567 -4.154 -4.506) 6.155 5.856 ( 2.198 3.343 -1.693) 4.344 5.950 ( 1.304 -6.169 -3.209) 7.075 6.277 ( 0.575 2.040 -7.716) 8.002 6.321 ( 1.901 -1.949 -10.256) 10.611 6.955 ( -10.160 4.309 5.366) 12.271 7.024 ( -9.214 -1.799 3.581) 10.048 7.250 ( -1.832 -1.483 -0.545) 2.420 7.271 ( 1.522 -3.099 -0.487) 3.487 7.952 ( -0.848 6.058 2.018) 6.441 8.034 ( -2.491 -1.422 -1.588) 3.278 8.191 ( 9.230 0.526 3.258) 9.802 8.237 ( 8.622 -3.924 0.956) 9.521 8.857 ( 4.229 3.959 -3.764) 6.909 8.937 ( 4.274 -3.296 -7.088) 8.909 9.115 ( -1.072 5.236 -1.047) 5.446 9.235 ( -1.708 -5.308 -5.886) 8.108 9.830 ( 0.982 0.862 0.049) 1.308 9.869 ( 0.881 -2.775 -1.475) 3.264 10.213 ( 0.739 3.903 -2.829) 4.877 10.290 ( 0.239 -2.846 -4.857) 5.634 10.626 ( -6.674 4.696 -0.244) 8.164 10.693 ( -6.217 -1.358 -3.346) 7.189 11.120 ( -5.720 -0.111 3.138) 6.526 11.132 ( -6.391 -1.482 2.597) 7.056 12.124 ( 7.678 14.593 7.818) 18.249 12.371 ( 6.087 -1.889 -0.923) 6.440 12.545 ( 5.596 0.528 -0.393) 5.635 12.638 ( 3.562 -1.515 -0.931) 3.981 13.991 ( -0.003 4.004 0.604) 4.049 14.075 ( 0.292 -4.870 -4.215) 6.447 14.594 ( -4.471 -0.175 0.708) 4.530 14.655 ( -3.876 -5.274 -2.117) 6.879 ======================= Grid point 344 (118/140) ======================= q-point: ( 0.25 0.43 0.42) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 2.214 4.725 5.654) 7.694 2.543 ( 2.831 -3.064 1.024) 4.296 3.097 ( -1.680 4.235 7.790) 9.025 3.180 ( -4.509 -3.772 3.996) 7.108 3.596 ( -2.616 11.232 6.006) 13.003 3.750 ( -3.676 2.851 0.966) 4.751 4.073 ( -7.446 -9.421 1.812) 12.144 4.122 ( -9.462 -8.234 0.504) 12.553 4.396 ( 7.018 8.519 2.466) 11.310 4.521 ( 4.250 -2.401 -2.284) 5.389 4.998 ( 4.991 8.406 5.746) 11.340 5.112 ( -1.569 1.637 5.631) 6.071 5.192 ( 6.190 -6.320 0.062) 8.847 5.279 ( 2.118 -9.257 1.846) 9.674 5.518 ( 3.207 4.766 -0.285) 5.752 5.621 ( 2.730 -4.738 -4.818) 7.288 5.900 ( 1.964 4.022 2.046) 4.921 5.984 ( 2.036 -4.354 -0.324) 4.817 6.263 ( -2.971 1.985 -3.995) 5.359 6.307 ( -4.255 -2.152 -7.009) 8.477 6.788 ( -5.149 5.740 3.929) 8.654 6.873 ( -4.562 -1.161 1.647) 4.987 7.182 ( -5.085 0.726 -0.475) 5.158 7.267 ( -2.608 -5.970 -2.748) 7.071 7.968 ( 3.100 5.034 0.079) 5.913 8.005 ( 0.732 1.480 -1.624) 2.316 8.360 ( 6.400 -0.229 3.057) 7.096 8.402 ( 6.487 -4.199 0.941) 7.785 8.959 ( 5.648 3.197 -2.604) 6.993 9.033 ( 4.908 -3.544 -4.881) 7.777 9.092 ( -0.811 4.721 -1.686) 5.078 9.203 ( -1.034 -5.040 -5.729) 7.700 9.860 ( 2.123 0.838 -1.485) 2.723 9.897 ( 2.139 -2.429 -2.775) 4.263 10.229 ( 0.435 3.577 -3.268) 4.865 10.296 ( -0.150 -1.874 -4.867) 5.217 10.478 ( -6.798 3.635 0.167) 7.710 10.547 ( -7.704 -2.812 -3.698) 8.996 10.971 ( -9.144 -0.441 2.952) 9.619 10.976 ( -8.989 -0.744 2.694) 9.414 12.308 ( 10.431 13.462 7.434) 18.582 12.519 ( 8.410 -0.914 -0.696) 8.488 12.672 ( 6.480 0.720 0.559) 6.544 12.712 ( 3.428 2.025 1.189) 4.155 13.997 ( 0.947 3.521 0.201) 3.652 14.091 ( 1.534 -5.800 -4.928) 7.763 14.474 ( -7.559 -0.131 0.830) 7.606 14.550 ( -6.644 -6.444 -2.772) 9.662 ======================= Grid point 345 (119/140) ======================= q-point: ( 0.38 0.43 0.42) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 7.824 5.523 4.402) 10.541 2.642 ( 7.376 -2.333 -0.081) 7.737 2.993 ( -9.172 1.844 4.728) 10.482 3.049 ( -9.236 -3.141 2.300) 10.023 3.548 ( -0.973 17.695 4.353) 18.248 3.664 ( -5.147 11.992 -0.389) 13.055 3.970 ( -2.702 -17.197 3.011) 17.666 3.996 ( -3.492 -16.507 2.558) 17.065 4.540 ( 7.198 9.650 0.883) 12.071 4.610 ( 4.450 5.146 -2.966) 7.422 5.002 ( -5.329 -8.252 4.750) 10.911 5.023 ( -3.458 -6.817 3.201) 8.287 5.349 ( 7.759 1.676 1.139) 8.019 5.394 ( 9.423 -1.026 -0.994) 9.530 5.579 ( 1.398 3.935 2.810) 5.033 5.663 ( -0.221 -3.470 -1.391) 3.745 5.941 ( 3.100 3.992 5.371) 7.375 6.021 ( 1.715 -3.492 3.128) 4.992 6.165 ( -6.229 0.300 0.722) 6.278 6.180 ( -6.944 -0.944 -2.312) 7.380 6.768 ( 2.282 7.774 0.057) 8.102 6.856 ( 1.440 2.892 -3.076) 4.461 7.068 ( -5.526 -2.252 -0.520) 5.990 7.169 ( -6.657 -8.314 -4.088) 11.408 8.073 ( 6.786 5.551 -0.859) 8.809 8.080 ( 6.616 4.985 -1.340) 8.392 8.403 ( -1.830 -1.878 1.892) 3.234 8.442 ( -2.544 -5.179 0.009) 5.770 9.054 ( 3.768 2.532 -1.598) 4.813 9.096 ( 0.999 4.886 -2.435) 5.549 9.120 ( 4.175 -3.924 -1.967) 6.057 9.204 ( 0.493 -5.188 -4.391) 6.815 9.916 ( 3.752 1.605 -3.756) 5.546 9.957 ( 3.938 -1.321 -5.067) 6.552 10.180 ( -5.697 0.198 -5.683) 8.049 10.240 ( -5.781 -3.962 -6.784) 9.754 10.440 ( 2.596 4.051 1.873) 5.164 10.465 ( 1.051 1.517 0.027) 1.846 10.785 ( -9.318 -1.642 2.908) 9.898 10.796 ( -9.084 -2.291 2.286) 9.643 12.507 ( 9.457 12.359 6.791) 16.980 12.670 ( 5.970 2.017 -0.138) 6.303 12.740 ( 0.366 3.724 3.824) 5.350 12.778 ( 2.876 1.262 0.799) 3.240 14.039 ( 3.509 3.050 -0.058) 4.650 14.140 ( 3.340 -5.574 -5.253) 8.356 14.317 ( -7.774 -1.193 0.593) 7.887 14.408 ( -7.514 -8.004 -3.741) 11.598 ======================= Grid point 346 (120/140) ======================= q-point: (-0.50 0.43 0.42) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( -8.423 5.573 2.623) 10.434 2.745 ( 8.423 5.573 2.623) 10.434 2.853 ( -7.334 -4.225 1.244) 8.555 2.853 ( 7.334 -4.225 1.244) 8.555 3.575 ( -3.403 16.636 1.913) 17.088 3.575 ( 3.403 16.636 1.913) 17.088 3.958 ( -0.791 -19.292 3.123) 19.559 3.958 ( 0.791 -19.292 3.123) 19.559 4.645 ( -2.274 13.267 -0.246) 13.463 4.645 ( 2.274 13.267 -0.246) 13.463 4.953 ( -1.688 -15.346 0.901) 15.465 4.953 ( 1.688 -15.346 0.901) 15.465 5.493 ( -4.656 6.145 2.293) 8.043 5.493 ( 4.656 6.145 2.293) 8.043 5.595 ( -5.134 -3.301 1.164) 6.214 5.595 ( 5.134 -3.301 1.164) 6.214 6.029 ( -4.617 2.375 4.352) 6.775 6.029 ( 4.616 2.375 4.352) 6.775 6.082 ( -2.417 -2.477 1.874) 3.935 6.082 ( 2.417 -2.477 1.874) 3.935 6.841 ( -3.877 9.921 -2.916) 11.044 6.841 ( 3.877 9.921 -2.916) 11.044 7.048 ( -4.315 -9.785 -2.882) 11.076 7.048 ( 4.315 -9.785 -2.882) 11.076 8.177 ( -0.802 9.793 -1.224) 9.902 8.177 ( 0.802 9.793 -1.224) 9.902 8.364 ( -1.778 -7.769 0.384) 7.979 8.364 ( 1.778 -7.769 0.384) 7.979 9.102 ( -0.974 3.625 -1.747) 4.140 9.102 ( 0.974 3.625 -1.747) 4.140 9.189 ( -2.366 -4.652 -2.253) 