----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:02:34]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.134886570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.248915639999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.067199589999998 Atomic positions (fractional): *1 Hf 0.95801919975124 0.34346793146356 0.13851686156914 178.490 2 Hf 0.54198080024876 0.84346793146356 0.13851686156914 178.490 3 Hf 0.45801919975124 0.34346793146356 0.36148313843086 178.490 4 Hf 0.04198080024876 0.84346793146356 0.36148313843086 178.490 5 Hf 0.95801919975124 0.15653206853644 0.63851686156914 178.490 6 Hf 0.54198080024876 0.65653206853644 0.63851686156914 178.490 7 Hf 0.45801919975124 0.15653206853644 0.86148313843086 178.490 8 Hf 0.04198080024876 0.65653206853644 0.86148313843086 178.490 *9 O 0.83064791816930 0.66678440597471 0.03311429484183 15.999 10 O 0.66935208183070 0.16678440597471 0.03311429484183 15.999 *11 O 0.24774269473061 0.08942177684825 0.22365374654650 15.999 12 O 0.25225730526939 0.58942177684825 0.22365374654650 15.999 13 O 0.74774269473061 0.08942177684825 0.27634625345350 15.999 14 O 0.75225730526939 0.58942177684825 0.27634625345350 15.999 15 O 0.16935208183070 0.16678440597471 0.46688570515817 15.999 16 O 0.33064791816930 0.66678440597471 0.46688570515817 15.999 17 O 0.66935208183070 0.33321559402529 0.53311429484183 15.999 18 O 0.83064791816930 0.83321559402529 0.53311429484183 15.999 19 O 0.24774269473061 0.41057822315175 0.72365374654650 15.999 20 O 0.25225730526939 0.91057822315175 0.72365374654650 15.999 21 O 0.74774269473061 0.41057822315175 0.77634625345350 15.999 22 O 0.75225730526939 0.91057822315175 0.77634625345350 15.999 23 O 0.16935208183070 0.33321559402529 0.96688570515817 15.999 24 O 0.33064791816930 0.83321559402529 0.96688570515817 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.134886570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.248915639999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.067199589999998 Atomic positions (fractional): *1 Hf 0.95801919975124 0.34346793146356 0.13851686156914 178.490 > 1 2 Hf 0.54198080024876 0.84346793146356 0.13851686156914 178.490 > 2 3 Hf 0.45801919975124 0.34346793146356 0.36148313843086 178.490 > 3 4 Hf 0.04198080024876 0.84346793146356 0.36148313843086 178.490 > 4 5 Hf 0.95801919975124 0.15653206853644 0.63851686156914 178.490 > 5 6 Hf 0.54198080024876 0.65653206853644 0.63851686156914 178.490 > 6 7 Hf 0.45801919975124 0.15653206853644 0.86148313843086 178.490 > 7 8 Hf 0.04198080024876 0.65653206853644 0.86148313843086 178.490 > 8 *9 O 0.83064791816930 0.66678440597471 0.03311429484183 15.999 > 9 10 O 0.66935208183070 0.16678440597471 0.03311429484183 15.999 > 10 *11 O 0.24774269473061 0.08942177684825 0.22365374654650 15.999 > 11 12 O 0.25225730526939 0.58942177684825 0.22365374654650 15.999 > 12 13 O 0.74774269473061 0.08942177684825 0.27634625345350 15.999 > 13 14 O 0.75225730526939 0.58942177684825 0.27634625345350 15.999 > 14 15 O 0.16935208183070 0.16678440597471 0.46688570515817 15.999 > 15 16 O 0.33064791816930 0.66678440597471 0.46688570515817 15.999 > 16 17 O 0.66935208183070 0.33321559402529 0.53311429484183 15.999 > 17 18 O 0.83064791816930 0.83321559402529 0.53311429484183 15.999 > 18 19 O 0.24774269473061 0.41057822315175 0.72365374654650 15.999 > 19 20 O 0.25225730526939 0.91057822315175 0.72365374654650 15.999 > 20 21 O 0.74774269473061 0.41057822315175 0.77634625345350 15.999 > 21 22 O 0.75225730526939 0.91057822315175 0.77634625345350 15.999 > 22 23 O 0.16935208183070 0.33321559402529 0.96688570515817 15.999 > 23 24 O 0.33064791816930 0.83321559402529 0.96688570515817 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.269773140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.497831279999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.067199589999998 Atomic positions (fractional): *1 Hf 0.47900959987562 0.17173396573178 0.13851686156914 178.490 > 1 2 Hf 0.97900959987562 0.17173396573178 0.13851686156914 178.490 > 1 3 Hf 0.47900959987562 0.67173396573178 0.13851686156914 178.490 > 1 4 Hf 0.97900959987562 0.67173396573178 0.13851686156914 178.490 > 1 5 Hf 0.27099040012438 0.42173396573178 0.13851686156914 178.490 > 2 6 Hf 0.77099040012438 0.42173396573178 0.13851686156914 178.490 > 2 7 Hf 0.27099040012438 0.92173396573178 0.13851686156914 178.490 > 2 8 Hf 0.77099040012438 0.92173396573178 0.13851686156914 178.490 > 2 9 Hf 0.22900959987562 0.17173396573178 0.36148313843086 178.490 > 3 10 Hf 0.72900959987562 0.17173396573178 0.36148313843086 178.490 > 3 11 Hf 0.22900959987562 0.67173396573178 0.36148313843086 178.490 > 3 12 Hf 0.72900959987562 0.67173396573178 0.36148313843086 178.490 > 3 13 Hf 0.02099040012438 0.42173396573178 0.36148313843086 178.490 > 4 14 Hf 0.52099040012438 0.42173396573178 0.36148313843086 178.490 > 4 15 Hf 0.02099040012438 0.92173396573178 0.36148313843086 178.490 > 4 16 Hf 0.52099040012438 0.92173396573178 0.36148313843086 178.490 > 4 17 Hf 0.47900959987562 0.07826603426822 0.63851686156914 178.490 > 5 18 Hf 0.97900959987562 0.07826603426822 0.63851686156914 178.490 > 5 19 Hf 0.47900959987562 0.57826603426822 0.63851686156914 178.490 > 5 20 Hf 0.97900959987562 0.57826603426822 0.63851686156914 178.490 > 5 21 Hf 0.27099040012438 0.32826603426822 0.63851686156914 178.490 > 6 22 Hf 0.77099040012438 0.32826603426822 0.63851686156914 178.490 > 6 23 Hf 0.27099040012438 0.82826603426822 0.63851686156914 178.490 > 6 24 Hf 0.77099040012438 0.82826603426822 0.63851686156914 178.490 > 6 25 Hf 0.22900959987562 0.07826603426822 0.86148313843086 178.490 > 7 26 Hf 0.72900959987562 0.07826603426822 0.86148313843086 178.490 > 7 27 Hf 0.22900959987562 0.57826603426822 0.86148313843086 178.490 > 7 28 Hf 0.72900959987562 0.57826603426822 0.86148313843086 178.490 > 7 29 Hf 0.02099040012438 0.32826603426822 0.86148313843086 178.490 > 8 30 Hf 0.52099040012438 0.32826603426822 0.86148313843086 178.490 > 8 31 Hf 0.02099040012438 0.82826603426822 0.86148313843086 178.490 > 8 32 Hf 0.52099040012438 0.82826603426822 0.86148313843086 178.490 > 8 *33 O 0.41532395908465 0.33339220298736 0.03311429484183 15.999 > 9 34 O 0.91532395908465 0.33339220298736 0.03311429484183 15.999 > 9 35 O 0.41532395908465 0.83339220298736 0.03311429484183 15.999 > 9 36 O 0.91532395908465 0.83339220298736 0.03311429484183 15.999 > 9 37 O 0.33467604091535 0.08339220298735 0.03311429484183 15.999 > 10 38 O 0.83467604091535 0.08339220298735 0.03311429484183 15.999 > 10 39 O 0.33467604091535 0.58339220298735 0.03311429484183 15.999 > 10 40 O 0.83467604091535 0.58339220298735 0.03311429484183 15.999 > 10 *41 O 0.12387134736530 0.04471088842413 0.22365374654650 15.999 > 11 42 O 0.62387134736530 0.04471088842413 0.22365374654650 15.999 > 11 43 O 0.12387134736530 0.54471088842413 0.22365374654650 15.999 > 11 44 O 0.62387134736530 0.54471088842413 0.22365374654650 15.999 > 11 45 O 0.12612865263470 0.29471088842413 0.22365374654650 15.999 > 12 46 O 0.62612865263470 0.29471088842413 0.22365374654650 15.999 > 12 47 O 0.12612865263470 0.79471088842413 0.22365374654650 15.999 > 12 48 O 0.62612865263470 0.79471088842413 0.22365374654650 15.999 > 12 49 O 0.37387134736530 0.04471088842413 0.27634625345350 15.999 > 13 50 O 0.87387134736530 0.04471088842413 0.27634625345350 15.999 > 13 51 O 0.37387134736530 0.54471088842413 0.27634625345350 15.999 > 13 52 O 0.87387134736530 0.54471088842413 0.27634625345350 15.999 > 13 53 O 0.37612865263470 0.29471088842413 0.27634625345350 15.999 > 14 54 O 0.87612865263470 0.29471088842413 0.27634625345350 15.999 > 14 55 O 0.37612865263470 0.79471088842413 0.27634625345350 15.999 > 14 56 O 0.87612865263470 0.79471088842413 0.27634625345350 15.999 > 14 57 O 0.08467604091535 0.08339220298735 0.46688570515817 15.999 > 15 58 O 0.58467604091535 0.08339220298735 0.46688570515817 15.999 > 15 59 O 0.08467604091535 0.58339220298735 0.46688570515817 15.999 > 15 60 O 0.58467604091535 0.58339220298735 0.46688570515817 15.999 > 15 61 O 0.16532395908465 0.33339220298736 0.46688570515817 15.999 > 16 62 O 0.66532395908465 0.33339220298736 0.46688570515817 15.999 > 16 63 O 0.16532395908465 0.83339220298736 0.46688570515817 15.999 > 16 64 O 0.66532395908465 0.83339220298736 0.46688570515817 15.999 > 16 65 O 0.33467604091535 0.16660779701264 0.53311429484183 15.999 > 17 66 O 0.83467604091535 0.16660779701264 0.53311429484183 15.999 > 17 67 O 0.33467604091535 0.66660779701264 0.53311429484183 15.999 > 17 68 O 0.83467604091535 0.66660779701264 0.53311429484183 15.999 > 17 69 O 0.41532395908465 0.41660779701264 0.53311429484183 15.999 > 18 70 O 0.91532395908465 0.41660779701264 0.53311429484183 15.999 > 18 71 O 0.41532395908465 0.91660779701264 0.53311429484183 15.999 > 18 72 O 0.91532395908465 0.91660779701264 0.53311429484183 15.999 > 18 73 O 0.12387134736530 0.20528911157587 0.72365374654650 15.999 > 19 74 O 0.62387134736530 0.20528911157587 0.72365374654650 15.999 > 19 75 O 0.12387134736530 0.70528911157587 0.72365374654650 15.999 > 19 76 O 0.62387134736530 0.70528911157587 0.72365374654650 15.999 > 19 77 O 0.12612865263470 0.45528911157587 0.72365374654650 15.999 > 20 78 O 0.62612865263470 0.45528911157587 0.72365374654650 15.999 > 20 79 O 0.12612865263470 0.95528911157587 0.72365374654650 15.999 > 20 80 O 0.62612865263470 0.95528911157587 0.72365374654650 15.999 > 20 81 O 0.37387134736530 0.20528911157587 0.77634625345350 15.999 > 21 82 O 0.87387134736530 0.20528911157587 0.77634625345350 15.999 > 21 83 O 0.37387134736530 0.70528911157587 0.77634625345350 15.999 > 21 84 O 0.87387134736530 0.70528911157587 0.77634625345350 15.999 > 21 85 O 0.37612865263470 0.45528911157587 0.77634625345350 15.999 > 22 86 O 0.87612865263470 0.45528911157587 0.77634625345350 15.999 > 22 87 O 0.37612865263470 0.95528911157587 0.77634625345350 15.999 > 22 88 O 0.87612865263470 0.95528911157587 0.77634625345350 15.999 > 22 89 O 0.08467604091535 0.16660779701264 0.96688570515817 15.999 > 23 90 O 0.58467604091535 0.16660779701264 0.96688570515817 15.999 > 23 91 O 0.08467604091535 0.66660779701264 0.96688570515817 15.999 > 23 92 O 0.58467604091535 0.66660779701264 0.96688570515817 15.999 > 23 93 O 0.16532395908465 0.41660779701264 0.96688570515817 15.999 > 24 94 O 0.66532395908465 0.41660779701264 0.96688570515817 15.999 > 24 95 O 0.16532395908465 0.91660779701264 0.96688570515817 15.999 > 24 96 O 0.66532395908465 0.91660779701264 0.96688570515817 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9475054 0.0000000 0.0000000 0.0000000 4.7139907 0.0000000 0.0000000 0.0000000 5.0495795 -------------------------- Born effective charges -------------------------- 1 Hf 5.2447662 0.3651464 0.1473885 0.3488913 4.7987359 -0.0339567 0.3036085 -0.0841054 5.4118242 2 Hf 5.2447662 -0.3651464 -0.1473885 -0.3488913 4.7987359 -0.0339567 -0.3036085 -0.0841054 5.4118242 3 Hf 5.2447662 0.3651464 -0.1473885 0.3488913 4.7987359 0.0339567 -0.3036085 0.0841054 5.4118242 4 Hf 5.2447662 -0.3651464 0.1473885 -0.3488913 4.7987359 0.0339567 0.3036085 0.0841054 5.4118242 5 Hf 5.2447662 -0.3651464 0.1473885 -0.3488913 4.7987359 0.0339567 0.3036085 0.0841054 5.4118242 6 Hf 5.2447662 0.3651464 -0.1473885 0.3488913 4.7987359 0.0339567 -0.3036085 0.0841054 5.4118242 7 Hf 5.2447662 -0.3651464 -0.1473885 -0.3488913 4.7987359 -0.0339567 -0.3036085 -0.0841054 5.4118242 8 Hf 5.2447662 0.3651464 0.1473885 0.3488913 4.7987359 -0.0339567 0.3036085 -0.0841054 5.4118242 9 O -2.5347407 0.8718087 1.1207869 0.8879725 -2.2477375 0.0046753 0.8827034 0.1040835 -3.0036754 10 O -2.5347407 -0.8718087 -1.1207869 -0.8879725 -2.2477375 0.0046753 -0.8827034 0.1040835 -3.0036754 11 O -2.7100255 0.2882705 0.1333721 0.4154850 -2.5509983 0.0896870 0.0740087 0.0169784 -2.4081488 12 O -2.7100255 -0.2882705 -0.1333721 -0.4154850 -2.5509983 0.0896870 -0.0740087 0.0169784 -2.4081488 13 O -2.7100255 0.2882705 -0.1333721 0.4154850 -2.5509983 -0.0896870 -0.0740087 -0.0169784 -2.4081488 14 O -2.7100255 -0.2882705 0.1333721 -0.4154850 -2.5509983 -0.0896870 0.0740087 -0.0169784 -2.4081488 15 O -2.5347407 -0.8718087 1.1207869 -0.8879725 -2.2477375 -0.0046753 0.8827034 -0.1040835 -3.0036754 16 O -2.5347407 0.8718087 -1.1207869 0.8879725 -2.2477375 -0.0046753 -0.8827034 -0.1040835 -3.0036754 17 O -2.5347407 0.8718087 -1.1207869 0.8879725 -2.2477375 -0.0046753 -0.8827034 -0.1040835 -3.0036754 18 O -2.5347407 -0.8718087 1.1207869 -0.8879725 -2.2477375 -0.0046753 0.8827034 -0.1040835 -3.0036754 19 O -2.7100255 -0.2882705 0.1333721 -0.4154850 -2.5509983 -0.0896870 0.0740087 -0.0169784 -2.4081488 20 O -2.7100255 0.2882705 -0.1333721 0.4154850 -2.5509983 -0.0896870 -0.0740087 -0.0169784 -2.4081488 21 O -2.7100255 -0.2882705 -0.1333721 -0.4154850 -2.5509983 0.0896870 -0.0740087 0.0169784 -2.4081488 22 O -2.7100255 0.2882705 0.1333721 0.4154850 -2.5509983 0.0896870 0.0740087 0.0169784 -2.4081488 23 O -2.5347407 0.8718087 1.1207869 0.8879725 -2.2477375 0.0046753 0.8827034 0.1040835 -3.0036754 24 O -2.5347407 -0.8718087 -1.1207869 -0.8879725 -2.2477375 0.0046753 -0.8827034 0.1040835 -3.0036754 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1368 Number of blocks in projector: 1368 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: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 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: - (1368, 1341), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True |-- (288, 282), data: True |-- (288, 282), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.585 Solver_block: 200 / 400 - Time: 1.539 Solver_block: 300 / 400 - Time: 1.537 Solver_block: 400 / 400 - Time: 1.538 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.229 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1368 Number of blocks in projector: 1368 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: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 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: - (1368, 1341), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True |-- (288, 282), data: True |-- (288, 282), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 03:02:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:02:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.134886570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.248915639999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.067199589999998 Atomic positions (fractional): 1 Hf 0.95801919975124 0.34346793146356 0.13851686156914 178.490 2 Hf 0.54198080024876 0.84346793146356 0.13851686156914 178.490 3 Hf 0.45801919975124 0.34346793146356 0.36148313843086 178.490 4 Hf 0.04198080024876 0.84346793146356 0.36148313843086 178.490 5 Hf 0.95801919975124 0.15653206853644 0.63851686156914 178.490 6 Hf 0.54198080024876 0.65653206853644 0.63851686156914 178.490 7 Hf 0.45801919975124 0.15653206853644 0.86148313843086 178.490 8 Hf 0.04198080024876 0.65653206853644 0.86148313843086 178.490 9 O 0.83064791816930 0.66678440597471 0.03311429484183 15.999 10 O 0.66935208183070 0.16678440597471 0.03311429484183 15.999 11 O 0.24774269473061 0.08942177684825 0.22365374654650 15.999 12 O 0.25225730526939 0.58942177684825 0.22365374654650 15.999 13 O 0.74774269473061 0.08942177684825 0.27634625345350 15.999 14 O 0.75225730526939 0.58942177684825 0.27634625345350 15.999 15 O 0.16935208183070 0.16678440597471 0.46688570515817 15.999 16 O 0.33064791816930 0.66678440597471 0.46688570515817 15.999 17 O 0.66935208183070 0.33321559402529 0.53311429484183 15.999 18 O 0.83064791816930 0.83321559402529 0.53311429484183 15.999 19 O 0.24774269473061 0.41057822315175 0.72365374654650 15.999 20 O 0.25225730526939 0.91057822315175 0.72365374654650 15.999 21 O 0.74774269473061 0.41057822315175 0.77634625345350 15.999 22 O 0.75225730526939 0.91057822315175 0.77634625345350 15.999 23 O 0.16935208183070 0.33321559402529 0.96688570515817 15.999 24 O 0.33064791816930 0.83321559402529 0.96688570515817 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.269773140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.497831279999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.067199589999998 Atomic positions (fractional): 1 Hf 0.47900959987562 0.17173396573178 0.13851686156914 178.490 > 1 2 Hf 0.97900959987562 0.17173396573178 0.13851686156914 178.490 > 1 3 Hf 0.47900959987562 0.67173396573178 0.13851686156914 178.490 > 1 4 Hf 0.97900959987562 0.67173396573178 0.13851686156914 178.490 > 1 5 Hf 0.27099040012438 0.42173396573178 0.13851686156914 178.490 > 5 6 Hf 0.77099040012438 0.42173396573178 0.13851686156914 178.490 > 5 7 Hf 0.27099040012438 0.92173396573178 0.13851686156914 178.490 > 5 8 Hf 0.77099040012438 0.92173396573178 0.13851686156914 178.490 > 5 9 Hf 0.22900959987562 0.17173396573178 0.36148313843086 178.490 > 9 10 Hf 0.72900959987562 0.17173396573178 0.36148313843086 178.490 > 9 11 Hf 0.22900959987562 0.67173396573178 0.36148313843086 178.490 > 9 12 Hf 0.72900959987562 0.67173396573178 0.36148313843086 178.490 > 9 13 Hf 0.02099040012438 0.42173396573178 0.36148313843086 178.490 > 13 14 Hf 0.52099040012438 0.42173396573178 0.36148313843086 178.490 > 13 15 Hf 0.02099040012438 0.92173396573178 0.36148313843086 178.490 > 13 16 Hf 0.52099040012438 0.92173396573178 0.36148313843086 178.490 > 13 17 Hf 0.47900959987562 0.07826603426822 0.63851686156914 178.490 > 17 18 Hf 0.97900959987562 0.07826603426822 0.63851686156914 178.490 > 17 19 Hf 0.47900959987562 0.57826603426822 0.63851686156914 178.490 > 17 20 Hf 0.97900959987562 0.57826603426822 0.63851686156914 178.490 > 17 21 Hf 0.27099040012438 0.32826603426822 0.63851686156914 178.490 > 21 22 Hf 0.77099040012438 0.32826603426822 0.63851686156914 178.490 > 21 23 Hf 0.27099040012438 0.82826603426822 0.63851686156914 178.490 > 21 24 Hf 0.77099040012438 0.82826603426822 0.63851686156914 178.490 > 21 25 Hf 0.22900959987562 0.07826603426822 0.86148313843086 178.490 > 25 26 Hf 0.72900959987562 0.07826603426822 0.86148313843086 178.490 > 25 27 Hf 0.22900959987562 0.57826603426822 0.86148313843086 178.490 > 25 28 Hf 0.72900959987562 0.57826603426822 0.86148313843086 178.490 > 25 29 Hf 0.02099040012438 0.32826603426822 0.86148313843086 178.490 > 29 30 Hf 0.52099040012438 0.32826603426822 0.86148313843086 178.490 > 29 31 Hf 0.02099040012438 0.82826603426822 0.86148313843086 178.490 > 29 32 Hf 0.52099040012438 0.82826603426822 0.86148313843086 178.490 > 29 33 O 0.41532395908465 0.33339220298736 0.03311429484183 15.999 > 33 34 O 0.91532395908465 0.33339220298736 0.03311429484183 15.999 > 33 35 O 0.41532395908465 0.83339220298736 0.03311429484183 15.999 > 33 36 O 0.91532395908465 0.83339220298736 0.03311429484183 15.999 > 33 37 O 0.33467604091535 0.08339220298735 0.03311429484183 15.999 > 37 38 O 0.83467604091535 0.08339220298735 0.03311429484183 15.999 > 37 39 O 0.33467604091535 0.58339220298735 0.03311429484183 15.999 > 37 40 O 0.83467604091535 0.58339220298735 0.03311429484183 15.999 > 37 41 O 0.12387134736530 0.04471088842413 0.22365374654650 15.999 > 41 42 O 0.62387134736530 0.04471088842413 0.22365374654650 15.999 > 41 43 O 0.12387134736530 0.54471088842413 0.22365374654650 15.999 > 41 44 O 0.62387134736530 0.54471088842413 0.22365374654650 15.999 > 41 45 O 0.12612865263470 0.29471088842413 0.22365374654650 15.999 > 45 46 O 0.62612865263470 0.29471088842413 0.22365374654650 15.999 > 45 47 O 0.12612865263470 0.79471088842413 0.22365374654650 15.999 > 45 48 O 0.62612865263470 0.79471088842413 0.22365374654650 15.999 > 45 49 O 0.37387134736530 0.04471088842413 0.27634625345350 15.999 > 49 50 O 0.87387134736530 0.04471088842413 0.27634625345350 15.999 > 49 51 O 0.37387134736530 0.54471088842413 0.27634625345350 15.999 > 49 52 O 0.87387134736530 0.54471088842413 0.27634625345350 15.999 > 49 53 O 0.37612865263470 0.29471088842413 0.27634625345350 15.999 > 53 54 O 0.87612865263470 0.29471088842413 0.27634625345350 15.999 > 53 55 O 0.37612865263470 0.79471088842413 0.27634625345350 15.999 > 53 56 O 0.87612865263470 0.79471088842413 0.27634625345350 15.999 > 53 57 O 0.08467604091535 0.08339220298735 0.46688570515817 15.999 > 57 58 O 0.58467604091535 0.08339220298735 0.46688570515817 15.999 > 57 59 O 0.08467604091535 0.58339220298735 0.46688570515817 15.999 > 57 60 O 0.58467604091535 0.58339220298735 0.46688570515817 15.999 > 57 61 O 0.16532395908465 0.33339220298736 0.46688570515817 15.999 > 61 62 O 0.66532395908465 0.33339220298736 0.46688570515817 15.999 > 61 63 O 0.16532395908465 0.83339220298736 0.46688570515817 15.999 > 61 64 O 0.66532395908465 0.83339220298736 0.46688570515817 15.999 > 61 65 O 0.33467604091535 0.16660779701264 0.53311429484183 15.999 > 65 66 O 0.83467604091535 0.16660779701264 0.53311429484183 15.999 > 65 67 O 0.33467604091535 0.66660779701264 0.53311429484183 15.999 > 65 68 O 0.83467604091535 0.66660779701264 0.53311429484183 15.999 > 65 69 O 0.41532395908465 0.41660779701264 0.53311429484183 15.999 > 69 70 O 0.91532395908465 0.41660779701264 0.53311429484183 15.999 > 69 71 O 0.41532395908465 0.91660779701264 0.53311429484183 15.999 > 69 72 O 0.91532395908465 0.91660779701264 0.53311429484183 15.999 > 69 73 O 0.12387134736530 0.20528911157587 0.72365374654650 15.999 > 73 74 O 0.62387134736530 0.20528911157587 0.72365374654650 15.999 > 73 75 O 0.12387134736530 0.70528911157587 0.72365374654650 15.999 > 73 76 O 0.62387134736530 0.70528911157587 0.72365374654650 15.999 > 73 77 O 0.12612865263470 0.45528911157587 0.72365374654650 15.999 > 77 78 O 0.62612865263470 0.45528911157587 0.72365374654650 15.999 > 77 79 O 0.12612865263470 0.95528911157587 0.72365374654650 15.999 > 77 80 O 0.62612865263470 0.95528911157587 0.72365374654650 15.999 > 77 81 O 0.37387134736530 0.20528911157587 0.77634625345350 15.999 > 81 82 O 0.87387134736530 0.20528911157587 0.77634625345350 15.999 > 81 83 O 0.37387134736530 0.70528911157587 0.77634625345350 15.999 > 81 84 O 0.87387134736530 0.70528911157587 0.77634625345350 15.999 > 81 85 O 0.37612865263470 0.45528911157587 0.77634625345350 15.999 > 85 86 O 0.87612865263470 0.45528911157587 0.77634625345350 15.999 > 85 87 O 0.37612865263470 0.95528911157587 0.77634625345350 15.999 > 85 88 O 0.87612865263470 0.95528911157587 0.77634625345350 15.999 > 85 89 O 0.08467604091535 0.16660779701264 0.96688570515817 15.999 > 89 90 O 0.58467604091535 0.16660779701264 0.96688570515817 15.999 > 89 91 O 0.08467604091535 0.66660779701264 0.96688570515817 15.999 > 89 92 O 0.58467604091535 0.66660779701264 0.96688570515817 15.999 > 89 93 O 0.16532395908465 0.41660779701264 0.96688570515817 15.999 > 93 94 O 0.66532395908465 0.41660779701264 0.96688570515817 15.999 > 93 95 O 0.16532395908465 0.91660779701264 0.96688570515817 15.999 > 93 96 O 0.66532395908465 0.91660779701264 0.96688570515817 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9475054 0.0000000 0.0000000 0.0000000 4.7139907 0.0000000 0.0000000 0.0000000 5.0495795 -------------------------- Born effective charges -------------------------- 1 Hf 5.2447662 0.3651464 0.1473885 0.3488913 4.7987359 -0.0339567 0.3036085 -0.0841054 5.4118242 2 Hf 5.2447662 -0.3651464 -0.1473885 -0.3488913 4.7987359 -0.0339567 -0.3036085 -0.0841054 5.4118242 3 Hf 5.2447662 0.3651464 -0.1473885 0.3488913 4.7987359 0.0339567 -0.3036085 0.0841054 5.4118242 4 Hf 5.2447662 -0.3651464 0.1473885 -0.3488913 4.7987359 0.0339567 0.3036085 0.0841054 5.4118242 5 Hf 5.2447662 -0.3651464 0.1473885 -0.3488913 4.7987359 0.0339567 0.3036085 0.0841054 5.4118242 6 Hf 5.2447662 0.3651464 -0.1473885 0.3488913 4.7987359 0.0339567 -0.3036085 0.0841054 5.4118242 7 Hf 5.2447662 -0.3651464 -0.1473885 -0.3488913 4.7987359 -0.0339567 -0.3036085 -0.0841054 5.4118242 8 Hf 5.2447662 0.3651464 0.1473885 0.3488913 4.7987359 -0.0339567 0.3036085 -0.0841054 5.4118242 9 O -2.5347407 0.8718087 1.1207869 0.8879725 -2.2477375 0.0046753 0.8827034 0.1040835 -3.0036754 10 O -2.5347407 -0.8718087 -1.1207869 -0.8879725 -2.2477375 0.0046753 -0.8827034 0.1040835 -3.0036754 11 O -2.7100255 0.2882705 0.1333721 0.4154850 -2.5509983 0.0896870 0.0740087 0.0169784 -2.4081488 12 O -2.7100255 -0.2882705 -0.1333721 -0.4154850 -2.5509983 0.0896870 -0.0740087 0.0169784 -2.4081488 13 O -2.7100255 0.2882705 -0.1333721 0.4154850 -2.5509983 -0.0896870 -0.0740087 -0.0169784 -2.4081488 14 O -2.7100255 -0.2882705 0.1333721 -0.4154850 -2.5509983 -0.0896870 0.0740087 -0.0169784 -2.4081488 15 O -2.5347407 -0.8718087 1.1207869 -0.8879725 -2.2477375 -0.0046753 0.8827034 -0.1040835 -3.0036754 16 O -2.5347407 0.8718087 -1.1207869 0.8879725 -2.2477375 -0.0046753 -0.8827034 -0.1040835 -3.0036754 17 O -2.5347407 0.8718087 -1.1207869 0.8879725 -2.2477375 -0.0046753 -0.8827034 -0.1040835 -3.0036754 18 O -2.5347407 -0.8718087 1.1207869 -0.8879725 -2.2477375 -0.0046753 0.8827034 -0.1040835 -3.0036754 19 O -2.7100255 -0.2882705 0.1333721 -0.4154850 -2.5509983 -0.0896870 0.0740087 -0.0169784 -2.4081488 20 O -2.7100255 0.2882705 -0.1333721 0.4154850 -2.5509983 -0.0896870 -0.0740087 -0.0169784 -2.4081488 21 O -2.7100255 -0.2882705 -0.1333721 -0.4154850 -2.5509983 0.0896870 -0.0740087 0.0169784 -2.4081488 22 O -2.7100255 0.2882705 0.1333721 0.4154850 -2.5509983 0.0896870 0.0740087 0.0169784 -2.4081488 23 O -2.5347407 0.8718087 1.1207869 0.8879725 -2.2477375 0.0046753 0.8827034 0.1040835 -3.0036754 24 O -2.5347407 -0.8718087 -1.1207869 -0.8879725 -2.2477375 0.0046753 -0.8827034 0.1040835 -3.0036754 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (zzz) -0.00000003 (zzz) -0.00000003 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yz) -0.00000001 (yz) 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 2026-01-09 03:03:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:03:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.134886570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.248915639999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.067199589999998 Atomic positions (fractional): 1 Hf 0.95801919975124 0.34346793146356 0.13851686156914 178.490 2 Hf 0.54198080024876 0.84346793146356 0.13851686156914 178.490 3 Hf 0.45801919975124 0.34346793146356 0.36148313843086 178.490 4 Hf 0.04198080024876 0.84346793146356 0.36148313843086 178.490 5 Hf 0.95801919975124 0.15653206853644 0.63851686156914 178.490 6 Hf 0.54198080024876 0.65653206853644 0.63851686156914 178.490 7 Hf 0.45801919975124 0.15653206853644 0.86148313843086 178.490 8 Hf 0.04198080024876 0.65653206853644 0.86148313843086 178.490 9 O 0.83064791816930 0.66678440597471 0.03311429484183 15.999 10 O 0.66935208183070 0.16678440597471 0.03311429484183 15.999 11 O 0.24774269473061 0.08942177684825 0.22365374654650 15.999 12 O 0.25225730526939 0.58942177684825 0.22365374654650 15.999 13 O 