5.685 9.189 ( 2.366 -4.652 -2.253) 5.685 9.997 ( -2.932 4.325 -6.006) 7.961 9.997 ( 2.932 4.325 -6.006) 7.961 10.122 ( -3.657 -7.618 -6.334) 10.561 10.122 ( 3.657 -7.618 -6.334) 10.561 10.508 ( -1.157 8.604 2.148) 8.943 10.508 ( 1.157 8.604 2.148) 8.943 10.668 ( -0.906 -6.611 2.144) 7.009 10.668 ( 0.906 -6.611 2.144) 7.009 12.658 ( -5.615 10.488 5.331) 13.036 12.658 ( 5.615 10.488 5.331) 13.036 12.784 ( -2.344 0.068 0.860) 2.497 12.784 ( 2.344 0.068 0.860) 2.497 14.133 ( -5.504 2.876 -0.578) 6.237 14.133 ( 5.504 2.876 -0.578) 6.237 14.275 ( -5.187 -9.369 -4.025) 11.440 14.275 ( 5.187 -9.369 -4.025) 11.440 ======================= Grid point 378 (121/140) ======================= q-point: ( 0.00 0.00 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( 0.000 0.000 -16.818) 16.818 2.826 ( 0.000 0.000 16.818) 16.818 2.853 ( 0.000 0.000 -8.814) 8.814 2.853 ( 0.000 0.000 8.814) 8.814 3.752 ( 0.000 0.000 -7.412) 7.412 3.752 ( 0.000 0.000 7.412) 7.412 4.021 ( 0.000 0.000 -2.948) 2.948 4.021 ( 0.000 0.000 2.948) 2.948 4.360 ( 0.000 0.000 -13.140) 13.140 4.360 ( 0.000 0.000 13.140) 13.140 5.132 ( 0.000 0.000 -13.690) 13.690 5.132 ( 0.000 0.000 13.690) 13.690 5.227 ( 0.000 0.000 -4.922) 4.922 5.227 ( 0.000 0.000 4.922) 4.922 5.665 ( 0.000 0.000 -0.754) 0.754 5.665 ( 0.000 0.000 0.754) 0.754 5.847 ( 0.000 0.000 -23.214) 23.214 5.847 ( 0.000 0.000 23.214) 23.214 6.573 ( 0.000 0.000 -3.832) 3.832 6.573 ( 0.000 0.000 3.832) 3.832 6.619 ( 0.000 0.000 -0.426) 0.426 6.619 ( 0.000 0.000 0.426) 0.426 7.787 ( 0.000 0.000 -8.973) 8.973 7.787 ( 0.000 0.000 8.973) 8.973 7.898 ( 0.000 0.000 -8.309) 8.309 7.898 ( 0.000 0.000 8.309) 8.309 8.221 ( 0.000 0.000 -14.713) 14.713 8.221 ( 0.000 0.000 14.713) 14.713 8.485 ( 0.000 0.000 -0.186) 0.186 8.485 ( 0.000 0.000 0.187) 0.187 9.419 ( 0.000 0.000 -3.152) 3.152 9.419 ( 0.000 0.000 3.152) 3.152 9.766 ( 0.000 0.000 -0.392) 0.392 9.766 ( 0.000 0.000 0.392) 0.392 10.334 ( 0.000 0.000 -4.457) 4.457 10.334 ( 0.000 0.000 4.457) 4.457 10.521 ( 0.000 0.000 -1.596) 1.596 10.521 ( 0.000 0.000 1.596) 1.596 11.004 ( 0.000 0.000 -5.427) 5.427 11.004 ( 0.000 0.000 5.427) 5.427 12.002 ( 0.000 0.000 -9.230) 9.230 12.002 ( 0.000 0.000 9.230) 9.230 12.286 ( 0.000 0.000 -4.125) 4.125 12.286 ( 0.000 0.000 4.125) 4.125 14.166 ( 0.000 0.000 -12.483) 12.483 14.166 ( 0.000 0.000 12.483) 12.483 14.887 ( 0.000 0.000 -2.850) 2.850 14.887 ( 0.000 0.000 2.850) 2.850 ======================= Grid point 380 (122/140) ======================= q-point: ( 0.12 0.00 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( -8.393 0.000 -11.252) 14.038 2.753 ( -8.393 0.000 11.252) 14.038 2.840 ( 1.294 0.000 -15.622) 15.675 2.840 ( 1.294 0.000 15.622) 15.675 3.743 ( -3.988 0.000 -6.171) 7.348 3.743 ( -3.988 0.000 6.171) 7.348 4.045 ( 2.362 0.000 -4.625) 5.193 4.045 ( 2.362 0.000 4.625) 5.193 4.413 ( 7.165 0.000 -10.712) 12.888 4.413 ( 7.165 0.000 10.712) 12.888 5.128 ( -0.430 0.000 -12.610) 12.617 5.128 ( -0.430 0.000 12.610) 12.617 5.263 ( 3.582 0.000 -3.612) 5.087 5.263 ( 3.582 0.000 3.612) 5.087 5.693 ( 2.534 0.000 -1.716) 3.061 5.693 ( 2.534 0.000 1.716) 3.061 5.843 ( -0.505 0.000 -22.803) 22.808 5.843 ( -0.505 0.000 22.803) 22.808 6.536 ( -3.358 0.000 -3.127) 4.588 6.536 ( -3.358 0.000 3.127) 4.588 6.592 ( -3.164 0.000 -1.871) 3.676 6.592 ( -3.164 0.000 1.871) 3.676 7.723 ( -5.714 0.000 -7.938) 9.781 7.723 ( -5.714 0.000 7.938) 9.781 7.741 ( -9.945 0.000 -11.366) 15.103 7.741 ( -9.945 0.000 11.366) 15.103 8.385 ( 10.854 0.000 -10.887) 15.373 8.385 ( 10.854 0.000 10.887) 15.374 8.582 ( 8.820 0.000 -1.646) 8.972 8.582 ( 8.820 0.000 1.646) 8.972 9.430 ( 1.134 0.000 -2.667) 2.898 9.430 ( 1.134 0.000 2.667) 2.898 9.776 ( 0.935 0.000 -2.186) 2.377 9.776 ( 0.935 0.000 2.186) 2.377 10.267 ( -5.661 0.000 -4.500) 7.232 10.267 ( -5.661 0.000 4.500) 7.232 10.546 ( 1.711 0.000 -5.936) 6.178 10.546 ( 1.711 0.000 5.936) 6.178 10.986 ( -1.794 0.000 -5.185) 5.487 10.986 ( -1.794 0.000 5.185) 5.487 12.016 ( 1.389 0.000 -8.529) 8.641 12.016 ( 1.389 0.000 8.529) 8.641 12.280 ( -0.561 0.000 -3.887) 3.927 12.280 ( -0.561 0.000 3.887) 3.927 14.192 ( 2.551 0.000 -11.882) 12.153 14.192 ( 2.551 0.000 11.882) 12.153 14.856 ( -3.047 0.000 -3.273) 4.472 14.856 ( -3.047 0.000 3.273) 4.472 ======================= Grid point 382 (123/140) ======================= q-point: ( 0.25 0.00 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( -5.808 0.000 -12.789) 14.046 2.601 ( -5.808 0.000 12.789) 14.046 2.871 ( 1.710 0.000 -12.091) 12.211 2.871 ( 1.710 0.000 12.091) 12.211 3.546 ( -14.924 0.000 -6.257) 16.182 3.546 ( -14.924 0.000 6.257) 16.182 4.107 ( 3.739 0.000 -6.082) 7.139 4.107 ( 3.739 0.000 6.082) 7.139 4.649 ( 15.482 0.000 -5.385) 16.392 4.649 ( 15.482 0.000 5.385) 16.392 5.117 ( -0.707 0.000 -9.569) 9.595 5.117 ( -0.707 0.000 9.569) 9.595 5.349 ( 4.250 0.000 -1.710) 4.581 5.349 ( 4.250 0.000 1.710) 4.581 5.754 ( 3.804 0.000 -4.496) 5.889 5.754 ( 3.804 0.000 4.496) 5.889 5.822 ( -1.771 0.000 -20.088) 20.166 5.822 ( -1.771 0.000 20.088) 20.166 6.467 ( -3.092 0.000 -1.384) 3.388 6.467 ( -3.092 0.000 1.384) 3.388 6.482 ( -8.124 0.000 -3.802) 8.969 6.482 ( -8.124 0.000 3.802) 8.969 7.598 ( -6.470 0.000 -6.630) 9.264 7.598 ( -6.470 0.000 6.630) 9.264 7.611 ( -2.834 0.000 -9.979) 10.374 7.611 ( -2.834 0.000 9.979) 10.374 8.546 ( 4.949 0.000 -7.262) 8.788 8.546 ( 4.949 0.000 7.262) 8.788 8.777 ( 10.082 0.000 -3.446) 10.654 8.777 ( 10.082 0.000 3.446) 10.654 9.462 ( 2.033 0.000 -1.594) 2.583 9.462 ( 2.033 0.000 1.594) 2.583 9.802 ( 1.723 0.000 -3.370) 3.785 9.802 ( 1.723 0.000 3.370) 3.785 10.153 ( -5.349 0.000 -2.648) 5.968 10.153 ( -5.349 0.000 2.648) 5.968 10.571 ( 0.744 0.000 -5.528) 5.578 10.571 ( 0.744 0.000 5.528) 5.578 10.938 ( -2.998 0.000 -4.317) 5.256 10.938 ( -2.998 0.000 4.317) 5.256 12.050 ( 1.880 0.000 -6.561) 6.825 12.050 ( 1.880 0.000 6.561) 6.825 12.267 ( -0.771 0.000 -3.110) 3.204 12.267 ( -0.771 0.000 3.110) 3.204 14.260 ( 4.268 0.000 -10.332) 11.179 14.260 ( 4.268 0.000 10.332) 11.179 14.774 ( -5.112 0.000 -4.200) 6.616 14.774 ( -5.112 0.000 4.200) 