0.74774269473061 0.08942177684825 0.27634625345350 15.999 14 O 0.75225730526939 0.58942177684825 0.27634625345350 15.999 15 O 0.16935208183070 0.16678440597471 0.46688570515817 15.999 16 O 0.33064791816930 0.66678440597471 0.46688570515817 15.999 17 O 0.66935208183070 0.33321559402529 0.53311429484183 15.999 18 O 0.83064791816930 0.83321559402529 0.53311429484183 15.999 19 O 0.24774269473061 0.41057822315175 0.72365374654650 15.999 20 O 0.25225730526939 0.91057822315175 0.72365374654650 15.999 21 O 0.74774269473061 0.41057822315175 0.77634625345350 15.999 22 O 0.75225730526939 0.91057822315175 0.77634625345350 15.999 23 O 0.16935208183070 0.33321559402529 0.96688570515817 15.999 24 O 0.33064791816930 0.83321559402529 0.96688570515817 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.269773140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.497831279999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.067199589999998 Atomic positions (fractional): 1 Hf 0.47900959987562 0.17173396573178 0.13851686156914 178.490 > 1 2 Hf 0.97900959987562 0.17173396573178 0.13851686156914 178.490 > 1 3 Hf 0.47900959987562 0.67173396573178 0.13851686156914 178.490 > 1 4 Hf 0.97900959987562 0.67173396573178 0.13851686156914 178.490 > 1 5 Hf 0.27099040012438 0.42173396573178 0.13851686156914 178.490 > 5 6 Hf 0.77099040012438 0.42173396573178 0.13851686156914 178.490 > 5 7 Hf 0.27099040012438 0.92173396573178 0.13851686156914 178.490 > 5 8 Hf 0.77099040012438 0.92173396573178 0.13851686156914 178.490 > 5 9 Hf 0.22900959987562 0.17173396573178 0.36148313843086 178.490 > 9 10 Hf 0.72900959987562 0.17173396573178 0.36148313843086 178.490 > 9 11 Hf 0.22900959987562 0.67173396573178 0.36148313843086 178.490 > 9 12 Hf 0.72900959987562 0.67173396573178 0.36148313843086 178.490 > 9 13 Hf 0.02099040012438 0.42173396573178 0.36148313843086 178.490 > 13 14 Hf 0.52099040012438 0.42173396573178 0.36148313843086 178.490 > 13 15 Hf 0.02099040012438 0.92173396573178 0.36148313843086 178.490 > 13 16 Hf 0.52099040012438 0.92173396573178 0.36148313843086 178.490 > 13 17 Hf 0.47900959987562 0.07826603426822 0.63851686156914 178.490 > 17 18 Hf 0.97900959987562 0.07826603426822 0.63851686156914 178.490 > 17 19 Hf 0.47900959987562 0.57826603426822 0.63851686156914 178.490 > 17 20 Hf 0.97900959987562 0.57826603426822 0.63851686156914 178.490 > 17 21 Hf 0.27099040012438 0.32826603426822 0.63851686156914 178.490 > 21 22 Hf 0.77099040012438 0.32826603426822 0.63851686156914 178.490 > 21 23 Hf 0.27099040012438 0.82826603426822 0.63851686156914 178.490 > 21 24 Hf 0.77099040012438 0.82826603426822 0.63851686156914 178.490 > 21 25 Hf 0.22900959987562 0.07826603426822 0.86148313843086 178.490 > 25 26 Hf 0.72900959987562 0.07826603426822 0.86148313843086 178.490 > 25 27 Hf 0.22900959987562 0.57826603426822 0.86148313843086 178.490 > 25 28 Hf 0.72900959987562 0.57826603426822 0.86148313843086 178.490 > 25 29 Hf 0.02099040012438 0.32826603426822 0.86148313843086 178.490 > 29 30 Hf 0.52099040012438 0.32826603426822 0.86148313843086 178.490 > 29 31 Hf 0.02099040012438 0.82826603426822 0.86148313843086 178.490 > 29 32 Hf 0.52099040012438 0.82826603426822 0.86148313843086 178.490 > 29 33 O 0.41532395908465 0.33339220298736 0.03311429484183 15.999 > 33 34 O 0.91532395908465 0.33339220298736 0.03311429484183 15.999 > 33 35 O 0.41532395908465 0.83339220298736 0.03311429484183 15.999 > 33 36 O 0.91532395908465 0.83339220298736 0.03311429484183 15.999 > 33 37 O 0.33467604091535 0.08339220298735 0.03311429484183 15.999 > 37 38 O 0.83467604091535 0.08339220298735 0.03311429484183 15.999 > 37 39 O 0.33467604091535 0.58339220298735 0.03311429484183 15.999 > 37 40 O 0.83467604091535 0.58339220298735 0.03311429484183 15.999 > 37 41 O 0.12387134736530 0.04471088842413 0.22365374654650 15.999 > 41 42 O 0.62387134736530 0.04471088842413 0.22365374654650 15.999 > 41 43 O 0.12387134736530 0.54471088842413 0.22365374654650 15.999 > 41 44 O 0.62387134736530 0.54471088842413 0.22365374654650 15.999 > 41 45 O 0.12612865263470 0.29471088842413 0.22365374654650 15.999 > 45 46 O 0.62612865263470 0.29471088842413 0.22365374654650 15.999 > 45 47 O 0.12612865263470 0.79471088842413 0.22365374654650 15.999 > 45 48 O 0.62612865263470 0.79471088842413 0.22365374654650 15.999 > 45 49 O 0.37387134736530 0.04471088842413 0.27634625345350 15.999 > 49 50 O 0.87387134736530 0.04471088842413 0.27634625345350 15.999 > 49 51 O 0.37387134736530 0.54471088842413 0.27634625345350 15.999 > 49 52 O 0.87387134736530 0.54471088842413 0.27634625345350 15.999 > 49 53 O 0.37612865263470 0.29471088842413 0.27634625345350 15.999 > 53 54 O 0.87612865263470 0.29471088842413 0.27634625345350 15.999 > 53 55 O 0.37612865263470 0.79471088842413 0.27634625345350 15.999 > 53 56 O 0.87612865263470 0.79471088842413 0.27634625345350 15.999 > 53 57 O 0.08467604091535 0.08339220298735 0.46688570515817 15.999 > 57 58 O 0.58467604091535 0.08339220298735 0.46688570515817 15.999 > 57 59 O 0.08467604091535 0.58339220298735 0.46688570515817 15.999 > 57 60 O 0.58467604091535 0.58339220298735 0.46688570515817 15.999 > 57 61 O 0.16532395908465 0.33339220298736 0.46688570515817 15.999 > 61 62 O 0.66532395908465 0.33339220298736 0.46688570515817 15.999 > 61 63 O 0.16532395908465 0.83339220298736 0.46688570515817 15.999 > 61 64 O 0.66532395908465 0.83339220298736 0.46688570515817 15.999 > 61 65 O 0.33467604091535 0.16660779701264 0.53311429484183 15.999 > 65 66 O 0.83467604091535 0.16660779701264 0.53311429484183 15.999 > 65 67 O 0.33467604091535 0.66660779701264 0.53311429484183 15.999 > 65 68 O 0.83467604091535 0.66660779701264 0.53311429484183 15.999 > 65 69 O 0.41532395908465 0.41660779701264 0.53311429484183 15.999 > 69 70 O 0.91532395908465 0.41660779701264 0.53311429484183 15.999 > 69 71 O 0.41532395908465 0.91660779701264 0.53311429484183 15.999 > 69 72 O 0.91532395908465 0.91660779701264 0.53311429484183 15.999 > 69 73 O 0.12387134736530 0.20528911157587 0.72365374654650 15.999 > 73 74 O 0.62387134736530 0.20528911157587 0.72365374654650 15.999 > 73 75 O 0.12387134736530 0.70528911157587 0.72365374654650 15.999 > 73 76 O 0.62387134736530 0.70528911157587 0.72365374654650 15.999 > 73 77 O 0.12612865263470 0.45528911157587 0.72365374654650 15.999 > 77 78 O 0.62612865263470 0.45528911157587 0.72365374654650 15.999 > 77 79 O 0.12612865263470 0.95528911157587 0.72365374654650 15.999 > 77 80 O 0.62612865263470 0.95528911157587 0.72365374654650 15.999 > 77 81 O 0.37387134736530 0.20528911157587 0.77634625345350 15.999 > 81 82 O 0.87387134736530 0.20528911157587 0.77634625345350 15.999 > 81 83 O 0.37387134736530 0.70528911157587 0.77634625345350 15.999 > 81 84 O 0.87387134736530 0.70528911157587 0.77634625345350 15.999 > 81 85 O 0.37612865263470 0.45528911157587 0.77634625345350 15.999 > 85 86 O 0.87612865263470 0.45528911157587 0.77634625345350 15.999 > 85 87 O 0.37612865263470 0.95528911157587 0.77634625345350 15.999 > 85 88 O 0.87612865263470 0.95528911157587 0.77634625345350 15.999 > 85 89 O 0.08467604091535 0.16660779701264 0.96688570515817 15.999 > 89 90 O 0.58467604091535 0.16660779701264 0.96688570515817 15.999 > 89 91 O 0.08467604091535 0.66660779701264 0.96688570515817 15.999 > 89 92 O 0.58467604091535 0.66660779701264 0.96688570515817 15.999 > 89 93 O 0.16532395908465 0.41660779701264 0.96688570515817 15.999 > 93 94 O 0.66532395908465 0.41660779701264 0.96688570515817 15.999 > 93 95 O 0.16532395908465 0.91660779701264 0.96688570515817 15.999 > 93 96 O 0.66532395908465 0.91660779701264 0.96688570515817 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.9475054 0.0000000 0.0000000 0.0000000 4.7139907 0.0000000 0.0000000 0.0000000 5.0495795 -------------------------- Born effective charges -------------------------- 1 Hf 5.2447662 0.3651464 0.1473885 0.3488913 4.7987359 -0.0339567 0.3036085 -0.0841054 5.4118242 2 Hf 5.2447662 -0.3651464 -0.1473885 -0.3488913 4.7987359 -0.0339567 -0.3036085 -0.0841054 5.4118242 3 Hf 5.2447662 0.3651464 -0.1473885 0.3488913 4.7987359 0.0339567 -0.3036085 0.0841054 5.4118242 4 Hf 5.2447662 -0.3651464 0.1473885 -0.3488913 4.7987359 0.0339567 0.3036085 0.0841054 5.4118242 5 Hf 5.2447662 -0.3651464 0.1473885 -0.3488913 4.7987359 0.0339567 0.3036085 0.0841054 5.4118242 6 Hf 5.2447662 0.3651464 -0.1473885 0.3488913 4.7987359 0.0339567 -0.3036085 0.0841054 5.4118242 7 Hf 5.2447662 -0.3651464 -0.1473885 -0.3488913 4.7987359 -0.0339567 -0.3036085 -0.0841054 5.4118242 8 Hf 5.2447662 0.3651464 0.1473885 0.3488913 4.7987359 -0.0339567 0.3036085 -0.0841054 5.4118242 9 O -2.5347407 0.8718087 1.1207869 0.8879725 -2.2477375 0.0046753 0.8827034 0.1040835 -3.0036754 10 O -2.5347407 -0.8718087 -1.1207869 -0.8879725 -2.2477375 0.0046753 -0.8827034 0.1040835 -3.0036754 11 O -2.7100255 0.2882705 0.1333721 0.4154850 -2.5509983 0.0896870 0.0740087 0.0169784 -2.4081488 12 O -2.7100255 -0.2882705 -0.1333721 -0.4154850 -2.5509983 0.0896870 -0.0740087 0.0169784 -2.4081488 13 O -2.7100255 0.2882705 -0.1333721 0.4154850 -2.5509983 -0.0896870 -0.0740087 -0.0169784 -2.4081488 14 O -2.7100255 -0.2882705 0.1333721 -0.4154850 -2.5509983 -0.0896870 0.0740087 -0.0169784 -2.4081488 15 O -2.5347407 -0.8718087 1.1207869 -0.8879725 -2.2477375 -0.0046753 0.8827034 -0.1040835 -3.0036754 16 O -2.5347407 0.8718087 -1.1207869 0.8879725 -2.2477375 -0.0046753 -0.8827034 -0.1040835 -3.0036754 17 O -2.5347407 0.8718087 -1.1207869 0.8879725 -2.2477375 -0.0046753 -0.8827034 -0.1040835 -3.0036754 18 O -2.5347407 -0.8718087 1.1207869 -0.8879725 -2.2477375 -0.0046753 0.8827034 -0.1040835 -3.0036754 19 O -2.7100255 -0.2882705 0.1333721 -0.4154850 -2.5509983 -0.0896870 0.0740087 -0.0169784 -2.4081488 20 O -2.7100255 0.2882705 -0.1333721 0.4154850 -2.5509983 -0.0896870 -0.0740087 -0.0169784 -2.4081488 21 O -2.7100255 -0.2882705 -0.1333721 -0.4154850 -2.5509983 0.0896870 -0.0740087 0.0169784 -2.4081488 22 O -2.7100255 0.2882705 0.1333721 0.4154850 -2.5509983 0.0896870 0.0740087 0.0169784 -2.4081488 23 O -2.5347407 0.8718087 1.1207869 0.8879725 -2.2477375 0.0046753 0.8827034 0.1040835 -3.0036754 24 O -2.5347407 -0.8718087 -1.1207869 -0.8879725 -2.2477375 0.0046753 -0.8827034 0.1040835 -3.0036754 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (zzz) -0.00000003 (zzz) -0.00000003 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 5 ] 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: 0.64, Number of G-points: 305, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/108) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 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 2.416 ( 0.000 0.000 0.000) 0.000 3.094 ( 0.000 0.000 0.000) 0.000 3.153 ( 0.000 0.000 0.000) 0.000 3.305 ( 0.000 0.000 0.000) 0.000 3.396 ( 0.000 0.000 0.000) 0.000 3.537 ( 0.000 0.000 0.000) 0.000 3.695 ( 0.000 0.000 0.000) 0.000 3.794 ( 0.000 0.000 0.000) 0.000 4.001 ( 0.000 0.000 0.000) 0.000 4.096 ( 0.000 0.000 0.000) 0.000 4.155 ( 0.000 0.000 0.000) 0.000 4.298 ( 0.000 0.000 0.000) 0.000 4.536 ( 0.000 0.000 0.000) 0.000 4.927 ( 0.000 0.000 0.000) 0.000 5.630 ( 0.000 0.000 0.000) 0.000 5.793 ( 0.000 0.000 0.000) 0.000 6.012 ( 0.000 0.000 0.000) 0.000 6.188 ( 0.000 0.000 0.000) 0.000 6.413 ( 0.000 0.000 0.000) 0.000 6.891 ( 0.000 0.000 0.000) 0.000 7.127 ( 0.000 0.000 0.000) 0.000 7.286 ( 0.000 0.000 0.000) 0.000 7.388 ( 0.000 0.000 0.000) 0.000 7.526 ( 0.000 0.000 0.000) 0.000 7.733 ( 0.000 0.000 0.000) 0.000 7.782 ( 0.000 0.000 0.000) 0.000 7.983 ( 0.000 0.000 0.000) 0.000 8.592 ( 0.000 0.000 0.000) 0.000 8.973 ( 0.000 0.000 0.000) 0.000 9.063 ( 0.000 0.000 0.000) 0.000 9.145 ( 0.000 0.000 0.000) 0.000 9.526 ( 0.000 0.000 0.000) 0.000 9.677 ( 0.000 0.000 0.000) 0.000 9.838 ( 0.000 0.000 0.000) 0.000 10.363 ( 0.000 0.000 0.000) 0.000 10.634 ( 0.000 0.000 0.000) 0.000 11.123 ( 0.000 0.000 0.000) 0.000 11.275 ( 0.000 0.000 0.000) 0.000 11.439 ( 0.000 0.000 0.000) 0.000 11.794 ( 0.000 0.000 0.000) 0.000 11.894 ( 0.000 0.000 0.000) 0.000 11.993 ( 0.000 0.000 0.000) 0.000 12.823 ( 0.000 0.000 0.000) 0.000 13.366 ( 0.000 0.000 0.000) 0.000 14.231 ( 0.000 0.000 0.000) 0.000 14.286 ( 0.000 0.000 0.000) 0.000 15.174 ( 0.000 0.000 0.000) 0.000 15.224 ( 0.000 0.000 0.000) 0.000 15.304 ( 0.000 0.000 0.000) 0.000 15.308 ( 0.000 0.000 0.000) 0.000 15.905 ( 0.000 0.000 0.000) 0.000 15.927 ( 0.000 0.000 0.000) 0.000 16.216 ( 0.000 0.000 0.000) 0.000 16.265 ( 0.000 0.000 0.000) 0.000 16.628 ( 0.000 0.000 0.000) 0.000 16.863 ( 0.000 0.000 0.000) 0.000 17.311 ( 0.000 0.000 0.000) 0.000 17.752 ( 0.000 0.000 0.000) 0.000 17.863 ( 0.000 0.000 0.000) 0.000 18.245 ( 0.000 0.000 0.000) 0.000 18.518 ( 0.000 0.000 0.000) 0.000 19.602 ( 0.000 0.000 0.000) 0.000 19.688 ( 0.000 0.000 0.000) 0.000 19.841 ( 0.000 0.000 0.000) 0.000 19.841 ( 0.000 0.000 0.000) 0.000 21.907 ( 0.000 0.000 0.000) 0.000 22.994 ( 0.000 0.000 0.000) 0.000 23.371 ( 0.000 0.000 0.000) 0.000 23.734 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/108) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 31.787 0.000 0.000) 31.787 0.732 ( 36.993 0.000 0.000) 36.993 1.230 ( 62.361 0.000 0.000) 62.361 2.474 ( 5.746 0.000 0.000) 5.746 3.069 ( -2.504 0.000 0.000) 2.504 3.245 ( 9.011 0.000 0.000) 9.011 3.298 ( -1.056 0.000 0.000) 1.056 3.483 ( 3.816 0.000 0.000) 3.816 3.714 ( 6.118 0.000 0.000) 6.118 3.724 ( 18.289 0.000 0.000) 18.289 3.895 ( 9.620 0.000 0.000) 9.620 4.045 ( 4.413 0.000 0.000) 4.413 4.066 ( -3.660 0.000 0.000) 3.660 4.257 ( 10.429 0.000 0.000) 10.429 4.284 ( -0.917 0.000 0.000) 0.917 4.400 ( -12.356 0.000 0.000) 12.356 4.997 ( 6.864 0.000 0.000) 6.864 5.496 ( -12.224 0.000 0.000) 12.224 5.846 ( 4.447 0.000 0.000) 4.447 5.913 ( -8.764 0.000 0.000) 8.764 6.186 ( 0.325 0.000 0.000) 0.325 6.495 ( 7.407 0.000 0.000) 7.407 7.004 ( 9.498 0.000 0.000) 9.498 7.072 ( -5.500 0.000 0.000) 5.500 7.241 ( -4.370 0.000 0.000) 4.370 7.510 ( 11.542 0.000 0.000) 11.542 7.665 ( -7.036 0.000 0.000) 7.036 7.692 ( 13.989 0.000 0.000) 13.989 7.716 ( -6.430 0.000 0.000) 6.430 8.301 ( 1.291 0.000 0.000) 1.291 8.879 ( 23.878 0.000 0.000) 23.878 9.016 ( 4.513 0.000 0.000) 4.513 9.144 ( 6.842 0.000 0.000) 6.842 9.259 ( 12.725 0.000 0.000) 12.725 9.701 ( 2.532 0.000 0.000) 2.532 9.802 ( -3.598 0.000 0.000) 3.598 10.430 ( 7.399 0.000 0.000) 7.399 10.454 ( 3.416 0.000 0.000) 3.416 10.597 ( -3.685 0.000 0.000) 3.685 11.175 ( 5.678 0.000 0.000) 5.678 11.289 ( 1.396 0.000 0.000) 1.396 11.750 ( -4.418 0.000 0.000) 4.418 11.872 ( -2.163 0.000 0.000) 2.163 11.979 ( -0.646 0.000 0.000) 0.646 12.733 ( -7.310 0.000 0.000) 7.310 13.489 ( 10.797 0.000 0.000) 10.797 14.148 ( 5.176 0.000 0.000) 5.176 14.239 ( -4.880 0.000 0.000) 4.880 14.261 ( 3.238 0.000 0.000) 3.238 15.122 ( -4.747 0.000 0.000) 4.747 15.203 ( -11.078 0.000 0.000) 11.078 15.239 ( 1.476 0.000 0.000) 1.476 15.906 ( -0.716 0.000 0.000) 0.716 15.949 ( 2.125 0.000 0.000) 2.125 16.134 ( -7.536 0.000 0.000) 7.536 16.288 ( 2.243 0.000 0.000) 2.243 16.528 ( -10.216 0.000 0.000) 10.216 16.775 ( -8.749 0.000 0.000) 8.749 17.226 ( 2.313 0.000 0.000) 2.313 17.256 ( -19.320 0.000 0.000) 19.320 17.281 ( -2.870 0.000 0.000) 2.870 18.441 ( -7.597 0.000 0.000) 7.597 18.550 ( 34.815 0.000 0.000) 34.815 18.926 ( -36.208 0.000 0.000) 36.208 19.361 ( -20.849 0.000 0.000) 20.849 20.273 ( 31.226 0.000 0.000) 31.226 20.307 ( 22.741 0.000 0.000) 22.741 21.916 ( 0.709 0.000 0.000) 0.709 22.011 ( 1.473 0.000 0.000) 1.473 22.977 ( -1.810 0.000 0.000) 1.810 23.281 ( -9.245 0.000 0.000) 9.245 23.641 ( -9.348 0.000 0.000) 9.348 ======================= Grid point 2 (3/108) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 31.654 0.000 0.000) 31.654 1.430 ( 34.485 0.000 0.000) 34.485 2.404 ( 56.060 0.000 0.000) 56.060 2.633 ( 11.894 0.000 0.000) 11.894 3.000 ( -4.286 0.000 0.000) 4.286 3.243 ( -5.193 0.000 0.000) 5.193 3.449 ( -4.045 0.000 0.000) 4.045 3.473 ( 13.050 0.000 0.000) 13.050 3.941 ( -7.384 0.000 0.000) 7.384 3.951 ( 12.033 0.000 0.000) 12.033 4.070 ( 4.070 0.000 0.000) 4.070 4.122 ( -14.892 0.000 0.000) 14.892 4.169 ( 9.443 0.000 0.000) 9.443 4.210 ( 26.828 0.000 0.000) 26.828 4.353 ( 12.289 0.000 0.000) 12.289 4.572 ( 22.360 0.000 0.000) 22.360 5.180 ( 11.421 0.000 0.000) 11.421 5.235 ( -12.241 0.000 0.000) 12.241 5.721 ( -10.055 0.000 0.000) 10.055 5.930 ( 3.637 0.000 0.000) 3.637 6.218 ( 3.110 0.000 0.000) 3.110 6.661 ( 8.992 0.000 0.000) 8.992 6.922 ( -9.601 0.000 0.000) 9.601 7.117 ( -8.326 0.000 0.000) 8.326 7.138 ( -0.118 0.000 0.000) 0.118 7.469 ( -12.553 0.000 0.000) 12.553 7.577 ( -5.164 0.000 0.000) 5.164 7.791 ( 16.351 0.000 0.000) 16.351 7.913 ( 5.684 0.000 0.000) 5.684 8.405 ( 8.688 0.000 0.000) 8.688 9.151 ( 9.408 0.000 0.000) 9.408 9.251 ( 2.144 0.000 0.000) 2.144 9.387 ( 25.403 0.000 0.000) 25.403 9.658 ( 26.591 0.000 0.000) 26.591 9.704 ( -6.175 0.000 0.000) 6.175 9.777 ( 5.309 0.000 0.000) 5.309 10.501 ( -5.868 0.000 0.000) 5.868 10.550 ( 5.756 0.000 0.000) 5.756 10.681 ( 19.335 0.000 0.000) 19.335 11.313 ( 0.035 0.000 0.000) 0.035 11.370 ( 14.754 0.000 0.000) 14.754 11.630 ( -7.623 0.000 0.000) 7.623 11.818 ( -3.074 0.000 0.000) 3.074 12.039 ( 9.877 0.000 0.000) 9.877 12.608 ( -3.979 0.000 0.000) 3.979 13.726 ( 12.426 0.000 0.000) 12.426 14.094 ( -10.151 0.000 0.000) 10.151 14.289 ( 9.112 0.000 0.000) 9.112 14.372 ( 8.834 0.000 0.000) 8.834 14.885 ( -20.371 0.000 0.000) 20.371 15.018 ( -5.379 0.000 0.000) 5.379 15.277 ( 2.282 0.000 0.000) 2.282 15.846 ( -5.979 0.000 0.000) 5.979 15.979 ( -7.961 0.000 0.000) 7.961 16.006 ( 3.603 0.000 0.000) 3.603 16.242 ( -18.168 0.000 0.000) 18.168 16.297 ( -6.123 0.000 0.000) 6.123 16.577 ( -7.010 0.000 0.000) 7.010 17.016 ( -7.438 0.000 0.000) 7.438 17.209 ( -4.142 0.000 0.000) 4.142 17.287 ( 3.702 0.000 0.000) 3.702 18.238 ( -33.748 0.000 0.000) 33.748 18.246 ( -11.721 0.000 0.000) 11.721 18.579 ( -26.921 0.000 0.000) 26.921 19.572 ( 37.033 0.000 0.000) 37.033 20.731 ( 21.092 0.000 0.000) 21.092 20.831 ( 25.784 0.000 0.000) 25.784 21.926 ( 0.062 0.000 0.000) 0.062 22.057 ( 3.446 0.000 0.000) 3.446 22.923 ( -3.813 0.000 0.000) 3.813 23.018 ( -17.380 0.000 0.000) 17.380 23.386 ( -16.366 0.000 0.000) 16.366 ======================= Grid point 3 (4/108) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 30.828 0.000 0.000) 30.828 2.067 ( 30.692 0.000 0.000) 30.692 2.828 ( 12.029 0.000 0.000) 12.029 2.917 ( -3.841 0.000 0.000) 3.841 3.100 ( -8.556 0.000 0.000) 8.556 3.378 ( -3.505 0.000 0.000) 3.505 3.475 ( 47.571 0.000 0.000) 47.571 3.657 ( 2.559 0.000 0.000) 2.559 3.751 ( -11.280 0.000 0.000) 11.280 3.853 ( -12.157 0.000 0.000) 12.157 4.017 ( -6.537 0.000 0.000) 6.537 4.128 ( 6.517 0.000 0.000) 6.517 4.380 ( 13.868 0.000 0.000) 13.868 4.717 ( 21.342 0.000 0.000) 21.342 4.763 ( 26.905 0.000 0.000) 26.905 5.062 ( 16.180 0.000 0.000) 16.180 5.156 ( 15.651 0.000 0.000) 15.651 5.408 ( 10.741 0.000 0.000) 10.741 5.552 ( -6.240 0.000 0.000) 6.240 5.984 ( 2.278 0.000 0.000) 2.278 6.295 ( 3.999 0.000 0.000) 3.999 6.705 ( -12.808 0.000 0.000) 12.808 6.839 ( 9.573 0.000 0.000) 9.573 6.909 ( -21.167 0.000 0.000) 21.167 6.917 ( -12.193 0.000 0.000) 12.193 7.210 ( -12.474 0.000 0.000) 12.474 7.549 ( -1.099 0.000 0.000) 1.099 7.891 ( -7.181 0.000 0.000) 7.181 8.120 ( 17.042 0.000 0.000) 17.042 8.614 ( 12.268 0.000 0.000) 12.268 9.201 ( -6.793 0.000 0.000) 6.793 9.361 ( 9.169 0.000 0.000) 9.169 9.596 ( -1.875 0.000 0.000) 1.875 9.789 ( 15.474 0.000 0.000) 15.474 9.906 ( 7.693 0.000 0.000) 7.693 10.108 ( 15.206 0.000 0.000) 15.206 10.382 ( -6.048 0.000 0.000) 6.048 10.622 ( -0.214 0.000 0.000) 0.214 11.243 ( 38.514 0.000 0.000) 38.514 11.265 ( -4.193 0.000 0.000) 4.193 11.469 ( -8.502 0.000 0.000) 8.502 11.694 ( 15.275 0.000 0.000) 15.275 11.765 ( -1.965 0.000 0.000) 1.965 12.469 ( 34.512 0.000 0.000) 34.512 12.649 ( 10.416 0.000 0.000) 10.416 13.840 ( -16.006 0.000 0.000) 16.006 13.950 ( 10.751 0.000 0.000) 10.751 14.467 ( -21.655 0.000 0.000) 21.655 14.494 ( 11.682 0.000 0.000) 11.682 14.638 ( 19.006 0.000 0.000) 19.006 14.926 ( -4.003 0.000 0.000) 4.003 15.317 ( 1.458 0.000 0.000) 1.458 15.653 ( -15.064 0.000 0.000) 15.064 15.680 ( -25.770 0.000 0.000) 25.770 15.964 ( -22.785 0.000 0.000) 22.785 15.977 ( -6.210 0.000 0.000) 6.210 16.083 ( 4.186 0.000 0.000) 4.186 16.595 ( 5.079 0.000 0.000) 5.079 16.886 ( -7.696 0.000 0.000) 7.696 17.137 ( -2.812 0.000 0.000) 2.812 17.344 ( -0.107 0.000 0.000) 0.107 17.660 ( -22.576 0.000 0.000) 22.576 17.983 ( -31.271 0.000 0.000) 31.271 18.012 ( -11.629 0.000 0.000) 11.629 20.325 ( 38.009 0.000 0.000) 38.009 21.140 ( 21.225 0.000 0.000) 21.225 21.269 ( 18.964 0.000 0.000) 18.964 21.910 ( -1.766 0.000 0.000) 1.766 22.151 ( 6.349 0.000 0.000) 6.349 22.622 ( -22.735 0.000 0.000) 22.735 22.826 ( -6.128 0.000 0.000) 6.128 23.016 ( -21.468 0.000 0.000) 21.468 ======================= Grid point 4 (5/108) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 27.569 0.000 0.000) 27.569 2.620 ( 26.029 0.000 0.000) 26.029 2.873 ( 0.114 0.000 0.000) 0.114 2.940 ( -7.372 0.000 0.000) 7.372 3.069 ( 12.281 0.000 0.000) 12.281 3.283 ( -7.772 0.000 0.000) 7.772 3.472 ( -15.712 0.000 0.000) 15.712 3.568 ( -9.362 0.000 0.000) 9.362 3.665 ( -6.835 0.000 0.000) 6.835 3.775 ( -14.304 0.000 0.000) 14.304 4.185 ( 21.302 0.000 0.000) 21.302 4.319 ( 9.665 0.000 0.000) 9.665 4.776 ( 25.785 0.000 0.000) 25.785 5.043 ( 8.426 0.000 0.000) 8.426 5.208 ( 19.998 0.000 0.000) 19.998 5.246 ( 10.845 0.000 0.000) 10.845 5.536 ( 1.001 0.000 0.000) 1.001 5.576 ( 12.073 0.000 0.000) 12.073 5.688 ( 26.997 0.000 0.000) 26.997 6.046 ( 4.531 0.000 0.000) 4.531 6.341 ( 0.340 0.000 0.000) 0.340 6.394 ( -30.625 0.000 0.000) 30.625 6.400 ( -19.145 0.000 0.000) 19.145 6.645 ( -15.482 0.000 0.000) 15.482 7.057 ( 13.321 0.000 0.000) 13.321 7.072 ( 0.403 0.000 0.000) 0.403 7.447 ( -9.562 0.000 0.000) 9.562 7.670 ( -14.655 0.000 0.000) 14.655 8.446 ( 16.212 0.000 0.000) 16.212 8.865 ( 13.127 0.000 0.000) 13.127 9.012 ( -12.090 0.000 0.000) 12.090 9.320 ( -8.944 0.000 0.000) 8.944 9.807 ( 18.414 0.000 0.000) 18.414 10.016 ( 8.700 0.000 0.000) 8.700 10.064 ( 8.122 0.000 0.000) 8.122 10.249 ( 1.146 0.000 0.000) 1.146 10.271 ( -5.353 0.000 0.000) 5.353 10.501 ( -12.007 0.000 0.000) 12.007 11.203 ( -1.284 0.000 0.000) 1.284 11.317 ( -6.646 0.000 0.000) 6.646 11.751 ( 0.525 0.000 0.000) 0.525 11.786 ( 4.205 0.000 0.000) 4.205 12.157 ( 42.273 0.000 0.000) 42.273 13.028 ( 25.944 0.000 0.000) 25.944 13.295 ( 47.233 0.000 0.000) 47.233 13.465 ( -22.747 0.000 0.000) 22.747 14.042 ( -22.686 0.000 0.000) 22.686 14.181 ( 14.292 0.000 0.000) 14.292 14.731 ( 12.079 0.000 0.000) 12.079 14.815 ( -12.199 0.000 0.000) 12.199 15.099 ( 27.133 0.000 0.000) 27.133 15.102 ( -31.056 0.000 0.000) 31.056 15.207 ( -25.883 0.000 0.000) 25.883 15.332 ( 0.549 0.000 0.000) 0.549 15.592 ( -14.442 0.000 0.000) 14.442 15.873 ( -6.980 0.000 0.000) 6.980 16.171 ( 5.240 0.000 0.000) 5.240 16.655 ( -16.682 0.000 0.000) 16.682 16.709 ( 6.497 0.000 0.000) 6.497 17.117 ( 1.073 0.000 0.000) 1.073 17.119 ( -16.437 0.000 0.000) 16.437 17.454 ( -20.651 0.000 0.000) 20.651 17.542 ( 4.004 0.000 0.000) 4.004 17.808 ( -9.240 0.000 0.000) 9.240 21.024 ( 33.455 0.000 0.000) 33.455 21.568 ( 11.936 0.000 0.000) 11.936 21.572 ( 23.485 0.000 0.000) 23.485 21.854 ( -4.065 0.000 0.000) 4.065 22.149 ( -25.572 0.000 0.000) 25.572 22.306 ( 9.350 0.000 0.000) 9.350 22.559 ( -25.087 0.000 0.000) 25.087 22.683 ( -8.516 0.000 0.000) 8.516 ======================= Grid point 5 (6/108) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( -8.517 0.000 0.000) 8.517 2.807 ( 8.517 0.000 0.000) 8.517 3.019 ( -16.969 0.000 0.000) 16.969 3.019 ( 16.969 0.000 0.000) 16.969 3.071 ( -19.229 0.000 0.000) 19.229 3.071 ( 19.229 0.000 0.000) 19.229 3.356 ( -10.614 0.000 0.000) 10.614 3.356 ( 10.614 0.000 0.000) 10.614 3.607 ( -1.832 0.000 0.000) 1.832 3.607 ( 1.832 0.000 0.000) 1.832 4.399 ( -2.741 0.000 0.000) 2.741 4.399 ( 2.741 0.000 0.000) 2.741 5.076 ( -3.784 0.000 0.000) 3.784 5.076 ( 3.784 0.000 0.000) 3.784 5.450 ( -8.692 0.000 0.000) 8.692 5.450 ( 8.692 0.000 0.000) 8.692 5.723 ( -30.246 0.000 0.000) 30.246 5.723 ( 30.246 0.000 0.000) 30.246 5.986 ( -19.604 0.000 0.000) 19.604 5.986 ( 19.604 0.000 0.000) 19.604 6.077 ( -7.838 0.000 0.000) 7.838 6.077 ( 7.838 0.000 0.000) 7.838 6.370 ( -7.996 0.000 0.000) 7.996 6.370 ( 7.996 0.000 0.000) 7.996 7.217 ( -12.123 0.000 0.000) 12.123 7.217 ( 12.123 0.000 0.000) 12.123 7.355 ( -16.650 0.000 0.000) 16.650 7.355 ( 16.650 0.000 0.000) 16.650 8.748 ( -14.715 0.000 0.000) 14.715 8.748 ( 14.715 0.000 0.000) 14.715 9.112 ( -11.977 0.000 0.000) 11.977 9.112 ( 11.977 0.000 0.000) 11.977 10.137 ( -1.654 0.000 0.000) 1.654 10.137 ( 1.654 0.000 0.000) 1.654 10.201 ( -5.351 0.000 0.000) 5.351 10.201 ( 5.351 0.000 0.000) 5.351 10.208 ( -11.092 0.000 0.000) 11.092 10.208 ( 11.092 0.000 0.000) 11.092 11.221 ( -3.033 0.000 0.000) 3.033 11.221 ( 3.033 0.000 0.000) 3.033 11.780 ( -2.013 0.000 0.000) 2.013 11.780 ( 2.013 0.000 0.000) 2.013 12.925 ( -33.717 0.000 0.000) 33.717 12.925 ( 33.717 0.000 0.000) 33.717 13.559 ( -26.914 0.000 0.000) 26.914 13.559 ( 26.914 0.000 0.000) 26.914 14.208 ( -44.062 0.000 0.000) 44.062 14.208 ( 44.062 0.000 0.000) 44.062 14.549 ( -24.124 0.000 0.000) 24.124 14.549 ( 24.124 0.000 0.000) 24.124 14.933 ( -8.343 0.000 0.000) 8.343 14.933 ( 8.343 0.000 0.000) 8.343 15.384 ( -6.364 0.000 0.000) 6.364 15.384 ( 6.364 0.000 0.000) 6.364 15.608 ( -21.774 0.000 0.000) 21.774 15.608 ( 21.774 0.000 0.000) 21.774 16.329 ( -12.823 0.000 0.000) 12.823 16.329 ( 12.823 0.000 0.000) 12.823 16.863 ( -9.902 0.000 0.000) 9.902 16.863 ( 9.902 0.000 0.000) 9.902 17.194 ( -7.495 0.000 0.000) 7.495 17.194 ( 7.495 0.000 0.000) 7.495 17.652 ( -6.842 0.000 0.000) 6.842 17.652 ( 6.842 0.000 0.000) 6.842 21.625 ( -28.528 0.000 0.000) 28.528 21.625 ( 28.528 0.000 0.000) 28.528 21.748 ( -7.016 0.000 0.000) 7.016 21.748 ( 7.016 0.000 0.000) 7.016 22.057 ( -25.922 0.000 0.000) 25.922 22.057 ( 25.922 0.000 0.000) 25.922 22.500 ( -10.080 0.000 0.000) 10.080 22.500 ( 10.080 0.000 0.000) 10.080 ======================= Grid point 11 (7/108) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 0.000 27.714 0.000) 27.714 0.615 ( 0.000 31.993 0.000) 31.993 1.114 ( 0.000 57.484 0.000) 57.484 2.546 ( 0.000 12.773 0.000) 12.773 3.087 ( 0.000 -1.273 0.000) 1.273 3.153 ( 0.000 6.143 0.000) 6.143 3.366 ( 0.000 5.820 0.000) 5.820 3.653 ( 0.000 20.531 0.000) 20.531 3.661 ( 0.000 -3.608 0.000) 3.608 3.734 ( 0.000 18.461 0.000) 18.461 3.775 ( 0.000 -1.544 0.000) 1.544 3.934 ( 0.000 -12.228 0.000) 12.228 3.947 ( 0.000 -4.352 0.000) 4.352 4.183 ( 0.000 3.019 0.000) 3.019 4.323 ( 0.000 2.506 0.000) 2.506 4.750 ( 0.000 17.634 0.000) 17.634 4.989 ( 0.000 4.269 0.000) 4.269 5.633 ( 0.000 0.516 0.000) 0.516 5.782 ( 0.000 -0.979 0.000) 0.979 6.024 ( 0.000 1.092 0.000) 1.092 6.121 ( 0.000 -4.660 0.000) 4.660 6.350 ( 0.000 -5.807 0.000) 5.807 7.023 ( 0.000 -10.288 0.000) 10.288 7.194 ( 0.000 25.461 0.000) 25.461 7.263 ( 0.000 -2.992 0.000) 2.992 7.387 ( 0.000 -0.157 0.000) 0.157 7.561 ( 0.000 -9.803 0.000) 9.803 7.748 ( 0.000 -2.638 0.000) 2.638 7.932 ( 0.000 -5.356 0.000) 5.356 8.018 ( 0.000 13.987 0.000) 13.987 8.662 ( 0.000 7.319 0.000) 7.319 9.057 ( 0.000 -0.663 0.000) 0.663 9.104 ( 0.000 14.274 0.000) 14.274 9.269 ( 0.000 1.517 0.000) 1.517 9.551 ( 0.000 2.374 0.000) 2.374 9.769 ( 0.000 -6.971 0.000) 6.971 9.958 ( 0.000 28.504 0.000) 28.504 10.331 ( 0.000 -3.225 0.000) 3.225 10.768 ( 0.000 14.118 0.000) 14.118 11.441 ( 0.000 16.235 0.000) 16.235 11.450 ( 0.000 1.210 0.000) 1.210 11.756 ( 0.000 -2.451 0.000) 2.451 11.998 ( 0.000 1.019 0.000) 1.019 12.017 ( 0.000 10.858 0.000) 10.858 12.812 ( 0.000 -1.175 0.000) 1.175 13.236 ( 0.000 0.751 0.000) 0.751 13.967 ( 0.000 -0.074 0.000) 0.074 14.322 ( 0.000 3.679 0.000) 3.679 15.048 ( 0.000 -12.547 0.000) 12.547 15.267 ( 0.000 -3.889 0.000) 3.889 15.267 ( 0.000 4.405 0.000) 4.405 15.299 ( 0.000 -0.903 0.000) 0.903 15.851 ( 0.000 -5.542 0.000) 5.542 15.876 ( 0.000 -5.294 0.000) 5.294 16.152 ( 0.000 -6.981 0.000) 6.981 16.186 ( 0.000 -8.170 0.000) 8.170 16.636 ( 0.000 0.710 0.000) 0.710 16.858 ( 0.000 -0.770 0.000) 0.770 17.228 ( 0.000 -8.477 0.000) 8.477 17.696 ( 0.000 -5.477 0.000) 5.477 17.942 ( 0.000 8.137 0.000) 8.137 18.285 ( 0.000 4.020 0.000) 4.020 18.561 ( 0.000 4.208 0.000) 4.208 19.289 ( 0.000 -2.195 0.000) 2.195 19.593 ( 0.000 -1.093 0.000) 1.093 19.673 ( 0.000 -1.625 0.000) 1.625 19.804 ( 0.000 -3.808 0.000) 3.808 19.833 ( 0.000 -1.028 0.000) 1.028 21.927 ( 0.000 2.043 0.000) 2.043 22.963 ( 0.000 -3.249 0.000) 3.249 23.373 ( 0.000 0.152 0.000) 0.152 23.835 ( 0.000 -6.283 0.000) 6.283 ======================= Grid point 12 (8/108) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 21.775 22.274 0.000) 31.149 0.902 ( 30.061 16.143 0.000) 34.121 1.658 ( 45.174 37.071 0.000) 58.437 2.591 ( 4.877 11.904 0.000) 12.864 3.130 ( -2.383 6.418 0.000) 6.847 3.145 ( 5.003 -3.782 0.000) 6.272 3.380 ( 1.980 6.058 0.000) 6.373 3.572 ( -5.425 1.436 0.000) 5.612 3.814 ( 11.654 13.239 0.000) 17.638 3.875 ( 3.120 -2.957 0.000) 4.299 3.875 ( 10.101 -1.760 0.000) 10.254 3.908 ( 7.341 3.577 0.000) 8.166 3.995 ( 5.062 -1.432 0.000) 5.261 4.205 ( 0.292 -1.106 0.000) 1.144 4.390 ( 9.181 6.869 0.000) 11.466 4.628 ( -10.728 17.764 0.000) 20.752 5.046 ( 6.144 4.751 0.000) 7.767 5.501 ( -12.129 0.565 0.000) 12.142 5.834 ( 4.299 -1.125 0.000) 4.444 5.906 ( -9.031 -0.867 0.000) 9.072 6.160 ( 3.065 -2.559 0.000) 3.993 6.463 ( 8.963 -2.250 0.000) 9.241 6.975 ( -4.712 -9.513 0.000) 10.616 7.174 ( 0.569 12.847 0.000) 12.860 7.217 ( -4.817 -3.224 0.000) 5.796 7.511 ( -1.665 -7.998 0.000) 8.169 7.544 ( 9.759 2.742 0.000) 10.137 7.710 ( -1.385 1.953 0.000) 2.394 7.872 ( 3.261 5.745 0.000) 6.605 8.254 ( 7.761 0.678 0.000) 7.790 8.896 ( 21.172 2.960 0.000) 21.378 9.153 ( 5.087 14.681 0.000) 15.537 9.160 ( 9.939 1.744 0.000) 10.091 9.313 ( 11.655 4.282 0.000) 12.417 9.736 ( -3.237 -6.238 0.000) 7.028 9.984 ( 2.624 28.246 0.000) 28.368 10.078 ( 26.484 -14.570 0.000) 30.227 10.440 ( 12.279 -3.797 0.000) 12.853 10.737 ( -3.062 14.825 0.000) 15.138 11.282 ( -6.182 11.676 0.000) 13.212 11.552 ( 2.857 13.122 0.000) 13.430 11.708 ( -4.811 -2.810 0.000) 5.571 11.996 ( -2.056 10.952 0.000) 11.143 12.001 ( 1.374 2.688 0.000) 3.019 12.724 ( -6.172 -0.014 0.000) 6.172 13.439 ( 15.506 -2.711 0.000) 15.741 13.935 ( -1.480 -3.948 0.000) 4.216 14.275 ( -4.829 3.666 0.000) 6.063 14.800 ( -19.545 19.804 0.000) 27.825 14.954 ( -9.533 -14.005 0.000) 16.941 15.242 ( -5.708 1.099 0.000) 5.813 15.304 ( 1.067 6.391 0.000) 6.479 15.842 ( -1.572 -6.310 0.000) 6.502 15.898 ( 2.345 -5.174 0.000) 5.681 16.104 ( -5.117 -3.814 0.000) 6.383 16.207 ( 2.754 -8.479 0.000) 8.915 16.538 ( -9.835 1.042 0.000) 9.890 16.763 ( -9.308 -1.375 0.000) 9.409 17.196 ( -2.902 -7.879 0.000) 8.397 17.268 ( -19.843 1.279 0.000) 19.884 17.455 ( -16.674 17.867 0.000) 24.439 18.334 ( 3.672 -6.436 0.000) 7.410 18.679 ( 20.075 8.835 0.000) 21.933 18.897 ( -35.882 -3.015 0.000) 36.008 19.345 ( -19.397 -1.610 0.000) 19.464 20.254 ( 31.037 -2.028 0.000) 31.103 20.282 ( 22.576 -2.570 0.000) 22.722 21.007 ( 59.062 -58.462 0.000) 83.103 21.935 ( 0.700 2.028 0.000) 2.145 22.947 ( -1.726 -3.159 0.000) 3.599 23.292 ( -8.526 0.301 0.000) 8.531 23.688 ( -12.631 -1.823 0.000) 12.762 ======================= Grid point 13 (9/108) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 27.957 11.697 0.000) 30.305 1.522 ( 32.059 9.204 0.000) 33.354 2.617 ( 49.123 17.956 0.000) 52.302 2.726 ( 8.569 10.214 0.000) 13.332 3.072 ( -2.084 8.625 0.000) 8.873 3.205 ( -0.867 -3.032 0.000) 3.154 3.453 ( -4.323 -1.113 0.000) 4.464 3.479 ( 7.007 2.296 0.000) 7.374 3.756 ( -8.296 -12.324 0.000) 14.856 4.017 ( 5.902 6.235 0.000) 8.585 4.100 ( 7.658 -6.734 0.000) 10.198 4.120 ( 8.432 4.316 0.000) 9.473 4.228 ( 9.463 -8.744 0.000) 12.884 4.240 ( 5.513 10.887 0.000) 12.203 4.468 ( 6.240 20.408 0.000) 21.340 4.707 ( 22.410 9.806 0.000) 24.461 5.219 ( 10.954 3.786 0.000) 11.590 5.238 ( -12.286 0.341 0.000) 12.291 5.729 ( -8.338 0.618 0.000) 8.361 5.905 ( 2.458 -2.506 0.000) 3.511 6.238 ( 4.983 1.426 0.000) 5.183 6.638 ( 8.298 -1.000 0.000) 8.358 6.853 ( -7.427 -6.792 0.000) 10.064 7.070 ( -10.314 -5.062 0.000) 11.489 7.176 ( -3.981 2.808 0.000) 4.872 7.418 ( -7.639 -4.160 0.000) 8.698 7.539 ( -3.128 -2.997 0.000) 4.332 7.891 ( 14.458 9.190 0.000) 17.132 7.977 ( 3.856 3.527 0.000) 5.226 8.396 ( 7.903 1.381 0.000) 8.023 9.199 ( 5.738 -3.262 0.000) 6.600 9.299 ( 9.476 14.730 0.000) 17.515 9.486 ( 22.228 8.220 0.000) 23.699 9.654 ( -4.631 -4.346 0.000) 6.351 9.723 ( 28.787 5.719 0.000) 29.350 10.057 ( 4.781 27.935 0.000) 28.342 10.462 ( 16.801 -3.947 0.000) 17.259 10.656 ( -4.986 16.614 0.000) 17.346 10.790 ( 22.247 2.479 0.000) 22.385 11.235 ( 0.661 4.974 0.000) 5.018 11.574 ( 0.776 10.798 0.000) 10.826 11.579 ( -7.986 -3.643 0.000) 8.777 11.944 ( -3.048 11.199 0.000) 11.606 12.130 ( 14.106 9.411 0.000) 16.958 12.625 ( -3.069 2.072 0.000) 3.703 13.713 ( 10.701 -1.141 0.000) 10.762 14.011 ( 11.430 -13.500 0.000) 17.689 14.132 ( -9.966 3.865 0.000) 10.690 14.653 ( 0.849 12.987 0.000) 13.015 14.684 ( -17.604 -15.421 0.000) 23.403 15.107 ( -7.115 4.198 0.000) 8.261 15.330 ( 1.572 5.409 0.000) 5.633 15.769 ( -6.317 -6.879 0.000) 9.340 15.963 ( 4.091 -4.477 0.000) 6.065 15.987 ( -6.366 -0.934 0.000) 6.434 16.213 ( -10.704 -4.953 0.000) 11.794 16.290 ( -10.853 1.078 0.000) 10.906 16.546 ( -9.232 -3.258 0.000) 9.790 17.003 ( -8.784 -0.981 0.000) 8.838 17.131 ( -3.594 -7.656 0.000) 8.458 17.340 ( -0.277 4.706 0.000) 4.714 18.196 ( -11.994 -4.866 0.000) 12.943 18.210 ( -33.792 -2.849 0.000) 33.912 18.578 ( -27.196 -0.381 0.000) 27.198 19.596 ( 36.002 2.428 0.000) 36.083 20.702 ( 20.701 -3.084 0.000) 20.929 20.808 ( 25.572 -2.395 0.000) 25.684 21.659 ( 18.154 -33.194 0.000) 37.834 21.945 ( 0.092 2.031 0.000) 2.033 22.895 ( -3.670 -2.919 0.000) 4.689 23.041 ( -16.888 1.143 0.000) 16.927 23.394 ( -17.196 -0.791 0.000) 17.214 ======================= Grid point 14 (10/108) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 28.802 5.937 0.000) 29.408 2.120 ( 29.017 5.474 0.000) 29.529 2.887 ( 4.212 3.549 0.000) 5.508 2.979 ( 3.310 7.522 0.000) 8.218 3.110 ( -7.466 1.087 0.000) 7.544 3.376 ( -3.032 -0.793 0.000) 3.134 3.525 ( 9.339 -3.200 0.000) 9.872 3.631 ( 4.478 -2.721 0.000) 5.240 3.653 ( 23.222 5.486 0.000) 23.861 4.001 ( -6.317 0.990 0.000) 6.394 4.042 ( -13.426 12.030 0.000) 18.027 4.159 ( -0.158 1.159 0.000) 1.170 4.319 ( 14.551 -6.176 0.000) 15.807 4.571 ( 19.503 -11.376 0.000) 22.578 4.869 ( 22.280 10.932 0.000) 24.817 5.114 ( 7.235 -4.074 0.000) 8.303 5.202 ( 18.433 10.374 0.000) 21.152 5.436 ( 10.016 2.420 0.000) 10.304 5.628 ( 1.025 6.974 0.000) 7.048 5.930 ( 0.628 -5.184 0.000) 5.222 6.344 ( 5.221 4.578 0.000) 6.944 6.698 ( -8.868 -0.617 0.000) 8.890 6.737 ( -3.108 -5.243 0.000) 6.096 6.827 ( -13.368 -7.859 0.000) 15.508 6.987 ( -8.525 4.235 0.000) 9.519 7.250 ( -8.770 2.824 0.000) 9.213 7.530 ( -0.349 -1.566 0.000) 1.604 7.940 ( -7.673 4.335 0.000) 8.812 8.174 ( 14.555 4.972 0.000) 15.380 8.584 ( 11.281 -2.232 0.000) 11.500 9.189 ( -5.204 -1.230 0.000) 5.348 9.428 ( -1.462 2.114 0.000) 2.570 9.650 ( 9.340 9.096 0.000) 13.038 9.852 ( 13.848 5.745 0.000) 14.992 10.167 ( 6.303 26.466 0.000) 27.206 10.250 ( 20.126 13.333 0.000) 24.141 10.553 ( -5.286 18.762 0.000) 19.492 10.726 ( 7.641 9.081 0.000) 11.868 11.214 ( -3.021 -1.824 0.000) 3.529 11.331 ( 33.664 6.508 0.000) 34.287 11.417 ( -8.113 -3.953 0.000) 9.025 11.705 ( 13.141 2.922 0.000) 13.462 11.888 ( -2.457 11.159 0.000) 11.426 12.574 ( 27.200 10.024 0.000) 28.988 12.677 ( 14.425 3.264 0.000) 14.790 13.881 ( -16.046 4.186 0.000) 16.583 13.887 ( 9.356 -6.178 0.000) 11.211 14.308 ( -20.109 -14.320 0.000) 24.687 14.347 ( 20.550 -9.093 0.000) 22.472 14.765 ( 10.481 6.823 0.000) 12.506 14.990 ( -4.824 4.598 0.000) 6.665 15.356 ( 0.764 3.960 0.000) 4.033 15.555 ( -17.852 -6.536 0.000) 19.011 15.767 ( -20.455 4.940 0.000) 21.043 15.908 ( -15.357 -3.992 0.000) 15.867 15.990 ( -14.839 -0.310 0.000) 14.842 16.051 ( 4.810 -3.353 0.000) 5.863 16.538 ( 4.790 -5.795 0.000) 7.518 16.862 ( -7.358 -2.377 0.000) 7.733 17.068 ( -2.439 -7.142 0.000) 7.548 17.349 ( -2.215 0.215 0.000) 2.225 17.633 ( -22.074 -2.804 0.000) 22.251 17.879 ( -23.834 -7.487 0.000) 24.982 18.058 ( -19.572 1.489 0.000) 19.629 20.323 ( 36.739 -0.157 0.000) 36.740 21.099 ( 20.373 -4.209 0.000) 20.803 21.240 ( 18.559 -2.972 0.000) 18.796 21.911 ( 9.599 -21.043 0.000) 23.129 21.932 ( -1.531 2.218 0.000) 2.695 22.660 ( -21.306 2.246 0.000) 21.424 22.802 ( -5.910 -2.560 0.000) 6.441 23.023 ( -20.699 -0.017 0.000) 20.699 ======================= Grid point 15 (11/108) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 26.947 2.761 0.000) 27.088 2.636 ( 23.268 1.514 0.000) 23.317 2.873 ( -0.935 0.146 0.000) 0.946 2.966 ( -6.511 2.583 0.000) 7.005 3.161 ( 10.626 8.524 0.000) 13.622 3.298 ( -6.592 1.531 0.000) 6.768 3.380 ( -8.947 -6.880 0.000) 11.286 3.602 ( -5.491 1.697 0.000) 5.747 3.755 ( -15.709 -0.814 0.000) 15.730 3.780 ( -12.511 9.155 0.000) 15.504 4.174 ( 14.727 -2.269 0.000) 14.901 4.246 ( 7.038 -6.839 0.000) 9.814 4.784 ( 29.670 1.657 0.000) 29.716 4.890 ( 11.848 -11.395 0.000) 16.438 5.195 ( 12.039 -1.165 0.000) 12.095 5.355 ( 17.895 -4.945 0.000) 18.566 5.399 ( 4.255 2.421 0.000) 4.895 5.561 ( 2.423 1.973 0.000) 3.125 5.891 ( 18.451 9.801 0.000) 20.893 5.941 ( -1.137 -8.490 0.000) 8.566 6.372 ( -17.428 3.315 0.000) 17.740 6.424 ( -5.603 4.976 0.000) 7.494 6.458 ( -13.144 4.321 0.000) 13.837 6.638 ( -7.577 0.175 0.000) 7.579 7.069 ( 11.432 1.644 0.000) 11.549 7.129 ( -1.604 5.162 0.000) 5.405 7.452 ( -7.807 0.478 0.000) 7.822 7.707 ( -15.355 3.679 0.000) 15.790 8.460 ( 14.659 1.266 0.000) 14.714 8.800 ( 8.470 -5.105 0.000) 9.890 9.050 ( -6.534 2.279 0.000) 6.920 9.306 ( -8.687 -1.715 0.000) 8.855 9.930 ( 15.550 9.461 0.000) 18.202 10.044 ( 6.827 2.655 0.000) 7.325 10.288 ( 5.816 23.342 0.000) 24.056 10.465 ( 3.852 21.536 0.000) 21.878 10.467 ( -2.692 22.259 0.000) 22.421 10.694 ( -10.040 19.323 0.000) 21.776 11.171 ( 0.329 -3.389 0.000) 3.405 11.282 ( -5.434 -2.613 0.000) 6.030 11.817 ( 6.293 3.367 0.000) 7.138 11.855 ( -0.811 9.944 0.000) 9.977 12.194 ( 41.012 3.972 0.000) 41.204 12.976 ( 23.763 -3.199 0.000) 23.978 13.381 ( 44.262 7.307 0.000) 44.861 13.500 ( -23.323 3.379 0.000) 23.566 13.910 ( -21.208 -12.057 0.000) 24.396 14.129 ( 16.249 -4.875 0.000) 16.964 14.722 ( 16.371 -1.221 0.000) 16.417 14.877 ( -10.686 4.797 0.000) 11.713 15.033 ( -32.741 -4.611 0.000) 33.064 15.088 ( 22.522 -1.152 0.000) 22.551 15.304 ( -24.737 7.716 0.000) 25.912 15.358 ( 0.076 2.521 0.000) 2.522 15.552 ( -14.430 -4.148 0.000) 15.015 15.843 ( -7.645 -3.182 0.000) 8.281 16.152 ( 5.976 -1.969 0.000) 6.292 16.621 ( -6.498 -3.799 0.000) 7.527 16.679 ( -2.541 -2.884 0.000) 3.844 17.051 ( 0.135 -6.615 0.000) 6.616 17.087 ( -16.115 -3.491 0.000) 16.488 17.392 ( -20.499 -6.355 0.000) 21.462 17.528 ( 3.853 -1.523 0.000) 4.143 17.799 ( -10.040 -1.090 0.000) 10.099 20.997 ( 32.055 -2.676 0.000) 32.166 21.501 ( 20.595 -6.864 0.000) 21.708 21.525 ( 10.574 -4.334 0.000) 11.428 21.890 ( -2.058 3.392 0.000) 3.967 21.999 ( -6.244 -14.749 0.000) 16.016 22.286 ( -12.693 0.288 0.000) 12.697 22.618 ( -18.463 3.360 0.000) 18.766 22.665 ( -7.919 -1.866 0.000) 8.136 ======================= Grid point 16 (12/108) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( -6.766 3.012 0.000) 7.407 2.840 ( 6.766 3.012 0.000) 7.407 2.932 ( -5.306 -5.041 0.000) 7.319 2.932 ( 5.306 -5.041 0.000) 7.319 3.146 ( -3.697 4.319 0.000) 5.685 3.146 ( 3.697 4.319 0.000) 5.685 3.434 ( -11.873 6.372 0.000) 13.474 3.434 ( 11.873 6.372 0.000) 13.474 3.610 ( -3.256 0.945 0.000) 3.390 3.610 ( 3.256 0.945 0.000) 3.390 4.317 ( -1.297 -8.186 0.000) 8.288 4.317 ( 1.297 -8.186 0.000) 8.288 5.034 ( -2.625 -4.264 0.000) 5.007 5.034 ( 2.625 -4.264 0.000) 5.007 5.471 ( -0.752 1.410 0.000) 1.598 5.471 ( 0.752 1.410 0.000) 1.598 5.660 ( -9.865 -8.784 0.000) 13.209 5.660 ( 9.865 -8.784 0.000) 13.209 5.788 ( -2.251 -6.080 0.000) 6.483 5.788 ( 2.251 -6.080 0.000) 6.484 6.316 ( -5.646 13.379 0.000) 14.522 6.316 ( 5.646 13.379 0.000) 14.522 6.450 ( -8.403 8.189 0.000) 11.733 6.450 ( 8.403 8.189 0.000) 11.733 7.216 ( -6.906 0.746 0.000) 6.946 7.216 ( 6.906 0.746 0.000) 6.946 7.395 ( -13.525 3.597 0.000) 13.995 7.395 ( 13.525 3.597 0.000) 13.995 8.729 ( -12.164 -1.965 0.000) 12.322 8.729 ( 12.164 -1.965 0.000) 12.322 9.118 ( -9.934 0.265 0.000) 9.937 9.118 ( 9.934 0.265 0.000) 9.937 10.118 ( -1.021 0.492 0.000) 1.133 10.118 ( 1.021 0.492 0.000) 1.133 10.442 ( -12.465 23.029 0.000) 26.186 10.442 ( 12.465 23.029 0.000) 26.186 10.470 ( -1.800 25.170 0.000) 25.234 10.470 ( 1.800 25.170 0.000) 25.234 11.205 ( -2.744 -1.147 0.000) 2.974 11.205 ( 2.744 -1.147 0.000) 2.974 11.852 ( -0.076 7.189 0.000) 7.190 11.852 ( 0.076 7.189 0.000) 7.190 12.950 ( -33.874 2.291 0.000) 33.952 12.950 ( 33.874 2.291 0.000) 33.952 13.464 ( -24.671 -8.129 0.000) 25.976 13.464 ( 24.671 -8.129 0.000) 25.976 14.251 ( -43.109 3.140 0.000) 43.223 14.251 ( 43.109 3.140 0.000) 43.223 14.530 ( -24.146 -1.186 0.000) 24.175 14.530 ( 24.146 -1.186 0.000) 24.175 14.986 ( -11.442 4.704 0.000) 12.371 14.986 ( 11.442 4.704 0.000) 12.371 15.361 ( -5.145 -2.205 0.000) 5.597 15.361 ( 5.145 -2.205 0.000) 5.597 15.578 ( -20.485 -3.158 0.000) 20.727 15.578 ( 20.485 -3.158 0.000) 20.727 16.324 ( -13.203 -0.584 0.000) 13.216 16.324 ( 13.203 -0.584 0.000) 13.216 16.816 ( -10.303 -4.758 0.000) 11.349 16.816 ( 10.303 -4.758 0.000) 11.349 17.134 ( -7.460 -6.361 0.000) 9.804 17.134 ( 7.460 -6.361 0.000) 9.804 17.636 ( -6.891 -1.756 0.000) 7.111 17.636 ( 6.891 -1.756 0.000) 7.111 21.536 ( -19.168 -7.279 0.000) 20.503 21.536 ( 19.168 -7.279 0.000) 20.503 21.752 ( -4.324 -3.225 0.000) 5.395 21.752 ( 4.324 -3.225 0.000) 5.395 22.014 ( -18.028 -1.808 0.000) 18.118 22.014 ( 18.028 -1.808 0.000) 18.118 22.514 ( -6.008 0.894 0.000) 6.074 22.514 ( 6.008 0.894 0.000) 6.074 ======================= Grid point 22 (13/108) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 0.000 28.166 0.000) 28.166 1.213 ( 0.000 30.639 0.000) 30.639 2.157 ( 0.000 50.125 0.000) 50.125 2.863 ( 0.000 20.378 0.000) 20.378 3.140 ( 0.000 5.836 0.000) 5.836 3.321 ( 0.000 11.155 0.000) 11.155 3.472 ( 0.000 2.921 0.000) 2.921 3.545 ( 0.000 -8.674 0.000) 8.674 3.715 ( 0.000 -10.041 0.000) 10.041 3.757 ( 0.000 -10.290 0.000) 10.290 3.794 ( 0.000 5.897 0.000) 5.897 4.053 ( 0.000 17.171 0.000) 17.171 4.250 ( 0.000 27.760 0.000) 27.760 4.301 ( 0.000 12.483 0.000) 12.483 4.390 ( 0.000 4.453 0.000) 4.453 5.090 ( 0.000 5.921 0.000) 5.921 5.122 ( 0.000 20.691 0.000) 20.691 5.662 ( 0.000 2.807 0.000) 2.807 5.786 ( 0.000 2.883 0.000) 2.883 6.035 ( 0.000 -5.547 0.000) 5.547 6.043 ( 0.000 0.587 0.000) 0.587 6.220 ( 0.000 -6.362 0.000) 6.362 6.752 ( 0.000 -17.949 0.000) 17.949 7.160 ( 0.000 -7.952 0.000) 7.952 7.365 ( 0.000 -11.318 0.000) 11.318 7.377 ( 0.000 -1.101 0.000) 1.101 7.512 ( 0.000 -0.335 0.000) 0.335 7.781 ( 0.000 -10.387 0.000) 10.387 7.850 ( 0.000 18.549 0.000) 18.549 8.285 ( 0.000 13.394 0.000) 13.394 8.864 ( 0.000 13.179 0.000) 13.179 9.036 ( 0.000 -1.587 0.000) 1.587 9.324 ( 0.000 4.785 0.000) 4.785 9.531 ( 0.000 29.809 0.000) 29.809 9.588 ( 0.000 -11.693 0.000) 11.693 9.597 ( 0.000 1.788 0.000) 1.788 10.253 ( 0.000 -4.461 0.000) 4.461 10.703 ( 0.000 47.799 0.000) 47.799 11.184 ( 0.000 30.165 0.000) 30.165 11.486 ( 0.000 2.627 0.000) 2.627 11.702 ( 0.000 -3.619 0.000) 3.619 11.760 ( 0.000 10.842 0.000) 10.842 12.105 ( 0.000 14.226 0.000) 14.226 12.278 ( 0.000 16.170 0.000) 16.170 12.779 ( 0.000 -2.217 0.000) 2.217 13.286 ( 0.000 5.701 0.000) 5.701 13.978 ( 0.000 1.622 0.000) 1.622 14.416 ( 0.000 5.206 0.000) 5.206 14.739 ( 0.000 -18.112 0.000) 18.112 15.156 ( 0.000 -7.836 0.000) 7.836 15.265 ( 0.000 -3.336 0.000) 3.336 15.383 ( 0.000 7.469 0.000) 7.469 15.698 ( 0.000 -10.990 0.000) 10.990 15.729 ( 0.000 -10.081 0.000) 10.081 15.929 ( 0.000 -16.862 0.000) 16.862 15.986 ( 0.000 -11.119 0.000) 11.119 16.645 ( 0.000 -0.458 0.000) 0.458 16.829 ( 0.000 -1.761 0.000) 1.761 17.001 ( 0.000 -14.924 0.000) 14.924 17.563 ( 0.000 -7.995 0.000) 7.995 18.160 ( 0.000 14.292 0.000) 14.292 18.387 ( 0.000 6.479 0.000) 6.479 18.665 ( 0.000 6.379 0.000) 6.379 19.236 ( 0.000 -3.218 0.000) 3.218 19.553 ( 0.000 -3.253 0.000) 3.253 19.628 ( 0.000 -2.969 0.000) 2.969 19.702 ( 0.000 -6.755 0.000) 6.755 19.794 ( 0.000 -3.352 0.000) 3.352 21.985 ( 0.000 4.105 0.000) 4.105 22.873 ( 0.000 -6.179 0.000) 6.179 23.375 ( 0.000 0.067 0.000) 0.067 23.684 ( 0.000 -8.793 0.000) 8.793 ======================= Grid point 23 (14/108) ======================= q-point: ( 0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 20.650 22.728 0.000) 30.708 1.346 ( 12.810 28.289 0.000) 31.054 2.420 ( 24.260 38.419 0.000) 45.437 2.892 ( 3.242 19.452 0.000) 19.720 3.145 ( 0.685 3.091 0.000) 3.165 3.318 ( 0.097 13.608 0.000) 13.608 3.490 ( 1.659 3.733 0.000) 4.085 3.521 ( -3.245 -5.640 0.000) 6.507 3.664 ( -4.847 -9.940 0.000) 11.059 3.803 ( 4.488 -10.636 0.000) 11.544 3.848 ( 6.220 1.132 0.000) 6.322 4.116 ( 5.510 12.127 0.000) 13.320 4.251 ( -3.359 8.046 0.000) 8.719 4.359 ( 9.927 24.389 0.000) 26.332 4.542 ( 13.824 10.166 0.000) 17.159 4.982 ( -8.644 17.996 0.000) 19.964 5.171 ( 4.654 9.163 0.000) 10.277 5.517 ( -13.415 0.829 0.000) 13.441 5.827 ( 2.962 1.609 0.000) 3.371 5.866 ( -9.143 -3.541 0.000) 9.805 6.117 ( 6.538 -0.907 0.000) 6.601 6.425 ( 12.945 -1.909 0.000) 13.084 6.729 ( -2.149 -15.997 0.000) 16.141 7.105 ( -5.733 -8.411 0.000) 10.179 7.324 ( -3.993 2.679 0.000) 4.808 7.345 ( -1.059 -9.811 0.000) 9.868 7.514 ( -1.238 -5.049 0.000) 5.198 7.815 ( 4.243 -9.215 0.000) 10.145 7.924 ( 7.246 17.245 0.000) 18.705 8.422 ( 9.417 13.492 0.000) 16.453 8.983 ( 10.060 5.002 0.000) 11.235 9.221 ( 18.771 5.156 0.000) 19.466 9.405 ( 12.350 5.624 0.000) 13.570 9.531 ( -1.385 4.651 0.000) 4.853 9.613 ( 3.984 12.976 0.000) 13.574 9.937 ( 25.850 -3.171 0.000) 26.044 10.350 ( 11.283 -5.070 0.000) 12.369 10.725 ( 2.243 47.555 0.000) 47.608 11.175 ( -0.895 31.702 0.000) 31.715 11.481 ( -0.445 7.279 0.000) 7.293 11.650 ( -5.276 -3.687 0.000) 6.437 11.755 ( -0.635 6.732 0.000) 6.762 12.157 ( 6.066 15.791 0.000) 16.916 12.257 ( -2.050 16.049 0.000) 16.179 12.747 ( -2.322 2.676 0.000) 3.543 13.419 ( 12.486 1.514 0.000) 12.578 13.917 ( -5.964 1.393 0.000) 6.125 14.363 ( -5.280 4.176 0.000) 6.732 14.639 ( -9.978 -17.202 0.000) 19.886 14.958 ( -13.012 0.333 0.000) 13.017 15.235 ( -3.157 -1.918 0.000) 3.694 15.439 ( 2.490 7.125 0.000) 7.548 15.679 ( -2.015 -10.895 0.000) 11.080 15.756 ( 2.845 -9.704 0.000) 10.113 15.941 ( -1.370 -16.155 0.000) 16.213 15.995 ( 3.144 -10.473 0.000) 10.935 16.552 ( -9.085 -0.676 0.000) 9.110 16.728 ( -10.107 -1.465 0.000) 10.213 16.978 ( -2.220 -14.590 0.000) 14.757 17.292 ( -18.010 0.621 0.000) 18.021 17.774 ( -28.778 14.471 0.000) 32.212 18.249 ( -1.740 -1.766 0.000) 2.480 18.815 ( -35.263 -5.455 0.000) 35.683 18.843 ( 11.268 7.832 0.000) 13.722 19.305 ( -12.391 -2.145 0.000) 12.576 20.195 ( 30.540 -4.340 0.000) 30.847 20.209 ( 22.147 -5.127 0.000) 22.733 20.260 ( 52.723 -23.515 0.000) 57.729 21.993 ( 0.655 4.060 0.000) 4.112 22.859 ( -1.464 -5.992 0.000) 6.169 23.294 ( -8.432 -0.097 0.000) 8.433 23.586 ( -9.594 -7.336 0.000) 12.077 ======================= Grid point 24 (15/108) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 19.518 21.298 0.000) 28.889 1.760 ( 26.472 15.300 0.000) 30.575 2.886 ( 14.308 11.226 0.000) 18.186 2.996 ( 7.678 13.758 0.000) 15.756 3.169 ( 1.346 -0.310 0.000) 1.381 3.417 ( -6.574 -2.438 0.000) 7.012 3.418 ( 15.734 27.400 0.000) 31.596 3.531 ( 2.402 2.214 0.000) 3.267 3.544 ( -6.411 -9.514 0.000) 11.473 3.925 ( 8.351 -10.406 0.000) 13.343 4.040 ( 12.653 -7.029 0.000) 14.475 4.168 ( -3.564 4.094 0.000) 5.428 4.223 ( 2.340 6.833 0.000) 7.222 4.488 ( -3.288 12.628 0.000) 13.049 4.881 ( 17.528 7.617 0.000) 19.111 4.907 ( 6.777 24.847 0.000) 25.755 5.248 ( -9.125 1.159 0.000) 9.198 5.306 ( 8.613 4.963 0.000) 9.941 5.738 ( -3.934 0.415 0.000) 3.956 5.854 ( -0.454 -1.694 0.000) 1.754 6.270 ( 8.770 2.555 0.000) 9.135 6.644 ( 8.789 0.964 0.000) 8.842 6.681 ( -2.417 -10.789 0.000) 11.057 6.938 ( -10.957 -8.095 0.000) 13.623 7.215 ( -8.023 1.055 0.000) 8.092 7.324 ( -1.509 -6.128 0.000) 6.311 7.488 ( -0.080 -2.104 0.000) 2.105 7.938 ( 6.868 -7.610 0.000) 10.251 8.096 ( 9.583 11.506 0.000) 14.974 8.537 ( 2.279 12.587 0.000) 12.791 9.154 ( 5.322 -1.354 0.000) 5.492 9.473 ( -4.232 -6.494 0.000) 7.752 9.660 ( 21.618 9.507 0.000) 23.616 9.741 ( 8.582 21.925 0.000) 23.545 9.840 ( 31.851 6.143 0.000) 32.438 10.424 ( 24.091 -0.803 0.000) 24.104 10.734 ( 26.955 -5.376 0.000) 27.486 10.785 ( 3.704 46.650 0.000) 46.797 11.151 ( -1.672 35.409 0.000) 35.448 11.461 ( -1.934 12.881 0.000) 13.025 11.510 ( -8.346 -3.570 0.000) 9.078 11.756 ( 2.015 9.024 0.000) 9.246 12.206 ( -2.964 15.862 0.000) 16.136 12.379 ( 17.411 15.193 0.000) 23.108 12.721 ( 0.174 9.937 0.000) 9.939 13.695 ( 9.040 -0.358 0.000) 9.047 13.829 ( 5.218 -5.127 0.000) 7.315 14.218 ( -9.461 2.304 0.000) 9.738 14.366 ( -17.528 -14.976 0.000) 23.055 14.799 ( -2.760 2.467 0.000) 3.702 15.148 ( -5.187 0.398 0.000) 5.202 15.463 ( 0.305 7.745 0.000) 7.750 15.608 ( -5.902 -9.767 0.000) 11.411 15.838 ( 5.361 -8.604 0.000) 10.138 15.885 ( -3.412 -11.288 0.000) 11.793 16.046 ( -2.530 -11.151 0.000) 11.434 16.339 ( -10.447 1.750 0.000) 10.593 16.463 ( -15.348 -3.711 0.000) 15.791 16.923 ( -3.151 -14.036 0.000) 14.386 16.997 ( -12.112 0.551 0.000) 12.125 17.444 ( -8.026 5.748 0.000) 9.873 18.082 ( -13.629 -6.355 0.000) 15.038 18.132 ( -33.808 -5.221 0.000) 34.209 18.551 ( -27.532 -2.687 0.000) 27.663 19.664 ( 33.096 4.781 0.000) 33.440 20.616 ( 19.794 -5.804 0.000) 20.628 20.740 ( 25.019 -4.783 0.000) 25.472 21.055 ( 29.453 -26.974 0.000) 39.938 22.003 ( 0.130 4.011 0.000) 4.013 22.814 ( -3.223 -5.494 0.000) 6.370 23.051 ( -16.176 0.027 0.000) 16.176 23.334 ( -15.646 -4.982 0.000) 16.420 ======================= Grid point 25 (16/108) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 22.473 12.997 0.000) 25.961 2.265 ( 24.447 9.415 0.000) 26.198 2.944 ( -2.824 2.862 0.000) 4.021 3.147 ( -4.727 2.955 0.000) 5.575 3.151 ( 8.584 8.777 0.000) 12.277 3.327 ( -1.141 -4.242 0.000) 4.393 3.392 ( -7.332 -6.245 0.000) 9.631 3.574 ( 1.288 -2.763 0.000) 3.048 3.870 ( 16.825 5.775 0.000) 17.788 4.054 ( -7.716 2.258 0.000) 8.039 4.152 ( -7.148 -1.291 0.000) 7.263 4.228 ( 27.456 4.036 0.000) 27.751 4.270 ( -14.588 10.736 0.000) 18.113 4.359 ( 16.419 -9.661 0.000) 19.051 5.001 ( 2.416 -7.521 0.000) 7.900 5.130 ( 8.926 13.744 0.000) 16.388 5.398 ( 14.086 9.827 0.000) 17.176 5.470 ( 7.538 0.823 0.000) 7.583 5.756 ( 8.138 5.151 0.000) 9.631 5.838 ( -0.114 -2.425 0.000) 2.428 6.443 ( 8.290 5.629 0.000) 10.020 6.636 ( -3.373 -7.734 0.000) 8.438 6.711 ( -4.379 2.490 0.000) 5.038 6.719 ( -8.789 -0.405 0.000) 8.799 7.062 ( -3.746 4.105 0.000) 5.557 7.281 ( -2.756 -0.004 0.000) 2.756 7.504 ( 0.401 -0.976 0.000) 1.056 7.992 ( -3.590 -0.878 0.000) 3.696 8.285 ( 9.858 6.279 0.000) 11.687 8.583 ( 4.611 3.543 0.000) 5.815 9.161 ( -3.639 -1.511 0.000) 3.941 9.374 ( -5.816 -6.299 0.000) 8.574 9.926 ( 9.850 16.807 0.000) 19.481 9.975 ( 10.486 6.686 0.000) 12.436 10.517 ( 33.166 11.661 0.000) 35.156 10.856 ( 2.859 43.187 0.000) 43.281 10.866 ( 19.809 4.540 0.000) 20.322 11.105 ( -2.868 35.788 0.000) 35.903 11.172 ( 4.912 -2.453 0.000) 5.491 11.366 ( -5.326 2.314 0.000) 5.807 11.552 ( 21.906 16.112 0.000) 27.194 11.873 ( 10.911 15.181 0.000) 18.696 12.148 ( -2.890 15.618 0.000) 15.883 12.749 ( 8.179 6.820 0.000) 10.649 12.866 ( 27.719 18.517 0.000) 33.335 13.756 ( 6.715 -6.027 0.000) 9.023 13.979 ( -21.561 -8.210 0.000) 23.071 13.999 ( -13.140 -3.030 0.000) 13.485 14.196 ( 23.897 -6.963 0.000) 24.891 14.835 ( 6.101 0.142 0.000) 6.103 15.051 ( -4.870 1.227 0.000) 5.022 15.416 ( -14.787 -7.777 0.000) 16.708 15.456 ( -1.111 6.128 0.000) 6.228 15.771 ( -17.769 -7.259 0.000) 19.195 15.828 ( -7.130 -5.530 0.000) 9.023 15.956 ( 6.614 -6.604 0.000) 9.347 16.007 ( -23.084 4.645 0.000) 23.547 16.387 ( 4.790 -9.643 0.000) 10.768 16.806 ( -8.316 -2.901 0.000) 8.807 16.870 ( -1.885 -13.511 0.000) 13.642 17.343 ( -7.883 -1.045 0.000) 7.952 17.559 ( -20.207 -4.718 0.000) 20.750 17.718 ( -24.470 -9.069 0.000) 26.097 18.055 ( -20.447 -1.938 0.000) 20.539 20.323 ( 33.176 0.230 0.000) 33.176 20.987 ( 18.474 -7.254 0.000) 19.848 21.156 ( 17.486 -5.761 0.000) 18.410 21.480 ( 15.774 -21.843 0.000) 26.943 21.993 ( -1.123 4.152 0.000) 4.302 22.689 ( -20.060 0.982 0.000) 20.084 22.731 ( -5.266 -4.768 0.000) 7.104 22.994 ( -18.769 -3.012 0.000) 19.009 ======================= Grid point 26 (17/108) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 22.918 5.744 0.000) 23.627 2.673 ( 16.051 2.409 0.000) 16.231 2.883 ( -2.437 0.904 0.000) 2.599 3.035 ( -5.046 4.521 0.000) 6.775 3.252 ( -5.083 -6.014 0.000) 7.874 3.333 ( -1.281 1.906 0.000) 2.296 3.343 ( 9.141 9.320 0.000) 13.055 3.538 ( -3.785 -7.671 0.000) 8.554 3.802 ( -14.199 4.251 0.000) 14.822 3.954 ( -16.375 7.791 0.000) 18.134 4.058 ( 5.553 -9.876 0.000) 11.330 4.097 ( 1.058 -7.983 0.000) 8.053 4.672 ( 14.516 -10.811 0.000) 18.100 4.887 ( 32.394 9.784 0.000) 33.839 5.142 ( 11.567 -11.686 0.000) 16.443 5.143 ( -4.067 -5.080 0.000) 6.508 5.562 ( 5.212 8.384 0.000) 9.872 5.563 ( -0.545 -3.109 0.000) 3.156 5.832 ( -1.980 -0.916 0.000) 2.181 5.949 ( 1.360 -2.062 0.000) 2.470 6.524 ( -3.323 3.002 0.000) 4.478 6.543 ( -2.921 11.821 0.000) 12.177 6.564 ( 1.799 10.373 0.000) 10.527 6.692 ( 1.724 5.624 0.000) 5.882 7.132 ( 9.255 5.065 0.000) 10.551 7.233 ( -1.165 5.019 0.000) 5.152 7.464 ( -4.458 0.872 0.000) 4.543 7.792 ( -15.412 4.468 0.000) 16.047 8.486 ( 10.675 1.399 0.000) 10.767 8.705 ( 5.194 -4.301 0.000) 6.744 9.071 ( -3.522 -0.175 0.000) 3.526 9.248 ( -7.085 -4.507 0.000) 8.397 10.095 ( 6.566 8.453 0.000) 10.703 10.107 ( 4.222 3.949 0.000) 5.782 10.868 ( -0.870 28.095 0.000) 28.109 10.987 ( 13.674 26.545 0.000) 29.861 11.046 ( -6.500 1.672 0.000) 6.711 11.086 ( 1.599 38.684 0.000) 38.717 11.183 ( 8.041 20.702 0.000) 22.209 11.312 ( -1.060 14.586 0.000) 14.624 11.936 ( 9.603 10.513 0.000) 14.238 12.094 ( -2.652 14.697 0.000) 14.934 12.320 ( 34.157 9.929 0.000) 35.571 12.973 ( 16.761 4.004 0.000) 17.233 13.525 ( -25.205 -6.996 0.000) 26.158 13.535 ( 37.869 8.493 0.000) 38.809 13.711 ( -16.700 -1.413 0.000) 16.759 14.032 ( 21.364 -4.213 0.000) 21.776 14.669 ( 22.793 -4.734 0.000) 23.280 14.883 ( -19.104 -5.155 0.000) 19.787 15.019 ( -22.437 3.480 0.000) 22.706 15.047 ( 16.334 -3.605 0.000) 16.727 15.411 ( -16.715 -5.808 0.000) 17.695 15.420 ( -2.221 3.915 0.000) 4.501 15.494 ( -20.762 6.772 0.000) 21.838 15.745 ( -8.480 -7.378 0.000) 11.241 16.096 ( 8.177 -3.903 0.000) 9.061 16.507 ( 6.847 -7.910 0.000) 10.462 16.614 ( -12.817 -3.487 0.000) 13.283 16.863 ( 1.259 -13.084 0.000) 13.145 16.997 ( -18.687 -5.465 0.000) 19.470 17.225 ( -21.620 -10.581 0.000) 24.070 17.478 ( 3.176 -3.900 0.000) 5.029 17.757 ( -11.534 -3.609 0.000) 12.086 20.929 ( 28.522 -4.175 0.000) 28.826 21.335 ( 16.699 -10.067 0.000) 19.499 21.410 ( 8.070 -7.500 0.000) 11.017 21.675 ( 2.742 -17.524 0.000) 17.737 21.970 ( -0.396 4.830 0.000) 4.846 22.312 ( -17.308 2.085 0.000) 17.433 22.613 ( -6.512 -3.607 0.000) 7.445 22.645 ( -14.970 -0.514 0.000) 14.978 ======================= Grid point 27 (18/108) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( -0.905 -2.981 0.000) 3.115 2.835 ( 0.905 -2.981 0.000) 3.115 2.929 ( -11.068 4.127 0.000) 11.812 2.929 ( 11.068 4.127 0.000) 11.812 3.199 ( -3.683 0.536 0.000) 3.722 3.199 ( 3.683 0.536 0.000) 3.722 3.527 ( -7.331 3.377 0.000) 8.071 3.527 ( 7.331 3.377 0.000) 8.071 3.672 ( -9.083 4.670 0.000) 10.213 3.672 ( 9.083 4.670 0.000) 10.213 4.117 ( -0.479 -11.685 0.000) 11.695 4.117 ( 0.479 -11.685 0.000) 11.695 4.918 ( -11.188 -7.650 0.000) 13.553 4.918 ( 11.188 -7.650 0.000) 13.553 5.407 ( -13.491 -12.200 0.000) 18.189 5.407 ( 13.491 -12.200 0.000) 18.189 5.513 ( -19.978 0.863 0.000) 19.997 5.513 ( 19.978 0.863 0.000) 19.997 5.792 ( -2.284 3.501 0.000) 4.180 5.792 ( 2.284 3.501 0.000) 4.180 6.529 ( -1.877 9.612 0.000) 9.793 6.529 ( 1.877 9.612 0.000) 9.793 6.662 ( -5.974 12.551 0.000) 13.901 6.662 ( 5.974 12.551 0.000) 13.901 7.267 ( -2.326 4.546 0.000) 5.107 7.267 ( 2.326 4.546 0.000) 5.107 7.476 ( -13.157 4.729 0.000) 13.981 7.476 ( 13.157 4.729 0.000) 13.981 8.677 ( -7.667 -3.257 0.000) 8.330 8.677 ( 7.667 -3.257 0.000) 8.330 9.107 ( -6.485 -1.748 0.000) 6.716 9.107 ( 6.485 -1.748 0.000) 6.716 10.155 ( -0.317 3.444 0.000) 3.458 10.155 ( 0.317 3.444 0.000) 3.458 10.902 ( -5.321 13.757 0.000) 14.750 10.902 ( 5.321 13.757 0.000) 14.750 11.113 ( -0.664 40.556 0.000) 40.561 11.113 ( 0.664 40.556 0.000) 40.561 11.286 ( -2.486 18.174 0.000) 18.343 11.286 ( 2.486 18.174 0.000) 18.343 12.041 ( -3.132 12.748 0.000) 13.127 12.041 ( 3.132 12.748 0.000) 13.127 12.979 ( -31.346 -0.502 0.000) 31.350 12.979 ( 31.346 -0.502 0.000) 31.350 13.350 ( -20.004 -0.852 0.000) 20.022 13.350 ( 20.004 -0.852 0.000) 20.022 14.276 ( -36.847 -0.903 0.000) 36.858 14.276 ( 36.847 -0.903 0.000) 36.858 14.540 ( -28.410 2.489 0.000) 28.519 14.540 ( 28.410 2.489 0.000) 28.519 15.052 ( -18.003 -0.261 0.000) 18.005 15.052 ( 18.003 -0.261 0.000) 18.005 15.328 ( -3.574 -0.153 0.000) 3.577 15.328 ( 3.574 -0.153 0.000) 3.577 15.492 ( -15.795 -5.438 0.000) 16.705 15.492 ( 15.795 -5.438 0.000) 16.705 16.307 ( -14.379 -1.283 0.000) 14.436 16.307 ( 14.379 -1.283 0.000) 14.436 16.692 ( -11.667 -7.662 0.000) 13.958 16.692 ( 11.667 -7.662 0.000) 13.958 16.954 ( -7.604 -12.343 0.000) 14.497 16.954 ( 7.604 -12.343 0.000) 14.497 17.579 ( -7.020 -4.453 0.000) 8.313 17.579 ( 7.020 -4.453 0.000) 8.313 21.382 ( -14.707 -8.570 0.000) 17.021 21.382 ( 14.707 -8.570 0.000) 17.021 21.585 ( -8.420 -12.334 0.000) 14.934 21.585 ( 8.420 -12.334 0.000) 14.934 22.043 ( -9.568 3.826 0.000) 10.305 22.043 ( 9.568 3.826 0.000) 10.305 22.514 ( -1.632 -1.126 0.000) 1.983 22.514 ( 1.632 -1.126 0.000) 1.983 ======================= Grid point 33 (19/108) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 0.000 27.599 0.000) 27.599 1.777 ( 0.000 28.362 0.000) 28.362 2.856 ( 0.000 20.191 0.000) 20.191 3.265 ( 0.000 6.285 0.000) 6.285 3.306 ( 0.000 -15.074 0.000) 15.074 3.412 ( 0.000 30.958 0.000) 30.958 3.485 ( 0.000 -1.495 0.000) 1.495 3.499 ( 0.000 -0.897 0.000) 0.897 3.547 ( 0.000 -3.015 0.000) 3.015 3.629 ( 0.000 9.161 0.000) 9.161 4.002 ( 0.000 13.674 0.000) 13.674 4.227 ( 0.000 4.731 0.000) 4.731 4.491 ( 0.000 6.351 0.000) 6.351 4.650 ( 0.000 8.097 0.000) 8.097 4.690 ( 0.000 22.936 0.000) 22.936 5.273 ( 0.000 17.416 0.000) 17.416 5.521 ( 0.000 20.592 0.000) 20.592 5.740 ( 0.000 5.000 0.000) 5.000 5.862 ( 0.000 -11.701 0.000) 11.701 5.949 ( 0.000 14.792 0.000) 14.792 6.040 ( 0.000 -0.824 0.000) 0.824 6.158 ( 0.000 -0.783 0.000) 0.783 6.345 ( 0.000 -24.488 0.000) 24.488 6.962 ( 0.000 -12.697 0.000) 12.697 7.119 ( 0.000 -14.560 0.000) 14.560 7.341 ( 0.000 -2.668 0.000) 2.668 7.404 ( 0.000 -7.457 0.000) 7.457 7.536 ( 0.000 -15.312 0.000) 15.312 8.209 ( 0.000 16.742 0.000) 16.742 8.512 ( 0.000 10.420 0.000) 10.420 8.993 ( 0.000 -2.907 0.000) 2.907 9.108 ( 0.000 10.794 0.000) 10.794 9.338 ( 0.000 -14.219 0.000) 14.219 9.483 ( 0.000 12.439 0.000) 12.439 9.597 ( 0.000 -2.178 0.000) 2.178 10.149 ( 0.000 32.312 0.000) 32.312 10.176 ( 0.000 -3.465 0.000) 3.465 11.550 ( 0.000 4.033 0.000) 4.033 11.602 ( 0.000 -7.294 0.000) 7.294 11.700 ( 0.000 54.904 0.000) 54.904 11.824 ( 0.000 -0.644 0.000) 0.644 11.933 ( 0.000 48.078 0.000) 48.078 12.442 ( 0.000 14.527 0.000) 14.527 12.619 ( 0.000 19.253 0.000) 19.253 12.731 ( 0.000 -2.773 0.000) 2.773 13.529 ( 0.000 21.550 0.000) 21.550 14.044 ( 0.000 5.735 0.000) 5.735 14.279 ( 0.000 -20.543 0.000) 20.543 14.623 ( 0.000 7.252 0.000) 7.252 14.968 ( 0.000 -11.798 0.000) 11.798 15.115 ( 0.000 -15.486 0.000) 15.486 15.397 ( 0.000 -20.421 0.000) 20.421 15.494 ( 0.000 -14.598 0.000) 14.598 15.520 ( 0.000 -24.544 0.000) 24.544 15.544 ( 0.000 9.304 0.000) 9.304 15.851 ( 0.000 -1.402 0.000) 1.402 16.570 ( 0.000 -7.948 0.000) 7.948 16.675 ( 0.000 -18.807 0.000) 18.807 16.836 ( 0.000 3.129 0.000) 3.129 17.404 ( 0.000 -8.523 0.000) 8.523 18.469 ( 0.000 17.630 0.000) 17.630 18.526 ( 0.000 8.017 0.000) 8.017 18.797 ( 0.000 7.384 0.000) 7.384 19.163 ( 0.000 -4.727 0.000) 4.727 19.478 ( 0.000 -3.977 0.000) 3.977 19.555 ( 0.000 -8.337 0.000) 8.337 19.563 ( 0.000 -3.707 0.000) 3.707 19.695 ( 0.000 -7.119 0.000) 7.119 22.083 ( 0.000 6.127 0.000) 6.127 22.732 ( 0.000 -8.374 0.000) 8.374 23.374 ( 0.000 -0.172 0.000) 0.172 23.527 ( 0.000 -7.122 0.000) 7.122 ======================= Grid point 34 (20/108) ======================= q-point: ( 0.10 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 14.127 24.531 0.000) 28.308 1.877 ( 9.445 27.000 0.000) 28.604 2.931 ( 6.621 14.437 0.000) 15.883 3.207 ( -2.986 0.119 0.000) 2.988 3.357 ( -4.491 24.780 0.000) 25.184 3.375 ( 3.339 -7.446 0.000) 8.161 3.480 ( -2.246 -5.126 0.000) 5.597 3.495 ( 1.470 -1.983 0.000) 2.468 3.568 ( 2.392 -10.175 0.000) 10.452 3.745 ( 11.394 26.906 0.000) 29.219 3.955 ( -3.633 8.912 0.000) 9.624 4.240 ( 0.637 4.439 0.000) 4.484 4.438 ( -4.127 7.840 0.000) 8.860 4.676 ( 1.335 4.190 0.000) 4.398 4.814 ( 10.487 16.347 0.000) 19.422 5.291 ( 1.757 18.328 0.000) 18.412 5.465 ( -3.810 19.682 0.000) 20.047 5.507 ( -16.675 -2.218 0.000) 16.822 5.802 ( -4.042 -1.789 0.000) 4.420 5.931 ( -2.198 8.072 0.000) 8.366 6.134 ( 9.425 2.155 0.000) 9.669 6.385 ( 14.964 -2.351 0.000) 15.148 6.393 ( 4.388 -16.892 0.000) 17.453 6.905 ( -5.455 -12.304 0.000) 13.459 7.127 ( 1.218 -13.217 0.000) 13.273 7.318 ( -3.117 -2.541 0.000) 4.021 7.410 ( 1.389 -5.072 0.000) 5.259 7.582 ( 4.971 -14.931 0.000) 15.737 8.239 ( 2.939 15.101 0.000) 15.384 8.667 ( 12.165 11.224 0.000) 16.551 9.044 ( 4.829 1.078 0.000) 4.948 9.323 ( -1.490 -13.589 0.000) 13.671 9.358 ( 22.230 8.026 0.000) 23.635 9.556 ( 11.980 11.015 0.000) 16.275 9.879 ( 23.172 -3.964 0.000) 23.509 10.165 ( 1.538 30.062 0.000) 30.101 10.264 ( 10.544 -3.859 0.000) 11.228 11.551 ( -5.201 -6.939 0.000) 8.672 11.579 ( 2.831 3.972 0.000) 4.877 11.719 ( 1.844 54.723 0.000) 54.754 11.810 ( -0.193 0.438 0.000) 0.479 11.951 ( 1.837 48.971 0.000) 49.006 12.467 ( 3.516 12.008 0.000) 12.512 12.593 ( -2.444 18.941 0.000) 19.098 12.826 ( 8.733 3.964 0.000) 9.590 13.582 ( 5.477 18.440 0.000) 19.236 13.989 ( -5.711 6.487 0.000) 8.643 14.192 ( -8.636 -20.090 0.000) 21.868 14.545 ( -7.213 4.748 0.000) 8.636 14.879 ( -7.249 -8.026 0.000) 10.815 15.145 ( 1.364 -9.220 0.000) 9.320 15.395 ( 0.182 -19.552 0.000) 19.553 15.528 ( 3.699 -13.623 0.000) 14.116 15.528 ( 0.513 -25.336 0.000) 25.342 15.580 ( 2.433 7.305 0.000) 7.699 15.845 ( -0.269 -3.720 0.000) 3.729 16.466 ( -9.998 -8.217 0.000) 12.942 16.656 ( -1.908 -18.748 0.000) 18.845 16.754 ( -8.240 4.281 0.000) 9.285 17.269 ( -11.909 -3.426 0.000) 12.392 18.010 ( -31.154 10.751 0.000) 32.956 18.283 ( -13.260 5.359 0.000) 14.302 18.693 ( -34.914 -7.304 0.000) 35.670 18.931 ( -10.700 -0.261 0.000) 10.703 19.310 ( 9.318 4.255 0.000) 10.243 19.971 ( 39.622 -8.622 0.000) 40.550 20.086 ( 21.819 -7.828 0.000) 23.181 20.101 ( 30.464 -5.620 0.000) 30.979 22.089 ( 0.547 6.040 0.000) 6.065 22.723 ( -1.029 -8.108 0.000) 8.174 23.289 ( -8.627 -0.295 0.000) 8.632 23.448 ( -7.937 -6.514 0.000) 10.268 ======================= Grid point 35 (21/108) ======================= q-point: ( 0.20 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 20.169 18.528 0.000) 27.388 2.104 ( 13.096 23.207 0.000) 26.647 3.042 ( 2.502 4.953 0.000) 5.549 3.170 ( -0.529 -1.211 0.000) 1.322 3.274 ( -3.045 14.384 0.000) 14.703 3.373 ( -3.542 -1.420 0.000) 3.816 3.408 ( -3.995 -2.916 0.000) 4.946 3.540 ( 1.433 -1.749 0.000) 2.261 3.648 ( 5.112 -11.223 0.000) 12.332 3.930 ( 2.767 -2.989 0.000) 4.073 4.067 ( 21.462 31.119 0.000) 37.802 4.220 ( -3.116 1.102 0.000) 3.306 4.347 ( -5.542 5.505 0.000) 7.812 4.624 ( -7.883 -0.536 0.000) 7.901 4.932 ( -4.095 -3.533 0.000) 5.409 5.334 ( 1.646 15.754 0.000) 15.840 5.341 ( 6.430 9.674 0.000) 11.615 5.450 ( 2.788 13.533 0.000) 13.817 5.758 ( -0.049 1.795 0.000) 1.796 5.874 ( -2.638 2.895 0.000) 3.916 6.344 ( 11.484 4.827 0.000) 12.457 6.480 ( 3.457 -8.160 0.000) 8.862 6.645 ( 10.906 -1.210 0.000) 10.973 6.785 ( -5.355 -7.232 0.000) 8.999 7.173 ( 3.382 -9.752 0.000) 10.321 7.226 ( -5.528 0.611 0.000) 5.561 7.454 ( 2.622 -1.802 0.000) 3.181 7.725 ( 8.946 -14.178 0.000) 16.765 8.315 ( 4.637 11.425 0.000) 12.331 8.798 ( -0.513 13.249 0.000) 13.259 9.143 ( 3.623 -0.093 0.000) 3.624 9.281 ( -2.785 -12.000 0.000) 12.319 9.837 ( 20.768 8.830 0.000) 22.568 9.960 ( 30.489 6.680 0.000) 31.212 10.205 ( 2.344 24.252 0.000) 24.365 10.394 ( 28.940 -2.894 0.000) 29.084 10.636 ( 26.057 -4.834 0.000) 26.501 11.404 ( -9.574 -5.807 0.000) 11.198 11.638 ( 4.032 6.840 0.000) 7.939 11.768 ( 3.059 53.602 0.000) 53.690 11.911 ( 11.935 5.973 0.000) 13.346 11.999 ( 2.780 50.710 0.000) 50.786 12.534 ( -3.316 18.355 0.000) 18.652 12.610 ( 11.569 9.243 0.000) 14.808 13.036 ( 12.354 17.304 0.000) 21.261 13.738 ( 7.984 8.544 0.000) 11.694 13.848 ( -4.628 7.594 0.000) 8.893 13.960 ( -14.671 -19.312 0.000) 24.253 14.367 ( -10.828 4.252 0.000) 11.633 14.765 ( -3.266 -5.656 0.000) 6.531 15.120 ( -3.585 -4.092 0.000) 5.440 15.391 ( -2.412 -13.606 0.000) 13.818 15.530 ( -0.046 -24.641 0.000) 24.641 15.604 ( -0.043 5.179 0.000) 5.179 15.637 ( 7.039 -10.837 0.000) 12.922 15.842 ( -1.489 -9.196 0.000) 9.316 16.234 ( -11.512 -9.821 0.000) 15.133 16.523 ( -15.173 7.299 0.000) 16.837 16.607 ( -2.787 -18.615 0.000) 18.823 17.013 ( -13.302 0.314 0.000) 13.305 17.549 ( -16.056 5.221 0.000) 16.884 17.985 ( -17.927 -2.959 0.000) 18.170 18.016 ( -33.396 -6.770 0.000) 34.076 18.467 ( -27.424 -6.274 0.000) 28.132 19.779 ( 28.885 7.252 0.000) 29.781 20.484 ( 19.066 -8.002 0.000) 20.677 20.620 ( 25.399 -8.638 0.000) 26.828 20.677 ( 28.517 -11.750 0.000) 30.842 22.097 ( 0.067 5.874 0.000) 5.875 22.689 ( -2.484 -7.401 0.000) 7.807 23.048 ( -15.644 -0.083 0.000) 15.644 23.230 ( -14.029 -5.420 0.000) 15.040 ======================= Grid point 36 (22/108) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 14.680 16.952 0.000) 22.425 2.471 ( 17.982 12.028 0.000) 21.634 2.995 ( -5.463 2.174 0.000) 5.880 3.194 ( 3.170 -1.901 0.000) 3.696 3.229 ( -3.438 -1.607 0.000) 3.794 3.260 ( -7.035 1.133 0.000) 7.126 3.392 ( 3.514 7.795 0.000) 8.550 3.525 ( -2.720 -2.404 0.000) 3.630 3.747 ( 4.674 -12.506 0.000) 13.350 4.006 ( 0.207 -6.604 0.000) 6.608 4.090 ( -11.535 -5.914 0.000) 12.962 4.286 ( 5.146 2.244 0.000) 5.614 4.351 ( -12.263 0.406 0.000) 12.270 4.589 ( 24.333 22.196 0.000) 32.935 4.834 ( -1.163 -9.791 0.000) 9.860 5.271 ( -8.325 2.740 0.000) 8.764 5.535 ( 2.792 5.102 0.000) 5.816 5.575 ( 10.796 8.809 0.000) 13.934 5.820 ( 6.671 2.196 0.000) 7.023 5.853 ( 0.072 2.073 0.000) 2.074 6.524 ( 2.515 -1.784 0.000) 3.083 6.561 ( 10.214 6.408 0.000) 12.057 6.749 ( 1.899 3.432 0.000) 3.922 6.776 ( 2.133 2.712 0.000) 3.450 7.159 ( 0.392 6.282 0.000) 6.294 7.243 ( 3.438 -3.842 0.000) 5.156 7.495 ( 1.202 -0.122 0.000) 1.208 7.877 ( 4.768 -10.600 0.000) 11.623 8.412 ( 5.303 7.306 0.000) 9.027 8.718 ( -5.268 9.322 0.000) 10.708 9.132 ( -4.033 -1.693 0.000) 4.374 9.216 ( -3.901 -9.997 0.000) 10.731 10.102 ( 7.949 6.834 0.000) 10.483 10.249 ( 2.000 16.918 0.000) 17.036 10.618 ( 29.748 -0.854 0.000) 29.761 10.940 ( 26.010 3.865 0.000) 26.296 11.128 ( 22.272 -2.171 0.000) 22.378 11.195 ( -11.189 -4.336 0.000) 12.000 11.830 ( 3.010 49.699 0.000) 49.790 11.882 ( 23.129 17.388 0.000) 28.936 12.047 ( 1.735 51.020 0.000) 51.050 12.209 ( 16.662 16.772 0.000) 23.641 12.474 ( -2.754 18.988 0.000) 19.187 12.899 ( 15.898 9.123 0.000) 18.329 13.309 ( 16.174 25.471 0.000) 30.172 13.640 ( -17.629 -17.448 0.000) 24.804 13.711 ( 2.345 2.129 0.000) 3.167 14.095 ( 20.582 -1.564 0.000) 20.642 14.128 ( -13.662 6.435 0.000) 15.101 14.768 ( 3.762 -7.086 0.000) 8.023 15.025 ( -6.784 -4.263 0.000) 8.012 15.267 ( -9.287 -8.536 0.000) 12.614 15.494 ( -7.435 -20.604 0.000) 21.904 15.575 ( -2.730 5.853 0.000) 6.459 15.693 ( -10.964 -7.459 0.000) 13.260 15.798 ( 9.269 -9.885 0.000) 13.551 16.056 ( -14.761 -7.526 0.000) 16.569 16.261 ( -3.567 3.194 0.000) 4.788 16.561 ( -1.603 -18.506 0.000) 18.576 16.771 ( -11.327 -0.866 0.000) 11.360 17.311 ( -15.104 -2.032 0.000) 15.240 17.461 ( -17.514 -5.452 0.000) 18.343 17.559 ( -26.103 -6.688 0.000) 26.946 17.978 ( -21.215 -6.196 0.000) 22.102 20.340 ( 28.072 1.853 0.000) 28.133 20.833 ( 16.864 -8.690 0.000) 18.972 21.024 ( 16.358 -7.921 0.000) 18.175 21.136 ( 18.352 -13.535 0.000) 22.803 22.088 ( -0.972 5.764 0.000) 5.845 22.624 ( -4.269 -6.398 0.000) 7.691 22.706 ( -18.706 0.965 0.000) 18.730 22.920 ( -17.083 -4.353 0.000) 17.629 ======================= Grid point 37 (23/108) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 14.786 8.870 0.000) 17.243 2.734 ( 8.108 4.172 0.000) 9.119 2.904 ( -2.379 1.210 0.000) 2.669 3.122 ( -5.635 4.010 0.000) 6.916 3.156 ( -3.044 -3.805 0.000) 4.873 3.332 ( 9.723 -6.302 0.000) 11.587 3.401 ( -10.094 -1.496 0.000) 10.204 3.502 ( 6.768 7.472 0.000) 10.082 3.808 ( 0.140 -14.513 0.000) 14.514 3.838 ( -10.249 -1.552 0.000) 10.366 3.969 ( -2.941 -4.832 0.000) 5.656 4.053 ( -14.223 0.895 0.000) 14.252 4.506 ( 13.727 -5.882 0.000) 14.934 4.916 ( 9.397 -11.964 0.000) 15.213 5.018 ( -5.437 -5.056 0.000) 7.425 5.143 ( 18.050 14.917 0.000) 23.416 5.457 ( -10.409 -7.134 0.000) 12.619 5.701 ( 2.778 6.185 0.000) 6.781 5.865 ( 0.648 1.911 0.000) 2.018 5.907 ( -1.462 -1.302 0.000) 1.958 6.610 ( 5.530 6.487 0.000) 8.525 6.704 ( 3.417 7.281 0.000) 8.043 6.806 ( 3.668 10.400 0.000) 11.028 6.830 ( 5.100 8.167 0.000) 9.628 7.260 ( 9.360 8.157 0.000) 12.416 7.303 ( 3.014 2.459 0.000) 3.890 7.489 ( -1.667 1.815 0.000) 2.464 7.835 ( -9.619 -1.046 0.000) 9.676 8.520 ( 5.739 2.609 0.000) 6.304 8.660 ( -0.748 0.265 0.000) 0.793 9.042 ( -3.520 -2.872 0.000) 4.543 9.130 ( -4.832 -7.891 0.000) 9.253 10.199 ( 3.159 5.811 0.000) 6.614 10.272 ( 0.106 10.262 0.000) 10.263 10.887 ( 2.630 -9.649 0.000) 10.001 11.002 ( -7.829 -3.797 0.000) 8.701 11.499 ( 27.926 18.128 0.000) 33.294 11.528 ( 18.331 11.545 0.000) 21.663 11.864 ( -0.363 39.153 0.000) 39.154 12.049 ( -1.998 48.940 0.000) 48.981 12.285 ( 10.564 26.389 0.000) 28.425 12.425 ( -2.466 21.422 0.000) 21.564 12.596 ( 24.043 18.321 0.000) 30.228 13.149 ( 11.462 14.099 0.000) 18.170 13.296 ( -17.095 -11.071 0.000) 20.367 13.689 ( 24.205 6.928 0.000) 25.177 13.828 ( -17.333 8.950 0.000) 19.508 14.020 ( 27.085 4.408 0.000) 27.441 14.539 ( 22.977 -8.499 0.000) 24.498 14.765 ( -21.457 -6.365 0.000) 22.381 14.932 ( 13.955 -8.489 0.000) 16.334 15.074 ( -14.997 1.404 0.000) 15.063 15.190 ( -15.200 -16.507 0.000) 22.440 15.508 ( -3.751 5.131 0.000) 6.356 15.550 ( -8.013 -10.401 0.000) 13.130 15.658 ( -19.649 5.200 0.000) 20.326 15.996 ( 11.253 -7.022 0.000) 13.265 16.338 ( 6.243 -8.981 0.000) 10.938 16.558 ( 1.579 -18.536 0.000) 18.603 16.563 ( -10.244 -1.895 0.000) 10.418 16.907 ( -19.413 -3.094 0.000) 19.658 17.028 ( -25.274 -8.424 0.000) 26.641 17.374 ( 1.490 -7.128 0.000) 7.282 17.650 ( -13.023 -7.857 0.000) 15.210 20.853 ( 23.916 -3.468 0.000) 24.166 21.138 ( 14.032 -10.138 0.000) 17.311 21.253 ( 6.638 -8.466 0.000) 10.758 21.377 ( 5.516 -13.016 0.000) 14.137 22.071 ( -0.071 5.694 0.000) 5.695 22.358 ( -15.876 2.656 0.000) 16.097 22.530 ( -4.883 -5.026 0.000) 7.007 22.609 ( -13.191 -2.938 0.000) 13.515 ======================= Grid point 38 (24/108) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( -0.499 0.262 0.000) 0.564 2.806 ( 0.499 0.262 0.000) 0.564 3.012 ( -9.267 4.449 0.000) 10.279 3.012 ( 9.267 4.449 0.000) 10.279 3.161 ( -6.741 -4.036 0.000) 7.856 3.161 ( 6.741 -4.036 0.000) 7.856 3.581 ( -7.659 0.707 0.000) 7.692 3.581 ( 7.659 0.707 0.000) 7.692 3.698 ( -0.318 -2.483 0.000) 2.503 3.698 ( 0.318 -2.483 0.000) 2.503 3.938 ( -0.192 -5.337 0.000) 5.340 3.938 ( 0.192 -5.337 0.000) 5.340 4.772 ( -13.601 -6.460 0.000) 15.057 4.772 ( 13.601 -6.460 0.000) 15.057 5.170 ( -15.022 -11.971 0.000) 19.208 5.170 ( 15.022 -11.971 0.000) 19.208 5.581 ( -16.995 5.641 0.000) 17.907 5.581 ( 16.995 5.641 0.000) 17.907 5.860 ( -0.352 2.775 0.000) 2.797 5.860 ( 0.352 2.775 0.000) 2.797 6.701 ( -3.086 8.527 0.000) 9.068 6.701 ( 3.086 8.527 0.000) 9.068 6.878 ( -1.336 9.266 0.000) 9.362 6.878 ( 1.336 9.266 0.000) 9.362 7.370 ( -2.774 5.704 0.000) 6.342 7.370 ( 2.774 5.704 0.000) 6.342 7.571 ( -14.120 4.952 0.000) 14.963 7.571 ( 14.120 4.952 0.000) 14.963 8.623 ( -4.077 -1.752 0.000) 4.437 8.623 ( 4.077 -1.752 0.000) 4.437 9.042 ( -3.336 -5.231 0.000) 6.205 9.042 ( 3.336 -5.231 0.000) 6.205 10.250 ( -2.137 6.494 0.000) 6.837 10.250 ( 2.137 6.494 0.000) 6.837 10.910 ( -1.852 -5.883 0.000) 6.167 10.910 ( 1.852 -5.883 0.000) 6.167 11.781 ( -8.632 23.496 0.000) 25.031 11.781 ( 8.632 23.496 0.000) 25.031 11.922 ( -13.123 37.692 0.000) 39.911 11.922 ( 13.123 37.692 0.000) 39.911 12.377 ( -2.329 24.838 0.000) 24.947 12.377 ( 2.329 24.838 0.000) 24.947 12.984 ( -15.814 5.786 0.000) 16.839 12.984 ( 15.814 5.786 0.000) 16.839 13.459 ( -19.635 10.541 0.000) 22.286 13.459 ( 19.635 10.541 0.000) 22.286 14.239 ( -30.141 -2.218 0.000) 30.223 14.239 ( 30.141 -2.218 0.000) 30.223 14.599 ( -29.378 2.627 0.000) 29.495 14.599 ( 29.378 2.627 0.000) 29.495 14.927 ( -16.799 -12.194 0.000) 20.758 14.927 ( 16.799 -12.194 0.000) 20.758 15.280 ( -18.058 -7.559 0.000) 19.576 15.280 ( 18.058 -7.559 0.000) 19.576 15.467 ( -1.532 4.445 0.000) 4.701 15.467 ( 1.532 4.445 0.000) 4.701 16.247 ( -14.142 -6.412 0.000) 15.528 16.247 ( 14.142 -6.412 0.000) 15.528 16.558 ( -7.805 -7.564 0.000) 10.868 16.558 ( 7.805 -7.564 0.000) 10.868 16.700 ( -5.937 -10.172 0.000) 11.778 16.700 ( 5.937 -10.172 0.000) 11.778 17.457 ( -6.984 -8.536 0.000) 11.029 17.457 ( 6.984 -8.536 0.000) 11.029 21.222 ( -11.712 -7.760 0.000) 14.050 21.222 ( 11.712 -7.760 0.000) 14.050 21.347 ( -6.831 -11.621 0.000) 13.480 21.347 ( 6.831 -11.621 0.000) 13.480 22.128 ( -7.101 4.745 0.000) 8.540 22.128 ( 7.101 4.745 0.000) 8.540 22.472 ( -0.601 -3.149 0.000) 3.206 22.472 ( 0.601 -3.149 0.000) 3.206 ======================= Grid point 44 (25/108) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 0.000 25.737 0.000) 25.737 2.288 ( 0.000 25.196 0.000) 25.196 2.973 ( 0.000 -19.584 0.000) 19.584 3.014 ( 0.000 -4.797 0.000) 4.797 3.305 ( 0.000 -4.668 0.000) 4.668 3.362 ( 0.000 3.872 0.000) 3.872 3.413 ( 0.000 -4.689 0.000) 4.689 3.452 ( 0.000 -1.752 0.000) 1.752 3.920 ( 0.000 17.345 0.000) 17.345 4.231 ( 0.000 8.609 0.000) 8.609 4.262 ( 0.000 38.131 0.000) 38.131 4.295 ( 0.000 2.553 0.000) 2.553 4.591 ( 0.000 -6.440 0.000) 6.440 4.657 ( 0.000 11.826 0.000) 11.826 5.014 ( 0.000 7.016 0.000) 7.016 5.680 ( 0.000 -3.987 0.000) 3.987 5.717 ( 0.000 24.827 0.000) 24.827 5.729 ( 0.000 -20.925 0.000) 20.925 5.816 ( 0.000 1.040 0.000) 1.040 5.981 ( 0.000 7.512 0.000) 7.512 6.029 ( 0.000 0.935 0.000) 0.935 6.146 ( 0.000 -1.351 0.000) 1.351 6.322 ( 0.000 22.930 0.000) 22.930 6.688 ( 0.000 -15.221 0.000) 15.221 6.816 ( 0.000 -16.718 0.000) 16.718 7.198 ( 0.000 -20.112 0.000) 20.112 7.279 ( 0.000 -4.834 0.000) 4.834 7.281 ( 0.000 -3.293 0.000) 3.293 8.499 ( 0.000 14.369 0.000) 14.369 8.687 ( 0.000 8.017 0.000) 8.017 8.923 ( 0.000 -4.501 0.000) 4.501 9.057 ( 0.000 -15.034 0.000) 15.034 9.269 ( 0.000 7.027 0.000) 7.027 9.518 ( 0.000 -5.662 0.000) 5.662 9.757 ( 0.000 14.437 0.000) 14.437 10.109 ( 0.000 -4.304 0.000) 4.304 10.702 ( 0.000 25.316 0.000) 25.316 11.414 ( 0.000 -12.586 0.000) 12.586 11.635 ( 0.000 4.719 0.000) 4.719 11.788 ( 0.000 -2.777 0.000) 2.777 12.599 ( 0.000 3.653 0.000) 3.653 12.680 ( 0.000 -2.432 0.000) 2.432 12.746 ( 0.000 53.997 0.000) 53.997 12.943 ( 0.000 55.122 0.000) 55.122 13.002 ( 0.000 20.775 0.000) 20.775 13.863 ( 0.000 -21.763 0.000) 21.763 14.058 ( 0.000 29.372 0.000) 29.372 14.216 ( 0.000 13.855 0.000) 13.855 14.595 ( 0.000 -37.140 0.000) 37.140 14.712 ( 0.000 -14.740 0.000) 14.740 14.795 ( 0.000 9.792 0.000) 9.792 14.821 ( 0.000 -39.293 0.000) 39.293 15.162 ( 0.000 -20.699 0.000) 20.699 15.189 ( 0.000 -11.683 0.000) 11.683 15.738 ( 0.000 11.297 0.000) 11.297 15.923 ( 0.000 8.003 0.000) 8.003 16.310 ( 0.000 -18.761 0.000) 18.761 16.367 ( 0.000 -12.462 0.000) 12.462 16.935 ( 0.000 6.757 0.000) 6.757 17.241 ( 0.000 -8.568 0.000) 8.568 18.691 ( 0.000 9.189 0.000) 9.189 18.805 ( 0.000 16.666 0.000) 16.666 18.940 ( 0.000 7.208 0.000) 7.208 19.043 ( 0.000 -7.959 0.000) 7.959 19.398 ( 0.000 -7.532 0.000) 7.532 19.426 ( 0.000 -1.047 0.000) 1.047 19.493 ( 0.000 -3.503 0.000) 3.503 19.522 ( 0.000 -10.739 0.000) 10.739 22.217 ( 0.000 7.936 0.000) 7.936 22.561 ( 0.000 -9.421 0.000) 9.421 23.371 ( 0.000 -0.062 0.000) 0.062 23.423 ( 0.000 -3.762 0.000) 3.762 ======================= Grid point 45 (26/108) ======================= q-point: ( 0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 9.861 23.827 0.000) 25.787 2.364 ( 7.069 23.950 0.000) 24.972 3.009 ( 3.125 -17.130 0.000) 17.413 3.042 ( 2.291 -4.257 0.000) 4.834 3.331 ( 2.386 -6.304 0.000) 6.741 3.365 ( 0.524 2.755 0.000) 2.804 3.386 ( -2.310 -4.302 0.000) 4.883 3.452 ( 0.149 -2.195 0.000) 2.200 3.823 ( -7.880 21.071 0.000) 22.496 4.131 ( -8.274 8.513 0.000) 11.871 4.297 ( -1.829 0.697 0.000) 1.957 4.377 ( 9.005 26.402 0.000) 27.895 4.587 ( -0.223 -2.150 0.000) 2.161 4.590 ( -6.115 9.757 0.000) 11.515 4.985 ( -5.229 -2.096 0.000) 5.633 5.523 ( -6.274 7.065 0.000) 9.448 5.648 ( -5.282 -8.511 0.000) 10.017 5.704 ( -2.806 15.074 0.000) 15.333 5.789 ( -1.921 -1.350 0.000) 2.348 5.967 ( -1.458 7.413 0.000) 7.555 6.186 ( 12.232 3.252 0.000) 12.657 6.333 ( 14.252 -3.209 0.000) 14.609 6.387 ( 4.913 15.130 0.000) 15.908 6.670 ( -0.245 -9.553 0.000) 9.556 6.845 ( 3.302 -15.925 0.000) 16.264 7.252 ( 5.607 -19.562 0.000) 20.350 7.263 ( -0.685 -2.088 0.000) 2.197 7.326 ( 3.506 -4.006 0.000) 5.324 8.509 ( 1.057 13.770 0.000) 13.810 8.844 ( 13.088 7.556 0.000) 15.112 9.031 ( 8.298 -2.289 0.000) 8.608 9.052 ( -0.527 -14.616 0.000) 14.626 9.498 ( 21.446 6.927 0.000) 22.537 9.753 ( 22.405 -2.335 0.000) 22.526 9.828 ( 8.518 9.480 0.000) 12.744 10.186 ( 9.528 -5.076 0.000) 10.796 10.684 ( -1.748 24.121 0.000) 24.184 11.370 ( -4.450 -12.125 0.000) 12.916 11.654 ( 2.364 4.108 0.000) 4.740 11.793 ( 1.904 -2.124 0.000) 2.852 12.621 ( 4.456 6.082 0.000) 7.540 12.757 ( 0.748 52.361 0.000) 52.366 12.828 ( 12.701 -3.372 0.000) 13.141 12.958 ( 0.615 44.585 0.000) 44.589 12.978 ( -1.226 31.371 0.000) 31.395 13.793 ( -7.024 -20.589 0.000) 21.754 14.079 ( 1.275 26.067 0.000) 26.099 14.188 ( -2.223 18.084 0.000) 18.221 14.486 ( -7.795 -21.271 0.000) 22.654 14.672 ( -3.737 -13.136 0.000) 13.657 14.809 ( 0.702 -33.676 0.000) 33.683 14.946 ( 9.547 -9.880 0.000) 13.739 15.178 ( -1.177 -10.928 0.000) 10.991 15.203 ( 4.234 -20.539 0.000) 20.970 15.747 ( 0.657 10.033 0.000) 10.054 15.874 ( -4.736 6.108 0.000) 7.729 16.270 ( -9.490 -11.681 0.000) 15.050 16.291 ( -1.811 -18.620 0.000) 18.708 16.869 ( -6.687 7.279 0.000) 9.884 17.166 ( -7.336 -6.945 0.000) 10.102 18.198 ( -32.419 9.332 0.000) 33.736 18.436 ( -22.113 10.045 0.000) 24.288 18.541 ( -34.560 -8.549 0.000) 35.601 18.834 ( -24.151 -8.578 0.000) 25.629 19.468 ( 22.090 11.081 0.000) 24.714 19.884 ( 33.245 -1.196 0.000) 33.267 19.911 ( 22.111 -10.450 0.000) 24.457 19.993 ( 30.253 -5.450 0.000) 30.740 22.222 ( 0.341 7.788 0.000) 7.795 22.557 ( -0.498 -9.138 0.000) 9.152 23.286 ( -8.506 0.114 0.000) 8.507 23.349 ( -7.485 -3.783 0.000) 8.387 ======================= Grid point 46 (27/108) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 14.474 19.212 0.000) 24.054 2.527 ( 8.844 20.739 0.000) 22.545 3.064 ( 1.996 -10.229 0.000) 10.422 3.068 ( -0.495 -3.329 0.000) 3.366 3.306 ( -4.324 -1.948 0.000) 4.742 3.377 ( -0.145 1.338 0.000) 1.346 3.415 ( 4.316 -10.204 0.000) 11.079 3.473 ( 2.267 -4.135 0.000) 4.716 3.670 ( -6.624 20.138 0.000) 21.200 3.954 ( -8.345 5.046 0.000) 9.752 4.194 ( -8.959 -3.976 0.000) 9.801 4.417 ( -7.009 -12.978 0.000) 14.750 4.455 ( -6.945 6.570 0.000) 9.560 4.704 ( 13.457 27.782 0.000) 30.869 4.791 ( -11.473 -9.643 0.000) 14.988 5.557 ( -5.016 -0.720 0.000) 5.067 5.563 ( 