6.616 ======================= Grid point 384 (124/140) ======================= q-point: ( 0.38 0.00 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 1.129 0.000 -10.791) 10.850 2.556 ( 1.129 0.000 10.791) 10.850 2.900 ( 1.129 0.000 -6.601) 6.696 2.900 ( 1.129 0.000 6.601) 6.696 3.233 ( -15.206 0.000 -6.905) 16.701 3.233 ( -15.206 0.000 6.905) 16.701 4.177 ( 2.998 0.000 -4.583) 5.476 4.177 ( 2.998 0.000 4.583) 5.476 4.958 ( 15.170 0.000 -2.644) 15.398 4.958 ( 15.170 0.000 2.644) 15.398 5.103 ( -0.613 0.000 -5.118) 5.155 5.103 ( -0.613 0.000 5.118) 5.155 5.377 ( -2.460 0.000 -1.169) 2.724 5.377 ( -2.460 0.000 1.169) 2.724 5.780 ( -2.127 0.000 -12.241) 12.425 5.780 ( -2.127 0.000 12.241) 12.425 5.857 ( 6.940 0.000 -7.374) 10.127 5.857 ( 6.940 0.000 7.374) 10.127 6.295 ( -10.098 0.000 -5.739) 11.615 6.295 ( -10.098 0.000 5.739) 11.615 6.428 ( -0.944 0.000 -0.095) 0.949 6.428 ( -0.944 0.000 0.095) 0.949 7.489 ( -4.251 0.000 -4.174) 5.957 7.489 ( -4.251 0.000 4.174) 5.957 7.611 ( 1.744 0.000 -5.455) 5.727 7.611 ( 1.744 0.000 5.455) 5.727 8.583 ( -0.282 0.000 -3.849) 3.859 8.583 ( -0.282 0.000 3.849) 3.859 8.942 ( 6.212 0.000 -2.786) 6.808 8.942 ( 6.212 0.000 2.786) 6.808 9.499 ( 1.458 0.000 -0.787) 1.656 9.499 ( 1.458 0.000 0.787) 1.656 9.838 ( 1.691 0.000 -2.651) 3.144 9.838 ( 1.691 0.000 2.651) 3.144 10.076 ( -2.406 0.000 -1.197) 2.688 10.076 ( -2.406 0.000 1.197) 2.688 10.578 ( 0.086 0.000 -3.077) 3.078 10.578 ( 0.086 0.000 3.077) 3.078 10.880 ( -2.570 0.000 -2.567) 3.633 10.880 ( -2.570 0.000 2.567) 3.633 12.082 ( 1.282 0.000 -3.587) 3.809 12.082 ( 1.282 0.000 3.587) 3.809 12.253 ( -0.528 0.000 -1.752) 1.830 12.253 ( -0.528 0.000 1.752) 1.830 14.349 ( 4.555 0.000 -7.731) 8.973 14.349 ( 4.555 0.000 7.731) 8.973 14.669 ( -5.242 0.000 -4.615) 6.984 14.669 ( -5.242 0.000 4.615) 6.984 ======================= Grid point 386 (125/140) ======================= q-point: (-0.50 0.00 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( -0.000 0.000 0.000) 0.000 2.592 ( 0.000 0.000 0.000) 0.000 2.911 ( -0.000 0.000 0.000) 0.000 2.911 ( 0.000 0.000 0.000) 0.000 3.054 ( -0.000 0.000 0.000) 0.000 3.054 ( 0.000 0.000 0.000) 0.000 4.209 ( 0.000 0.000 0.000) 0.000 4.209 ( -0.000 0.000 0.000) 0.000 5.096 ( 0.000 0.000 0.000) 0.000 5.096 ( 0.000 0.000 0.000) 0.000 5.175 ( -0.000 0.000 0.000) 0.000 5.175 ( 0.000 0.000 0.000) 0.000 5.285 ( -0.000 0.000 0.000) 0.000 5.285 ( 0.000 0.000 0.000) 0.000 5.756 ( 0.000 0.000 0.000) 0.000 5.756 ( 0.000 0.000 0.000) 0.000 5.970 ( -0.000 0.000 0.000) 0.000 5.970 ( 0.000 0.000 0.000) 0.000 6.154 ( 0.000 0.000 -0.000) 0.000 6.154 ( -0.000 0.000 0.000) 0.000 6.421 ( 0.000 0.000 0.000) 0.000 6.421 ( -0.000 0.000 0.000) 0.000 7.446 ( -0.000 0.000 0.000) 0.000 7.446 ( -0.000 0.000 0.000) 0.000 7.636 ( 0.000 0.000 0.000) 0.000 7.636 ( 0.000 0.000 0.000) 0.000 8.573 ( 0.000 0.000 0.000) 0.000 8.573 ( 0.000 0.000 0.000) 0.000 9.004 ( 0.000 0.000 0.000) 0.000 9.004 ( 0.000 0.000 0.000) 0.000 9.513 ( 0.000 0.000 0.000) 0.000 9.513 ( 0.000 0.000 0.000) 0.000 9.856 ( 0.000 0.000 0.000) 0.000 9.856 ( 0.000 0.000 0.000) 0.000 10.055 ( 0.000 0.000 0.000) 0.000 10.055 ( -0.000 0.000 0.000) 0.000 10.578 ( 0.000 0.000 0.000) 0.000 10.578 ( 0.000 0.000 0.000) 0.000 10.852 ( 0.000 0.000 0.000) 0.000 10.852 ( -0.000 0.000 0.000) 0.000 12.095 ( 0.000 0.000 0.000) 0.000 12.095 ( 0.000 0.000 0.000) 0.000 12.248 ( 0.000 0.000 0.000) 0.000 12.248 ( 0.000 0.000 0.000) 0.000 14.407 ( 0.000 0.000 0.000) 0.000 14.407 ( 0.000 0.000 0.000) 0.000 14.604 ( -0.000 0.000 0.000) 0.000 14.604 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 396 (126/140) ======================= q-point: ( 0.00 0.14 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( 0.000 -6.930 -1.708) 7.137 2.674 ( 0.000 -6.930 1.708) 7.137 3.015 ( 0.000 8.016 -5.382) 9.655 3.015 ( 0.000 8.016 5.382) 9.655 3.768 ( 0.000 1.368 -6.740) 6.877 3.768 ( 0.000 1.368 6.740) 6.877 4.119 ( 0.000 8.156 -6.542) 10.455 4.119 ( 0.000 8.156 6.542) 10.455 4.345 ( 0.000 -0.769 -13.110) 13.133 4.345 ( 0.000 -0.769 13.110) 13.133 4.966 ( 0.000 -9.920 -14.902) 17.902 4.966 ( 0.000 -9.920 14.902) 17.902 5.330 ( 0.000 4.102 -3.965) 5.705 5.330 ( 0.000 4.102 3.965) 5.705 5.652 ( 0.000 -1.386 -1.442) 2.000 5.652 ( 0.000 -1.386 1.442) 2.000 5.852 ( 0.000 0.401 -21.343) 21.347 5.852 ( 0.000 0.401 21.343) 21.347 6.372 ( 0.000 -9.209 -1.334) 9.305 6.372 ( 0.000 -9.209 1.334) 9.305 6.840 ( 0.000 11.111 -4.127) 11.853 6.840 ( 0.000 11.111 4.127) 11.853 7.625 ( 0.000 -10.897 -2.404) 11.160 7.625 ( 0.000 -10.897 2.404) 11.160 7.963 ( 0.000 2.523 -1.131) 2.765 7.963 ( 0.000 2.523 1.131) 2.765 8.186 ( 0.000 -1.975 -10.435) 10.620 8.186 ( 0.000 -1.975 10.435) 10.620 8.580 ( 0.000 7.108 -2.044) 7.396 8.580 ( 0.000 7.108 2.044) 7.396 9.331 ( 0.000 -6.407 -4.455) 7.804 9.331 ( 0.000 -6.407 4.455) 7.804 9.808 ( 0.000 2.638 -1.082) 2.851 9.808 ( 0.000 2.638 1.082) 2.851 10.302 ( 0.000 -3.569 -0.716) 3.640 10.302 ( 0.000 -3.569 0.716) 3.640 10.542 ( 0.000 3.080 -2.163) 3.764 10.542 ( 0.000 3.080 2.163) 3.764 11.100 ( 0.000 7.396 -4.783) 8.808 11.100 ( 0.000 7.396 4.783) 8.808 11.925 ( 0.000 -3.414 -8.399) 9.066 11.925 ( 0.000 -3.414 8.399) 9.066 12.435 ( 0.000 10.186 -4.643) 11.194 12.435 ( 0.000 10.186 4.643) 11.194 14.117 ( 0.000 -4.160 -11.536) 12.263 14.117 ( 0.000 -4.160 11.536) 12.263 14.852 ( 0.000 -3.261 -2.968) 4.410 14.852 ( 0.000 -3.261 2.968) 4.410 ======================= Grid point 398 (127/140) ======================= q-point: ( 0.12 0.14 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( -3.962 -5.962 -6.538) 9.695 2.632 ( -3.962 -5.962 6.538) 9.695 2.991 ( -1.481 8.824 -10.580) 13.856 2.991 ( -1.481 8.824 10.580) 13.856 3.745 ( -4.680 0.099 -5.539) 7.252 3.745 ( -4.680 0.099 5.539) 7.252 4.098 ( -0.450 4.457 -4.240) 6.168 4.098 ( -0.450 4.457 4.240) 6.168 4.443 ( 9.473 2.767 -10.384) 14.325 4.443 ( 9.473 2.767 10.384) 14.325 4.959 ( -0.510 -10.358 -13.001) 16.631 4.959 ( -0.510 -10.358 13.001) 16.631 5.364 ( 3.470 4.424 -2.903) 6.328 5.364 ( 3.470 4.424 2.903) 6.328 5.663 ( 0.642 -2.895 -3.790) 4.812 5.663 ( 0.642 -2.895 3.790) 4.812 5.858 ( 0.665 1.166 -19.109) 19.156 5.858 ( 0.665 1.166 19.109) 19.156 6.365 ( -0.856 -8.025 -1.553) 8.219 6.365 ( -0.856 -8.025 1.553) 8.219 6.776 ( -6.320 9.331 -4.231) 12.038 6.776 ( -6.320 9.331 4.231) 12.038 7.568 ( -4.434 -8.887 -1.905) 10.113 7.568 ( -4.434 -8.887 1.905) 10.113 7.836 ( -8.135 3.914 -6.725) 11.257 7.836 ( -8.135 3.914 6.725) 11.257 8.349 ( 11.096 -2.493 -7.363) 13.548 8.349 ( 11.096 -2.493 7.363) 13.548 8.660 ( 7.185 5.892 -1.937) 9.492 8.660 ( 7.185 5.892 1.937) 9.492 9.337 ( 0.623 -6.893 -3.619) 7.810 9.337 ( 0.623 -6.893 3.619) 7.810 9.815 ( 0.804 2.510 -0.903) 2.786 9.815 ( 0.804 2.510 0.903) 2.786 10.264 ( -3.498 -1.314 -2.509) 4.501 10.264 ( -3.498 -1.314 2.509) 4.501 10.535 ( -0.744 0.612 -5.574) 5.657 10.535 ( -0.744 0.612 5.574) 5.657 11.067 ( -3.260 5.896 -4.151) 7.913 11.067 ( -3.260 5.896 4.151) 7.913 11.962 ( 3.555 -1.530 -7.369) 8.323 11.962 ( 3.555 -1.530 7.369) 8.323 12.434 ( -0.261 10.748 -4.716) 11.740 12.434 ( -0.261 10.748 4.716) 11.740 14.140 ( 2.288 -4.471 -11.082) 12.167 14.140 ( 2.288 -4.471 11.082) 12.167 14.820 ( -3.206 -3.411 -3.368) 5.767 14.820 ( -3.206 -3.411 3.368) 5.767 ======================= Grid point 400 (128/140) ======================= q-point: ( 0.25 0.14 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( -2.940 -2.823 -9.891) 10.698 2.553 ( -2.940 -2.823 9.891) 10.698 2.977 ( -0.086 8.155 -11.091) 13.767 2.977 ( -0.086 8.155 11.091) 13.767 3.545 ( -14.548 -0.008 -5.709) 15.628 3.545 ( -14.548 -0.008 5.709) 15.628 4.136 ( 3.710 2.959 -4.221) 6.351 4.136 ( 3.710 2.959 4.221) 6.351 4.670 ( 12.015 -0.518 -5.381) 13.175 4.670 ( 12.015 -0.518 5.381) 13.175 4.963 ( 1.704 -8.039 -9.613) 12.647 4.963 ( 1.704 -8.039 9.614) 12.647 5.452 ( 4.590 5.294 -2.111) 7.318 5.452 ( 4.590 5.294 2.111) 7.318 5.662 ( -0.749 -6.564 -8.710) 10.932 5.662 ( -0.749 -6.564 8.710) 10.932 5.879 ( 1.531 3.089 -13.492) 13.925 5.879 ( 1.531 3.089 13.492) 13.925 6.333 ( -2.656 -5.699 -1.309) 6.422 6.333 ( -2.656 -5.699 1.309) 6.422 6.620 ( -8.427 6.557 -4.377) 11.540 6.620 ( -8.427 6.557 4.377) 11.540 7.487 ( -4.023 -6.337 -2.982) 8.077 7.487 ( -4.023 -6.337 2.982) 8.077 7.716 ( -3.269 5.893 -3.360) 7.531 7.716 ( -3.269 5.893 3.360) 7.531 8.525 ( 5.906 -1.853 -5.800) 8.483 8.525 ( 5.906 -1.853 5.800) 8.483 8.817 ( 8.184 3.434 -2.232) 9.151 8.817 ( 8.184 3.434 2.232) 9.151 9.360 ( 1.813 -7.712 -1.725) 8.108 9.360 ( 1.813 -7.712 1.725) 8.108 9.838 ( 1.463 2.107 -0.802) 2.688 9.838 ( 1.463 2.107 0.802) 2.688 10.188 ( -3.576 2.424 -1.776) 4.671 10.188 ( -3.576 2.424 1.776) 4.671 10.512 ( -1.549 -3.671 -5.994) 7.198 10.512 ( -1.549 -3.671 5.994) 7.198 10.983 ( -4.927 2.797 -2.798) 6.319 10.983 ( -4.927 2.797 2.798) 6.319 12.054 ( 5.650 2.799 -5.340) 8.262 12.054 ( 5.650 2.799 5.340) 8.262 12.419 ( -1.393 11.548 -4.750) 12.564 12.419 ( -1.393 11.548 4.750) 12.564 14.203 ( 4.035 -5.065 -9.841) 11.780 14.203 ( 4.035 -5.065 9.841) 11.780 14.734 ( -5.387 -3.825 -4.251) 7.857 14.734 ( -5.387 -3.825 4.251) 7.857 ======================= Grid point 402 (129/140) ======================= q-point: ( 0.38 0.14 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 2.977 0.113 -9.061) 9.538 2.552 ( 2.977 0.113 9.061) 9.538 2.967 ( -1.906 5.400 -5.873) 8.202 2.967 ( -1.906 5.400 5.873) 8.202 3.252 ( -13.119 2.057 -6.501) 14.785 3.252 ( -13.119 2.057 6.501) 14.785 4.211 ( 3.323 3.474 -4.006) 6.258 4.211 ( 3.323 3.474 4.006) 6.258 4.821 ( 2.798 -14.788 -1.862) 15.165 4.821 ( 2.798 -14.788 1.862) 15.165 5.081 ( 10.214 3.480 -4.956) 11.875 5.081 ( 10.214 3.480 4.956) 11.875 5.480 ( -2.755 4.407 -1.819) 5.506 5.480 ( -2.755 4.407 1.819) 5.506 5.654 ( 0.240 -7.244 -8.795) 11.397 5.654 ( 0.240 -7.244 8.795) 11.397 5.932 ( 4.416 3.686 -8.860) 10.564 5.932 ( 4.416 3.686 8.860) 10.564 6.243 ( -6.588 -3.283 -2.343) 7.724 6.243 ( -6.588 -3.283 2.343) 7.724 6.501 ( -3.213 5.496 -2.344) 6.784 6.501 ( -3.213 5.496 2.344) 6.784 7.405 ( -3.840 -6.092 -2.985) 7.795 7.405 ( -3.840 -6.092 2.985) 7.795 7.712 ( 1.853 7.546 -1.463) 7.906 7.712 ( 1.853 7.546 1.463) 7.906 8.573 ( -0.207 -1.185 -3.561) 3.758 8.573 ( -0.207 -1.185 3.561) 3.758 8.955 ( 5.367 1.276 -2.227) 5.949 8.955 ( 5.367 1.276 2.227) 5.949 9.400 ( 1.876 -7.429 -0.863) 7.710 9.400 ( 1.876 -7.429 0.863) 7.710 9.867 ( 1.318 1.316 -0.577) 1.950 9.867 ( 1.318 1.316 0.577) 1.950 10.143 ( -0.967 5.768 -0.397) 5.862 10.143 ( -0.967 5.768 0.397) 5.862 10.477 ( -1.814 -7.537 -3.589) 8.542 10.477 ( -1.814 -7.537 3.589) 8.542 10.893 ( -3.832 0.136 -1.325) 4.057 10.893 ( -3.832 0.136 1.325) 4.057 12.170 ( 5.886 7.825 -3.864) 10.526 12.170 ( 5.886 7.825 3.864) 10.526 12.375 ( -3.094 10.858 -4.359) 12.102 12.375 ( -3.094 10.858 4.359) 12.102 14.290 ( 4.535 -5.378 -7.510) 10.290 14.290 ( 4.535 -5.378 7.510) 10.290 14.623 ( -5.526 -4.377 -4.621) 8.429 14.623 ( -5.526 -4.377 4.621) 8.429 ======================= Grid point 404 (130/140) ======================= q-point: (-0.50 0.14 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( -0.000 2.147 0.000) 2.147 2.614 ( 0.000 2.147 0.000) 2.147 2.909 ( -0.000 0.181 0.000) 0.181 2.909 ( 0.000 0.181 0.000) 0.181 3.124 ( -0.000 6.072 0.000) 6.072 3.124 ( 0.000 6.072 0.000) 6.072 4.246 ( -0.000 3.881 0.000) 3.881 4.246 ( -0.000 3.881 0.000) 3.881 4.839 ( 0.000 -17.734 0.000) 17.734 4.839 ( 0.000 -17.734 0.000) 17.734 5.236 ( -0.000 5.474 -0.000) 5.474 5.236 ( 0.000 5.474 0.000) 5.474 5.404 ( -0.000 2.754 0.000) 2.754 5.404 ( 0.000 2.754 0.000) 2.754 5.656 ( 0.000 -5.830 0.000) 5.830 5.656 ( 0.000 -5.830 0.000) 5.830 6.017 ( -0.000 2.884 0.000) 2.884 6.017 ( 0.000 2.884 0.000) 2.884 6.137 ( -0.000 -1.435 -0.000) 1.435 6.137 ( -0.000 -1.435 0.000) 1.435 6.475 ( -0.000 4.969 -0.000) 4.969 6.475 ( -0.000 4.969 0.000) 4.969 7.364 ( 0.000 -6.280 0.000) 6.280 7.364 ( 0.000 -6.280 0.000) 6.280 7.739 ( 0.000 8.141 0.000) 8.141 7.739 ( 0.000 8.141 0.000) 8.141 8.562 ( 0.000 -1.303 -0.000) 1.303 8.562 ( 0.000 -1.303 0.000) 1.303 9.010 ( -0.000 0.593 0.000) 0.593 9.010 ( -0.000 0.593 0.000) 0.593 