8.086 11.635 0.000) 14.169 5.618 ( -4.999 6.544 0.000) 8.235 5.786 ( 1.721 0.235 0.000) 1.737 5.916 ( -4.109 2.126 0.000) 4.626 6.436 ( 12.861 4.586 0.000) 13.654 6.469 ( 4.623 6.327 0.000) 7.836 6.598 ( 12.034 -3.555 0.000) 12.549 6.727 ( 5.533 3.278 0.000) 6.431 6.964 ( 8.977 -10.717 0.000) 13.980 7.257 ( 0.375 2.879 0.000) 2.903 7.407 ( 4.395 -3.337 0.000) 5.518 7.411 ( 10.289 -18.379 0.000) 21.063 8.537 ( 1.712 12.099 0.000) 12.219 9.005 ( -0.045 8.104 0.000) 8.104 9.035 ( -1.179 -13.473 0.000) 13.525 9.140 ( 2.004 -0.483 0.000) 2.062 9.989 ( 22.857 7.018 0.000) 23.910 10.090 ( 20.925 5.838 0.000) 21.724 10.331 ( 34.050 -2.172 0.000) 34.120 10.530 ( 24.527 -6.718 0.000) 25.430 10.636 ( -3.136 20.761 0.000) 20.997 11.245 ( -8.243 -10.843 0.000) 13.621 11.765 ( 11.328 6.810 0.000) 13.217 11.957 ( 16.693 -1.064 0.000) 16.727 12.735 ( -4.216 39.137 0.000) 39.363 12.790 ( 12.799 10.162 0.000) 16.342 12.939 ( 0.303 30.194 0.000) 30.195 13.011 ( 2.333 52.984 0.000) 53.035 13.143 ( 19.454 -4.292 0.000) 19.921 13.603 ( -11.789 -16.694 0.000) 20.437 14.015 ( -7.784 15.037 0.000) 16.932 14.212 ( 4.666 30.679 0.000) 31.032 14.335 ( -7.779 -12.033 0.000) 14.328 14.596 ( -3.120 -11.335 0.000) 11.757 14.819 ( 0.173 -33.383 0.000) 33.384 15.110 ( 3.667 -12.299 0.000) 12.834 15.142 ( -0.423 -9.528 0.000) 9.538 15.324 ( 7.843 -20.211 0.000) 21.679 15.753 ( -0.264 8.316 0.000) 8.320 15.755 ( -7.140 0.774 0.000) 7.182 16.034 ( -13.344 -10.601 0.000) 17.042 16.245 ( -2.666 -18.273 0.000) 18.466 16.681 ( -12.190 8.974 0.000) 15.136 16.977 ( -11.466 -4.435 0.000) 12.294 17.647 ( -23.021 5.220 0.000) 23.605 17.882 ( -31.836 -7.075 0.000) 32.613 17.996 ( -23.475 4.351 0.000) 23.875 18.316 ( -27.127 -9.263 0.000) 28.664 19.938 ( 24.490 9.316 0.000) 26.202 20.315 ( 19.324 -9.562 0.000) 21.560 20.475 ( 26.202 -4.248 0.000) 26.544 20.536 ( 25.024 -5.578 0.000) 25.639 22.225 ( -0.206 7.430 0.000) 7.433 22.537 ( -1.588 -8.390 0.000) 8.539 23.053 ( -14.904 0.751 0.000) 14.923 23.140 ( -13.647 -3.938 0.000) 14.203 ======================= Grid point 47 (28/108) ======================= q-point: ( 0.30 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( 8.431 15.665 0.000) 17.790 2.712 ( 10.906 12.843 0.000) 16.849 3.011 ( -4.839 -0.981 0.000) 4.937 3.093 ( 1.639 -6.727 0.000) 6.923 3.207 ( -5.321 0.675 0.000) 5.364 3.334 ( -4.473 4.056 0.000) 6.038 3.483 ( -2.526 -2.451 0.000) 3.520 3.495 ( 3.362 -12.995 0.000) 13.422 3.601 ( -0.250 13.504 0.000) 13.506 3.874 ( -0.741 -4.783 0.000) 4.840 3.977 ( -10.698 -5.908 0.000) 12.221 4.209 ( -12.663 -13.872 0.000) 18.782 4.361 ( -1.086 4.952 0.000) 5.069 4.643 ( -2.781 -9.748 0.000) 10.137 4.993 ( 13.389 19.033 0.000) 23.271 5.399 ( -8.647 10.875 0.000) 13.893 5.527 ( -7.528 -6.121 0.000) 9.703 5.728 ( 6.816 6.893 0.000) 9.694 5.836 ( -2.102 -5.125 0.000) 5.539 5.848 ( 4.145 0.493 0.000) 4.174 6.603 ( 8.577 8.985 0.000) 12.422 6.669 ( 10.620 4.761 0.000) 11.638 6.789 ( 7.816 -1.148 0.000) 7.900 6.847 ( 6.338 4.769 0.000) 7.932 7.168 ( 10.968 -1.409 0.000) 11.058 7.295 ( 3.993 7.456 0.000) 8.458 7.483 ( 3.176 -1.667 0.000) 3.586 7.620 ( 9.871 -15.698 0.000) 18.543 8.571 ( 1.672 9.538 0.000) 9.684 8.892 ( -9.183 8.149 0.000) 12.277 9.004 ( -2.112 -11.934 0.000) 12.119 9.091 ( -6.122 -2.789 0.000) 6.728 10.241 ( 7.145 7.755 0.000) 10.545 10.537 ( 15.439 -6.508 0.000) 16.755 10.565 ( -4.019 16.038 0.000) 16.534 11.002 ( 35.125 2.615 0.000) 35.222 11.063 ( -9.933 -9.188 0.000) 13.531 11.088 ( 31.639 -2.088 0.000) 31.708 12.182 ( 30.761 13.458 0.000) 33.576 12.416 ( 27.789 3.924 0.000) 28.065 12.595 ( -9.468 24.668 0.000) 26.423 12.955 ( -2.016 28.151 0.000) 28.223 13.028 ( -0.608 48.745 0.000) 48.749 13.112 ( 19.693 13.410 0.000) 23.825 13.387 ( -7.898 -1.049 0.000) 7.967 13.581 ( 25.223 -3.084 0.000) 25.411 13.844 ( -8.029 14.576 0.000) 16.641 14.174 ( -9.067 -4.390 0.000) 10.074 14.310 ( 4.234 19.577 0.000) 20.030 14.597 ( 4.915 -5.325 0.000) 7.247 14.802 ( -2.717 -28.191 0.000) 28.321 15.007 ( -9.374 -9.503 0.000) 13.349 15.180 ( -1.826 -11.155 0.000) 11.303 15.489 ( 7.983 -18.438 0.000) 20.092 15.583 ( -10.894 -2.490 0.000) 11.175 15.743 ( 0.269 6.798 0.000) 6.804 15.817 ( -8.162 -12.854 0.000) 15.226 16.200 ( -1.621 -17.946 0.000) 18.019 16.424 ( -12.757 10.329 0.000) 16.414 16.738 ( -12.754 -3.809 0.000) 13.310 17.280 ( -19.272 -0.774 0.000) 19.287 17.361 ( -16.871 -4.719 0.000) 17.518 17.506 ( -26.902 2.006 0.000) 26.977 17.822 ( -22.675 -9.890 0.000) 24.738 20.400 ( 22.750 4.575 0.000) 23.205 20.666 ( 16.722 -8.611 0.000) 18.808 20.891 ( 16.615 -4.600 0.000) 17.240 20.953 ( 17.283 -6.724 0.000) 18.545 22.210 ( -1.273 6.953 0.000) 7.069 22.492 ( -3.105 -7.337 0.000) 7.967 22.731 ( -17.432 1.731 0.000) 17.518 22.840 ( -16.405 -3.946 0.000) 16.872 ======================= Grid point 48 (29/108) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( 2.068 6.335 0.000) 6.664 2.850 ( 5.432 8.653 0.000) 10.217 2.927 ( -0.623 1.121 0.000) 1.282 3.120 ( -0.741 -6.961 0.000) 7.000 3.123 ( -2.898 1.373 0.000) 3.207 3.239 ( -4.576 2.032 0.000) 5.007 3.402 ( -3.217 -1.538 0.000) 3.566 3.525 ( -0.840 -14.793 0.000) 14.816 3.640 ( 3.539 7.457 0.000) 8.254 3.786 ( -4.233 -1.441 0.000) 4.471 3.894 ( -2.310 -3.985 0.000) 4.607 3.979 ( -9.624 -8.022 0.000) 12.529 4.460 ( 10.469 0.909 0.000) 10.509 4.698 ( 8.675 -10.522 0.000) 13.637 4.994 ( -12.413 3.175 0.000) 12.813 5.282 ( -15.635 -8.143 0.000) 17.628 5.457 ( 13.007 14.123 0.000) 19.200 5.802 ( 0.578 4.503 0.000) 4.540 5.848 ( 2.021 -4.177 0.000) 4.641 5.896 ( -0.178 -0.490 0.000) 0.521 6.763 ( 6.931 8.876 0.000) 11.261 6.825 ( 4.842 5.322 0.000) 7.195 6.920 ( 5.652 1.876 0.000) 5.956 6.956 ( 4.194 3.087 0.000) 5.207 7.363 ( 8.532 5.465 0.000) 10.132 7.418 ( 8.305 7.495 0.000) 11.187 7.526 ( 1.367 1.433 0.000) 1.981 7.736 ( 0.572 -8.882 0.000) 8.900 8.601 ( 1.433 6.162 0.000) 6.327 8.720 ( -6.967 5.503 0.000) 8.878 8.953 ( -2.882 -10.297 0.000) 10.693 8.962 ( -5.598 -5.434 0.000) 7.802 10.331 ( 3.296 8.037 0.000) 8.687 10.482 ( -4.438 11.523 0.000) 12.348 10.694 ( 3.824 -10.339 0.000) 11.024 10.882 ( -8.057 -8.222 0.000) 11.512 11.659 ( 25.771 3.986 0.000) 26.078 11.688 ( 33.413 3.700 0.000) 33.617 12.377 ( -13.002 16.643 0.000) 21.120 12.723 ( -19.188 5.324 0.000) 19.913 12.808 ( 27.267 22.779 0.000) 35.530 12.933 ( 24.195 14.853 0.000) 28.390 13.056 ( 2.286 47.887 0.000) 47.942 13.336 ( 0.330 22.380 0.000) 22.382 13.462 ( 11.397 17.969 0.000) 21.279 13.815 ( 11.212 8.223 0.000) 13.904 13.964 ( -12.999 2.679 0.000) 13.272 14.114 ( 27.962 -2.296 0.000) 28.056 14.381 ( 4.968 -8.821 0.000) 10.124 14.643 ( -15.829 -12.238 0.000) 20.008 14.776 ( -13.040 -19.622 0.000) 23.560 14.820 ( 17.024 4.714 0.000) 17.664 15.033 ( -13.241 -7.501 0.000) 15.217 15.393 ( -7.940 -2.891 0.000) 8.450 15.558 ( -1.052 -5.327 0.000) 5.430 15.645 ( -10.151 -7.792 0.000) 12.796 15.843 ( 10.365 -4.932 0.000) 11.479 16.199 ( 2.059 -17.473 0.000) 17.594 16.244 ( -6.182 0.982 0.000) 6.259 16.494 ( -11.742 -6.522 0.000) 13.432 16.908 ( -15.354 3.527 0.000) 15.754 16.993 ( -23.293 5.880 0.000) 24.024 17.211 ( -2.035 -9.534 0.000) 9.749 17.455 ( -14.729 -12.396 0.000) 19.251 20.813 ( 19.153 -0.292 0.000) 19.155 20.964 ( 13.516 -7.829 0.000) 15.619 21.120 ( 6.417 -4.613 0.000) 7.903 21.184 ( 5.667 -7.443 0.000) 9.355 22.185 ( -0.667 6.235 0.000) 6.271 22.413 ( -14.098 3.066 0.000) 14.428 22.424 ( -3.293 -5.969 0.000) 6.817 22.544 ( -12.516 -3.655 0.000) 13.039 ======================= Grid point 49 (30/108) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( -0.619 3.943 0.000) 3.992 2.848 ( 0.619 3.943 0.000) 3.992 3.059 ( -7.136 -5.273 0.000) 8.873 3.059 ( 7.136 -5.272 0.000) 8.873 3.113 ( -3.602 5.434 0.000) 6.519 3.113 ( 3.602 5.434 0.000) 6.519 3.453 ( -5.643 -10.926 0.000) 12.297 3.453 ( 5.643 -10.926 0.000) 12.297 3.718 ( -3.902 3.653 0.000) 5.345 3.718 ( 3.902 3.653 0.000) 5.345 3.871 ( -1.394 -3.467 0.000) 3.737 3.871 ( 1.394 -3.467 0.000) 3.737 4.713 ( -14.643 0.677 0.000) 14.658 4.713 ( 14.643 0.677 0.000) 14.658 4.957 ( -16.445 -10.213 0.000) 19.358 4.957 ( 16.445 -10.213 0.000) 19.358 5.706 ( -10.325 6.894 0.000) 12.415 5.706 ( 10.325 6.894 0.000) 12.415 5.879 ( -0.972 -0.988 0.000) 1.386 5.879 ( 0.972 -0.988 0.000) 1.386 6.852 ( -1.898 7.160 0.000) 7.408 6.852 ( 1.898 7.160 0.000) 7.408 6.990 ( -1.015 2.066 0.000) 2.302 6.990 ( 1.015 2.066 0.000) 2.302 7.481 ( -3.161 6.173 0.000) 6.935 7.481 ( 3.161 6.173 0.000) 6.935 7.635 ( -9.244 0.849 0.000) 9.282 7.635 ( 9.244 0.849 0.000) 9.282 8.635 ( -2.451 3.485 0.000) 4.261 8.635 ( 2.451 3.485 0.000) 4.261 8.911 ( -0.511 -8.137 0.000) 8.153 8.911 ( 0.511 -8.137 0.000) 8.153 10.399 ( -3.927 8.909 0.000) 9.737 10.399 ( 3.927 8.909 0.000) 9.737 10.762 ( -4.277 -9.008 0.000) 9.972 10.762 ( 4.277 -9.008 0.000) 9.972 12.080 ( -17.939 10.132 0.000) 20.603 12.080 ( 17.939 10.132 0.000) 20.603 12.274 ( -26.580 2.286 0.000) 26.678 12.274 ( 26.580 2.286 0.000) 26.678 13.069 ( -2.842 43.218 0.000) 43.311 13.069 ( 2.842 43.218 0.000) 43.311 13.292 ( -8.173 21.891 0.000) 23.367 13.292 ( 8.173 21.891 0.000) 23.367 13.670 ( -15.283 8.591 0.000) 17.532 13.670 ( 15.283 8.591 0.000) 17.532 14.224 ( -24.670 1.391 0.000) 24.709 14.224 ( 24.670 1.391 0.000) 24.709 14.517 ( -12.841 -17.881 0.000) 22.014 14.517 ( 12.841 -17.881 0.000) 22.014 14.668 ( -23.475 -9.678 0.000) 25.392 14.668 ( 23.475 -9.678 0.000) 25.392 15.174 ( -16.398 0.652 0.000) 16.411 15.174 ( 16.398 0.652 0.000) 16.411 15.530 ( -0.382 -1.435 0.000) 1.485 15.530 ( 0.382 -1.435 0.000) 1.485 16.077 ( -11.852 -8.027 0.000) 14.314 16.077 ( 11.852 -8.027 0.000) 14.314 16.301 ( -8.259 -14.862 0.000) 17.002 16.301 ( 8.259 -14.862 0.000) 17.002 16.740 ( -0.364 10.121 0.000) 10.127 16.740 ( 0.364 10.121 0.000) 10.127 17.252 ( -6.164 -12.796 0.000) 14.203 17.252 ( 6.164 -12.796 0.000) 14.203 21.105 ( -8.953 -4.072 0.000) 9.836 21.105 ( 8.953 -4.072 0.000) 9.836 21.165 ( -6.480 -7.188 0.000) 9.678 21.165 ( 6.480 -7.188 0.000) 9.678 22.220 ( -5.309 4.861 0.000) 7.198 22.220 ( 5.309 4.861 0.000) 7.198 22.400 ( -2.095 -4.316 0.000) 4.798 22.400 ( 2.095 -4.316 0.000) 4.798 ======================= Grid point 55 (31/108) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 0.000 -23.013 0.000) 23.013 2.566 ( 0.000 23.013 0.000) 23.013 2.729 ( 0.000 -20.642 0.000) 20.642 2.729 ( 0.000 20.642 0.000) 20.642 3.332 ( 0.000 -3.867 0.000) 3.867 3.332 ( 0.000 3.867 0.000) 3.867 3.417 ( 0.000 -2.121 0.000) 2.121 3.417 ( 0.000 2.121 0.000) 2.121 4.250 ( 0.000 -16.501 0.000) 16.501 4.250 ( 0.000 16.501 0.000) 16.501 4.315 ( 0.000 -0.932 0.000) 0.932 4.315 ( 0.000 0.932 0.000) 0.932 4.916 ( 0.000 -13.124 0.000) 13.124 4.916 ( 0.000 13.124 0.000) 13.124 5.101 ( 0.000 -37.743 0.000) 37.743 5.101 ( 0.000 37.743 0.000) 37.743 5.744 ( 0.000 -6.902 0.000) 6.902 5.744 ( 0.000 6.902 0.000) 6.902 6.091 ( 0.000 -4.135 0.000) 4.135 6.091 ( 0.000 4.135 0.000) 4.135 6.098 ( 0.000 -9.936 0.000) 9.936 6.098 ( 0.000 9.936 0.000) 9.936 6.537 ( 0.000 -7.027 0.000) 7.027 6.537 ( 0.000 7.027 0.000) 7.027 6.778 ( 0.000 -23.470 0.000) 23.470 6.778 ( 0.000 23.470 0.000) 23.470 7.238 ( 0.000 -0.521 0.000) 0.521 7.238 ( 0.000 0.521 0.000) 0.521 8.773 ( 0.000 -14.623 0.000) 14.623 8.773 ( 0.000 14.623 0.000) 14.623 8.821 ( 0.000 -6.187 0.000) 6.187 8.821 ( 0.000 6.187 0.000) 6.187 9.398 ( 0.000 -6.628 0.000) 6.628 9.398 ( 0.000 6.628 0.000) 6.628 9.986 ( 0.000 -9.125 0.000) 9.125 9.986 ( 0.000 9.125 0.000) 9.125 11.118 ( 0.000 -18.579 0.000) 18.579 11.118 ( 0.000 18.579 0.000) 18.579 11.722 ( 0.000 -4.154 0.000) 4.154 11.722 ( 0.000 4.154 0.000) 4.154 12.641 ( 0.000 -1.680 0.000) 1.680 12.641 ( 0.000 1.680 0.000) 1.680 13.388 ( 0.000 -16.186 0.000) 16.186 13.388 ( 0.000 16.186 0.000) 16.186 13.785 ( 0.000 -43.718 0.000) 43.718 13.785 ( 0.000 43.718 0.000) 43.718 13.965 ( 0.000 -49.487 0.000) 49.487 13.965 ( 0.000 49.487 0.000) 49.487 14.424 ( 0.000 -15.075 0.000) 15.075 14.424 ( 0.000 15.075 0.000) 15.075 14.693 ( 0.000 -28.303 0.000) 28.303 14.693 ( 0.000 28.303 0.000) 28.303 14.986 ( 0.000 -10.186 0.000) 10.186 14.986 ( 0.000 10.186 0.000) 10.186 15.985 ( 0.000 -14.929 0.000) 14.929 15.985 ( 0.000 14.929 0.000) 14.929 16.124 ( 0.000 -12.373 0.000) 12.373 16.124 ( 0.000 12.373 0.000) 12.373 17.080 ( 0.000 -8.249 0.000) 8.249 17.080 ( 0.000 8.249 0.000) 8.249 18.872 ( 0.000 -9.604 0.000) 9.604 18.872 ( 0.000 9.604 0.000) 9.604 19.020 ( 0.000 -2.268 0.000) 2.268 19.020 ( 0.000 2.268 0.000) 2.268 19.340 ( 0.000 -4.746 0.000) 4.746 19.340 ( 0.000 4.746 0.000) 4.746 19.438 ( 0.000 -2.018 0.000) 2.018 19.438 ( 0.000 2.018 0.000) 2.018 22.382 ( 0.000 -9.185 0.000) 9.185 22.382 ( 0.000 9.185 0.000) 9.185 23.379 ( 0.000 -1.115 0.000) 1.115 23.379 ( 0.000 1.115 0.000) 1.115 ======================= Grid point 57 (32/108) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( 6.751 -21.489 0.000) 22.524 2.636 ( 6.751 21.489 0.000) 22.524 2.781 ( 4.775 -19.418 0.000) 19.997 2.781 ( 4.775 19.418 0.000) 19.997 3.322 ( -0.910 -2.503 0.000) 2.664 3.322 ( -0.910 2.503 0.000) 2.664 3.412 ( -0.351 -2.165 0.000) 2.194 3.412 ( -0.351 2.165 0.000) 2.194 4.206 ( -4.745 -18.784 0.000) 19.374 4.206 ( -4.745 18.784 0.000) 19.374 4.258 ( -5.989 -4.589 0.000) 7.545 4.258 ( -5.989 4.589 0.000) 7.545 4.812 ( -9.721 -12.431 0.000) 15.781 4.812 ( -9.721 12.431 0.000) 15.781 5.131 ( 3.206 -33.549 0.000) 33.702 5.131 ( 3.206 33.549 0.000) 33.702 5.700 ( -1.139 -8.239 0.000) 8.318 5.700 ( -1.139 8.239 0.000) 8.318 6.026 ( -7.024 -10.138 0.000) 12.333 6.026 ( -7.024 10.138 0.000) 12.333 6.260 ( 13.201 -4.265 0.000) 13.873 6.260 ( 13.201 4.265 0.000) 13.873 6.560 ( 2.735 -10.865 0.000) 11.204 6.560 ( 2.735 10.865 0.000) 11.204 6.851 ( 7.312 -21.440 0.000) 22.652 6.851 ( 7.312 21.440 0.000) 22.652 7.263 ( 2.514 -2.078 0.000) 3.261 7.263 ( 2.514 2.078 0.000) 3.261 8.775 ( 0.197 -14.257 0.000) 14.259 8.775 ( 0.197 14.257 0.000) 14.259 8.962 ( 11.508 -4.906 0.000) 12.510 8.962 ( 11.508 4.906 0.000) 12.510 9.631 ( 21.881 -7.119 0.000) 23.010 9.631 ( 21.881 7.119 0.000) 23.010 10.047 ( 7.868 -9.793 0.000) 12.563 10.047 ( 7.868 9.793 0.000) 12.563 11.084 ( -3.416 -17.956 0.000) 18.278 11.084 ( -3.416 17.956 0.000) 18.278 11.733 ( 2.292 -3.919 0.000) 4.540 11.733 ( 2.292 3.919 0.000) 4.540 12.734 ( 9.231 -5.820 0.000) 10.913 12.734 ( 9.231 5.820 0.000) 10.913 13.334 ( -5.482 -16.947 0.000) 17.811 13.334 ( -5.482 16.947 0.000) 17.811 13.781 ( -0.425 -38.395 0.000) 38.398 13.781 ( -0.425 38.395 0.000) 38.398 13.990 ( 2.426 -44.557 0.000) 44.623 13.990 ( 2.426 44.557 0.000) 44.623 14.397 ( -2.900 -14.586 0.000) 14.871 14.397 ( -2.900 14.586 0.000) 14.871 14.731 ( 3.922 -28.788 0.000) 29.053 14.731 ( 3.922 28.788 0.000) 29.053 15.004 ( 1.673 -7.811 0.000) 7.988 15.004 ( 1.673 7.811 0.000) 7.988 15.975 ( -1.055 -14.217 0.000) 14.257 15.975 ( -1.055 14.217 0.000) 14.257 16.046 ( -7.673 -11.119 0.000) 13.509 16.046 ( -7.673 11.119 0.000) 13.509 17.019 ( -6.139 -8.158 0.000) 10.210 17.019 ( -6.139 8.158 0.000) 10.210 18.372 ( -33.691 -9.019 0.000) 34.878 18.372 ( -33.691 9.019 0.000) 34.878 18.642 ( -25.438 -10.982 0.000) 27.707 18.642 ( -25.438 10.982 0.000) 27.707 19.694 ( 22.893 -12.042 0.000) 25.867 19.694 ( 22.893 12.042 0.000) 25.867 19.907 ( 30.812 -3.215 0.000) 30.980 19.907 ( 30.812 3.215 0.000) 30.980 22.382 ( -0.008 -8.957 0.000) 8.957 22.382 ( -0.008 8.957 0.000) 8.957 23.300 ( -7.927 -1.510 0.000) 8.069 23.300 ( -7.927 1.510 0.000) 8.069 ======================= Grid point 59 (33/108) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( 8.899 -16.831 0.000) 19.039 2.799 ( 8.899 16.831 0.000) 19.039 2.879 ( 4.337 -15.543 0.000) 16.137 2.879 ( 4.337 15.543 0.000) 16.137 3.302 ( -0.983 -1.992 0.000) 2.221 3.302 ( -0.983 1.992 0.000) 2.221 3.411 ( 0.406 -2.316 0.000) 2.351 3.411 ( 0.406 2.316 0.000) 2.351 4.068 ( -8.814 -20.758 0.000) 22.552 4.068 ( -8.814 20.758 0.000) 22.552 4.081 ( -11.549 -7.221 0.000) 13.621 4.081 ( -11.549 7.221 0.000) 13.621 4.606 ( -9.711 -9.149 0.000) 13.342 4.606 ( -9.711 9.149 0.000) 13.342 5.225 ( 6.068 -24.638 0.000) 25.374 5.225 ( 6.068 24.638 0.000) 25.374 5.736 ( 4.182 -5.941 0.000) 7.265 5.736 ( 4.182 5.941 0.000) 7.265 5.845 ( -10.873 -10.093 0.000) 14.836 5.845 ( -10.873 10.093 0.000) 14.836 6.520 ( 12.763 -4.375 0.000) 13.492 6.520 ( 12.763 4.375 0.000) 13.492 6.652 ( 6.533 -11.799 0.000) 13.487 6.652 ( 6.533 11.799 0.000) 13.487 7.051 ( 12.650 -17.903 0.000) 21.921 7.051 ( 12.650 17.903 0.000) 21.921 7.330 ( 4.166 -4.394 0.000) 6.055 7.330 ( 4.166 4.394 0.000) 6.055 8.779 ( 0.106 -13.218 0.000) 13.219 8.779 ( 0.106 13.218 0.000) 13.219 9.110 ( 1.015 -3.166 0.000) 3.325 9.110 ( 1.015 3.166 0.000) 3.325 10.101 ( 21.726 -4.246 0.000) 22.137 10.101 ( 21.726 4.246 0.000) 22.137 10.388 ( 28.250 -7.281 0.000) 29.173 10.388 ( 28.250 7.281 0.000) 29.173 10.988 ( -6.303 -16.077 0.000) 17.268 10.988 ( -6.303 16.077 0.000) 17.268 11.888 ( 15.882 -5.593 0.000) 16.838 11.888 ( 15.882 5.593 0.000) 16.838 12.989 ( 16.842 -10.219 0.000) 19.700 12.989 ( 16.842 10.219 0.000) 19.700 13.178 ( -10.409 -16.743 0.000) 19.715 13.178 ( -10.409 16.743 0.000) 19.715 13.770 ( -0.690 -27.725 0.000) 27.734 13.770 ( -0.690 27.725 0.000) 27.734 14.052 ( 3.489 -36.470 0.000) 36.637 14.052 ( 3.489 36.470 0.000) 36.637 14.311 ( -5.817 -15.294 0.000) 16.363 14.311 ( -5.817 15.294 0.000) 16.363 14.843 ( 7.342 -29.860 0.000) 30.749 14.843 ( 7.342 29.860 0.000) 30.749 15.033 ( 0.684 -2.638 0.000) 2.725 15.033 ( 0.684 2.638 0.000) 2.725 15.850 ( -11.665 -8.163 0.000) 14.238 15.850 ( -11.665 8.163 0.000) 14.238 15.947 ( -1.667 -12.656 0.000) 12.765 15.947 ( -1.667 12.656 0.000) 12.765 16.851 ( -10.809 -8.331 0.000) 13.647 16.851 ( -10.809 8.331 0.000) 13.647 17.755 ( -28.420 -6.192 0.000) 29.086 17.755 ( -28.420 6.192 0.000) 29.086 18.133 ( -26.395 -9.223 0.000) 27.959 18.133 ( -26.395 9.223 0.000) 27.959 20.126 ( 21.111 -10.133 0.000) 23.417 20.126 ( 21.111 10.133 0.000) 23.417 20.459 ( 25.053 -2.075 0.000) 25.139 20.459 ( 25.053 2.075 0.000) 25.139 22.376 ( -0.768 -8.363 0.000) 8.398 22.376 ( -0.768 8.363 0.000) 8.398 23.081 ( -14.117 -2.234 0.000) 14.293 23.081 ( -14.117 2.234 0.000) 14.293 ======================= Grid point 61 (34/108) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.931 ( 1.064 -8.233 0.000) 8.301 2.931 ( 1.064 8.233 0.000) 8.301 2.936 ( 4.391 -10.103 0.000) 11.016 2.936 ( 4.391 10.103 0.000) 11.016 3.285 ( -0.986 -7.983 0.000) 8.043 3.285 ( -0.986 7.983 0.000) 8.043 3.412 ( -1.725 -4.469 0.000) 4.791 3.412 ( -1.725 4.469 0.000) 4.791 3.874 ( -7.299 -4.014 0.000) 8.330 3.874 ( -7.299 4.014 0.000) 8.330 3.898 ( -7.586 -17.059 0.000) 18.670 3.898 ( -7.586 17.059 0.000) 18.670 4.477 ( -2.721 -7.419 0.000) 7.902 4.477 ( -2.721 7.419 0.000) 7.902 5.307 ( -1.163 -14.072 0.000) 14.120 5.307 ( -1.163 14.072 0.000) 14.120 5.658 ( -5.079 -12.573 0.000) 13.560 5.658 ( -5.079 12.573 0.000) 13.560 5.825 ( 4.100 -3.139 0.000) 5.164 5.825 ( 4.100 3.139 0.000) 5.164 6.745 ( 10.136 -3.244 0.000) 10.642 6.745 ( 10.136 3.244 0.000) 10.642 6.794 ( 7.371 -9.090 0.000) 11.703 6.794 ( 7.371 9.090 0.000) 11.703 7.315 ( 13.500 -14.807 0.000) 20.038 7.315 ( 13.500 14.807 0.000) 20.038 7.419 ( 4.892 -5.115 0.000) 7.078 7.419 ( 4.892 5.115 0.000) 7.078 8.775 ( -0.571 -11.670 0.000) 11.684 8.775 ( -0.571 11.670 0.000) 11.684 9.018 ( -8.597 -5.074 0.000) 9.983 9.018 ( -8.597 5.074 0.000) 9.983 10.394 ( 8.806 -8.093 0.000) 11.961 10.394 ( 8.806 8.093 0.000) 11.961 10.848 ( -7.815 -13.285 0.000) 15.413 10.848 ( -7.815 13.285 0.000) 15.413 11.047 ( 36.028 -2.201 0.000) 36.095 11.047 ( 36.028 2.201 0.000) 36.095 12.379 ( 32.754 -6.805 0.000) 33.454 12.379 ( 32.754 6.805 0.000) 33.454 12.935 ( -14.425 -14.116 0.000) 20.182 12.935 ( -14.425 14.116 0.000) 20.182 13.383 ( 23.230 -13.931 0.000) 27.087 13.383 ( 23.230 13.931 0.000) 27.087 13.760 ( -0.158 -19.623 0.000) 19.624 13.760 ( -0.158 19.623 0.000) 19.624 14.098 ( 0.389 -33.217 0.000) 33.219 14.098 ( 0.389 33.217 0.000) 33.219 14.184 ( -6.712 -18.275 0.000) 19.468 14.184 ( -6.712 18.275 0.000) 19.468 14.999 ( -5.018 -6.196 0.000) 7.974 14.999 ( -5.018 6.196 0.000) 7.974 15.008 ( 9.361 -30.398 0.000) 31.807 15.008 ( 9.361 30.398 0.000) 31.807 15.627 ( -10.452 -6.669 0.000) 12.399 15.627 ( -10.452 6.669 0.000) 12.399 15.918 ( -0.994 -11.570 0.000) 11.613 15.918 ( -0.994 11.570 0.000) 11.613 16.613 ( -13.234 -8.879 0.000) 15.936 16.613 ( -13.234 8.879 0.000) 15.936 17.293 ( -18.710 -2.204 0.000) 18.840 17.293 ( -18.710 2.204 0.000) 18.840 17.627 ( -25.040 -9.560 0.000) 26.803 17.627 ( -25.040 9.560 0.000) 26.803 20.513 ( 18.688 -7.153 0.000) 20.010 20.513 ( 18.688 7.153 0.000) 20.010 20.868 ( 16.664 -1.939 0.000) 16.776 20.868 ( 16.664 1.939 0.000) 16.776 22.349 ( -2.030 -7.521 0.000) 7.790 22.349 ( -2.030 7.521 0.000) 7.790 22.774 ( -16.599 -2.862 0.000) 16.844 22.774 ( -16.599 2.862 0.000) 16.844 ======================= Grid point 63 (35/108) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.936 ( -0.059 -0.893 0.000) 0.895 2.936 ( -0.059 0.893 0.000) 0.895 2.969 ( -0.477 -7.695 0.000) 7.710 2.969 ( -0.477 7.695 0.000) 7.710 3.260 ( -1.298 -12.200 0.000) 12.269 3.260 ( -1.298 12.200 0.000) 12.269 3.324 ( -5.534 -5.511 0.000) 7.810 3.324 ( -5.534 5.511 0.000) 7.810 3.801 ( -2.285 -9.433 0.000) 9.706 3.801 ( -2.285 9.433 0.000) 9.706 3.816 ( -0.837 -3.718 0.000) 3.811 3.816 ( -0.837 3.718 0.000) 3.811 4.532 ( 8.781 -6.493 0.000) 10.921 4.532 ( 8.781 6.493 0.000) 10.921 5.114 ( -15.613 -8.411 0.000) 17.734 5.114 ( -15.613 8.411 0.000) 17.734 5.704 ( 6.482 -10.735 0.000) 12.540 5.704 ( 6.482 10.735 0.000) 12.540 5.870 ( 0.039 -2.459 0.000) 2.459 5.870 ( 0.039 2.459 0.000) 2.459 6.905 ( 5.908 -2.863 0.000) 6.565 6.905 ( 5.908 2.863 0.000) 6.565 6.916 ( 4.749 -6.277 0.000) 7.871 6.916 ( 4.749 6.277 0.000) 7.871 7.518 ( 5.112 -2.704 0.000) 5.784 7.518 ( 5.112 2.704 0.000) 5.784 7.533 ( 7.803 -11.202 0.000) 13.652 7.533 ( 7.803 11.202 0.000) 13.652 8.756 ( -1.182 -9.813 0.000) 9.884 8.756 ( -1.182 9.813 0.000) 9.884 8.843 ( -7.819 -6.783 0.000) 10.351 8.843 ( -7.819 6.783 0.000) 10.351 10.501 ( 3.747 -9.681 0.000) 10.381 10.501 ( 3.747 9.681 0.000) 10.381 10.698 ( -7.162 -10.797 0.000) 12.957 10.698 ( -7.162 10.797 0.000) 12.957 11.706 ( 30.487 -1.041 0.000) 30.505 11.706 ( 30.487 1.041 0.000) 30.505 12.619 ( -18.031 -10.060 0.000) 20.648 12.619 ( -18.031 10.060 0.000) 20.648 13.053 ( 33.824 -3.586 0.000) 34.013 13.053 ( 33.824 3.586 0.000) 34.013 13.762 ( -0.169 -15.008 0.000) 15.009 13.762 ( -0.169 15.008 0.000) 15.009 13.831 ( 16.904 -17.202 0.000) 24.117 13.831 ( 16.904 17.202 0.000) 24.117 14.028 ( -8.124 -35.316 0.000) 36.238 14.028 ( -8.124 35.316 0.000) 36.238 14.107 ( 4.110 -15.001 0.000) 15.554 14.107 ( 4.110 15.001 0.000) 15.554 14.816 ( -14.044 -11.798 0.000) 18.342 14.816 ( -14.044 11.798 0.000) 18.342 15.195 ( 9.269 -26.363 0.000) 27.945 15.195 ( 9.269 26.363 0.000) 27.945 15.459 ( -6.717 -8.494 0.000) 10.829 15.459 ( -6.717 8.494 0.000) 10.829 15.931 ( 3.255 -10.606 0.000) 11.094 15.931 ( 3.255 10.606 0.000) 11.094 16.344 ( -14.251 -7.852 0.000) 16.271 16.344 ( -14.251 7.852 0.000) 16.271 17.031 ( -8.080 -8.714 0.000) 11.883 17.031 ( -8.080 8.714 0.000) 11.883 17.198 ( -17.559 -13.619 0.000) 22.222 17.198 ( -17.559 13.619 0.000) 22.222 20.849 ( 15.370 -4.035 0.000) 15.891 20.849 ( 15.370 4.035 0.000) 15.891 21.094 ( 5.944 -1.865 0.000) 6.230 21.094 ( 5.944 1.865 0.000) 6.230 22.306 ( -1.836 -6.365 0.000) 6.624 22.306 ( -1.836 6.365 0.000) 6.624 22.475 ( -12.880 -3.489 0.000) 13.344 22.475 ( -12.880 3.489 0.000) 13.344 ======================= Grid point 65 (36/108) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( -1.223 -5.958 0.000) 6.082 2.946 ( 1.223 -5.958 0.000) 6.082 2.946 ( -1.223 5.958 0.000) 6.082 2.946 ( 1.223 5.958 0.000) 6.082 3.255 ( -1.310 -9.189 0.000) 9.282 3.255 ( 1.310 -9.189 0.000) 9.282 3.255 ( -1.310 9.189 0.000) 9.282 3.255 ( 1.310 9.189 0.000) 9.282 3.795 ( -1.032 -4.244 0.000) 4.368 3.795 ( 1.032 -4.244 0.000) 4.368 3.795 ( -1.032 4.244 0.000) 4.368 3.795 ( 1.032 4.244 0.000) 4.368 4.790 ( -16.263 -6.922 0.000) 17.675 4.790 ( -16.263 6.922 0.000) 17.675 4.790 ( 16.263 -6.922 0.000) 17.675 4.790 ( 16.263 6.922 0.000) 17.675 5.822 ( -4.735 -4.843 0.000) 6.773 5.822 ( 4.735 -4.843 0.000) 6.773 5.822 ( -4.735 4.843 0.000) 6.773 5.822 ( 4.735 4.843 0.000) 6.773 6.964 ( -0.147 -4.171 0.000) 4.174 6.964 ( 0.147 -4.171 0.000) 4.174 6.964 ( -0.147 4.171 0.000) 4.174 6.964 ( 0.147 4.171 0.000) 4.174 7.593 ( -1.405 -4.789 0.000) 4.991 7.593 ( 1.405 -4.789 0.000) 4.991 7.593 ( -1.405 4.789 0.000) 4.991 7.593 ( 1.405 4.789 0.000) 4.991 8.751 ( -1.549 -8.018 0.000) 8.166 8.751 ( 1.549 -8.018 0.000) 8.166 8.751 ( -1.549 8.018 0.000) 8.166 8.751 ( 1.549 8.018 0.000) 8.166 10.580 ( -4.870 -9.838 0.000) 10.977 10.580 ( 4.870 -9.838 0.000) 10.977 10.580 ( -4.870 9.838 0.000) 10.977 10.580 ( 4.870 9.838 0.000) 10.977 12.224 ( -23.012 -5.512 0.000) 23.663 12.224 ( -23.012 5.512 0.000) 23.663 12.224 ( 23.012 -5.512 0.000) 23.663 12.224 ( 23.012 5.512 0.000) 23.663 13.609 ( -20.634 -6.891 0.000) 21.754 13.609 ( -20.634 6.891 0.000) 21.754 13.609 ( 20.634 -6.891 0.000) 21.754 13.609 ( 20.634 6.891 0.000) 21.754 13.900 ( -0.310 -33.160 0.000) 33.161 13.900 ( 0.310 -33.160 0.000) 33.161 13.900 ( -0.310 33.160 0.000) 33.161 13.900 ( 0.310 33.160 0.000) 33.161 14.458 ( -21.988 -12.381 0.000) 25.234 14.458 ( 21.988 -12.381 0.000) 25.234 14.458 ( -21.988 12.381 0.000) 25.234 14.458 ( 21.988 12.381 0.000) 25.234 15.345 ( -6.040 -14.306 0.000) 15.529 15.345 ( 6.040 -14.306 0.000) 15.529 15.345 ( -6.040 14.306 0.000) 15.529 15.345 ( 6.040 14.306 0.000) 15.529 16.078 ( -11.791 -7.598 0.000) 14.027 16.078 ( 11.791 -7.598 0.000) 14.027 16.078 ( -11.791 7.598 0.000) 14.027 16.078 ( 11.791 7.598 0.000) 14.027 16.986 ( -3.939 -14.406 0.000) 14.935 16.986 ( 3.939 -14.406 0.000) 14.935 16.986 ( -3.939 14.406 0.000) 14.935 16.986 ( 3.939 14.406 0.000) 14.935 21.080 ( -7.203 -1.622 0.000) 7.383 21.080 ( -7.203 1.622 0.000) 7.383 21.080 ( 7.203 -1.622 0.000) 7.383 21.080 ( 7.203 1.622 0.000) 7.383 22.312 ( -3.616 -4.783 0.000) 5.996 22.312 ( 3.616 -4.783 0.000) 5.996 22.312 ( -3.616 4.783 0.000) 5.996 22.312 ( 3.616 4.783 0.000) 5.996 ======================= Grid point 121 (37/108) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 0.000 0.000 28.226) 28.226 0.748 ( 0.000 0.000 37.070) 37.070 1.223 ( 0.000 0.000 59.366) 59.366 2.171 ( 0.000 0.000 -19.268) 19.268 2.695 ( 0.000 0.000 -26.565) 26.565 3.342 ( 0.000 0.000 12.929) 12.929 3.407 ( 0.000 0.000 1.009) 1.009 3.547 ( 0.000 0.000 2.012) 2.012 3.592 ( 0.000 0.000 15.221) 15.221 3.723 ( 0.000 0.000 2.713) 2.713 3.816 ( 0.000 0.000 1.865) 1.865 4.051 ( 0.000 0.000 -4.088) 4.088 4.066 ( 0.000 0.000 -10.477) 10.477 4.126 ( 0.000 0.000 12.189) 12.189 4.318 ( 0.000 0.000 1.621) 1.621 4.502 ( 0.000 0.000 -3.211) 3.211 4.516 ( 0.000 0.000 -33.132) 33.132 5.442 ( 0.000 0.000 -25.257) 25.257 5.654 ( 0.000 0.000 2.431) 2.431 5.962 ( 0.000 0.000 -4.657) 4.657 6.514 ( 0.000 0.000 23.361) 23.361 6.665 ( 0.000 0.000 18.179) 18.179 7.067 ( 0.000 0.000 0.585) 0.585 7.149 ( 0.000 0.000 1.973) 1.973 7.256 ( 0.000 0.000 -1.785) 1.785 7.469 ( 0.000 0.000 6.722) 6.722 7.534 ( 0.000 0.000 1.090) 1.090 7.637 ( 0.000 0.000 -9.126) 9.126 7.810 ( 0.000 0.000 -3.370) 3.370 7.934 ( 0.000 0.000 -4.833) 4.833 8.624 ( 0.000 0.000 3.211) 3.211 9.051 ( 0.000 0.000 -8.027) 8.027 9.126 ( 0.000 0.000 5.977) 5.977 9.499 ( 0.000 0.000 -2.787) 2.787 9.761 ( 0.000 0.000 7.190) 7.190 9.912 ( 0.000 0.000 6.875) 6.875 10.181 ( 0.000 0.000 -4.000) 4.000 10.330 ( 0.000 0.000 -3.291) 3.291 11.141 ( 0.000 0.000 1.672) 1.672 11.263 ( 0.000 0.000 -1.148) 1.148 11.467 ( 0.000 0.000 3.245) 3.245 11.854 ( 0.000 0.000 -4.001) 4.001 11.877 ( 0.000 0.000 7.897) 7.897 12.089 ( 0.000 0.000 9.537) 9.537 12.695 ( 0.000 0.000 -12.148) 12.148 13.153 ( 0.000 0.000 -18.249) 18.249 13.987 ( 0.000 0.000 1.829) 1.829 14.157 ( 0.000 0.000 -3.093) 3.093 14.507 ( 0.000 0.000 14.902) 14.902 15.176 ( 0.000 0.000 -4.824) 4.824 15.248 ( 0.000 0.000 -4.594) 4.594 15.255 ( 0.000 0.000 -4.070) 4.070 15.980 ( 0.000 0.000 6.568) 6.568 15.988 ( 0.000 0.000 5.002) 5.002 16.244 ( 0.000 0.000 1.899) 1.899 16.246 ( 0.000 0.000 -1.860) 1.860 16.640 ( 0.000 0.000 1.157) 1.157 16.729 ( 0.000 0.000 -0.891) 0.891 17.366 ( 0.000 0.000 6.210) 6.210 17.800 ( 0.000 0.000 4.655) 4.655 17.893 ( 0.000 0.000 2.963) 2.963 18.192 ( 0.000 0.000 -4.009) 4.009 18.195 ( 0.000 0.000 -4.989) 4.989 18.343 ( 0.000 0.000 -15.792) 15.792 19.630 ( 0.000 0.000 2.643) 2.643 19.748 ( 0.000 0.000 4.741) 4.741 19.822 ( 0.000 0.000 -1.890) 1.890 19.852 ( 0.000 0.000 0.845) 0.845 23.039 ( 0.000 0.000 4.240) 4.240 23.342 ( 0.000 0.000 -2.854) 2.854 23.742 ( 0.000 0.000 0.771) 0.771 23.808 ( 0.000 0.000 -0.735) 0.735 ======================= Grid point 122 (38/108) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 23.597 0.000 19.090) 30.352 0.952 ( 22.325 0.000 23.155) 32.165 1.758 ( 43.782 0.000 40.720) 59.791 2.254 ( 8.234 0.000 -16.957) 18.850 2.686 ( -0.863 0.000 -25.700) 25.715 3.410 ( 6.714 0.000 11.814) 13.589 3.497 ( 4.601 0.000 1.579) 4.864 3.575 ( -2.251 0.000 14.626) 14.798 3.724 ( 15.966 0.000 0.910) 15.992 3.734 ( 5.229 0.000 2.103) 5.636 3.837 ( 3.277 0.000 -1.986) 3.832 4.014 ( -2.876 0.000 -3.454) 4.495 4.168 ( 10.011 0.000 -10.442) 14.466 4.250 ( 11.368 0.000 13.247) 17.456 4.307 ( -0.826 0.000 3.582) 3.676 4.360 ( -11.018 0.000 -3.911) 11.692 4.627 ( 9.714 0.000 -29.274) 30.844 5.461 ( -3.664 0.000 -10.346) 10.976 5.637 ( 2.930 0.000 -7.283) 7.850 5.888 ( -7.453 0.000 -3.659) 8.303 6.490 ( -2.154 0.000 21.792) 21.898 6.681 ( 1.738 0.000 14.424) 14.528 7.045 ( -3.759 0.000 1.797) 4.167 7.126 ( 1.050 0.000 2.899) 3.083 7.232 ( -3.256 0.000 -0.658) 3.322 7.546 ( 9.735 0.000 3.183) 10.242 7.572 ( -6.770 0.000 -8.342) 10.743 7.709 ( 13.297 0.000 1.786) 13.417 7.745 ( -5.193 0.000 1.026) 5.294 8.024 ( 7.905 0.000 -12.406) 14.711 8.888 ( 23.376 0.000 1.299) 23.412 9.156 ( 10.322 0.000 -3.363) 10.856 9.234 ( 10.678 0.000 2.793) 11.037 9.415 ( -4.071 0.000 12.529) 13.173 9.771 ( 1.187 0.000 5.982) 6.098 9.876 ( -3.353 0.000 8.034) 8.705 10.211 ( 2.851 0.000 -9.262) 9.690 10.391 ( 6.884 0.000 -3.884) 7.904 11.028 ( -14.380 0.000 15.049) 20.814 11.185 ( 4.863 0.000 0.936) 4.952 11.421 ( 0.721 0.000 12.299) 12.320 11.789 ( -5.666 0.000 5.815) 8.119 11.835 ( -1.902 0.000 -3.691) 4.152 12.084 ( -0.675 0.000 10.093) 10.115 12.622 ( -5.935 0.000 -10.489) 12.051 13.229 ( 6.438 0.000 -21.285) 22.237 14.062 ( 6.199 0.000 -3.842) 7.293 14.199 ( 4.287 0.000 -2.871) 5.160 14.472 ( -3.540 0.000 15.413) 15.815 15.135 ( -3.603 0.000 -3.340) 4.913 15.161 ( -9.163 0.000 -3.054) 9.658 15.230 ( -1.831 0.000 -0.729) 1.971 15.933 ( -1.806 0.000 4.012) 4.399 16.010 ( 2.047 0.000 5.080) 5.477 16.160 ( -7.639 0.000 1.921) 7.877 16.264 ( 2.138 0.000 -1.989) 2.920 16.541 ( -10.070 0.000 1.254) 10.148 16.690 ( -6.075 0.000 -4.595) 7.617 17.260 ( -17.555 0.000 1.368) 17.608 17.344 ( -14.199 0.000 5.614) 15.268 17.346 ( -6.192 0.000 6.008) 8.628 18.241 ( -9.407 0.000 -16.927) 19.365 18.611 ( 35.127 0.000 6.045) 35.644 19.005 ( -31.772 0.000 5.216) 32.198 19.350 ( -20.174 0.000 -1.111) 20.205 19.994 ( 67.170 0.000 -54.590) 86.556 20.316 ( 23.407 0.000 0.781) 23.420 20.332 ( 32.408 0.000 -4.926) 32.780 22.990 ( -6.154 0.000 4.754) 7.777 23.256 ( -8.812 0.000 -2.411) 9.136 23.341 ( -29.214 0.000 27.069) 39.827 23.644 ( -9.723 0.000 0.270) 9.726 ======================= Grid point 123 (39/108) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 28.571 0.000 11.645) 30.853 1.484 ( 29.418 0.000 7.081) 30.258 2.461 ( 13.902 0.000 -14.858) 20.348 2.669 ( -0.565 0.000 -22.027) 22.035 2.707 ( 49.516 0.000 26.950) 56.375 3.434 ( -8.822 0.000 4.565) 9.933 3.538 ( -1.325 0.000 12.038) 12.111 3.569 ( 7.374 0.000 5.706) 9.324 3.827 ( -1.597 0.000 -5.634) 5.856 3.932 ( 6.469 0.000 -1.617) 6.668 3.968 ( 2.531 0.000 -4.143) 4.855 4.109 ( -8.164 0.000 -1.501) 8.301 4.191 ( 17.585 0.000 0.173) 17.586 4.311 ( 9.350 0.000 3.167) 9.872 4.517 ( 23.522 0.000 -5.703) 24.203 4.552 ( 18.248 0.000 18.443) 25.945 4.879 ( 15.369 0.000 -24.390) 28.829 5.287 ( -10.202 0.000 3.715) 10.858 5.709 ( -9.865 0.000 -2.149) 10.096 5.775 ( 8.429 0.000 -12.494) 15.071 6.448 ( -1.916 0.000 17.342) 17.448 6.722 ( 2.021 0.000 5.151) 5.534 6.889 ( -10.907 0.000 -1.808) 11.055 7.130 ( -6.803 0.000 1.282) 6.923 7.161 ( -1.974 0.000 0.304) 1.997 7.378 ( -12.776 0.000 -7.501) 14.816 7.651 ( -3.174 0.000 5.755) 6.572 7.806 ( 15.246 0.000 1.446) 15.314 7.914 ( 5.651 0.000 -0.091) 5.652 8.223 ( 12.106 0.000 -11.785) 16.895 9.295 ( 1.787 0.000 4.139) 4.508 9.400 ( 6.558 0.000 9.573) 11.604 9.409 ( 22.383 0.000 4.939) 22.921 9.617 ( 26.582 0.000 -3.144) 26.768 9.795 ( -4.213 0.000 10.480) 11.296 9.822 ( 4.656 0.000 3.578) 5.872 10.284 ( 4.323 0.000 -8.557) 9.587 10.632 ( 18.666 0.000 -5.006) 19.326 10.851 ( -5.100 0.000 15.612) 16.424 11.348 ( 12.040 0.000 -2.371) 12.271 11.451 ( 0.765 0.000 13.115) 13.137 11.658 ( -7.747 0.000 3.711) 8.590 11.788 ( -2.697 0.000 -2.924) 3.978 12.129 ( 8.356 0.000 9.180) 12.413 12.521 ( -3.173 0.000 -8.529) 9.100 13.357 ( 5.941 0.000 -25.562) 26.243 14.216 ( 9.543 0.000 -5.623) 11.076 14.300 ( 1.128 0.000 -4.582) 4.719 14.399 ( 1.232 0.000 17.436) 17.479 14.908 ( -15.367 0.000 2.544) 15.576 15.036 ( -5.796 0.000 0.139) 5.797 15.222 ( 0.665 0.000 -5.082) 5.126 15.877 ( -5.315 0.000 2.990) 6.098 15.986 ( -7.968 0.000 1.224) 8.061 16.080 ( 3.016 0.000 5.685) 6.436 16.262 ( -17.438 0.000 1.927) 17.544 16.289 ( -4.620 0.000 -0.804) 4.689 16.512 ( -6.974 0.000 -5.549) 8.913 17.018 ( -7.791 0.000 0.383) 7.800 17.245 ( 0.100 0.000 -4.104) 4.105 17.245 ( -5.291 0.000 4.065) 6.672 17.975 ( -17.902 0.000 -15.490) 23.673 18.416 ( -26.674 0.000 6.867) 27.544 18.583 ( -27.905 0.000 0.211) 27.906 19.634 ( 38.638 0.000 6.390) 39.163 20.752 ( 21.613 0.000 1.909) 21.698 20.827 ( 27.503 0.000 -2.405) 27.608 20.979 ( 30.516 0.000 -43.387) 53.044 22.730 ( -16.935 0.000 18.746) 25.263 23.004 ( -16.798 0.000 -1.391) 16.855 23.016 ( -8.144 0.000 11.592) 14.167 23.385 ( -16.377 0.000 -0.289) 16.379 ======================= Grid point 124 (40/108) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 28.231 0.000 6.720) 29.020 2.044 ( 27.475 0.000 -1.111) 27.497 2.683 ( 2.623 0.000 -14.242) 14.482 2.750 ( 15.767 0.000 -7.784) 17.584 3.228 ( -11.713 0.000 4.246) 12.459 3.501 ( -2.734 0.000 11.960) 12.269 3.551 ( -9.081 0.000 -8.851) 12.681 3.622 ( 39.994 0.000 13.232) 42.126 3.795 ( -2.471 0.000 3.859) 4.582 3.799 ( -10.602 0.000 -2.670) 10.933 4.097 ( -3.321 0.000 5.095) 6.081 4.136 ( 16.265 0.000 -0.521) 16.273 4.305 ( 6.740 0.000 -3.042) 7.395 4.797 ( 26.738 0.000 2.968) 26.902 4.931 ( 19.345 0.000 17.151) 25.853 5.034 ( 22.396 0.000 -3.266) 22.633 5.149 ( 11.110 0.000 -6.780) 13.016 5.243 ( 12.956 0.000 -7.547) 14.994 5.543 ( -5.762 0.000 -1.571) 5.973 5.913 ( 5.088 0.000 -7.352) 8.941 6.416 ( -1.691 0.000 9.768) 9.913 6.631 ( -15.956 0.000 -4.822) 16.669 6.737 ( -1.785 0.000 -5.320) 5.611 6.968 ( -17.487 0.000 3.882) 17.913 7.001 ( -4.336 0.000 4.247) 6.069 7.130 ( -10.240 0.000 -7.245) 12.544 7.610 ( -3.187 0.000 5.360) 6.236 7.878 ( -6.935 0.000 -1.374) 7.070 8.138 ( 16.700 0.000 1.822) 16.799 8.481 ( 14.081 0.000 -9.599) 17.042 9.234 ( -7.353 0.000 3.061) 7.965 9.414 ( -3.141 0.000 0.486) 3.178 9.781 ( 5.328 0.000 15.754) 16.631 9.853 ( 17.550 0.000 5.589) 18.418 9.914 ( 7.265 0.000 0.891) 7.320 10.097 ( 15.637 0.000 -1.134) 15.678 10.357 ( 2.621 0.000 1.825) 3.194 10.778 ( -3.837 0.000 12.925) 13.482 11.162 ( 35.528 0.000 -8.092) 36.437 11.404 ( -5.232 0.000 13.700) 14.665 11.500 ( -8.123 0.000 3.130) 8.705 11.611 ( 12.446 0.000 -8.083) 14.841 11.743 ( -1.291 0.000 -2.383) 2.710 12.521 ( 32.332 0.000 5.321) 32.767 12.547 ( 6.737 0.000 -10.385) 12.379 13.445 ( 3.056 0.000 -23.082) 23.283 14.174 ( -8.279 0.000 5.195) 9.774 14.430 ( 12.168 0.000 -5.737) 13.453 14.535 ( -3.683 0.000 9.929) 10.590 14.709 ( 7.913 0.000 5.590) 9.689 14.932 ( -4.866 0.000 0.002) 4.866 15.238 ( 0.832 0.000 -7.235) 7.283 15.682 ( -16.751 0.000 2.163) 16.890 15.685 ( -25.242 0.000 0.699) 25.252 15.984 ( -19.763 0.000 1.850) 19.850 15.999 ( -6.835 0.000 1.938) 7.104 16.159 ( 4.289 0.000 6.806) 8.045 16.548 ( 5.935 0.000 -4.385) 7.379 16.885 ( -7.526 0.000 0.367) 7.535 17.153 ( -3.644 0.000 1.935) 4.126 17.266 ( -0.259 0.000 -7.449) 7.453 17.583 ( -18.766 0.000 -7.394) 20.170 17.989 ( -30.585 0.000 0.508) 30.589 18.002 ( -16.346 0.000 -0.600) 16.357 20.393 ( 37.542 0.000 6.866) 38.165 21.168 ( 21.494 0.000 2.632) 21.654 21.265 ( 18.247 0.000 -1.431) 18.303 21.466 ( 20.479 0.000 -25.702) 32.863 22.453 ( -11.125 0.000 12.738) 16.912 22.620 ( -22.065 0.000 -0.193) 22.065 22.862 ( -8.597 0.000 3.907) 9.443 23.020 ( -20.869 0.000 0.297) 20.871 ======================= Grid point 125 (41/108) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 22.036 0.000 -0.521) 22.042 2.541 ( 23.408 0.000 -6.309) 24.243 2.802 ( 10.785 0.000 -1.475) 10.886 2.992 ( -12.278 0.000 1.322) 12.349 3.060 ( 15.137 0.000 -1.796) 15.243 3.310 ( -14.012 0.000 -10.556) 17.543 3.391 ( -9.997 0.000 9.367) 13.700 3.645 ( -10.952 0.000 2.804) 11.305 3.660 ( -2.281 0.000 2.830) 3.635 3.916 ( -12.617 0.000 10.550) 16.447 4.151 ( 15.643 0.000 -3.195) 15.966 4.379 ( 4.484 0.000 1.913) 4.875 4.733 ( 32.986 0.000 0.683) 32.993 5.179 ( 8.332 0.000 7.740) 11.372 5.237 ( 13.309 0.000 6.490) 14.807 5.241 ( 10.121 0.000 -0.450) 10.131 5.442 ( 7.350 0.000 -8.724) 11.407 5.608 ( 15.465 0.000 1.849) 15.575 5.672 ( 25.793 0.000 -2.084) 25.877 5.984 ( 3.627 0.000 -5.796) 6.837 6.244 ( -23.942 0.000 -5.316) 24.525 6.358 ( -4.515 0.000 0.386) 4.531 6.553 ( -23.671 0.000 6.036) 24.429 6.588 ( -12.785 0.000 -4.073) 13.418 7.043 ( 2.627 0.000 -2.230) 3.446 7.064 ( 10.469 0.000 0.191) 10.471 7.473 ( -10.994 0.000 2.575) 11.291 7.658 ( -14.704 0.000 -1.235) 14.756 8.462 ( 16.292 0.000 1.693) 16.380 8.760 ( 14.328 0.000 -7.936) 16.379 9.036 ( -12.381 0.000 2.371) 12.606 9.268 ( -10.579 0.000 -4.222) 11.390 9.991 ( 14.122 0.000 10.176) 17.406 10.065 ( 7.897 0.000 0.117) 7.898 10.109 ( 9.248 0.000 6.492) 11.299 10.247 ( 1.380 0.000 -0.272) 1.406 10.382 ( 0.267 0.000 15.625) 15.627 10.651 ( -9.777 0.000 15.686) 18.484 11.304 ( -3.704 0.000 10.195) 10.847 11.358 ( -5.962 0.000 4.006) 7.183 11.689 ( 6.211 0.000 -9.574) 11.412 11.708 ( 0.536 0.000 -4.182) 4.216 12.004 ( 33.552 0.000 -15.215) 36.840 12.716 ( 5.102 0.000 -25.046) 25.561 13.310 ( 45.736 0.000 1.511) 45.761 13.514 ( 6.865 0.000 -1.270) 6.981 14.034 ( -7.855 0.000 6.371) 10.114 14.384 ( -2.608 0.000 13.290) 13.544 14.664 ( 9.216 0.000 -6.443) 11.245 14.809 ( -10.065 0.000 -0.892) 10.105 15.071 ( 0.822 0.000 -0.882) 1.206 15.139 ( -6.730 0.000 1.937) 7.003 15.202 ( -25.793 0.000 -0.894) 25.808 15.270 ( 2.234 0.000 -4.735) 5.235 15.660 ( -14.397 0.000 5.520) 15.419 15.877 ( -8.337 0.000 0.105) 8.337 16.249 ( 5.168 0.000 7.234) 8.890 16.671 ( -14.754 0.000 2.091) 14.901 16.674 ( 6.893 0.000 -3.506) 7.733 17.079 ( -15.184 0.000 -4.211) 15.757 17.125 ( 1.140 0.000 1.054) 1.553 17.461 ( 3.476 0.000 -7.394) 8.171 17.474 ( -20.345 0.000 1.916) 20.435 17.745 ( -10.660 0.000 -5.595) 12.039 21.074 ( 32.225 0.000 5.017) 32.614 21.558 ( 12.354 0.000 -2.227) 12.553 21.602 ( 23.170 0.000 2.674) 23.324 21.762 ( 8.045 0.000 -6.640) 10.431 22.164 ( -24.395 0.000 1.519) 24.442 22.323 ( -0.517 0.000 0.307) 0.601 22.579 ( -24.238 0.000 1.787) 24.304 22.671 ( -10.968 0.000 -0.954) 11.009 ======================= Grid point 126 (42/108) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( -13.005 0.000 -3.532) 13.476 2.749 ( 13.005 0.000 -3.532) 13.476 2.954 ( -18.885 0.000 -8.966) 20.905 2.954 ( 18.885 0.000 -8.966) 20.905 3.108 ( -17.778 0.000 6.926) 19.080 3.108 ( 17.778 0.000 6.926) 19.080 3.389 ( -14.612 0.000 1.157) 14.657 3.389 ( 14.612 0.000 1.157) 14.657 3.710 ( -7.033 0.000 9.727) 12.003 3.710 ( 7.033 0.000 9.727) 12.003 4.361 ( -6.261 0.000 -4.435) 7.673 4.361 ( 6.261 0.000 -4.435) 7.673 5.155 ( -9.075 0.000 7.152) 11.555 5.155 ( 9.075 0.000 7.152) 11.555 5.428 ( -7.243 0.000 -2.046) 7.527 5.428 ( 7.243 0.000 -2.046) 7.527 5.649 ( -27.028 0.000 -3.673) 27.276 5.649 ( 27.028 0.000 -3.673) 27.276 6.030 ( -5.674 0.000 -5.029) 7.582 6.030 ( 5.674 0.000 -5.029) 7.582 6.087 ( -22.149 0.000 6.879) 23.193 6.087 ( 22.149 0.000 6.879) 23.193 6.332 ( -8.129 0.000 -3.230) 8.747 6.332 ( 8.129 0.000 -3.230) 8.747 7.218 ( -13.296 0.000 0.523) 13.306 7.218 ( 13.296 0.000 0.523) 13.306 7.343 ( -16.596 0.000 -1.309) 16.648 7.343 ( 16.596 0.000 -1.309) 16.648 8.767 ( -14.935 0.000 1.949) 15.061 8.767 ( 14.935 0.000 1.949) 15.061 9.031 ( -13.335 0.000 -6.268) 14.735 9.031 ( 13.335 0.000 -6.268) 14.735 10.200 ( -2.371 0.000 0.113) 2.373 10.200 ( 2.371 0.000 0.113) 2.373 10.200 ( -5.338 0.000 -0.055) 5.338 10.200 ( 5.338 0.000 -0.055) 5.338 10.436 ( -8.864 0.000 26.150) 27.612 10.436 ( 8.864 0.000 26.150) 27.612 11.283 ( -1.544 0.000 6.057) 6.250 11.283 ( 1.544 0.000 6.057) 6.250 11.717 ( -0.726 0.000 -6.231) 6.273 11.717 ( 0.726 0.000 -6.231) 6.273 12.569 ( -20.184 0.000 -28.667) 35.059 12.569 ( 20.184 0.000 -28.667) 35.059 13.777 ( -17.114 0.000 14.867) 22.670 13.777 ( 17.114 0.000 14.867) 22.670 14.196 ( -42.607 0.000 -1.223) 42.625 14.196 ( 42.607 0.000 -1.223) 42.625 14.572 ( -20.993 0.000 2.443) 21.134 14.572 ( 20.993 0.000 2.443) 21.134 14.894 ( -9.336 0.000 -3.920) 10.126 14.894 ( 9.336 0.000 -3.920) 10.126 15.405 ( -10.966 0.000 2.014) 11.149 15.405 ( 10.966 0.000 2.014) 11.149 15.589 ( -21.856 0.000 -1.954) 21.943 15.589 ( 21.856 0.000 -1.954) 21.943 16.393 ( -10.966 0.000 6.223) 12.608 16.393 ( 10.966 0.000 6.223) 12.608 16.832 ( -9.924 0.000 -3.234) 10.437 16.832 ( 9.924 0.000 -3.234) 10.437 17.209 ( -7.997 0.000 1.656) 8.166 17.209 ( 7.997 0.000 1.656) 8.166 17.573 ( -7.318 0.000 -7.339) 10.365 17.573 ( 7.318 0.000 -7.339) 10.365 21.648 ( -26.751 0.000 2.176) 26.840 21.648 ( 26.751 0.000 2.176) 26.840 21.751 ( -6.984 0.000 0.149) 6.985 21.751 ( 6.984 0.000 0.149) 6.985 22.093 ( -24.805 0.000 3.543) 25.057 22.093 ( 24.805 0.000 3.543) 25.057 22.449 ( -10.990 0.000 -4.877) 12.024 22.449 ( 10.990 0.000 -4.877) 12.024 ======================= Grid point 132 (43/108) ======================= q-point: ( 0.00 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 0.000 20.433 28.731) 35.256 1.016 ( 0.000 26.605 23.294) 35.361 1.491 ( 0.000 31.848 40.918) 51.851 2.301 ( 0.000 13.113 -17.717) 22.042 2.773 ( 0.000 7.975 -25.826) 27.030 3.290 ( 0.000 0.983 14.017) 14.052 3.601 ( 0.000 0.049 11.646) 11.646 3.656 ( 0.000 18.543 -0.123) 18.544 3.689 ( 0.000 -3.803 2.459) 4.529 3.743 ( 0.000 18.524 1.505) 18.585 3.797 ( 0.000 -2.474 1.241) 2.768 3.968 ( 0.000 -4.993 3.136) 5.896 4.037 ( 0.000 -3.369 2.579) 4.243 4.111 ( 0.000 0.488 -3.670) 3.702 4.301 ( 0.000 1.204 -0.946) 1.531 4.591 ( 0.000 7.291 -29.146) 30.044 4.697 ( 0.000 15.412 -5.210) 16.269 5.425 ( 0.000 -1.675 -25.334) 25.390 5.666 ( 0.000 1.545 3.276) 3.622 5.979 ( 0.000 1.551 -4.215) 4.492 6.458 ( 0.000 -5.005 22.885) 23.426 6.619 ( 0.000 -4.006 19.631) 20.036 7.056 ( 0.000 -9.192 3.002) 9.670 7.225 ( 0.000 13.127 -1.053) 13.169 7.234 ( 0.000 -3.037 -2.187) 3.742 7.458 ( 0.000 -1.093 6.147) 6.243 7.501 ( 0.000 -3.955 -4.585) 6.055 7.816 ( 0.000 2.617 1.778) 3.164 7.878 ( 0.000 21.177 -7.027) 22.313 7.889 ( 0.000 -4.761 -4.276) 6.399 8.659 ( 0.000 3.818 3.024) 4.870 9.077 ( 0.000 2.815 -6.307) 6.907 9.120 ( 0.000 -0.690 5.955) 5.995 9.508 ( 0.000 0.699 -3.766) 3.830 9.857 ( 0.000 -5.360 7.769) 9.438 10.009 ( 0.000 10.280 15.375) 18.495 10.017 ( 0.000 7.849 18.078) 19.709 10.297 ( 0.000 -3.297 -3.351) 4.701 10.912 ( 0.000 0.833 14.639) 14.662 11.436 ( 0.000 16.019 -1.060) 16.054 11.480 ( 0.000 1.321 3.427) 3.673 11.810 ( 0.000 -1.905 3.408) 3.904 11.998 ( 0.000 9.567 -0.286) 9.571 12.106 ( 0.000 0.861 10.104) 10.141 12.689 ( 0.000 -0.555 -11.583) 11.597 13.096 ( 0.000 -2.045 -14.197) 14.344 13.888 ( 0.000 -0.768 -1.726) 1.889 14.534 ( 0.000 2.910 11.503) 11.865 14.586 ( 0.000 10.672 -24.101) 26.359 15.212 ( 0.000 -3.975 -4.474) 5.985 15.227 ( 0.000 5.135 -4.751) 6.996 15.235 ( 0.000 -1.911 -4.933) 5.290 15.898 ( 0.000 -7.181 4.382) 8.413 15.964 ( 0.000 -3.958 6.826) 7.890 16.165 ( 0.000 -8.334 -1.995) 8.569 16.193 ( 0.000 -5.511 3.039) 6.294 16.648 ( 0.000 0.909 1.309) 1.593 16.790 ( 0.000 3.360 -3.692) 4.992 17.280 ( 0.000 -8.679 5.913) 10.502 17.728 ( 0.000 -6.791 2.626) 7.281 17.952 ( 0.000 6.863 1.734) 7.078 18.238 ( 0.000 4.284 -4.525) 6.231 18.401 ( 0.000 5.396 -13.974) 14.980 18.518 ( 0.000 22.285 -27.967) 35.760 19.596 ( 0.000 -3.321 2.458) 4.132 19.728 ( 0.000 -1.962 4.523) 4.930 19.785 ( 0.000 -3.766 -1.860) 4.200 19.844 ( 0.000 -0.929 0.880) 1.280 23.012 ( 0.000 -2.790 4.650) 5.423 23.023 ( 0.000 -40.379 42.951) 58.951 23.342 ( 0.000 -0.069 -3.072) 3.073 23.796 ( 0.000 -6.611 -3.619) 7.537 ======================= Grid point 133 (44/108) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 12.669 18.666 20.582) 30.537 1.211 ( 18.092 19.871 20.125) 33.573 1.983 ( 39.084 22.973 28.772) 53.695 2.379 ( 8.286 12.986 -14.364) 21.062 2.747 ( -2.167 6.332 -24.729) 25.619 3.370 ( 7.107 0.370 13.626) 15.372 3.577 ( -1.664 1.797 8.219) 8.576 3.616 ( -4.300 1.099 5.655) 7.188 3.769 ( 0.454 -1.075 -3.468) 3.659 3.809 ( 9.409 8.137 -1.036) 12.482 3.919 ( 14.152 12.239 2.799) 18.919 3.934 ( -1.150 -2.028 1.491) 2.767 4.109 ( 5.278 -3.307 -4.121) 7.468 4.211 ( 8.152 -2.098 9.814) 12.930 4.340 ( 6.979 5.254 -4.771) 9.953 4.567 ( -8.054 14.204 -6.724) 17.659 4.707 ( 8.673 8.302 -23.844) 26.696 5.458 ( -1.932 -0.488 -12.263) 12.424 5.635 ( 0.796 0.202 -4.608) 4.681 5.904 ( -6.963 1.425 -2.483) 7.529 6.450 ( -0.783 -3.837 20.741) 21.108 6.650 ( 2.651 -2.440 14.892) 15.321 7.003 ( -5.115 -7.360 2.876) 9.413 7.199 ( -4.511 -3.989 -1.684) 6.253 7.209 ( -0.753 8.008 0.367) 8.052 7.456 ( -1.827 -6.694 -4.506) 8.274 7.560 ( 4.697 -1.085 0.763) 4.881 7.784 ( 1.123 6.455 5.383) 8.480 7.848 ( 3.138 4.831 -2.333) 6.215 8.081 ( 10.851 10.316 -9.430) 17.695 8.910 ( 21.938 2.304 1.876) 22.139 9.176 ( 10.674 1.863 -1.683) 10.965 9.244 ( 11.658 1.867 2.786) 12.131 9.484 ( 0.191 6.412 7.458) 9.838 9.828 ( -2.208 -3.872 10.716) 11.606 10.027 ( 1.611 26.166 3.934) 26.509 10.156 ( 10.327 -3.681 4.601) 11.889 10.390 ( 9.023 -0.532 -4.588) 10.136 10.922 ( 1.230 0.917 16.349) 16.420 11.297 ( -6.142 11.777 1.374) 13.353 11.580 ( 3.614 9.236 2.255) 10.171 11.765 ( -4.108 -0.190 4.858) 6.365 11.970 ( -2.660 10.287 -1.265) 10.700 12.105 ( 0.670 2.226 9.989) 10.256 12.622 ( -5.155 0.278 -9.866) 11.135 13.209 ( 8.742 -1.534 -19.895) 21.785 13.895 ( 1.721 -5.080 -0.312) 5.373 14.471 ( -6.733 8.698 -16.167) 19.554 14.501 ( -3.412 2.887 13.191) 13.927 15.077 ( -10.202 -4.262 2.483) 11.332 15.177 ( -4.143 0.862 -5.432) 6.886 15.271 ( 0.648 4.144 -3.513) 5.471 15.871 ( -1.935 -6.222 3.806) 7.546 15.976 ( 1.580 -3.916 5.890) 7.247 16.121 ( -5.566 -4.754 0.861) 7.370 16.193 ( 2.298 -7.204 -0.805) 7.604 16.553 ( -9.658 1.188 1.421) 9.834 16.710 ( -8.339 1.240 -3.725) 9.217 17.222 ( -6.785 -6.451 2.827) 9.780 17.294 ( -18.384 -0.798 2.509) 18.571 17.489 ( -19.153 11.503 2.230) 22.453 18.195 ( -5.668 -3.822 -14.037) 15.614 18.656 ( 23.884 3.527 1.939) 24.221 18.988 ( -27.811 -1.532 5.294) 28.352 19.334 ( -18.061 -1.611 -1.161) 18.169 19.928 ( 62.751 -6.042 -46.140) 78.122 20.277 ( 26.956 -3.698 0.137) 27.209 20.305 ( 26.929 -2.582 -0.061) 27.052 22.833 ( -13.481 -23.039 32.214) 41.836 23.020 ( -2.300 -7.808 10.911) 13.613 23.268 ( -7.954 -0.388 -2.097) 8.234 23.664 ( -11.916 -3.449 -2.516) 12.657 ======================= Grid point 134 (45/108) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 25.683 9.521 9.481) 28.985 1.650 ( 25.392 13.230 11.066) 30.696 2.541 ( 13.748 7.650 -15.334) 21.970 2.704 ( -0.891 3.959 -19.564) 19.980 2.873 ( 42.547 16.318 20.167) 49.832 3.449 ( -6.569 2.016 5.846) 9.022 3.526 ( 2.419 -1.391 10.804) 11.159 3.595 ( 2.933 2.351 8.471) 9.268 3.706 ( -5.867 -8.937 -3.286) 11.185 3.938 ( 3.469 -1.669 -3.276) 5.055 3.988 ( 3.009 4.632 -5.041) 7.478 4.152 ( 2.625 -1.471 -3.163) 4.366 4.238 ( 6.609 7.252 -0.165) 9.813 4.404 ( 13.167 -0.143 9.887) 16.466 4.516 ( 12.746 12.505 6.494) 19.000 4.655 ( 23.101 8.064 -5.689) 25.121 4.960 ( 15.896 7.539 -19.045) 25.928 5.295 ( -10.510 0.482 3.969) 11.245 5.679 ( -3.663 -2.721 -7.401) 8.695 5.805 ( 1.868 2.441 -6.214) 6.932 6.435 ( -0.446 -1.854 15.137) 15.256 6.685 ( -0.388 -2.065 4.156) 4.657 6.886 ( -5.909 -1.614 2.954) 6.800 7.049 ( -9.760 -6.551 -1.107) 11.807 7.191 ( -3.985 1.262 0.150) 4.183 7.341 ( -8.882 -3.253 -6.830) 11.667 7.596 ( 0.225 -3.540 4.735) 5.916 7.928 ( 10.226 4.934 1.709) 11.482 7.949 ( 5.730 6.463 -1.169) 8.716 8.281 ( 9.805 7.365 -7.725) 14.493 9.250 ( 5.670 -2.919 4.817) 7.992 9.445 ( 7.670 4.243 4.455) 9.832 9.515 ( 18.497 8.728 3.718) 20.788 9.667 ( 20.670 2.944 -1.315) 20.920 9.824 ( 7.405 5.077 14.416) 16.983 10.081 ( 4.001 26.612 2.261) 27.006 10.365 ( 9.984 6.865 -6.152) 13.589 10.622 ( 14.764 2.543 -4.357) 15.602 10.975 ( 4.960 7.417 14.314) 16.867 11.260 ( 2.834 2.517 2.097) 4.332 11.578 ( -4.487 2.378 2.515) 5.667 11.683 ( -3.344 6.745 8.244) 11.164 11.908 ( -3.335 10.408 -3.086) 11.357 12.204 ( 11.902 7.712 7.648) 16.112 12.537 ( -2.578 1.957 -8.526) 9.120 13.364 ( 6.678 0.632 -24.863) 25.752 13.988 ( 7.408 -12.688 -1.175) 14.739 14.385 ( -6.305 -1.800 -9.958) 11.923 14.428 ( -0.237 1.829 14.012) 14.133 14.862 ( -9.961 -0.990 7.267) 12.370 15.080 ( -5.400 2.284 -2.866) 6.526 15.275 ( 0.033 5.163 -5.208) 7.334 15.808 ( -5.502 -6.403 3.678) 9.208 15.972 ( -5.131 -2.444 0.816) 5.742 16.051 ( 1.782 -3.374 5.272) 6.508 16.222 ( -5.888 -5.563 0.545) 8.118 16.297 ( -13.208 2.068 0.976) 13.405 16.496 ( -9.860 -1.649 -4.278) 10.874 17.006 ( -8.899 -0.947 0.466) 8.961 17.148 ( -3.966 -7.598 1.269) 8.665 17.309 ( -3.637 3.992 -1.858) 5.711 17.949 ( -17.962 -2.634 -15.095) 23.610 18.365 ( -26.460 -5.037 6.554) 27.721 18.576 ( -28.275 -1.082 -0.442) 28.299 19.654 ( 37.358 2.110 6.031) 37.901 20.721 ( 21.344 -3.236 1.705) 21.655 20.803 ( 28.024 -2.532 -3.987) 28.419 20.884 ( 31.374 -9.401 -36.529) 49.062 22.568 ( -12.845 -13.122 25.714) 31.597 22.939 ( -6.763 -3.851 4.114) 8.803 23.036 ( -14.709 0.098 0.559) 14.720 23.380 ( -16.759 -1.934 -1.653) 16.951 ======================= Grid point 135 (46/108) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 26.941 4.683 4.450) 27.705 2.155 ( 25.707 8.946 3.864) 27.492 2.697 ( 1.893 2.013 -15.444) 15.689 2.822 ( 14.549 6.477 -8.817) 18.203 3.247 ( -10.752 1.617 4.704) 11.847 3.459 ( 2.493 -2.409 8.316) 9.009 3.516 ( -9.023 -4.547 -3.830) 10.805 3.687 ( 1.349 -1.839 5.160) 5.641 3.766 ( 26.631 9.541 10.291) 30.103 3.874 ( -8.999 2.909 -3.839) 10.207 4.086 ( 7.673 1.138 -1.542) 7.909 4.219 ( 2.618 1.670 4.713) 5.644 4.251 ( 5.827 -0.791 -1.929) 6.189 4.739 ( 16.801 -11.467 11.038) 23.143 4.909 ( 20.788 9.846 4.045) 23.355 5.132 ( 19.972 1.084 -1.644) 20.069 5.203 ( 6.980 4.035 0.774) 8.100 5.275 ( 13.927 6.382 -10.490) 18.567 5.596 ( 1.134 4.872 -3.730) 6.240 5.870 ( 1.801 -4.482 -6.158) 7.827 6.441 ( 0.667 2.026 7.281) 7.587 6.597 ( -8.813 -0.988 -3.872) 9.677 6.750 ( -10.258 -0.413 -2.519) 10.571 6.886 ( -6.847 -6.003 6.029) 10.921 7.005 ( -10.081 1.200 0.427) 10.161 7.184 ( -6.868 3.344 -5.703) 9.532 7.592 ( -1.958 -1.555 5.435) 5.982 7.916 ( -7.167 3.072 -2.533) 8.199 8.190 ( 14.113 4.972 1.815) 15.073 8.493 ( 12.224 1.528 -6.977) 14.157 9.219 ( -6.548 -1.447 3.039) 7.363 9.418 ( -6.000 -0.698 -1.488) 6.221 9.881 ( 11.490 9.746 17.354) 22.982 9.920 ( 16.787 7.069 6.799) 19.442 10.178 ( 6.369 26.306 1.214) 27.093 10.251 ( 19.672 14.500 0.054) 24.439 10.492 ( 3.043 15.051 -2.119) 15.501 10.859 ( 4.403 7.082 9.565) 12.690 11.228 ( 20.248 7.688 -4.851) 22.195 11.352 ( 7.107 -4.442 7.202) 11.050 11.452 ( -6.870 -2.139 3.711) 8.096 11.692 ( 6.780 7.048 -0.105) 9.780 11.847 ( -2.771 10.076 -3.870) 11.144 12.553 ( 7.036 2.831 -8.208) 11.176 12.630 ( 29.850 8.887 1.668) 31.190 13.471 ( 4.381 2.469 -22.117) 22.681 14.070 ( -3.498 -9.448 1.708) 10.218 14.262 ( -3.002 -14.140 -4.340) 15.093 14.497 ( 7.154 -2.774 13.892) 15.871 14.789 ( 4.693 5.044 2.556) 7.349 14.988 ( -3.702 4.001 -0.639) 5.488 15.272 ( -0.392 3.371 -7.449) 8.185 15.600 ( -18.520 -4.975 3.759) 19.541 15.758 ( -19.325 3.594 -0.725) 19.669 15.941 ( -15.070 -3.449 2.916) 15.733 16.003 ( -13.427 -0.609 1.095) 13.485 16.132 ( 4.353 -2.829 6.950) 8.675 16.498 ( 5.572 -5.157 -3.821) 8.500 16.865 ( -7.211 -2.004 0.671) 7.514 17.079 ( -2.816 -7.299 1.320) 7.934 17.275 ( -2.499 0.405 -6.767) 7.225 17.551 ( -18.924 -3.293 -7.645) 20.674 17.902 ( -24.567 -6.280 1.906) 25.429 18.033 ( -22.331 0.381 -2.100) 22.433 20.388 ( 36.353 -0.484 6.521) 36.936 21.127 ( 20.650 -4.210 2.556) 21.229 21.233 ( 17.837 -3.394 -2.104) 18.279 21.405 ( 22.051 -6.496 -23.754) 33.056 22.341 ( -10.589 -8.298 15.794) 20.747 22.647 ( -20.066 1.314 -1.231) 20.147 22.830 ( -8.738 -2.937 2.967) 9.684 23.020 ( -19.930 -0.801 -0.532) 19.953 ======================= Grid point 136 (47/108) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 22.331 2.558 -0.972) 22.498 2.629 ( 22.298 6.969 -1.480) 23.409 2.789 ( 8.558 -0.665 -3.458) 9.254 3.018 ( -11.274 2.381 2.261) 11.742 3.111 ( 13.323 4.663 -4.104) 14.700 3.286 ( -12.217 -1.399 -3.880) 12.894 3.438 ( -6.710 1.432 6.289) 9.307 3.579 ( -8.217 -0.367 -1.861) 8.433 3.706 ( -6.065 -0.221 3.607) 7.060 3.952 ( -12.745 3.855 8.527) 15.812 4.134 ( 11.031 -2.072 -2.806) 11.569 4.305 ( 3.450 -7.141 1.856) 8.145 4.723 ( 28.195 -1.552 0.701) 28.247 5.051 ( 15.923 -7.371 10.396) 20.395 5.177 ( 8.241 -2.296 -0.129) 8.556 5.365 ( 5.024 -8.408 -4.331) 10.710 5.416 ( 10.810 5.457 2.626) 12.391 5.518 ( 13.476 3.813 -1.034) 14.043 5.825 ( 8.376 -0.840 -5.413) 10.008 5.896 ( 7.134 -0.509 -5.285) 8.893 6.329 ( -15.542 8.023 -1.985) 17.603 6.415 ( -4.384 5.364 -0.158) 6.930 6.532 ( -12.785 1.011 3.399) 13.267 6.650 ( -11.247 3.711 1.679) 11.962 7.038 ( 8.033 1.352 -2.344) 8.477 7.118 ( 3.407 3.968 -1.369) 5.406 7.478 ( -9.717 0.587 2.661) 10.092 7.689 ( -15.141 3.108 -1.771) 15.558 8.476 ( 14.893 1.237 1.687) 15.040 8.740 ( 12.120 -1.975 -5.362) 13.400 9.044 ( -10.237 0.441 0.724) 10.272 9.255 ( -10.263 -1.506 -4.199) 11.190 10.139 ( 12.545 7.491 13.311) 19.766 10.179 ( 11.582 9.869 11.618) 19.145 10.300 ( 6.065 23.611 1.448) 24.420 10.456 ( 2.640 21.417 -0.444) 21.584 10.517 ( 0.681 16.850 7.793) 18.577 10.804 ( -9.074 16.408 11.581) 22.038 11.270 ( -1.625 -3.685 9.697) 10.500 11.332 ( -4.581 -1.508 5.093) 7.014 11.720 ( 7.905 3.381 -9.545) 12.846 11.804 ( -1.617 8.977 -4.977) 10.391 12.047 ( 31.878 4.610 -14.263) 35.227 12.707 ( 5.393 -0.249 -23.023) 23.647 13.367 ( 41.212 5.648 0.542) 41.601 13.546 ( 5.972 3.379 -1.550) 7.035 13.926 ( -9.086 -10.405 6.546) 15.286 14.267 ( 5.594 -9.413 8.399) 13.800 14.659 ( 5.368 -1.529 -3.999) 6.866 14.872 ( -6.406 4.168 -1.094) 7.721 15.070 ( -7.103 -0.423 0.619) 7.143 15.096 ( -5.249 -1.856 3.065) 6.355 15.265 ( -9.396 2.687 -4.419) 10.726 15.305 ( -11.475 5.145 -2.797) 12.883 15.630 ( -13.860 -3.021 5.911) 15.367 15.848 ( -8.731 -3.106 0.165) 9.268 16.229 ( 5.723 -2.080 7.044) 9.311 16.612 ( 2.856 -4.955 -1.722) 5.973 16.674 ( -9.947 -1.215 0.781) 10.051 17.042 ( -12.126 -4.349 -3.043) 13.237 17.069 ( -2.486 -5.376 0.362) 5.934 17.388 ( -11.350 -6.396 -2.395) 13.247 17.473 ( -5.425 -1.295 -2.962) 6.316 17.732 ( -11.307 -1.498 -6.030) 12.901 21.046 ( 30.935 -2.816 4.864) 31.442 21.510 ( 13.665 -5.149 -1.643) 14.695 21.538 ( 17.974 -5.934 2.330) 19.071 21.732 ( 10.235 -4.366 -8.795) 14.184 22.115 ( -15.405 -4.020 5.909) 16.982 22.305 ( -10.578 -0.337 1.249) 10.657 22.591 ( -17.980 0.139 -1.622) 18.054 22.667 ( -12.460 -0.477 -0.378) 12.475 ======================= Grid point 137 (48/108) ======================= q-point: (-0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( -12.989 2.381 -3.129) 13.571 2.775 ( 12.989 2.381 -3.129) 13.571 2.967 ( -10.126 0.564 -2.645) 10.480 2.967 ( 10.126 0.564 -2.645) 10.480 3.135 ( -12.669 3.454 2.612) 13.389 3.135 ( 12.669 3.454 2.612) 13.389 3.407 ( -10.100 0.945 -1.102) 10.204 3.407 ( 10.100 0.945 -1.102) 10.204 3.726 ( -7.956 1.951 9.210) 12.326 3.726 ( 7.956 1.951 9.210) 12.326 4.294 ( -4.859 -6.709 -3.125) 8.854 4.294 ( 4.859 -6.709 -3.125) 8.854 5.067 ( -9.736 -7.874 3.408) 12.977 5.067 ( 9.736 -7.874 3.408) 12.977 5.461 ( -5.193 -0.064 -3.646) 6.346 5.461 ( 5.193 -0.064 -3.646) 6.346 5.590 ( -22.659 -4.595 -0.542) 23.127 5.590 ( 22.659 -4.595 -0.542) 23.127 5.848 ( -13.341 -6.187 2.043) 14.847 5.848 ( 13.341 -6.187 2.043) 14.847 6.322 ( -5.180 12.630 0.690) 13.669 6.322 ( 5.180 12.630 0.690) 13.669 6.426 ( -8.192 9.549 -2.174) 12.767 6.426 ( 8.192 9.549 -2.174) 12.767 7.222 ( -9.960 0.937 0.839) 10.039 7.222 ( 9.960 0.937 0.839) 10.039 7.376 ( -14.051 3.149 -1.833) 14.516 7.376 ( 14.051 3.149 -1.833) 14.516 8.752 ( -12.397 -1.684 2.234) 12.709 8.752 ( 12.397 -1.684 2.234) 12.709 9.037 ( -11.061 0.310 -6.363) 12.764 9.037 ( 11.061 0.310 -6.363) 12.764 10.286 ( -3.097 5.804 9.724) 11.740 10.286 ( 3.097 5.804 9.724) 11.740 10.450 ( -4.605 23.602 -0.633) 24.055 10.450 ( 4.605 23.602 -0.633) 24.055 10.574 ( -10.287 18.382 16.253) 26.606 10.574 ( 10.287 18.382 16.253) 26.606 11.272 ( -1.683 -0.633 6.654) 6.893 11.272 ( 1.683 -0.633 6.654) 6.893 11.780 ( -1.137 6.359 -7.016) 9.537 11.780 ( 1.137 6.359 -7.016) 9.537 12.585 ( -18.910 1.600 -28.261) 34.042 12.585 ( 18.910 1.600 -28.261) 34.042 13.700 ( -12.287 -6.317 15.577) 20.821 13.700 ( 12.287 -6.317 15.577) 20.821 14.225 ( -39.582 1.681 -2.738) 39.712 14.225 ( 39.582 1.681 -2.738) 39.712 14.563 ( -21.208 -0.271 3.410) 21.482 14.563 ( 21.208 -0.271 3.410) 21.482 14.932 ( -8.937 3.204 -4.999) 10.730 14.932 ( 8.937 3.204 -4.999) 10.730 15.388 ( -10.208 -1.496 2.458) 10.606 15.388 ( 10.208 -1.496 2.458) 10.606 15.566 ( -20.407 -2.534 -1.453) 20.615 15.566 ( 20.407 -2.534 -1.453) 20.615 16.384 ( -11.349 -0.952 5.885) 12.820 16.384 ( 11.349 -0.952 5.885) 12.820 16.788 ( -10.254 -4.463 -2.918) 11.558 16.788 ( 10.254 -4.463 -2.918) 11.558 17.151 ( -7.943 -6.038 1.984) 10.172 17.151 ( 7.943 -6.038 1.984) 10.172 17.555 ( -7.209 -1.947 -7.584) 10.643 17.555 ( 7.209 -1.947 -7.584) 10.643 21.563 ( -18.273 -7.091 2.598) 19.772 21.563 ( 18.273 -7.091 2.598) 19.772 21.739 ( -4.282 -3.929 -1.326) 5.961 21.739 ( 4.282 -3.929 -1.326) 5.961 22.064 ( -17.317 -1.171 4.745) 17.994 22.064 ( 17.317 -1.171 4.745) 17.994 22.464 ( -7.313 0.968 -4.859) 8.833 22.464 ( 7.313 0.968 -4.859) 8.833 ======================= Grid point 143 (49/108) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 0.000 19.897 27.787) 34.176 1.429 ( 0.000 26.197 19.783) 32.828 2.270 ( 0.000 40.320 10.408) 41.642 2.646 ( 0.000 24.137 -10.664) 26.387 2.988 ( 0.000 14.207 -24.058) 27.939 3.377 ( 0.000 7.521 15.357) 17.099 3.552 ( 0.000 -6.064 3.270) 6.889 3.563 ( 0.000 -9.144 1.509) 9.268 3.703 ( 0.000 -5.290 2.277) 5.759 3.823 ( 0.000 -7.967 4.357) 9.080 3.995 ( 0.000 6.831 10.085) 12.181 4.050 ( 0.000 12.022 0.369) 12.028 4.202 ( 0.000 14.770 -10.650) 18.209 4.253 ( 0.000 24.940 -0.205) 24.941 4.369 ( 0.000 5.812 0.259) 5.817 4.778 ( 0.000 12.318 -21.267) 24.577 5.017 ( 0.000 17.484 -9.428) 19.864 5.398 ( 0.000 -0.036 -25.522) 25.522 5.722 ( 0.000 4.505 5.025) 6.748 6.009 ( 0.000 1.223 -3.134) 3.364 6.355 ( 0.000 -5.827 21.561) 22.334 6.531 ( 0.000 -4.653 21.358) 21.859 6.812 ( 0.000 -16.293 5.385) 17.160 7.127 ( 0.000 -8.246 -3.005) 8.776 7.270 ( 0.000 -8.025 -7.621) 11.067 7.428 ( 0.000 -2.233 4.666) 5.173 7.453 ( 0.000 -3.300 -6.255) 7.072 7.753 ( 0.000 -9.466 -2.875) 9.892 8.025 ( 0.000 18.274 10.946) 21.301 8.293 ( 0.000 19.622 0.240) 19.624 8.796 ( 0.000 11.623 -2.084) 11.808 9.098 ( 0.000 -1.613 5.925) 6.140 9.165 ( 0.000 6.398 -7.256) 9.674 9.500 ( 0.000 -2.702 -4.556) 5.297 9.732 ( 0.000 -6.831 8.753) 11.103 10.106 ( 0.000 16.375 38.036) 41.411 10.216 ( 0.000 -4.859 -3.773) 6.151 10.723 ( 0.000 46.476 1.844) 46.512 11.197 ( 0.000 26.802 2.227) 26.894 11.517 ( 0.000 2.459 3.690) 4.434 11.772 ( 0.000 -2.500 5.569) 6.105 11.778 ( 0.000 14.840 -0.162) 14.841 12.168 ( 0.000 8.508 6.924) 10.969 12.228 ( 0.000 14.170 -4.245) 14.792 12.673 ( 0.000 -1.176 -10.042) 10.110 13.091 ( 0.000 1.991 -17.420) 17.534 13.904 ( 0.000 2.093 -2.766) 3.468 14.524 ( 0.000 -9.125 -18.017) 20.196 14.646 ( 0.000 5.962 16.845) 17.869 15.099 ( 0.000 -7.932 -4.483) 9.111 15.177 ( 0.000 -4.441 -6.586) 7.944 15.355 ( 0.000 7.968 -3.605) 8.745 15.702 ( 0.000 -14.154 2.085) 14.307 15.834 ( 0.000 -10.152 5.810) 11.697 15.930 ( 0.000 -15.478 0.242) 15.480 16.054 ( 0.000 -8.111 5.521) 9.812 16.666 ( 0.000 0.382 2.107) 2.141 16.819 ( 0.000 0.118 -1.084) 1.090 17.053 ( 0.000 -14.736 5.946) 15.891 17.572 ( 0.000 -9.026 0.054) 9.026 18.143 ( 0.000 12.689 -0.960) 12.725 18.344 ( 0.000 6.530 -3.997) 7.656 18.524 ( 0.000 7.098 -11.990) 13.933 18.826 ( 0.000 10.153 -30.071) 31.738 19.513 ( 0.000 -5.190 1.224) 5.332 19.675 ( 0.000 -3.585 3.963) 5.344 19.685 ( 0.000 -6.501 -1.670) 6.712 19.807 ( 0.000 -3.190 0.906) 3.316 22.530 ( 0.000 -13.707 37.443) 39.873 22.935 ( 0.000 -5.281 5.852) 7.882 23.339 ( 0.000 -0.320 -3.670) 3.684 23.631 ( 0.000 -9.591 -5.331) 10.973 ======================= Grid point 144 (50/108) ======================= q-point: ( 0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 7.741 23.721 17.020) 30.205 1.602 ( 13.180 21.436 19.349) 31.743 2.485 ( 15.620 23.260 -0.400) 28.021 2.766 ( 14.562 28.430 1.438) 31.975 2.924 ( -4.559 12.388 -22.080) 25.725 3.441 ( 5.037 5.893 13.717) 15.756 3.546 ( -1.189 -5.445 2.619) 6.158 3.564 ( 0.221 -5.312 1.572) 5.544 3.655 ( -3.480 -4.996 1.334) 6.233 3.872 ( 2.676 -5.653 7.087) 9.451 3.968 ( 0.416 1.485 1.732) 2.319 4.121 ( 4.910 10.770 0.392) 11.843 4.228 ( 1.015 8.713 0.297) 8.777 4.359 ( 9.945 20.148 -0.504) 22.474 4.483 ( 12.432 10.943 -5.147) 17.344 4.827 ( 1.432 13.462 -13.852) 19.369 4.948 ( 0.104 16.365 -13.903) 21.473 5.441 ( -0.328 -0.542 -15.755) 15.768 5.666 ( -3.479 3.478 1.741) 5.218 5.931 ( -6.050 1.187 -0.642) 6.198 6.360 ( 0.457 -5.306 17.846) 18.624 6.601 ( 5.304 -2.803 14.239) 15.451 6.796 ( -1.072 -13.600 6.434) 15.083 7.073 ( -5.690 -8.981 -3.135) 11.085 7.261 ( -0.729 -5.300 -5.885) 7.953 7.348 ( -5.022 -2.928 -1.614) 6.033 7.504 ( 1.971 -4.300 0.370) 4.745 7.764 ( 2.832 -7.793 -3.660) 9.064 8.066 ( 4.192 17.253 10.055) 20.404 8.402 ( 8.055 18.875 -1.863) 20.606 8.988 ( 15.142 5.900 1.180) 16.294 9.211 ( 14.570 2.383 -0.598) 14.776 9.327 ( 15.183 6.252 -1.835) 16.522 9.547 ( 1.465 -3.533 -0.663) 3.882 9.812 ( 8.399 3.814 9.578) 13.297 10.151 ( 7.151 3.214 14.959) 16.889 10.362 ( 13.607 1.470 7.036) 15.389 10.746 ( 2.395 46.032 1.781) 46.129 11.199 ( 0.184 27.390 3.182) 27.574 11.493 ( -2.093 6.631 1.941) 7.219 11.720 ( -4.457 1.499 5.115) 6.948 11.810 ( 2.022 6.561 4.219) 8.058 12.184 ( 0.300 12.095 -0.203) 12.101 12.229 ( 2.327 12.841 1.623) 13.151 12.646 ( -1.926 2.637 -9.586) 10.127 13.188 ( 8.740 -0.113 -19.965) 21.794 13.864 ( -3.726 1.094 -1.681) 4.231 14.422 ( -9.369 -9.841 -16.721) 21.546 14.598 ( -4.361 6.520 17.018) 18.738 14.999 ( -8.095 -4.842 1.411) 9.537 15.155 ( -2.191 -3.196 -6.086) 7.215 15.387 ( 1.739 7.190 -5.292) 9.095 15.700 ( -0.714 -12.168 2.756) 12.497 15.853 ( 1.804 -9.432 5.922) 11.283 15.928 ( -0.659 -15.366 -0.523) 15.389 16.039 ( -0.027 -7.930 3.662) 8.735 16.574 ( -9.094 0.129 2.132) 9.341 16.719 ( -10.000 0.173 -0.896) 10.042 17.017 ( -3.324 -14.053 4.319) 15.073 17.296 ( -18.315 -0.209 0.130) 18.317 17.727 ( -27.123 12.398 -3.616) 30.040 18.141 ( -6.957 -0.851 -11.091) 13.120 18.693 ( -2.976 -0.734 -3.151) 4.396 18.964 ( -15.581 -0.883 3.435) 15.980 19.300 ( -8.066 -1.230 -0.337) 8.166 19.812 ( 49.680 -5.066 -28.568) 57.532 20.188 ( 26.935 -5.558 0.429) 27.506 20.235 ( 25.356 -4.709 1.155) 25.815 22.482 ( -4.620 -11.091 33.036) 35.153 22.918 ( -1.832 -5.450 5.834) 8.191 23.260 ( -8.100 -0.579 -3.339) 8.780 23.539 ( -9.054 -8.168 -4.786) 13.099 ======================= Grid point 145 (51/108) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 18.415 19.219 7.547) 27.667 1.927 ( 19.561 15.720 12.471) 28.023 2.723 ( 10.526 10.821 -13.988) 20.581 2.817 ( -3.620 7.619 -17.558) 19.479 3.214 ( 20.163 14.279 10.584) 26.879 3.461 ( -5.998 -2.328 3.869) 7.507 3.526 ( -2.579 -7.379 -0.637) 7.843 3.579 ( 6.053 4.869 9.903) 12.586 3.672 ( 8.385 9.465 9.177) 15.624 3.877 ( 1.636 -2.806 0.596) 3.302 4.056 ( 3.192 -6.634 -2.952) 7.932 4.145 ( -0.591 8.447 -4.982) 9.825 4.298 ( 4.902 -1.306 9.101) 10.420 4.477 ( 0.182 9.211 0.343) 9.219 4.824 ( 19.788 10.756 -7.487) 23.734 4.900 ( 12.794 21.328 0.527) 24.877 5.124 ( 11.893 8.335 -13.498) 19.828 5.304 ( -8.132 2.013 2.607) 8.774 5.644 ( -0.534 0.231 -6.742) 6.767 5.835 ( -3.662 0.131 -2.492) 4.432 6.389 ( 3.345 -1.727 9.217) 9.956 6.649 ( -1.447 -3.972 2.776) 5.057 6.809 ( 2.331 -5.337 8.910) 10.645 6.917 ( -9.430 -6.414 -1.335) 11.482 7.202 ( -7.446 0.053 -1.656) 7.629 7.264 ( -2.059 -5.012 -5.550) 7.756 7.535 ( 1.763 -2.904 4.191) 5.395 7.872 ( 6.843 -6.910 -5.141) 11.000 8.175 ( 6.397 12.762 6.261) 15.588 8.507 ( 2.475 14.919 -2.744) 15.370 9.206 ( 5.045 -1.658 4.911) 7.233 9.460 ( -1.624 -4.716 -1.261) 5.144 9.679 ( 21.586 8.672 1.762) 23.329 9.770 ( 26.780 8.566 0.994) 28.134 10.015 ( 14.879 13.962 14.864) 25.244 10.438 ( 20.624 0.232 0.988) 20.649 10.692 ( 17.156 12.987 -1.136) 21.547 10.829 ( 8.255 36.622 1.898) 37.589 11.207 ( 0.805 25.631 5.871) 26.307 11.446 ( -2.393 9.682 0.702) 9.998 11.606 ( -6.867 3.740 6.768) 10.342 11.841 ( 1.468 8.311 7.736) 11.449 12.148 ( -2.890 14.398 -5.266) 15.601 12.400 ( 14.904 11.075 2.471) 18.732 12.630 ( 1.025 9.886 -8.530) 13.098 13.374 ( 8.870 0.128 -23.551) 25.167 13.812 ( 0.602 -4.892 -0.908) 5.012 14.208 ( -12.446 -13.330 -12.320) 22.009 14.497 ( -5.047 4.884 18.294) 19.596 14.860 ( -4.803 -1.128 4.750) 6.848 15.096 ( -3.467 -0.774 -4.575) 5.792 15.396 ( -0.942 6.818 -6.536) 9.492 15.653 ( -4.567 -9.715 4.141) 11.506 15.865 ( -2.486 -10.095 0.102) 10.397 15.928 ( 3.007 -9.501 5.303) 11.289 16.064 ( -0.927 -9.953 1.409) 10.095 16.352 ( -11.545 1.979 1.328) 11.788 16.454 ( -15.700 -1.477 -0.816) 15.790 16.943 ( -3.849 -13.113 2.189) 13.840 17.000 ( -11.743 -0.215 0.382) 11.751 17.398 ( -9.310 5.117 -3.585) 11.212 17.884 ( -18.877 -3.723 -13.851) 23.707 18.239 ( -26.602 -7.860 5.485) 28.276 18.530 ( -28.439 -3.954 -2.295) 28.804 19.715 ( 33.978 4.264 5.119) 34.625 20.629 ( 22.565 -6.711 -2.500) 23.674 20.657 ( 32.919 -11.594 -23.485) 42.067 20.740 ( 24.661 -4.810 -0.204) 25.126 22.367 ( -6.828 -6.577 24.157) 25.951 22.855 ( -5.009 -5.138 3.922) 8.177 23.029 ( -15.091 -0.715 -1.998) 15.239 23.301 ( -14.871 -5.690 -3.460) 16.294 ======================= Grid point 146 (52/108) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 21.727 12.295 3.567) 25.219 2.333 ( 21.190 9.406 6.439) 24.062 2.772 ( 0.282 5.834 -14.122) 15.283 2.951 ( 12.061 6.192 -10.498) 17.147 3.276 ( -9.209 1.023 4.001) 10.093 3.393 ( -1.188 -5.254 3.749) 6.563 3.439 ( -4.923 -1.481 4.246) 6.667 3.652 ( 2.036 -1.831 6.158) 6.739 3.889 ( 4.518 -0.486 -2.530) 5.201 3.944 ( -10.348 2.333 -4.160) 11.394 4.114 ( 6.996 -3.730 -3.260) 8.573 4.197 ( 14.207 8.801 4.327) 17.263 4.362 ( -0.016 6.359 5.263) 8.254 4.553 ( 14.286 -4.794 12.956) 19.873 5.018 ( -0.348 -7.651 1.447) 7.795 5.154 ( 8.929 9.163 -0.381) 12.799 5.344 ( 17.689 10.761 -7.078) 21.881 5.416 ( 9.756 6.688 -0.097) 11.829 5.687 ( 5.212 2.351 -6.170) 8.412 5.777 ( 0.922 -1.972 -5.767) 6.165 6.491 ( 5.362 3.738 2.623) 7.043 6.592 ( -2.490 -2.617 -2.334) 4.301 6.726 ( -8.728 1.039 3.849) 9.595 6.820 ( -4.270 -0.795 6.479) 7.801 7.052 ( -4.243 3.668 -1.231) 5.742 7.224 ( -2.443 0.614 -5.254) 5.827 7.561 ( -0.139 -1.548 5.163) 5.392 7.941 ( -2.278 -1.726 -4.712) 5.511 8.310 ( 8.063 7.216 2.634) 11.136 8.559 ( 4.702 5.837 -2.463) 7.890 9.183 ( -5.777 -2.172 2.426) 6.632 9.362 ( -6.892 -5.237 -1.389) 8.767 10.040 ( 13.166 7.321 7.856) 16.990 10.140 ( 13.781 13.718 16.484) 25.492 10.539 ( 31.056 13.326 1.621) 33.833 10.835 ( 15.001 15.849 -1.186) 21.855 10.859 ( 7.109 34.444 -0.286) 35.171 11.087 ( 6.674 23.787 -2.181) 24.802 11.258 ( 2.898 0.701 6.951) 7.563 11.433 ( -3.115 4.886 7.205) 9.246 11.538 ( 11.547 19.035 -1.362) 22.305 11.901 ( 5.689 15.140 2.997) 16.449 12.089 ( -2.864 14.746 -5.456) 15.982 12.641 ( 5.458 6.532 -10.683) 13.660 12.864 ( 27.317 15.527 0.410) 31.424 13.523 ( 7.681 2.435 -18.131) 19.841 13.887 ( -1.158 -8.260 -4.701) 9.574 13.960 ( -6.146 -15.925 -3.085) 17.346 14.461 ( 3.000 -0.868 17.161) 17.443 14.836 ( 2.509 -0.575 0.767) 2.686 15.038 ( -2.198 0.797 -1.663) 2.869 15.344 ( -4.619 2.916 -7.634) 9.387 15.497 ( -12.615 -5.240 5.111) 14.585 15.770 ( -9.721 -4.868 -1.305) 10.950 15.859 ( -14.569 -5.186 3.685) 15.897 15.962 ( -10.229 -4.691 0.534) 11.266 16.087 ( -5.068 0.751 6.465) 8.249 16.364 ( 4.739 -8.356 -2.208) 9.857 16.819 ( -7.820 -2.458 1.480) 8.330 16.883 ( -2.063 -13.144 1.679) 13.411 17.272 ( -7.341 -0.736 -6.393) 9.762 17.465 ( -19.322 -5.367 -8.217) 21.671 17.760 ( -24.304 -8.389 3.206) 25.910 18.009 ( -22.341 -2.989 -4.097) 22.910 20.379 ( 32.994 -0.256 5.661) 33.477 21.016 ( 18.905 -7.176 2.599) 20.388 21.129 ( 17.553 -7.954 -6.659) 20.389 21.234 ( 23.138 -9.977 -12.920) 28.316 22.225 ( -7.572 -3.024 15.366) 17.395 22.657 ( -17.356 -0.220 -2.402) 17.523 22.762 ( -9.350 -3.951 2.426) 10.437 22.976 ( -18.017 -3.657 -1.933) 18.485 ======================= Grid point 147 (53/108) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 19.738 6.635 0.196) 20.824 2.710 ( 16.027 0.936 4.461) 16.663 2.844 ( 8.075 6.760 -5.269) 11.776 3.070 ( -10.183 2.915 3.255) 11.081 3.186 ( 9.205 1.187 -6.767) 11.486 3.273 ( -5.968 0.706 -0.725) 6.053 3.409 ( -2.645 -2.078 4.710) 5.788 3.642 ( -15.903 0.541 -6.052) 17.025 3.663 ( 0.679 0.283 5.657) 5.705 3.995 ( 0.191 -3.011 -1.866) 3.547 4.093 ( -7.371 -1.641 3.904) 8.500 4.149 ( -1.480 -6.409 3.157) 7.296 4.629 ( 15.169 -8.211 -0.050) 17.249 5.015 ( 18.647 1.263 6.923) 19.931 5.083 ( 12.629 -5.222 -0.124) 13.666 5.162 ( -1.955 -9.986 -1.753) 10.326 5.509 ( -3.653 -1.440 -3.559) 5.300 5.617 ( 9.022 5.782 3.618) 11.310 5.732 ( 5.410 1.068 -6.361) 8.418 5.944 ( 3.770 0.971 -2.917) 4.865 6.510 ( -0.976 6.006 -0.447) 6.101 6.559 ( -2.336 12.948 0.523) 13.167 6.613 ( -2.562 6.794 4.692) 8.645 6.728 ( -1.692 5.172 3.061) 6.244 7.106 ( 8.483 5.652 -2.296) 10.449 7.198 ( 1.889 4.119 -3.309) 5.611 7.496 ( -6.693 1.260 3.101) 7.483 7.762 ( -14.638 3.901 -2.886) 15.422 8.501 ( 11.080 1.354 1.721) 11.294 8.695 ( 7.524 -2.334 -1.424) 8.005 9.039 ( -7.340 -1.097 -1.516) 7.575 9.205 ( -9.075 -3.940 -3.887) 10.629 10.239 ( 8.197 4.828 13.753) 16.723 10.343 ( 6.280 7.102 19.908) 22.050 10.878 ( 2.322 28.691 0.264) 28.786 10.988 ( 9.722 28.157 -1.117) 29.809 11.053 ( 4.668 33.617 -0.868) 33.950 11.180 ( -4.808 5.136 13.003) 14.784 11.220 ( 6.435 16.897 3.706) 18.457 11.379 ( -0.568 13.576 6.174) 14.925 11.851 ( 8.957 12.451 -8.512) 17.541 12.013 ( -2.124 12.469 -7.822) 14.872 12.194 ( 23.108 11.736 -11.154) 28.216 12.742 ( 2.978 4.801 -20.431) 21.197 13.488 ( 29.924 4.275 0.285) 30.229 13.646 ( 1.913 7.264 -1.948) 7.760 13.707 ( -1.744 -9.011 7.679) 11.967 14.094 ( 14.369 -7.761 2.968) 16.599 14.600 ( 6.652 -4.775 -2.745) 8.637 14.880 ( -7.212 -3.187 -1.543) 8.034 15.042 ( 1.729 -3.174 0.034) 3.615 15.108 ( -14.805 2.199 6.323) 16.249 15.278 ( -4.115 -1.064 -6.053) 7.397 15.446 ( -19.773 8.012 -3.622) 21.640 15.555 ( -11.194 -4.360 5.983) 13.421 15.753 ( -9.321 -6.970 0.446) 11.648 16.173 ( 7.210 -3.661 6.666) 10.480 16.488 ( 7.282 -7.778 -2.017) 10.844 16.633 ( -12.413 -2.820 2.245) 12.926 16.879 ( 1.253 -12.084 1.818) 12.284 16.965 ( -17.118 -5.589 -3.099) 18.272 17.227 ( -15.901 -10.059 -0.617) 18.826 17.422 ( -2.130 -4.118 -4.347) 6.355 17.681 ( -12.512 -4.089 -6.966) 14.893 20.975 ( 27.667 -4.360 4.489) 28.366 21.363 ( 15.857 -9.522 1.934) 18.597 21.403 ( 10.442 -8.173 -1.131) 13.308 21.569 ( 9.700 -11.706 -6.773) 16.643 22.081 ( -6.519 0.927 7.926) 10.304 22.320 ( -14.906 1.549 0.549) 14.996 22.567 ( -11.382 -2.483 -3.049) 12.042 22.645 ( -13.692 -2.030 -1.029) 13.880 ======================= Grid point 148 (54/108) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( -9.809 2.300 -0.095) 10.076 2.823 ( 9.809 2.300 -0.095) 10.076 2.974 ( -3.588 0.747 2.642) 4.518 2.974 ( 3.588 0.747 2.642) 4.518 3.219 ( -10.282 3.590 0.903) 10.928 3.219 ( 10.282 3.590 0.903) 10.928 3.408 ( -9.094 -0.079 -5.627) 10.695 3.408 ( 9.094 -0.079 -5.627) 10.695 3.782 ( -11.628 3.281 6.372) 13.659 3.782 ( 11.628 3.281 6.372) 13.659 4.125 ( -2.899 -10.317 -0.105) 10.717 4.125 ( 2.899 -10.317 -0.105) 10.717 4.891 ( -12.304 -10.053 -1.180) 15.933 4.891 ( 12.304 -10.053 -1.180) 15.933 5.306 ( -10.807 -12.595 -8.667) 18.723 5.306 ( 10.807 -12.595 -8.667) 18.723 5.592 ( -17.796 3.035 6.918) 19.333 5.592 ( 17.796 3.035 6.918) 19.333 5.831 ( -6.587 2.977 2.361) 7.605 5.831 ( 6.587 2.977 2.361) 7.605 6.535 ( -2.988 10.156 0.683) 10.608 6.535 ( 2.988 10.156 0.683) 10.608 6.653 ( -6.865 12.573 -1.081) 14.366 6.653 ( 6.865 12.573 -1.081) 14.366 7.273 ( -6.693 4.535 0.933) 8.138 7.273 ( 6.693 4.535 0.933) 8.138 7.451 ( -13.349 4.611 -2.393) 14.324 7.451 ( 13.349 4.611 -2.393) 14.324 8.705 ( -8.031 -3.081 2.749) 9.031 8.705 ( 8.031 -3.081 2.749) 9.031 9.029 ( -7.395 -1.534 -6.448) 9.931 9.029 ( 7.395 -1.534 -6.448) 9.931 10.362 ( -3.777 3.523 17.912) 18.642 10.362 ( 3.777 3.523 17.912) 18.642 10.964 ( -6.890 18.867 3.801) 20.442 10.964 ( 6.890 18.867 3.801) 20.442 11.116 ( -1.764 35.339 2.816) 35.495 11.116 ( 1.764 35.339 2.816) 35.495 11.347 ( -3.911 16.594 6.047) 18.089 11.347 ( 3.911 16.594 6.047) 18.089 11.952 ( -3.621 12.040 -8.523) 15.189 11.952 ( 3.621 12.040 -8.523) 15.189 12.626 ( -16.097 2.982 -25.740) 30.505 12.626 ( 16.097 2.982 -25.740) 30.505 13.606 ( -3.897 -2.146 16.229) 16.827 13.606 ( 3.897 -2.146 16.229) 16.827 14.232 ( -29.269 -0.795 -4.363) 29.603 14.232 ( 29.269 -0.795 -4.363) 29.603 14.578 ( -21.051 1.546 3.631) 21.418 14.578 ( 21.051 1.546 3.631) 21.418 14.969 ( -9.817 -0.678 -6.853) 11.992 14.969 ( 9.817 -0.678 -6.853) 11.992 15.361 ( -3.827 -1.390 2.526) 4.792 15.361 ( 3.827 -1.390 2.526) 4.792 15.495 ( -15.158 -4.399 -0.252) 15.785 15.495 ( 15.158 -4.399 -0.252) 15.785 16.358 ( -12.514 -1.765 4.938) 13.568 16.358 ( 12.514 -1.765 4.938) 13.568 16.671 ( -11.424 -7.309 -2.249) 13.747 16.671 ( 11.424 -7.309 -2.249) 13.747 16.982 ( -8.084 -11.512 3.184) 14.423 16.982 ( 8.084 -11.512 3.184) 14.423 17.494 ( -7.006 -4.640 -8.085) 11.661 17.494 ( 7.006 -4.640 -8.085) 11.661 21.410 ( -13.878 -8.559 2.737) 16.533 21.410 ( 13.878 -8.559 2.737) 16.533 21.581 ( -5.333 -11.333 -0.691) 12.544 21.581 ( 5.333 -11.333 -0.691) 12.544 22.085 ( -8.929 2.838 4.123) 10.236 22.085 ( 8.929 2.838 4.123) 10.236 22.467 ( -3.943 -0.841 -4.581) 6.102 22.467 ( 3.943 -0.841 -4.581) 6.102 ======================= Grid point 154 (55/108) ======================= q-point: ( 0.00 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 0.000 21.421 19.610) 29.041 1.933 ( 0.000 26.198 14.919) 30.149 2.764 ( 0.000 14.635 -8.768) 17.061 3.240 ( 0.000 26.241 3.189) 26.434 3.268 ( 0.000 4.763 -14.115) 14.897 3.353 ( 0.000 -2.155 -7.335) 7.645 3.419 ( 0.000 -7.522 -2.822) 8.034 3.593 ( 0.000 -3.012 11.010) 11.414 3.637 ( 0.000 14.100 9.516) 17.011 3.641 ( 0.000 -1.292 8.389) 8.488 4.146 ( 0.000 7.410 3.549) 8.216 4.171 ( 0.000 4.896 -5.604) 7.442 4.527 ( 0.000 10.940 6.707) 12.832 4.550 ( 0.000 5.514 -9.962) 11.386 4.635 ( 0.000 20.056 -5.787) 20.874 5.115 ( 0.000 24.398 -9.345) 26.126 5.338 ( 0.000 15.209 -13.293) 20.200 5.485 ( 0.000 9.596 -21.230) 23.298 5.839 ( 0.000 7.675 5.565) 9.480 6.016 ( 0.000 -0.630 -1.933) 2.033 6.235 ( 0.000 -5.965 18.818) 19.741 6.446 ( 0.000 -21.473 8.838) 23.221 6.474 ( 0.000 -0.612 20.231) 20.241 6.923 ( 0.000 -12.972 -3.847) 13.530 7.055 ( 0.000 -13.547 -6.160) 14.882 7.345 ( 0.000 -6.750 -6.159) 9.138 7.368 ( 0.000 -4.154 2.532) 4.865 7.529 ( 0.000 -13.977 -0.922) 14.007 8.373 ( 0.000 16.713 13.228) 21.314 8.573 ( 0.000 10.782 5.869) 12.276 9.057 ( 0.000 -2.840 6.013) 6.650 9.062 ( 0.000 12.761 -4.093) 13.402 9.344 ( 0.000 13.606 -9.724) 16.723 9.373 ( 0.000 -10.148 1.793) 10.306 9.623 ( 0.000 -5.068 3.785) 6.325 10.127 ( 0.000 -4.344 -5.006) 6.628 10.513 ( 0.000 23.330 30.892) 38.712 11.564 ( 0.000 1.629 3.699) 4.042 11.703 ( 0.000 54.176 0.298) 54.177 11.709 ( 0.000 -3.559 7.875) 8.642 11.855 ( 0.000 16.888 1.242) 16.933 11.950 ( 0.000 30.676 2.375) 30.767 12.422 ( 0.000 12.604 -1.905) 12.747 12.523 ( 0.000 16.382 -8.824) 18.607 12.645 ( 0.000 -1.695 -8.095) 8.271 13.205 ( 0.000 9.935 -26.454) 28.258 13.975 ( 0.000 5.954 -1.394) 6.115 14.322 ( 0.000 -8.983 -5.080) 10.320 14.805 ( 0.000 10.000 17.877) 20.484 14.911 ( 0.000 -11.766 -4.191) 12.490 15.044 ( 0.000 -10.677 -6.410) 12.453 15.326 ( 0.000 -25.170 -0.868) 25.185 15.474 ( 0.000 -26.681 -2.023) 26.758 15.520 ( 0.000 9.172 -2.832) 9.600 15.690 ( 0.000 -10.569 9.893) 14.477 15.935 ( 0.000 -3.328 5.840) 6.722 16.618 ( 0.000 -6.078 4.594) 7.619 16.739 ( 0.000 -17.566 7.531) 19.112 16.841 ( 0.000 3.144 0.225) 3.152 17.397 ( 0.000 -9.130 -1.577) 9.265 18.415 ( 0.000 15.207 -4.385) 15.827 18.480 ( 0.000 7.617 -4.148) 8.673 18.664 ( 0.000 7.467 -11.303) 13.547 18.946 ( 0.000 3.317 -22.160) 22.407 19.403 ( 0.000 -6.005 -0.116) 6.006 19.552 ( 0.000 -6.941 -1.021) 7.016 19.594 ( 0.000 -4.799 2.897) 5.606 19.715 ( 0.000 -6.624 1.146) 6.723 22.401 ( 0.000 -1.580 25.804) 25.852 22.816 ( 0.000 -7.056 7.777) 10.501 23.329 ( 0.000 -0.631 -4.502) 4.546 23.464 ( 0.000 -7.438 -6.459) 9.851 ======================= Grid point 155 (56/108) ======================= q-point: ( 0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 7.306 21.961 13.658) 26.874 2.038 ( 9.241 23.846 14.149) 29.227 2.807 ( 3.901 11.751 -10.117) 15.990 3.178 ( -8.670 15.447 -18.542) 25.643 3.276 ( 1.921 5.791 5.778) 8.403 3.360 ( 3.707 -1.896 -0.423) 4.185 3.418 ( 0.266 -6.010 -1.532) 6.208 3.597 ( -2.033 -2.599 8.133) 8.777 3.678 ( 5.420 -9.230 8.347) 13.573 3.775 ( 12.322 25.976 8.209) 29.899 4.052 ( -5.590 5.591 0.283) 7.911 4.234 ( 2.100 3.721 -2.078) 4.751 4.460 ( -4.523 11.800 4.923) 13.562 4.582 ( 1.689 1.159 -8.457) 8.702 4.768 ( 11.055 16.326 -4.814) 20.296 5.156 ( 3.480 21.305 -7.843) 22.968 5.276 ( -2.296 16.368 -12.224) 20.558 5.491 ( -2.015 6.133 -11.523) 13.208 5.772 ( -5.502 7.794 4.619) 10.600 5.947 ( -5.528 0.493 -0.219) 5.554 6.258 ( 3.584 -5.223 10.096) 11.919 6.470 ( 2.321 -14.065 8.614) 16.656 6.591 ( 8.584 -3.088 14.521) 17.149 6.871 ( -4.170 -11.657 -3.046) 12.750 7.078 ( 2.157 -12.246 -4.739) 13.307 7.291 ( -3.799 -3.784 -3.799) 6.571 7.416 ( 3.015 -4.944 1.209) 5.916 7.561 ( 3.956 -13.126 -1.750) 13.820 8.382 ( 0.888 15.129 12.079) 19.380 8.708 ( 10.221 12.732 3.425) 16.683 9.082 ( 4.189 2.280 3.123) 5.701 9.285 ( 13.050 1.716 -3.609) 13.649 9.406 ( 8.778 -3.191 3.180) 9.866 9.494 ( 15.645 9.377 -2.671) 18.434 9.846 ( 20.916 -1.845 -0.621) 21.006 10.166 ( 5.158 -1.985 -4.077) 6.868 10.562 ( 5.308 17.783 28.227) 33.781 11.551 ( -2.426 -0.043 2.977) 3.840 11.701 ( 0.593 6.975 7.392) 10.180 11.726 ( 1.712 45.883 1.672) 45.945 11.861 ( 1.262 8.592 3.780) 9.471 11.954 ( 1.064 40.153 0.814) 40.176 12.436 ( 2.132 10.918 -3.487) 11.658 12.509 ( -1.655 15.243 -7.075) 16.886 12.730 ( 8.129 4.788 -9.344) 13.279 13.245 ( 4.149 6.896 -26.327) 27.530 13.933 ( -4.239 6.611 -1.151) 7.938 14.226 ( -9.349 -7.863 -4.990) 13.196 14.729 ( -6.533 5.459 16.032) 18.152 14.869 ( -4.014 -8.461 0.370) 9.372 15.052 ( 0.316 -7.998 -6.989) 10.626 15.376 ( 4.131 -21.736 0.860) 22.142 15.470 ( -0.069 -18.236 -4.353) 18.749 15.559 ( 2.676 -0.291 -1.962) 3.331 15.691 ( 0.430 -10.342 9.385) 13.972 15.915 ( -1.524 -4.063 5.059) 6.665 16.515 ( -9.881 -6.363 4.689) 12.653 16.709 ( -2.935 -17.176 6.225) 18.504 16.758 ( -8.307 3.870 0.094) 9.165 17.258 ( -12.121 -4.004 -1.642) 12.870 17.945 ( -30.115 10.425 -5.499) 32.339 18.186 ( -15.354 5.803 -9.563) 18.997 18.621 ( -23.635 -6.180 -4.181) 24.785 18.917 ( -18.103 -5.178 -3.520) 19.155 19.333 ( 12.289 5.389 