9.420 ( -0.000 -6.915 0.000) 6.915 9.420 ( 0.000 -6.915 0.000) 6.915 9.881 ( 0.000 0.758 0.000) 0.758 9.881 ( 0.000 0.758 0.000) 0.758 10.138 ( 0.000 7.771 0.000) 7.771 10.138 ( 0.000 7.771 0.000) 7.771 10.456 ( 0.000 -9.693 0.000) 9.693 10.456 ( -0.000 -9.693 0.000) 9.693 10.852 ( 0.000 -0.886 0.000) 0.886 10.852 ( -0.000 -0.886 0.000) 0.886 12.255 ( -0.000 13.684 0.000) 13.684 12.255 ( 0.000 13.684 0.000) 13.684 12.319 ( 0.000 6.616 -0.000) 6.616 12.319 ( -0.000 6.616 0.000) 6.616 14.348 ( 0.000 -5.354 0.000) 5.354 14.348 ( -0.000 -5.354 0.000) 5.354 14.554 ( -0.000 -4.720 0.000) 4.720 14.554 ( 0.000 -4.720 0.000) 4.720 ======================= Grid point 414 (131/140) ======================= q-point: ( 0.00 0.29 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 0.000 -3.335 -1.604) 3.701 2.565 ( 0.000 -3.335 1.604) 3.701 3.165 ( 0.000 6.047 -7.797) 9.867 3.165 ( 0.000 6.047 7.797) 9.867 3.785 ( 0.000 -0.151 -8.999) 9.001 3.785 ( 0.000 -0.151 8.999) 9.001 4.292 ( 0.000 6.716 -5.727) 8.826 4.292 ( 0.000 6.716 5.727) 8.826 4.365 ( 0.000 2.662 -8.554) 8.959 4.365 ( 0.000 2.662 8.554) 8.959 4.797 ( 0.000 -4.421 -14.689) 15.340 4.797 ( 0.000 -4.421 14.689) 15.340 5.352 ( 0.000 -2.393 -2.777) 3.666 5.352 ( 0.000 -2.393 2.777) 3.666 5.608 ( 0.000 -2.367 -3.463) 4.195 5.608 ( 0.000 -2.367 3.463) 4.195 5.856 ( 0.000 -0.213 -14.425) 14.427 5.856 ( 0.000 -0.213 14.425) 14.427 6.225 ( 0.000 -4.693 -3.217) 5.690 6.225 ( 0.000 -4.694 3.217) 5.690 7.040 ( 0.000 7.657 -4.041) 8.658 7.040 ( 0.000 7.657 4.041) 8.658 7.402 ( 0.000 -9.513 -1.548) 9.638 7.402 ( 0.000 -9.513 1.548) 9.638 7.996 ( 0.000 1.345 -4.774) 4.960 7.996 ( 0.000 1.345 4.774) 4.960 8.155 ( 0.000 -1.274 -5.184) 5.339 8.155 ( 0.000 -1.274 5.184) 5.339 8.718 ( 0.000 5.282 -3.460) 6.314 8.718 ( 0.000 5.282 3.460) 6.314 9.214 ( 0.000 -4.199 -6.318) 7.586 9.214 ( 0.000 -4.199 6.318) 7.586 9.843 ( 0.000 0.623 -2.493) 2.570 9.843 ( 0.000 0.623 2.493) 2.570 10.226 ( 0.000 -2.628 -5.093) 5.731 10.226 ( 0.000 -2.628 5.093) 5.731 10.633 ( 0.000 4.820 -3.692) 6.071 10.633 ( 0.000 4.820 3.692) 6.071 11.221 ( 0.000 2.535 -2.606) 3.636 11.221 ( 0.000 2.535 2.606) 3.636 11.958 ( 0.000 7.600 -9.343) 12.044 11.958 ( 0.000 7.600 9.343) 12.044 12.596 ( 0.000 3.269 -1.347) 3.536 12.596 ( 0.000 3.269 1.347) 3.535 14.032 ( 0.000 -2.854 -7.668) 8.182 14.032 ( 0.000 -2.854 7.668) 8.182 14.759 ( 0.000 -5.266 -2.925) 6.024 14.759 ( 0.000 -5.266 2.925) 6.024 ======================= Grid point 416 (132/140) ======================= q-point: ( 0.12 0.29 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -1.731 -2.348 -3.837) 4.820 2.545 ( -1.731 -2.348 3.837) 4.820 3.158 ( -0.630 6.519 -8.153) 10.458 3.158 ( -0.630 6.519 8.153) 10.458 3.743 ( -5.202 -0.006 -7.143) 8.837 3.743 ( -5.202 -0.006 7.143) 8.837 4.212 ( -2.795 5.963 -5.468) 8.560 4.212 ( -2.795 5.963 5.468) 8.560 4.471 ( 5.054 -2.593 -4.403) 7.187 4.471 ( 5.054 -2.593 4.403) 7.187 4.820 ( 3.477 -0.197 -10.846) 11.391 4.820 ( 3.477 -0.197 10.846) 11.391 5.396 ( 4.241 -1.883 -2.260) 5.161 5.396 ( 4.241 -1.883 2.260) 5.161 5.580 ( -2.726 -4.247 -5.807) 7.693 5.580 ( -2.726 -4.247 5.807) 7.693 5.877 ( 2.054 0.349 -11.734) 11.917 5.877 ( 2.054 0.349 11.734) 11.917 6.242 ( 1.313 -3.553 -3.377) 5.075 6.242 ( 1.313 -3.553 3.377) 5.075 6.941 ( -9.119 6.312 -4.497) 11.967 6.941 ( -9.119 6.312 4.497) 11.967 7.385 ( -1.367 -8.107 -0.904) 8.271 7.385 ( -1.367 -8.107 0.904) 8.271 7.916 ( -5.106 4.056 -5.744) 8.690 7.916 ( -5.106 4.056 5.744) 8.690 8.294 ( 10.283 -2.787 -3.847) 11.327 8.294 ( 10.283 -2.787 3.847) 11.327 8.777 ( 5.445 4.606 -3.503) 7.945 8.777 ( 5.445 4.606 3.503) 7.945 9.207 ( -0.574 -4.805 -5.607) 7.406 9.207 ( -0.574 -4.805 5.607) 7.406 9.848 ( 0.533 0.536 -2.233) 2.357 9.848 ( 0.533 0.536 2.233) 2.357 10.222 ( -0.381 -1.702 -4.602) 4.921 10.222 ( -0.381 -1.702 4.602) 4.921 10.585 ( -4.528 3.358 -4.436) 7.173 10.585 ( -4.528 3.358 4.436) 7.173 11.156 ( -6.001 1.744 -1.723) 6.483 11.156 ( -6.001 1.744 1.723) 6.483 12.032 ( 6.927 8.650 -8.441) 13.930 12.032 ( 6.927 8.650 8.441) 13.930 12.616 ( 1.806 4.791 -1.904) 5.462 12.616 ( 1.806 4.791 1.904) 5.462 14.043 ( 1.218 -3.603 -7.629) 8.524 14.043 ( 1.218 -3.603 7.629) 8.524 14.723 ( -3.662 -5.541 -3.254) 7.396 14.723 ( -3.662 -5.541 3.254) 7.396 ======================= Grid point 418 (133/140) ======================= q-point: ( 0.25 0.29 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( 0.131 -0.095 -5.885) 5.887 2.521 ( 0.131 -0.095 5.885) 5.887 3.141 ( -1.486 6.022 -7.104) 9.431 3.141 ( -1.486 6.022 7.104) 9.431 3.566 ( -12.055 3.157 -5.278) 13.534 3.566 ( -12.055 3.157 5.278) 13.534 4.223 ( 3.397 3.663 -3.315) 5.996 4.223 ( 3.397 3.663 3.315) 5.996 4.506 ( -0.768 -11.392 -4.915) 12.431 4.506 ( -0.768 -11.392 4.915) 12.431 4.962 ( 10.325 5.653 -6.508) 13.451 4.962 ( 10.325 5.653 6.508) 13.451 5.462 ( -1.171 -7.650 -3.068) 8.325 5.462 ( -1.171 -7.650 3.068) 8.325 5.550 ( 2.909 -0.567 -7.666) 8.219 5.550 ( 2.909 -0.567 7.666) 8.219 5.929 ( 2.991 1.625 -8.656) 9.301 5.929 ( 2.991 1.625 8.656) 9.301 6.250 ( -1.166 -2.312 -2.647) 3.703 6.250 ( -1.166 -2.312 2.647) 3.703 6.750 ( -8.815 5.981 -4.697) 11.642 6.750 ( -8.815 5.981 4.697) 11.642 7.342 ( -3.435 -7.289 -4.307) 9.137 7.342 ( -3.435 -7.289 4.307) 9.137 7.853 ( -0.521 6.994 -2.804) 7.553 7.853 ( -0.521 6.994 2.804) 7.553 8.471 ( 6.511 -3.212 -3.352) 7.996 8.471 ( 6.511 -3.212 3.352) 7.996 8.897 ( 6.033 3.616 -2.154) 7.356 8.897 ( 6.033 3.616 2.154) 7.356 9.206 ( 0.944 -6.251 -3.865) 7.410 9.206 ( 0.944 -6.251 3.865) 7.410 9.863 ( 0.916 0.318 -1.746) 1.998 9.863 ( 0.916 0.318 1.746) 1.998 10.216 ( -0.039 0.151 -3.234) 3.238 10.216 ( -0.039 0.151 3.234) 3.238 10.478 ( -5.872 0.450 -4.855) 7.632 10.478 ( -5.872 0.450 4.855) 7.632 11.014 ( -7.983 0.064 -0.623) 8.008 11.014 ( -7.983 0.064 0.623) 8.008 12.199 ( 9.489 10.553 -7.310) 15.964 12.199 ( 9.489 10.553 7.310) 15.964 12.647 ( 0.864 8.308 -3.230) 8.956 12.647 ( 0.864 8.308 3.230) 8.956 14.083 ( 2.855 -5.306 -7.402) 9.545 14.083 ( 2.855 -5.306 7.402) 9.545 14.624 ( -6.196 -6.317 -4.011) 9.715 14.624 ( -6.196 -6.317 4.011) 9.715 ======================= Grid point 420 (134/140) ======================= q-point: ( 0.38 0.29 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 5.508 2.052 -5.902) 8.330 2.575 ( 5.508 2.052 5.902) 8.330 3.058 ( -8.242 1.887 -3.852) 9.291 3.058 ( -8.242 1.887 3.852) 9.291 3.355 ( -6.982 9.024 -6.012) 12.897 3.355 ( -6.982 9.024 6.012) 12.897 4.312 ( 5.037 2.340 -6.280) 8.384 4.312 ( 5.037 2.340 6.280) 8.384 4.472 ( -2.365 -13.421 -5.686) 14.767 4.472 ( -2.365 -13.421 5.686) 14.767 5.168 ( 9.325 1.731 -3.559) 10.130 5.168 ( 9.325 1.731 3.559) 10.130 5.398 ( -2.981 -7.294 -1.984) 8.125 5.398 ( -2.981 -7.294 1.984) 8.125 5.625 ( 2.182 1.540 -4.887) 5.569 5.625 ( 2.182 1.540 4.887) 5.569 5.992 ( 3.774 2.209 -7.082) 8.323 5.992 ( 3.774 2.209 7.082) 8.323 6.188 ( -4.727 -1.981 -0.748) 5.180 6.188 ( -4.727 -1.981 0.748) 5.180 6.637 ( -2.771 7.527 -3.200) 8.636 6.637 ( -2.771 7.527 3.200) 8.636 7.258 ( -4.366 -7.882 -4.066) 9.886 7.258 ( -4.366 -7.882 4.066) 9.886 7.893 ( 3.596 9.294 -0.511) 9.978 7.893 ( 3.596 9.294 0.511) 9.978 8.524 ( -0.569 -3.618 -2.564) 4.470 8.524 ( -0.569 -3.618 2.564) 4.470 8.994 ( 3.761 2.379 -0.907) 4.542 8.994 ( 3.761 2.379 0.907) 4.542 9.248 ( 2.702 -6.553 -2.457) 7.502 9.248 ( 2.702 -6.553 2.457) 7.502 9.881 ( 0.785 0.405 -1.222) 1.508 9.881 ( 0.785 0.405 1.222) 1.508 10.225 ( 0.979 -1.819 -1.520) 2.565 10.225 ( 0.979 -1.819 1.520) 2.565 10.377 ( -4.070 1.723 -2.833) 5.249 10.377 ( -4.070 1.723 2.833) 5.249 10.868 ( -6.230 -2.263 -0.073) 6.629 10.868 ( -6.230 -2.263 0.073) 6.629 12.382 ( 8.816 11.813 -6.444) 16.087 12.382 ( 8.816 11.813 6.444) 16.087 12.634 ( -2.391 11.783 -4.555) 12.857 12.634 ( -2.391 11.783 4.555) 12.857 14.154 ( 4.188 -6.605 -6.267) 10.022 14.154 ( 4.188 -6.605 6.267) 10.022 14.495 ( -6.441 -7.431 -4.371) 10.761 14.495 ( -6.441 -7.431 4.371) 10.761 ======================= Grid point 422 (135/140) ======================= q-point: (-0.50 0.29 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( -0.000 3.960 0.000) 3.960 2.679 ( 0.000 3.960 0.000) 3.960 2.910 ( -0.000 -0.757 0.000) 0.757 2.910 ( 0.000 -0.757 0.000) 0.757 3.300 ( -0.000 11.041 0.000) 11.041 3.300 ( 0.000 11.041 0.000) 11.041 4.385 ( -0.000 9.609 -0.000) 9.609 4.385 ( -0.000 9.609 0.000) 9.609 4.429 ( 0.000 -20.965 0.000) 20.965 4.429 ( 0.000 -20.965 0.000) 20.965 5.265 ( 0.000 -13.161 -0.000) 13.161 5.265 ( 0.000 -13.161 0.000) 13.161 5.378 ( 0.000 7.440 0.000) 7.440 5.378 ( 0.000 7.440 0.000) 7.440 5.631 ( 0.000 0.862 -0.000) 0.862 5.631 ( -0.000 0.862 0.000) 0.862 6.065 ( 0.000 1.620 -0.000) 1.620 6.065 ( 0.000 1.620 0.000) 1.620 6.105 ( -0.000 -1.285 -0.000) 1.285 6.105 ( -0.000 -1.285 0.000) 1.285 6.616 ( -0.000 8.281 -0.000) 8.281 6.616 ( -0.000 8.281 0.000) 8.281 7.209 ( 0.000 -8.447 0.000) 8.447 7.209 ( 0.000 -8.447 0.000) 8.447 7.940 ( 0.000 10.686 0.000) 10.686 7.940 ( 0.000 10.686 0.000) 10.686 8.505 ( 0.000 -4.495 -0.000) 4.495 8.505 ( 0.000 -4.495 0.000) 4.495 9.033 ( 0.000 1.756 0.000) 1.756 9.033 ( -0.000 1.756 0.000) 1.756 9.279 ( -0.000 -6.123 0.000) 6.123 9.279 ( 0.000 -6.123 0.000) 6.123 9.889 ( 0.000 0.748 0.000) 0.748 9.889 ( -0.000 0.748 0.000) 0.748 10.241 ( -0.000 -10.070 0.000) 10.070 10.241 ( 0.000 -10.070 0.000) 10.070 10.333 ( -0.000 9.961 0.000) 9.961 10.333 ( -0.000 9.961 0.000) 9.961 10.801 ( 0.000 -3.945 0.000) 3.945 10.801 ( 0.000 -3.945 0.000) 3.945 12.506 ( -0.000 10.602 0.000) 10.602 12.506 ( 0.000 10.602 0.000) 10.602 12.575 ( -0.000 14.794 -0.000) 14.794 12.575 ( 0.000 14.794 0.000) 14.794 14.211 ( 0.000 -6.639 -0.000) 6.639 14.211 ( -0.000 -6.639 0.000) 6.639 14.415 ( -0.000 -8.352 0.000) 8.352 14.415 ( 0.000 -8.352 0.000) 8.352 ======================= Grid point 432 (136/140) ======================= q-point: ( 0.00 0.43 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 0.000 -0.567 -1.383) 1.495 2.528 ( 0.000 -0.567 1.383) 1.495 3.249 ( 0.000 1.856 -4.855) 5.197 3.249 ( 0.000 1.856 4.855) 5.197 3.778 ( 0.000 -0.065 -6.194) 6.194 3.778 ( 0.000 -0.065 6.194) 6.194 4.364 ( 0.000 -0.703 -1.300) 1.478 4.364 ( 0.000 -0.703 1.300) 1.478 4.400 ( 0.000 1.905 -2.804) 3.390 4.400 ( 0.000 1.905 2.804) 3.390 4.833 ( 0.000 5.426 -2.886) 6.145 4.833 ( 0.000 5.426 2.886) 6.145 5.243 ( 0.000 -6.092 -2.008) 6.414 5.243 ( 0.000 -6.092 2.008) 6.414 5.576 ( 0.000 -0.666 -2.110) 2.212 5.576 ( 0.000 -0.666 2.110) 2.212 5.844 ( 0.000 -0.594 -4.495) 4.534 5.844 ( 0.000 -0.594 4.495) 4.534 6.172 ( 0.000 -0.897 -1.164) 1.469 6.172 ( 0.000 -0.897 1.164) 1.469 7.148 ( 0.000 2.584 -1.637) 3.059 7.148 ( 0.000 2.584 1.637) 3.059 7.259 ( 0.000 -3.713 -0.677) 3.774 7.259 ( 0.000 -3.713 0.677) 3.774 8.031 ( 0.000 1.592 -2.431) 2.906 8.031 ( 0.000 1.592 2.431) 2.906 8.126 ( 0.000 -1.336 -1.563) 2.056 8.126 ( 0.000 -1.336 1.563) 2.056 8.788 ( 0.000 1.597 -2.148) 2.677 8.788 ( 0.000 1.597 2.148) 2.677 9.159 ( 0.000 -1.234 -3.656) 3.859 9.159 ( 0.000 -1.234 3.656) 3.859 9.844 ( 0.000 -0.149 -1.250) 1.259 9.844 ( 0.000 -0.149 1.250) 1.259 10.198 ( 0.000 -0.415 -2.753) 2.784 10.198 ( 0.000 -0.415 2.753) 2.784 10.717 ( 0.000 2.628 -1.708) 3.135 10.717 ( 0.000 2.628 1.708) 3.135 11.217 ( 0.000 -1.293 -0.613) 1.431 11.217 ( 0.000 -1.293 0.613) 1.431 12.200 ( 0.000 12.650 -7.960) 14.946 12.200 ( 0.000 12.650 7.960) 14.946 12.538 ( 0.000 -7.614 -4.071) 8.634 12.538 ( 0.000 -7.614 4.071) 8.634 14.017 ( 0.000 0.670 -2.008) 2.117 14.017 ( 0.000 0.670 2.008) 2.117 14.660 ( 0.000 -3.217 -1.493) 3.547 14.660 ( 0.000 -3.217 1.493) 3.547 ======================= Grid point 434 (137/140) ======================= q-point: ( 0.12 0.43 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( -0.248 -0.140 -1.633) 1.657 2.524 ( -0.248 -0.140 1.633) 1.657 3.242 ( -0.936 1.586 -4.017) 4.419 3.242 ( -0.936 1.586 4.017) 4.419 3.763 ( -1.668 1.585 -5.779) 6.220 3.763 ( -1.668 1.585 5.779) 6.221 4.270 ( -7.805 -1.813 -1.514) 8.154 4.270 ( -7.805 -1.813 1.514) 8.154 4.409 ( 0.682 0.329 -4.894) 4.953 4.409 ( 0.682 0.329 4.894) 4.953 4.920 ( 8.032 6.244 -2.909) 10.582 4.920 ( 8.032 6.244 2.909) 10.582 5.285 ( 2.730 -6.537 -1.409) 7.223 5.285 ( 2.730 -6.537 1.409) 7.223 5.527 ( -3.191 -0.889 -2.901) 4.404 5.527 ( -3.191 -0.889 2.901) 4.404 5.875 ( 2.996 -0.251 -3.560) 4.659 5.875 ( 2.996 -0.251 3.560) 4.659 6.205 ( 2.495 -0.522 -1.414) 2.915 6.205 ( 2.495 -0.522 1.414) 2.915 7.036 ( -9.490 2.659 -2.367) 10.135 7.036 ( -9.490 2.659 2.367) 10.135 7.254 ( -0.802 -3.794 -0.955) 3.994 7.254 ( -0.802 -3.794 0.955) 3.994 7.996 ( -2.444 2.852 -2.300) 4.404 7.996 ( -2.444 2.852 2.300) 4.404 8.238 ( 9.282 -2.090 -1.231) 9.593 8.238 ( 9.282 -2.090 1.231) 9.593 8.839 ( 4.773 1.383 -2.273) 5.465 8.839 ( 4.773 1.383 2.273) 5.465 9.143 ( -1.482 -1.426 -3.461) 4.026 9.143 ( -1.482 -1.426 3.461) 4.026 9.849 ( 0.445 -0.158 -1.225) 1.313 9.849 ( 0.445 -0.158 1.225) 1.313 10.205 ( 0.655 -0.179 -2.583) 2.671 10.205 ( 0.655 -0.179 2.583) 2.671 10.645 ( -6.773 1.824 -1.820) 7.247 10.645 ( -6.773 1.824 1.820) 7.247 11.154 ( -6.011 -0.839 -0.348) 6.079 11.154 ( -6.011 -0.839 0.348) 6.079 12.274 ( 6.967 11.870 -7.364) 15.610 12.274 ( 6.967 11.870 7.364) 15.610 12.592 ( 5.081 -6.108 -3.412) 8.647 12.592 ( 5.081 -6.108 3.412) 8.647 14.015 ( -0.099 0.313 -2.086) 2.112 14.015 ( -0.099 0.313 2.086) 2.112 14.618 ( -4.249 -3.431 -1.653) 5.706 14.618 ( -4.249 -3.431 1.653) 5.706 ======================= Grid point 436 (138/140) ======================= q-point: ( 0.25 0.43 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 1.952 0.775 -2.088) 2.962 2.535 ( 1.952 0.775 2.088) 2.962 3.198 ( -4.184 0.329 -2.318) 4.794 3.198 ( -4.184 0.329 2.318) 4.794 3.706 ( -4.191 8.691 -4.817) 10.784 3.706 ( -4.191 8.691 4.817) 10.784 4.108 ( -7.375 -10.992 -1.617) 13.335 4.108 ( -7.375 -10.992 1.617) 13.335 4.453 ( 4.066 3.301 -3.731) 6.430 4.453 ( 4.066 3.301 3.731) 6.430 5.096 ( 7.485 6.652 -3.902) 10.747 5.096 ( 7.485 6.652 3.902) 10.747 5.264 ( -3.078 -9.268 -3.490) 10.371 5.264 ( -3.078 -9.268 3.490) 10.371 5.549 ( 5.148 -0.105 -2.808) 5.866 5.549 ( 5.148 -0.105 2.808) 5.866 5.950 ( 4.267 0.471 -2.871) 5.165 5.950 ( 4.267 0.471 2.871) 5.165 6.225 ( -1.352 -0.465 -1.119) 1.816 6.225 ( -1.352 -0.465 1.119) 1.816 6.861 ( -6.783 3.917 -2.851) 8.335 6.861 ( -6.783 3.917 2.851) 8.335 7.208 ( -4.345 -4.564 -2.833) 6.909 7.208 ( -4.345 -4.564 2.833) 6.909 7.979 ( 1.666 4.041 -1.007) 4.486 7.979 ( 1.666 4.041 1.007) 4.486 8.404 ( 6.053 -2.457 -1.101) 6.625 8.404 ( 6.053 -2.457 1.101) 6.625 8.952 ( 6.123 1.452 -2.204) 6.668 8.952 ( 6.123 1.452 2.204) 6.668 9.116 ( -0.724 -2.246 -3.160) 3.944 9.116 ( -0.724 -2.246 3.160) 3.944 9.862 ( 1.028 -0.130 -1.215) 1.597 9.862 ( 1.028 -0.130 1.215) 1.597 10.213 ( -0.659 -0.166 -2.294) 2.393 10.213 ( -0.659 -0.166 2.294) 2.393 10.500 ( -6.365 0.901 -1.640) 6.635 10.500 ( -6.365 0.901 1.640) 6.635 11.002 ( -9.087 -0.626 -0.150) 9.110 11.002 ( -9.087 -0.626 0.150) 9.110 12.442 ( 9.511 10.502 -6.168) 15.453 12.442 ( 9.511 10.502 6.168) 15.453 12.705 ( 5.665 -2.515 -1.702) 6.428 12.705 ( 5.665 -2.515 1.702) 6.428 14.021 ( 0.946 -0.676 -2.357) 2.628 14.021 ( 0.946 -0.676 2.357) 2.628 14.502 ( -7.309 -4.074 -2.060) 8.618 14.502 ( -7.309 -4.074 2.060) 8.618 ======================= Grid point 438 (139/140) ======================= q-point: ( 0.38 0.43 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 7.066 1.632 -2.225) 7.586 2.620 ( 7.066 1.632 2.225) 7.586 3.055 ( -10.391 -0.903 -1.563) 10.546 3.055 ( -10.391 -0.903 1.563) 10.546 3.624 ( -3.289 15.719 -3.329) 16.401 3.624 ( -3.289 15.719 3.329) 16.401 4.012 ( -2.632 -18.807 -0.877) 19.011 4.012 ( -2.632 -18.807 0.877) 19.011 4.559 ( 6.079 8.149 -1.702) 10.308 4.559 ( 6.079 8.149 1.702) 10.308 5.050 ( -7.373 -8.419 -0.578) 11.206 5.050 ( -7.373 -8.419 0.578) 11.206 5.374 ( 10.244 1.847 -1.168) 10.475 5.374 ( 10.244 1.847 1.168) 10.475 5.636 ( 1.904 -0.153 -2.205) 2.918 5.636 ( 1.904 -0.153 2.205) 2.918 6.027 ( 3.476 1.049 -2.959) 4.684 6.027 ( 3.476 1.049 2.959) 4.684 6.157 ( -4.439 -0.911 -0.617) 4.574 6.157 ( -4.439 -0.911 0.617) 4.573 6.797 ( -0.224 6.623 -2.688) 7.151 6.797 ( -0.224 6.623 2.688) 7.151 7.095 ( -6.297 -6.614 -3.114) 9.648 7.095 ( -6.297 -6.614 3.114) 9.648 8.067 ( 6.628 6.031 -0.135) 8.963 8.067 ( 6.628 6.031 0.135) 8.963 8.435 ( -2.791 -3.883 -1.045) 4.895 8.435 ( -2.791 -3.883 1.045) 4.895 9.050 ( 3.514 2.862 -1.269) 4.706 9.050 ( 3.514 2.862 1.269) 4.706 9.136 ( 2.455 -4.123 -2.523) 5.422 9.136 ( 2.455 -4.123 2.523) 5.422 9.894 ( 2.326 0.688 -1.291) 2.748 9.894 ( 2.326 0.688 1.291) 2.748 10.142 ( -6.057 -3.127 -2.133) 7.142 10.142 ( -6.057 -3.127 2.133) 7.142 10.465 ( 2.802 3.424 -0.547) 4.458 10.465 ( 2.802 3.424 0.547) 4.458 10.817 ( -9.348 -1.928 -0.280) 9.549 10.817 ( -9.348 -1.928 0.280) 9.549 12.619 ( 8.045 9.117 -4.632) 13.011 12.619 ( 8.045 9.117 4.632) 13.011 12.783 ( 1.822 1.578 -0.762) 2.528 12.783 ( 1.822 1.578 0.762) 2.528 14.063 ( 3.523 -1.580 -2.663) 4.690 14.063 ( 3.523 -1.580 2.663) 4.690 14.347 ( -8.103 -5.246 -2.461) 9.962 14.347 ( -8.103 -5.246 2.461) 9.962 ======================= Grid point 440 (140/140) ======================= q-point: (-0.50 0.43 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -0.000 4.745 0.000) 4.745 2.772 ( 0.000 4.745 0.000) 4.745 2.863 ( -0.000 -3.611 0.000) 3.611 2.863 ( 0.000 -3.611 0.000) 3.611 3.593 ( -0.000 16.914 0.000) 16.914 3.593 ( 0.000 16.914 0.000) 16.914 3.989 ( 0.000 -20.638 0.000) 20.638 3.989 ( 0.000 -20.638 0.000) 20.638 4.638 ( -0.000 14.203 0.000) 14.203 4.638 ( -0.000 14.203 0.000) 14.203 4.955 ( 0.000 -15.642 0.000) 15.642 4.955 ( 0.000 -15.642 0.000) 15.642 5.522 ( -0.000 5.971 -0.000) 5.971 5.522 ( 0.000 5.971 0.000) 5.971 5.615 ( -0.000 -2.696 0.000) 2.696 5.615 ( 0.000 -2.696 0.000) 2.696 6.084 ( 0.000 0.362 -0.000) 0.362 6.084 ( 0.000 0.362 0.000) 0.362 6.089 ( -0.000 -0.347 -0.000) 0.347 6.089 ( -0.000 -0.347 0.000) 0.347 6.809 ( -0.000 9.932 -0.000) 9.932 6.809 ( 0.000 9.932 0.000) 9.932 7.017 ( -0.000 -9.772 0.000) 9.772 7.017 ( 0.000 -9.772 0.000) 9.772 8.167 ( -0.000 10.706 0.000) 10.706 8.167 ( 0.000 10.706 0.000) 10.706 8.370 ( -0.000 -8.374 -0.000) 8.374 8.370 ( 0.000 -8.374 0.000) 8.374 9.085 ( 0.000 3.263 0.000) 3.263 9.085 ( -0.000 3.263 0.000) 3.263 9.168 ( -0.000 -4.612 0.000) 4.612 9.168 ( 0.000 -4.612 0.000) 4.612 9.935 ( 0.000 3.921 -0.000) 3.921 9.935 ( 0.000 3.921 0.000) 3.921 10.055 ( -0.000 -7.489 0.000) 7.489 10.055 ( -0.000 -7.489 0.000) 7.489 10.531 ( -0.000 8.736 0.000) 8.736 10.531 ( -0.000 8.736 0.000) 8.736 10.691 ( 0.000 -6.554 0.000) 6.554 10.691 ( 0.000 -6.554 0.000) 6.554 12.719 ( -0.000 8.380 0.000) 8.380 12.719 ( 0.000 8.380 0.000) 8.380 12.783 ( -0.000 3.570 0.000) 3.570 12.783 ( 0.000 3.570 0.000) 3.570 14.131 ( -0.000 0.330 0.000) 0.330 14.131 ( 0.000 0.330 -0.000) 0.330 14.232 ( -0.000 -8.160 0.000) 8.160 14.232 ( 0.000 -8.160 0.000) 8.160 =================== 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 3/32256 10.0 5930.444 8981.764 8357.270 0.000 0.000 0.000 3/32256 20.0 879.667 1000.203 759.354 0.000 0.000 0.000 3/32256 30.0 285.450 307.618 214.489 0.000 0.000 0.000 3/32256 40.0 132.056 141.425 96.967 0.000 0.000 0.000 3/32256 50.0 75.571 81.205 55.793 0.000 0.000 0.000 3/32256 60.0 49.496 53.299 36.935 0.000 0.000 0.000 3/32256 70.0 35.466 38.166 26.721 0.000 0.000 0.000 3/32256 80.0 27.059 29.044 20.540 0.000 0.000 0.000 3/32256 90.0 21.610 23.114 16.494 0.000 0.000 0.000 3/32256 100.0 17.863 19.034 13.690 0.000 0.000 0.000 3/32256 110.0 15.164 16.100 11.657 0.000 0.000 0.000 3/32256 120.0 13.146 13.912 10.129 0.000 0.000 0.000 3/32256 130.0 11.590 12.230 8.947 0.000 0.000 0.000 3/32256 140.0 10.359 10.906 8.009 0.000 0.000 0.000 3/32256 150.0 9.364 9.839 7.249 0.000 0.000 0.000 3/32256 160.0 8.544 8.964 6.622 0.000 0.000 0.000 3/32256 170.0 7.859 8.234 6.097 0.000 0.000 0.000 3/32256 180.0 7.277 7.617 5.650 0.000 0.000 0.000 3/32256 190.0 6.778 7.089 5.267 0.000 0.000 0.000 3/32256 200.0 6.345 6.632 4.933 0.000 0.000 0.000 3/32256 210.0 5.965 6.233 4.641 0.000 0.000 0.000 3/32256 220.0 5.630 5.880 4.383 0.000 0.000 0.000 3/32256 230.0 5.332 5.568 4.153 0.000 0.000 0.000 3/32256 240.0 5.065 5.288 3.947 0.000 0.000 0.000 3/32256 250.0 4.825 5.036 3.761 0.000 0.000 0.000 3/32256 260.0 4.607 4.808 3.593 0.000 0.000 0.000 3/32256 270.0 4.408 4.601 3.439 0.000 0.000 0.000 3/32256 280.0 4.227 4.412 3.299 0.000 0.000 0.000 3/32256 290.0 4.061 4.238 3.170 0.000 0.000 0.000 3/32256 300.0 3.907 4.078 3.051 0.000 0.000 0.000 3/32256 310.0 3.765 3.930 2.941 0.000 0.000 0.000 3/32256 320.0 3.634 3.793 2.839 0.000 0.000 0.000 3/32256 330.0 3.511 3.665 2.744 0.000 0.000 0.000 3/32256 340.0 3.397 3.546 2.655 0.000 0.000 0.000 3/32256 350.0 3.291 3.435 2.572 0.000 0.000 0.000 3/32256 360.0 3.191 3.331 2.495 0.000 0.000 0.000 3/32256 370.0 3.097 3.233 2.422 0.000 0.000 0.000 3/32256 380.0 3.008 3.141 2.353 0.000 0.000 0.000 3/32256 390.0 2.925 3.054 2.288 0.000 0.000 0.000 3/32256 400.0 2.846 2.972 2.227 0.000 0.000 0.000 3/32256 410.0 2.772 2.894 2.169 0.000 0.000 0.000 3/32256 420.0 2.701 2.821 2.114 0.000 0.000 0.000 3/32256 430.0 2.634 2.751 2.062 0.000 0.000 0.000 3/32256 440.0 2.570 2.685 2.012 0.000 0.000 0.000 3/32256 450.0 2.510 2.622 1.965 0.000 0.000 0.000 3/32256 460.0 2.452 2.561 1.920 0.000 0.000 0.000 3/32256 470.0 2.397 2.504 1.877 0.000 0.000 0.000 3/32256 480.0 2.344 2.449 1.836 0.000 0.000 0.000 3/32256 490.0 2.294 2.397 1.797 0.000 0.000 0.000 3/32256 500.0 2.246 2.347 1.759 0.000 0.000 0.000 3/32256 510.0 2.200 2.298 1.723 0.000 0.000 0.000 3/32256 520.0 2.155 2.252 1.688 0.000 0.000 0.000 3/32256 530.0 2.113 2.208 1.655 0.000 0.000 0.000 3/32256 540.0 2.072 2.165 1.623 0.000 0.000 0.000 3/32256 550.0 2.033 2.125 1.593 0.000 0.000 0.000 3/32256 560.0 1.995 2.085 1.563 0.000 0.000 0.000 3/32256 570.0 1.959 2.047 1.535 0.000 0.000 0.000 3/32256 580.0 1.924 2.011 1.508 0.000 0.000 0.000 3/32256 590.0 1.890 1.976 1.481 0.000 0.000 0.000 3/32256 600.0 1.857 1.942 1.456 0.000 0.000 0.000 3/32256 610.0 1.826 1.909 1.431 0.000 0.000 0.000 3/32256 620.0 1.796 1.877 1.407 0.000 0.000 0.000 3/32256 630.0 1.766 1.846 1.384 0.000 0.000 0.000 3/32256 640.0 1.738 1.817 1.362 0.000 0.000 0.000 3/32256 650.0 1.710 1.788 1.341 0.000 0.000 0.000 3/32256 660.0 1.684 1.760 1.320 0.000 0.000 0.000 3/32256 670.0 1.658 1.733 1.300 0.000 0.000 0.000 3/32256 680.0 1.633 1.707 1.280 0.000 0.000 0.000 3/32256 690.0 1.608 1.682 1.261 0.000 0.000 0.000 3/32256 700.0 1.585 1.657 1.243 0.000 0.000 0.000 3/32256 710.0 1.562 1.633 1.225 0.000 0.000 0.000 3/32256 720.0 1.540 1.610 1.207 0.000 0.000 0.000 3/32256 730.0 1.518 1.587 1.190 0.000 0.000 0.000 3/32256 740.0 1.497 1.566 1.174 0.000 0.000 0.000 3/32256 750.0 1.477 1.544 1.158 0.000 0.000 0.000 3/32256 760.0 1.457 1.524 1.142 0.000 0.000 0.000 3/32256 770.0 1.438 1.503 1.127 0.000 0.000 0.000 3/32256 780.0 1.419 1.484 1.113 0.000 0.000 0.000 3/32256 790.0 1.401 1.465 1.098 0.000 0.000 0.000 3/32256 800.0 1.383 1.446 1.084 0.000 0.000 0.000 3/32256 810.0 1.365 1.428 1.071 0.000 0.000 0.000 3/32256 820.0 1.348 1.410 1.057 0.000 0.000 0.000 3/32256 830.0 1.332 1.393 1.044 0.000 0.000 0.000 3/32256 840.0 1.316 1.376 1.032 0.000 0.000 0.000 3/32256 850.0 1.300 1.360 1.019 0.000 0.000 0.000 3/32256 860.0 1.285 1.343 1.007 0.000 0.000 0.000 3/32256 870.0 1.270 1.328 0.996 0.000 0.000 0.000 3/32256 880.0 1.255 1.312 0.984 0.000 0.000 0.000 3/32256 890.0 1.241 1.297 0.973 0.000 0.000 0.000 3/32256 900.0 1.227 1.283 0.962 0.000 0.000 0.000 3/32256 910.0 1.213 1.269 0.951 0.000 0.000 0.000 3/32256 920.0 1.199 1.255 0.941 0.000 0.000 0.000 3/32256 930.0 1.186 1.241 0.931 0.000 0.000 0.000 3/32256 940.0 1.174 1.228 0.921 0.000 0.000 0.000 3/32256 950.0 1.161 1.214 0.911 0.000 0.000 0.000 3/32256 960.0 1.149 1.202 0.901 0.000 0.000 0.000 3/32256 970.0 1.137 1.189 0.892 0.000 0.000 0.000 3/32256 980.0 1.125 1.177 0.882 0.000 0.000 0.000 3/32256 990.0 1.114 1.165 0.873 0.000 0.000 0.000 3/32256 1000.0 1.102 1.153 0.865 0.000 0.000 0.000 3/32256 Thermal conductivity related properties were written into "kappa-m8712.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:55:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|