2.317) 13.617 19.753 ( 38.341 -1.034 -16.092) 41.594 20.063 ( 25.570 -7.611 -0.258) 26.680 20.127 ( 26.006 -6.602 0.878) 26.846 22.379 ( -2.250 -0.910 23.393) 23.519 22.799 ( -1.750 -6.967 7.200) 10.171 23.246 ( -8.400 -0.801 -4.346) 9.492 23.391 ( -7.307 -6.760 -5.760) 11.501 ======================= Grid point 156 (57/108) ======================= q-point: ( 0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 13.990 20.004 5.427) 25.007 2.256 ( 12.766 18.793 10.051) 24.843 2.898 ( 4.792 6.231 -10.372) 13.014 3.013 ( -6.500 13.311 -15.671) 21.564 3.288 ( -0.776 -5.923 2.376) 6.428 3.390 ( -1.963 -5.841 0.740) 6.206 3.454 ( 2.060 0.326 1.179) 2.396 3.575 ( 1.033 0.554 8.544) 8.624 3.798 ( 4.948 -9.507 9.531) 14.343 3.920 ( -3.046 2.599 -1.404) 4.243 4.115 ( 16.566 23.383 4.651) 29.031 4.208 ( -5.435 -1.877 -4.326) 7.196 4.394 ( 0.030 10.942 6.549) 12.752 4.565 ( -2.866 -1.255 -3.036) 4.360 4.958 ( 1.860 1.342 0.913) 2.469 5.211 ( 3.862 13.054 -10.600) 17.253 5.335 ( 8.085 11.326 -4.529) 14.635 5.456 ( 1.644 13.708 2.999) 14.128 5.701 ( -0.507 5.006 -4.247) 6.585 5.832 ( -5.492 1.215 -2.567) 6.183 6.395 ( 9.736 2.082 2.585) 10.286 6.487 ( -0.207 -10.116 1.303) 10.202 6.735 ( 4.173 -4.295 6.591) 8.905 6.820 ( 0.540 -2.611 4.698) 5.402 7.136 ( 3.646 -8.633 -3.631) 10.050 7.204 ( -4.813 0.510 -2.358) 5.384 7.479 ( 3.346 -3.271 2.371) 5.245 7.686 ( 8.239 -12.310 -3.239) 15.163 8.411 ( 1.964 11.929 8.344) 14.690 8.794 ( -1.934 14.032 -1.029) 14.202 9.184 ( 2.954 -0.821 3.930) 4.985 9.307 ( -2.931 -10.236 1.890) 10.814 9.849 ( 23.329 8.801 1.313) 24.968 9.937 ( 30.102 8.558 -0.352) 31.297 10.290 ( 17.770 11.994 2.856) 21.628 10.405 ( 23.322 -2.451 0.585) 23.458 10.755 ( 15.768 2.820 15.049) 21.979 11.447 ( -7.681 -1.398 4.276) 8.902 11.719 ( 1.398 6.127 6.635) 9.139 11.776 ( 3.421 51.553 0.657) 51.670 11.971 ( 9.821 15.244 4.704) 18.734 12.005 ( 4.799 39.263 1.602) 39.587 12.442 ( -2.591 16.451 -8.380) 18.644 12.560 ( 8.934 7.026 -4.407) 12.190 12.929 ( 11.874 15.850 -10.339) 22.341 13.365 ( 7.966 -0.870 -24.317) 25.603 13.830 ( -4.984 7.409 -1.376) 9.035 13.989 ( -14.046 -6.370 -3.830) 15.892 14.588 ( -7.313 3.388 16.657) 18.504 14.790 ( -3.288 -6.303 3.269) 7.824 15.041 ( -1.388 -5.634 -6.099) 8.418 15.420 ( -2.481 -13.541 1.043) 13.806 15.461 ( 0.091 -13.864 -4.811) 14.676 15.596 ( 0.767 -4.927 -0.730) 5.039 15.729 ( 3.876 -11.193 6.793) 13.655 15.891 ( -1.686 -7.182 3.697) 8.252 16.284 ( -11.818 -7.078 4.696) 14.554 16.523 ( -15.063 6.868 -0.233) 16.557 16.642 ( -3.790 -17.664 4.196) 18.547 17.004 ( -12.753 -0.378 -1.188) 12.814 17.498 ( -16.143 5.334 -4.171) 17.506 17.830 ( -22.408 -1.278 -11.673) 25.299 18.077 ( -26.799 -8.811 3.198) 28.391 18.421 ( -27.982 -7.459 -4.533) 29.312 19.818 ( 29.508 6.645 3.967) 30.505 20.455 ( 31.347 -7.588 -15.870) 35.946 20.498 ( 20.153 -8.165 1.491) 21.796 20.634 ( 24.561 -6.279 -1.069) 25.373 22.316 ( -4.151 0.614 17.671) 18.162 22.743 ( -4.183 -6.514 5.048) 9.242 23.015 ( -14.854 -0.621 -3.400) 15.251 23.188 ( -13.192 -5.635 -4.214) 14.951 ======================= Grid point 157 (58/108) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 15.183 15.641 2.060) 21.895 2.522 ( 13.604 10.826 4.326) 17.916 2.903 ( -0.571 6.938 -8.115) 10.692 3.048 ( 6.984 4.572 -9.517) 12.659 3.248 ( -3.714 -4.770 1.288) 6.181 3.317 ( -4.084 -1.549 4.906) 6.569 3.445 ( -3.160 0.239 0.258) 3.180 3.613 ( 1.684 -0.904 8.554) 8.765 3.813 ( 0.172 -5.261 5.863) 7.879 3.895 ( -6.195 -7.510 -8.656) 13.027 4.041 ( -6.255 -4.026 -3.065) 8.045 4.285 ( 3.213 2.037 0.205) 3.810 4.439 ( -6.851 -1.192 5.398) 8.804 4.701 ( 20.714 14.569 8.598) 26.744 4.856 ( -2.074 -4.920 3.417) 6.339 5.210 ( -7.761 -1.355 -5.834) 9.804 5.540 ( 6.696 5.222 -0.228) 8.494 5.579 ( 8.346 10.001 -0.239) 13.028 5.665 ( 0.044 1.190 -8.329) 8.414 5.862 ( 8.098 6.463 -3.326) 10.882 6.502 ( 4.373 -0.917 0.060) 4.469 6.618 ( 10.557 5.968 0.915) 12.162 6.754 ( 0.070 0.407 4.100) 4.121 6.850 ( 0.016 3.422 5.083) 6.128 7.143 ( 0.082 5.703 -1.572) 5.916 7.206 ( 3.226 -2.122 -3.551) 5.246 7.533 ( 1.768 -1.478 3.639) 4.307 7.834 ( 5.053 -9.269 -3.946) 11.270 8.455 ( 2.696 7.994 4.007) 9.340 8.710 ( -4.624 9.268 -1.175) 10.424 9.136 ( -6.374 -3.029 1.005) 7.129 9.228 ( -5.348 -8.385 0.401) 9.953 10.177 ( 11.275 7.269 7.707) 15.472 10.402 ( 9.913 13.420 12.686) 20.960 10.703 ( 28.995 3.256 7.093) 30.027 10.896 ( 22.166 1.578 -3.237) 22.456 11.136 ( 19.747 -1.585 1.437) 19.862 11.284 ( -7.327 -1.195 8.249) 11.098 11.820 ( 5.978 34.076 -1.392) 34.625 11.863 ( 8.585 34.051 -1.605) 35.153 12.089 ( 6.628 45.698 2.766) 46.258 12.220 ( 10.925 16.066 0.652) 19.440 12.406 ( 0.162 19.419 -5.200) 20.104 12.791 ( 12.337 8.734 -9.896) 18.067 13.190 ( 14.877 14.303 -9.191) 22.592 13.541 ( 9.979 -1.213 -10.467) 14.512 13.722 ( -9.844 -3.252 -0.249) 10.371 13.826 ( 5.237 2.539 -9.339) 11.004 14.466 ( -4.449 1.034 17.349) 17.940 14.766 ( 1.328 -6.725 0.681) 6.888 15.005 ( -2.404 -4.749 -2.683) 5.961 15.285 ( -9.937 -9.539 -0.707) 13.793 15.426 ( -5.819 -8.973 -2.385) 10.958 15.584 ( -2.225 -6.844 0.379) 7.206 15.741 ( -10.775 -7.326 3.356) 13.454 15.821 ( -0.271 -8.789 1.613) 8.940 16.117 ( -9.122 -4.980 5.127) 11.589 16.261 ( -4.102 3.871 0.036) 5.640 16.581 ( -2.141 -18.030 2.899) 18.386 16.787 ( -9.435 -1.209 1.362) 9.609 17.250 ( -14.153 -1.418 -5.473) 15.240 17.368 ( -19.324 -4.020 -7.960) 21.282 17.593 ( -24.112 -8.733 2.555) 25.771 17.915 ( -22.406 -6.918 -5.820) 24.162 20.387 ( 28.161 1.386 4.673) 28.579 20.863 ( 17.490 -8.692 2.914) 19.747 20.950 ( 19.642 -8.984 -9.355) 23.538 21.067 ( 19.467 -7.900 -3.001) 21.222 22.223 ( -5.192 2.273 11.136) 12.495 22.624 ( -9.274 -3.932 -0.308) 10.078 22.704 ( -14.956 -1.242 0.117) 15.008 22.894 ( -16.432 -4.614 -2.686) 17.278 ======================= Grid point 158 (59/108) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 14.377 9.015 0.934) 16.995 2.736 ( 8.538 2.745 1.940) 9.176 2.963 ( 4.908 4.397 2.506) 7.050 3.121 ( -6.967 1.203 0.516) 7.089 3.177 ( 1.797 1.029 -1.000) 2.300 3.271 ( 1.152 -2.742 -0.298) 2.989 3.389 ( -2.045 -0.214 -0.578) 2.136 3.596 ( -6.554 -0.714 3.490) 7.460 3.690 ( -4.109 -2.606 -3.586) 6.045 3.865 ( 3.633 -7.522 -0.115) 8.354 3.980 ( -2.675 -6.066 0.709) 6.668 4.133 ( -15.917 -1.568 4.349) 16.575 4.483 ( 10.289 -5.449 -0.131) 11.644 4.840 ( 6.004 -11.928 -6.203) 14.724 4.979 ( -11.514 -8.374 -4.125) 14.823 5.215 ( 15.748 8.606 3.219) 18.232 5.398 ( -5.892 -4.669 -2.202) 7.834 5.748 ( 6.030 7.068 3.469) 9.917 5.823 ( 7.154 4.818 -0.458) 8.638 5.961 ( -0.671 1.239 1.152) 1.820 6.620 ( 5.952 6.467 1.218) 8.873 6.736 ( 1.250 5.515 2.921) 6.365 6.793 ( 3.340 9.396 -1.201) 10.044 6.860 ( 2.349 7.993 2.380) 8.665 7.242 ( 10.115 7.962 -1.699) 12.985 7.269 ( 4.164 3.993 -2.994) 6.499 7.525 ( -2.882 1.797 3.447) 4.839 7.805 ( -8.819 -0.398 -2.988) 9.320 8.533 ( 5.631 2.346 1.548) 6.293 8.671 ( 0.500 0.354 0.505) 0.794 8.998 ( -6.255 -3.355 -2.890) 7.664 9.101 ( -7.390 -6.946 -3.071) 10.597 10.340 ( 6.480 5.945 13.894) 16.444 10.488 ( 0.632 8.503 19.171) 20.981 10.990 ( 3.064 -8.192 9.207) 12.699 11.090 ( -4.703 -1.943 7.092) 8.729 11.442 ( 24.100 14.421 -4.769) 28.488 11.518 ( 17.834 10.826 -0.192) 20.864 11.856 ( -0.871 35.214 -1.964) 35.280 11.996 ( 0.783 37.968 -5.993) 38.446 12.271 ( 6.800 31.097 -4.874) 32.203 12.320 ( 1.248 24.505 -4.162) 24.887 12.529 ( 11.987 24.000 -6.162) 27.526 12.917 ( -1.562 13.717 -17.180) 22.040 13.411 ( 7.405 -6.195 7.085) 11.975 13.730 ( 19.663 6.476 3.630) 21.018 13.822 ( 2.223 10.010 -2.103) 10.467 14.014 ( 20.400 1.057 -2.036) 20.529 14.476 ( 5.615 -8.142 -0.905) 9.932 14.795 ( -6.558 -4.992 -0.762) 8.277 14.932 ( -0.929 -8.843 0.984) 8.946 15.096 ( -8.925 -6.448 -1.337) 11.092 15.200 ( -12.984 -6.928 3.623) 15.156 15.494 ( -6.723 -1.148 -0.807) 6.868 15.524 ( -12.002 -4.794 -2.944) 13.256 15.625 ( -12.888 -2.430 -1.753) 13.232 16.100 ( 7.324 -3.673 7.830) 11.333 16.337 ( 7.017 -7.020 -0.313) 9.931 16.545 ( -4.473 -11.359 1.494) 12.299 16.640 ( -3.331 -7.367 5.498) 9.778 16.871 ( -18.613 -3.412 -3.409) 19.227 17.032 ( -20.993 -9.130 0.233) 22.894 17.313 ( -1.826 -7.266 -5.233) 9.138 17.567 ( -13.695 -8.073 -7.743) 17.683 20.895 ( 23.385 -3.592 4.113) 24.014 21.173 ( 13.789 -9.962 3.257) 17.320 21.236 ( 9.644 -8.606 -2.406) 13.147 21.348 ( 7.834 -10.524 -2.060) 13.280 22.132 ( -3.251 3.878 5.409) 7.408 22.355 ( -13.921 2.062 -0.381) 14.078 22.505 ( -8.148 -3.926 -2.012) 9.265 22.591 ( -12.991 -3.440 -1.928) 13.576 ======================= Grid point 159 (60/108) ======================= q-point: (-0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( -3.045 1.960 4.774) 5.992 2.861 ( 3.045 1.960 4.774) 5.992 3.003 ( -4.242 2.142 0.263) 4.759 3.003 ( 4.242 2.142 0.263) 4.759 3.221 ( -6.448 -2.598 4.298) 8.173 3.221 ( 6.448 -2.598 4.298) 8.173 3.440 ( -7.470 2.635 -8.130) 11.351 3.440 ( 7.470 2.635 -8.130) 11.351 3.811 ( -12.784 -1.516 5.079) 13.839 3.811 ( 12.784 -1.516 5.079) 13.839 3.940 ( -3.474 -7.496 0.570) 8.282 3.940 ( 3.474 -7.496 0.570) 8.282 4.711 ( -12.627 -7.860 -4.219) 15.460 4.711 ( 12.627 -7.860 -4.219) 15.460 5.063 ( -13.450 -12.312 -9.367) 20.500 5.063 ( 13.450 -12.312 -9.367) 20.500 5.677 ( -15.241 5.786 8.109) 18.208 5.677 ( 15.241 5.786 8.109) 18.208 5.904 ( -2.783 3.582 3.122) 5.507 5.904 ( 2.783 3.582 3.122) 5.507 6.711 ( -3.458 8.230 1.045) 8.988 6.711 ( 3.458 8.230 1.045) 8.988 6.863 ( -2.866 8.751 -1.602) 9.347 6.863 ( 2.866 8.751 -1.602) 9.347 7.380 ( -5.008 6.174 1.204) 8.040 7.380 ( 5.008 6.174 1.204) 8.040 7.551 ( -13.580 5.600 -2.005) 14.826 7.551 ( 13.580 5.600 -2.005) 14.826 8.648 ( -4.578 -2.383 2.504) 5.737 8.648 ( 4.578 -2.383 2.504) 5.737 8.971 ( -4.307 -4.662 -6.107) 8.808 8.971 ( 4.307 -4.662 -6.107) 8.808 10.447 ( -4.356 5.616 18.007) 19.358 10.447 ( 4.356 5.616 18.007) 19.358 11.021 ( -2.018 -4.460 10.163) 11.281 11.021 ( 2.018 -4.460 10.163) 11.281 11.726 ( -6.444 21.914 -5.750) 23.555 11.726 ( 6.444 21.914 -5.750) 23.555 11.898 ( -10.315 27.367 -2.742) 29.374 11.898 ( 10.315 27.367 -2.742) 29.374 12.320 ( -1.248 30.626 -4.368) 30.961 12.320 ( 1.248 30.626 -4.368) 30.961 12.767 ( -11.106 15.721 -16.523) 25.368 12.767 ( 11.106 15.721 -16.523) 25.368 13.645 ( -14.320 5.984 13.718) 20.714 13.645 ( 14.320 5.984 13.718) 20.714 14.213 ( -22.112 -0.803 -2.897) 22.315 14.213 ( 22.112 -0.803 -2.897) 22.315 14.599 ( -19.257 -0.013 0.394) 19.261 14.599 ( 19.257 -0.013 0.394) 19.261 14.873 ( -8.389 -9.661 -4.971) 13.727 14.873 ( 8.389 -9.661 -4.971) 13.727 15.276 ( -12.919 -8.134 0.324) 15.270 15.276 ( 12.919 -8.134 0.324) 15.270 15.457 ( -3.944 0.512 -1.577) 4.278 15.457 ( 3.944 0.512 -1.577) 4.278 16.299 ( -11.929 -5.473 4.561) 13.895 16.299 ( 11.929 -5.473 4.561) 13.895 16.558 ( -10.546 -3.267 -0.941) 11.081 16.558 ( 10.546 -3.267 -0.941) 11.081 16.733 ( -8.559 -13.040 4.521) 16.240 16.733 ( 8.559 -13.040 4.521) 16.240 17.370 ( -6.667 -8.495 -8.366) 13.660 17.370 ( 6.667 -8.495 -8.366) 13.660 21.251 ( -10.721 -7.718 2.708) 13.485 21.251 ( 10.721 -7.718 2.708) 13.485 21.360 ( -4.572 -10.917 0.861) 11.867 21.360 ( 4.572 -10.917 0.861) 11.867 22.151 ( -6.258 3.769 2.349) 7.673 22.151 ( 6.258 3.769 2.349) 7.673 22.433 ( -2.671 -2.616 -3.807) 5.336 22.433 ( 2.671 -2.616 -3.807) 5.336 ======================= Grid point 165 (61/108) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 0.000 21.484 11.709) 24.468 2.411 ( 0.000 23.569 11.902) 26.403 2.941 ( 0.000 3.854 -7.069) 8.051 3.001 ( 0.000 -17.882 2.528) 18.060 3.288 ( 0.000 -5.804 -6.101) 8.420 3.333 ( 0.000 -13.599 5.922) 14.833 3.476 ( 0.000 5.285 7.220) 8.948 3.546 ( 0.000 2.753 -5.671) 6.304 3.740 ( 0.000 15.855 -3.586) 16.256 4.192 ( 0.000 11.197 -4.971) 12.251 4.247 ( 0.000 3.106 -2.998) 4.317 4.372 ( 0.000 20.738 5.657) 21.496 4.437 ( 0.000 -1.596 -12.378) 12.481 4.774 ( 0.000 13.998 10.752) 17.650 4.978 ( 0.000 11.691 -4.667) 12.588 5.496 ( 0.000 -4.302 -12.782) 13.487 5.582 ( 0.000 18.690 -4.958) 19.337 5.685 ( 0.000 12.188 -7.005) 14.058 5.950 ( 0.000 -9.713 1.228) 9.791 5.988 ( 0.000 4.424 -0.497) 4.452 6.116 ( 0.000 -2.426 11.530) 11.783 6.182 ( 0.000 0.598 9.493) 9.512 6.540 ( 0.000 8.700 14.223) 16.673 6.651 ( 0.000 -14.494 -3.732) 14.967 6.775 ( 0.000 -14.998 -3.890) 15.494 7.203 ( 0.000 -17.250 0.921) 17.275 7.236 ( 0.000 -3.849 -4.668) 6.050 7.294 ( 0.000 -5.906 0.619) 5.939 8.656 ( 0.000 13.440 13.999) 19.406 8.749 ( 0.000 8.185 5.886) 10.081 8.988 ( 0.000 -4.396 6.221) 7.617 9.149 ( 0.000 -12.695 7.803) 14.901 9.243 ( 0.000 7.619 -2.372) 7.980 9.514 ( 0.000 -6.499 0.280) 6.505 9.648 ( 0.000 15.884 -9.527) 18.522 10.041 ( 0.000 -5.287 -6.767) 8.588 10.931 ( 0.000 19.896 21.252) 29.112 11.497 ( 0.000 -8.986 8.313) 12.242 11.706 ( 0.000 3.298 6.450) 7.244 11.852 ( 0.000 -2.892 5.771) 6.455 12.525 ( 0.000 6.977 -7.005) 9.887 12.607 ( 0.000 -1.906 -6.834) 7.095 12.773 ( 0.000 49.356 2.077) 49.399 12.841 ( 0.000 16.430 -14.927) 22.199 12.917 ( 0.000 53.310 -3.062) 53.397 13.341 ( 0.000 1.263 -32.411) 32.436 14.184 ( 0.000 17.189 0.456) 17.195 14.271 ( 0.000 4.403 2.959) 5.305 14.580 ( 0.000 -31.634 -1.197) 31.657 14.712 ( 0.000 -17.776 0.028) 17.776 14.776 ( 0.000 -35.951 -3.693) 36.140 14.957 ( 0.000 -21.392 -7.114) 22.544 15.015 ( 0.000 11.809 18.458) 21.912 15.479 ( 0.000 -11.672 14.112) 18.313 15.701 ( 0.000 9.804 -3.631) 10.454 15.926 ( 0.000 1.098 -0.923) 1.435 16.423 ( 0.000 -13.853 12.189) 18.452 16.458 ( 0.000 -9.565 8.669) 12.909 16.934 ( 0.000 6.257 -0.557) 6.282 17.228 ( 0.000 -8.646 -2.241) 8.931 18.629 ( 0.000 7.793 -5.433) 9.500 18.681 ( 0.000 10.957 -9.098) 14.242 18.803 ( 0.000 6.895 -11.648) 13.536 18.963 ( 0.000 -1.468 -13.701) 13.780 19.314 ( 0.000 -2.187 -0.048) 2.188 19.445 ( 0.000 -3.535 -0.037) 3.535 19.496 ( 0.000 -5.517 1.372) 5.685 19.560 ( 0.000 -9.094 1.897) 9.290 22.430 ( 0.000 3.939 18.453) 18.869 22.673 ( 0.000 -7.642 10.372) 12.883 23.317 ( 0.000 -0.495 -5.383) 5.405 23.358 ( 0.000 -3.664 -6.599) 7.548 ======================= Grid point 166 (62/108) ======================= q-point: ( 0.10 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 6.242 20.928 8.621) 23.479 2.482 ( 6.349 22.073 10.741) 25.355 2.952 ( 0.955 3.185 -7.180) 7.913 3.031 ( 3.014 -16.680 1.503) 17.016 3.277 ( -0.807 -5.569 -5.695) 8.006 3.380 ( 3.697 -12.686 5.791) 14.426 3.428 ( -5.999 8.138 -2.259) 10.360 3.525 ( -0.361 1.639 -0.421) 1.730 3.708 ( -2.041 13.037 2.016) 13.349 4.154 ( -5.247 4.635 -3.221) 7.706 4.247 ( -1.458 0.935 -4.559) 4.878 4.395 ( 1.050 -3.895 -2.983) 5.017 4.451 ( 2.942 24.096 -2.527) 24.406 4.737 ( -2.611 14.793 11.451) 18.888 5.001 ( 0.344 4.791 -0.532) 4.832 5.484 ( -0.896 -0.287 -12.041) 12.078 5.506 ( -5.133 11.447 -2.205) 12.737 5.637 ( -2.451 12.079 -4.304) 13.055 5.863 ( -6.962 -7.513 2.343) 10.508 5.977 ( -3.011 8.497 0.912) 9.061 6.202 ( 11.125 1.092 0.660) 11.198 6.299 ( 6.487 -0.483 4.494) 7.907 6.549 ( 1.336 -4.627 5.503) 7.313 6.708 ( 6.228 0.077 6.453) 8.968 6.812 ( 4.025 -15.171 -3.239) 16.026 7.231 ( 0.004 -1.787 -3.549) 3.973 7.250 ( 4.642 -16.243 0.431) 16.899 7.335 ( 3.784 -6.236 0.290) 7.300 8.646 ( -0.733 12.911 12.167) 17.756 8.899 ( 12.033 7.741 4.952) 15.141 9.079 ( 6.626 -2.121 4.541) 8.308 9.129 ( -1.339 -11.827 6.296) 13.465 9.490 ( 22.266 6.953 -0.321) 23.329 9.730 ( 17.124 8.705 -3.977) 19.617 9.768 ( 17.172 -1.195 -2.834) 17.446 10.106 ( 8.449 -4.633 -7.015) 11.919 10.918 ( -1.198 18.208 21.217) 27.984 11.458 ( -3.989 -8.973 8.722) 13.133 11.729 ( 2.713 3.087 6.773) 7.922 11.858 ( 1.932 -2.189 5.951) 6.628 12.530 ( 2.477 10.003 -7.932) 13.004 12.716 ( 5.236 5.210 -9.917) 12.366 12.783 ( 3.249 28.509 -2.310) 28.787 12.851 ( 2.384 27.488 -8.261) 28.802 12.939 ( 2.212 52.354 -2.988) 52.486 13.334 ( -0.815 -0.273 -30.086) 30.098 14.166 ( -1.715 18.298 -0.619) 18.388 14.208 ( -6.142 5.725 1.917) 8.612 14.561 ( -1.897 -25.280 2.504) 25.474 14.685 ( -2.541 -14.860 2.853) 15.343 14.770 ( -0.207 -31.679 -3.735) 31.899 14.973 ( 1.789 -20.904 -6.620) 22.001 15.087 ( 6.057 2.517 13.175) 14.718 15.482 ( 0.373 -11.422 13.393) 17.606 15.702 ( -0.082 8.663 -4.137) 9.600 15.892 ( -3.333 0.742 0.211) 3.421 16.360 ( -8.805 -9.204 8.704) 15.427 16.389 ( -3.924 -14.249 10.678) 18.233 16.865 ( -6.944 6.780 -0.891) 9.746 17.150 ( -7.565 -7.001 -2.474) 10.600 18.130 ( -31.224 9.275 -5.721) 33.071 18.348 ( -22.417 10.489 -8.591) 26.198 18.477 ( -30.236 -8.565 -4.605) 31.762 18.768 ( -23.711 -9.812 -6.957) 26.588 19.490 ( 21.622 10.268 2.070) 24.026 19.772 ( 32.427 2.871 -8.697) 33.695 19.899 ( 23.903 -9.561 -0.308) 25.746 19.991 ( 27.781 -7.357 -0.546) 28.744 22.415 ( -1.518 4.147 16.832) 17.402 22.659 ( -1.507 -7.529 9.491) 12.208 23.234 ( -8.234 -0.252 -5.248) 9.768 23.291 ( -6.866 -3.737 -5.840) 9.758 ======================= Grid point 167 (63/108) ======================= q-point: ( 0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 11.000 18.527 3.171) 21.779 2.620 ( 7.142 18.367 6.952) 20.897 2.973 ( 1.009 1.503 -6.000) 6.268 3.097 ( 2.643 -12.653 0.680) 12.944 3.267 ( -2.790 -0.338 -4.596) 5.387 3.280 ( -4.233 7.428 -9.446) 12.740 3.413 ( -1.031 -5.287 3.593) 6.475 3.569 ( 4.437 -9.737 3.473) 11.250 3.689 ( 0.051 8.531 6.914) 10.981 4.008 ( -9.281 5.379 0.449) 10.736 4.133 ( -9.257 -5.709 -4.496) 11.768 4.368 ( -3.348 -10.163 -7.126) 12.855 4.472 ( -4.019 11.775 6.868) 14.212 4.794 ( 8.322 21.926 8.697) 25.013 4.904 ( -7.817 -4.150 8.579) 12.326 5.437 ( -6.373 8.428 -12.814) 16.609 5.526 ( 6.567 10.322 -5.153) 13.274 5.593 ( 0.468 -3.870 2.371) 4.563 5.767 ( -4.733 1.020 -2.698) 5.542 5.905 ( -1.648 4.033 -1.767) 4.701 6.391 ( 7.618 3.089 -1.243) 8.314 6.477 ( 13.309 5.805 -2.310) 14.702 6.631 ( 6.009 -5.119 5.010) 9.350 6.823 ( 4.932 0.193 5.733) 7.565 6.956 ( 10.132 -6.895 0.268) 12.258 7.235 ( 0.857 2.990 -2.187) 3.802 7.383 ( 7.672 -10.864 -0.449) 13.307 7.433 ( 6.636 -9.860 0.326) 11.889 8.634 ( -0.555 11.655 8.710) 14.560 9.013 ( -2.693 8.533 0.053) 8.948 9.091 ( -2.358 -11.728 4.868) 12.915 9.169 ( 1.084 -1.223 2.551) 3.030 10.003 ( 25.013 7.191 1.606) 26.075 10.090 ( 24.034 6.748 0.408) 24.967 10.316 ( 32.972 -2.618 -1.340) 33.103 10.434 ( 23.538 -0.726 -5.247) 24.126 10.894 ( -0.442 11.975 20.567) 23.804 11.347 ( -7.095 -8.227 10.138) 14.859 11.832 ( 9.441 6.091 5.447) 12.486 12.013 ( 15.374 -1.338 5.045) 16.236 12.601 ( 0.182 22.258 -11.744) 25.168 12.706 ( 2.732 9.583 -10.185) 14.249 12.907 ( 5.269 37.590 -0.907) 37.968 12.984 ( 4.012 47.341 -2.989) 47.605 13.047 ( 14.891 1.745 -10.131) 18.095 13.313 ( -0.396 -1.755 -20.694) 20.772 14.050 ( -9.551 10.854 1.322) 14.518 14.123 ( -2.536 20.127 -3.905) 20.658 14.516 ( -2.223 -13.239 7.756) 15.504 14.621 ( -3.741 -12.148 4.702) 13.553 14.774 ( 0.480 -28.502 -4.335) 28.834 15.008 ( 0.959 -20.150 -6.840) 21.301 15.199 ( 4.111 -4.696 8.244) 10.340 15.494 ( 0.623 -11.729 10.085) 15.481 15.693 ( -0.864 6.285 -4.875) 8.001 15.810 ( -4.785 -1.368 3.224) 5.930 16.141 ( -12.049 -7.034 9.434) 16.842 16.302 ( -4.749 -16.628 7.216) 18.738 16.674 ( -12.201 8.518 -1.390) 14.945 16.959 ( -11.218 -4.607 -2.563) 12.395 17.601 ( -22.315 5.545 -3.687) 23.287 17.830 ( -29.865 -1.912 -5.449) 30.418 17.945 ( -23.658 -1.296 -3.444) 23.943 18.252 ( -27.341 -9.990 -6.256) 29.774 19.966 ( 25.163 8.709 2.820) 26.777 20.326 ( 20.627 -9.262 0.914) 22.629 20.377 ( 27.549 -1.144 -8.224) 28.774 20.511 ( 24.544 -6.320 -2.243) 25.444 22.370 ( -3.147 4.620 12.725) 13.899 22.611 ( -3.472 -7.112 6.919) 10.512 23.012 ( -14.144 0.488 -4.225) 14.769 23.096 ( -12.856 -3.990 -4.405) 14.164 ======================= Grid point 168 (64/108) ======================= q-point: ( 0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( 10.256 14.610 0.358) 17.854 2.746 ( 5.341 11.955 1.511) 13.181 2.986 ( 0.504 0.998 -0.997) 1.498 3.123 ( 1.310 -5.650 1.441) 5.976 3.168 ( -2.904 5.468 -5.650) 8.382 3.300 ( 0.161 -0.733 -0.133) 0.762 3.385 ( -0.485 -3.942 -3.090) 5.032 3.616 ( -1.963 -13.705 2.930) 14.152 3.695 ( -0.145 7.320 7.138) 10.226 3.828 ( -7.434 1.300 -0.309) 7.553 3.953 ( -6.965 -4.435 -1.356) 8.368 4.259 ( -8.581 -10.461 -1.208) 13.584 4.389 ( -2.041 3.013 5.565) 6.650 4.659 ( -8.355 -8.493 3.525) 12.424 5.067 ( 5.971 13.239 4.003) 15.065 5.281 ( -2.574 10.981 -8.183) 13.934 5.480 ( -12.264 -7.662 -6.663) 15.922 5.701 ( 7.804 -2.484 -0.457) 8.202 5.771 ( 7.320 9.634 0.820) 12.127 5.947 ( 3.575 1.705 1.156) 4.126 6.575 ( 10.573 7.790 -0.759) 13.155 6.718 ( 8.607 3.821 1.980) 9.623 6.752 ( 7.857 -0.382 -0.677) 7.895 6.911 ( 3.967 0.887 3.347) 5.265 7.160 ( 10.264 1.440 -0.245) 10.368 7.282 ( 4.475 7.312 -1.256) 8.664 7.494 ( 4.226 -3.066 1.188) 5.355 7.608 ( 9.509 -13.804 -1.179) 16.804 8.619 ( -0.995 9.348 4.464) 10.407 8.879 ( -9.056 7.729 -1.323) 11.980 9.020 ( -5.023 -9.683 1.510) 11.012 9.098 ( -6.993 -4.267 0.382) 8.201 10.322 ( 10.547 7.916 7.927) 15.386 10.573 ( 16.777 0.013 5.637) 17.699 10.752 ( 2.790 7.320 13.685) 15.769 10.935 ( 27.962 1.693 -5.039) 28.463 11.103 ( 26.640 -1.500 2.896) 26.838 11.212 ( -3.542 -5.544 12.974) 14.547 12.155 ( 21.921 13.238 -5.019) 26.095 12.378 ( 10.818 5.260 -7.594) 14.225 12.539 ( 5.007 17.448 -1.555) 18.219 12.851 ( 6.528 12.647 -7.990) 16.322 13.042 ( 2.900 47.412 1.124) 47.514 13.053 ( 11.580 27.073 -4.118) 29.732 13.253 ( 4.711 5.291 -10.596) 12.746 13.506 ( 22.281 -2.638 -8.770) 24.090 13.869 ( -7.560 15.318 2.331) 17.240 14.074 ( -2.018 16.465 -5.845) 17.588 14.455 ( -5.640 -3.907 10.094) 12.205 14.590 ( 2.786 -9.655 0.019) 10.049 14.777 ( -0.771 -26.216 -2.812) 26.378 14.971 ( -5.754 -15.246 -5.323) 17.143 15.209 ( -3.286 -7.090 5.281) 9.432 15.479 ( -3.144 -12.092 2.030) 12.658 15.658 ( -5.672 1.197 -3.007) 6.531 15.699 ( -5.206 -2.709 3.062) 6.619 15.972 ( -3.179 -6.487 11.393) 13.490 16.226 ( -2.372 -17.757 4.574) 18.490 16.428 ( -11.396 10.343 -0.276) 15.392 16.744 ( -10.346 -4.260 -0.269) 11.192 17.230 ( -19.272 -0.140 -4.316) 19.749 17.326 ( -17.942 -1.890 -3.426) 18.364 17.468 ( -25.682 -1.957 -2.822) 25.911 17.750 ( -23.177 -10.016 -6.712) 26.126 20.439 ( 23.123 4.177 3.830) 23.808 20.695 ( 17.443 -8.591 2.891) 19.658 20.833 ( 19.012 -2.962 -5.690) 20.065 20.928 ( 17.884 -6.458 -2.176) 19.138 22.295 ( -4.319 5.017 7.674) 10.135 22.523 ( -5.598 -6.107 2.972) 8.801 22.708 ( -16.302 1.236 -2.335) 16.515 22.810 ( -15.773 -3.988 -2.939) 16.532 ======================= Grid point 169 (65/108) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( 3.507 6.142 0.712) 7.109 2.853 ( 7.726 8.445 0.349) 11.451 2.995 ( -0.231 -0.843 4.704) 4.784 3.111 ( -3.234 -2.506 -0.132) 4.093 3.180 ( 2.605 -2.466 1.179) 3.776 3.255 ( -4.184 4.318 4.544) 7.536 3.395 ( 1.180 0.441 -1.442) 1.915 3.513 ( -5.331 -10.180 -0.914) 11.528 3.666 ( -0.146 4.263 2.976) 5.201 3.779 ( 0.620 -1.906 -0.467) 2.058 3.878 ( -2.324 -4.733 -0.660) 5.314 4.032 ( -13.164 -8.573 3.014) 15.996 4.437 ( 6.755 0.350 -0.599) 6.790 4.631 ( 5.510 -9.463 -5.245) 12.142 4.898 ( -13.987 0.658 -9.030) 16.661 5.154 ( -16.088 -9.086 -11.771) 21.907 5.536 ( 15.392 12.562 8.082) 21.448 5.842 ( 6.014 -0.230 4.210) 7.345 5.887 ( 2.745 4.162 4.140) 6.480 5.980 ( -0.844 0.289 4.048) 4.145 6.758 ( 7.338 7.620 -0.083) 10.579 6.821 ( 3.950 3.504 0.330) 5.291 6.900 ( 5.123 2.367 -2.012) 5.992 6.969 ( 1.725 1.897 0.353) 2.588 7.358 ( 9.872 7.518 -0.152) 12.410 7.414 ( 8.642 8.017 -0.547) 11.801 7.554 ( 1.665 0.637 2.669) 3.210 7.728 ( 1.085 -7.497 -0.967) 7.636 8.605 ( 0.119 5.463 0.735) 5.514 8.718 ( -6.298 4.401 -0.367) 7.692 8.904 ( -5.887 -6.892 -2.898) 9.516 8.954 ( -6.948 -7.538 -2.042) 10.453 10.470 ( 5.853 7.792 13.406) 16.574 10.665 ( -3.149 9.636 16.761) 19.588 10.817 ( 4.577 -9.358 11.648) 15.627 11.003 ( -6.368 -6.508 11.010) 14.287 11.592 ( 25.091 4.192 -6.732) 26.315 11.643 ( 27.397 2.528 -3.678) 27.759 12.254 ( -11.242 11.414 -12.910) 20.575 12.402 ( -4.240 6.760 -21.262) 22.710 12.872 ( 17.421 25.643 2.775) 31.125 13.032 ( 11.596 24.059 3.294) 26.910 13.115 ( 5.350 42.444 5.490) 43.130 13.243 ( 4.431 26.017 -7.570) 27.455 13.445 ( 14.657 11.899 -0.221) 18.880 13.864 ( 10.230 8.918 3.641) 14.052 13.941 ( 10.452 1.386 -5.531) 11.906 14.122 ( 15.984 2.201 0.913) 16.161 14.318 ( -6.244 -6.520 -0.558) 9.045 14.670 ( -4.420 -19.806 -3.837) 20.653 14.740 ( -5.664 -2.159 -0.343) 6.072 14.784 ( -3.644 -17.560 -1.650) 18.010 15.083 ( -8.722 -5.942 4.154) 11.342 15.385 ( -5.644 -7.854 -2.170) 9.912 15.458 ( -10.999 -3.932 -4.407) 12.485 15.580 ( -8.919 -2.925 -6.008) 11.145 16.021 ( 6.928 -4.640 12.106) 14.700 16.230 ( 2.224 -14.493 4.538) 15.349 16.297 ( -1.402 1.702 4.567) 5.072 16.561 ( -8.416 -5.773 5.482) 11.585 16.863 ( -15.337 2.981 -4.116) 16.157 16.959 ( -22.976 3.229 -2.874) 23.379 17.152 ( -3.991 -9.227 -5.416) 11.419 17.373 ( -15.169 -12.011 -7.700) 20.824 20.854 ( 18.934 -0.391 3.857) 19.327 21.000 ( 13.443 -7.783 3.481) 15.918 21.110 ( 8.991 -4.031 -1.383) 9.950 21.180 ( 7.025 -6.957 -0.501) 9.899 22.218 ( -2.891 4.977 3.131) 6.552 22.391 ( -9.676 0.259 -1.545) 9.802 22.428 ( -8.922 -2.628 -0.081) 9.302 22.522 ( -12.426 -3.611 -2.176) 13.122 ======================= Grid point 170 (66/108) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.905 ( -3.959 2.787 4.918) 6.902 2.905 ( 3.959 2.787 4.918) 6.902 3.026 ( -5.116 -1.114 -0.974) 5.326 3.026 ( 5.116 -1.114 -0.974) 5.326 3.197 ( -0.756 2.230 5.765) 6.227 3.197 ( 0.756 2.230 5.765) 6.227 3.439 ( -3.388 -4.144 -0.817) 5.415 3.439 ( 3.388 -4.144 -0.817) 5.415 3.751 ( -6.541 -1.491 2.547) 7.176 3.751 ( 6.541 -1.491 2.547) 7.176 3.852 ( -1.502 -3.690 -1.841) 4.389 3.852 ( 1.502 -3.690 -1.841) 4.389 4.626 ( -12.019 -0.535 -6.834) 13.837 4.626 ( 12.019 -0.535 -6.834) 13.837 4.847 ( -14.239 -10.204 -9.708) 20.028 4.847 ( 14.239 -10.204 -9.708) 20.028 5.799 ( -10.167 6.474 7.877) 14.399 5.799 ( 10.167 6.474 7.877) 14.399 5.942 ( -2.910 0.084 4.975) 5.764 5.942 ( 2.910 0.084 4.975) 5.764 6.848 ( -1.808 6.229 -0.255) 6.491 6.848 ( 1.808 6.229 -0.255) 6.491 6.966 ( -2.027 1.837 -2.352) 3.607 6.966 ( 2.027 1.837 -2.352) 3.607 7.502 ( -3.824 6.620 2.120) 7.933 7.502 ( 3.824 6.620 2.120) 7.933 7.634 ( -8.837 2.119 -0.249) 9.091 7.634 ( 8.837 2.119 -0.249) 9.091 8.637 ( -2.831 1.807 0.438) 3.387 8.637 ( 2.831 1.807 0.438) 3.387 8.855 ( -1.941 -7.106 -4.944) 8.872 8.855 ( 1.941 -7.106 -4.944) 8.872 10.576 ( -5.221 7.849 16.628) 19.114 10.576 ( 5.221 7.849 16.628) 19.114 10.898 ( -4.363 -7.809 12.707) 15.540 10.898 ( 4.363 -7.809 12.707) 15.540 11.980 ( -15.184 8.083 -10.207) 20.002 11.980 ( 15.184 8.083 -10.207) 20.002 12.132 ( -19.537 1.493 -12.870) 23.443 12.132 ( 19.537 1.493 -12.870) 23.443 13.082 ( -4.152 43.365 1.158) 43.579 13.082 ( 4.152 43.365 1.158) 43.579 13.244 ( -3.755 28.458 -3.871) 28.965 13.244 ( 3.755 28.458 -3.871) 28.965 13.780 ( -17.223 5.447 9.425) 20.374 13.780 ( 17.223 5.447 9.425) 20.374 14.211 ( -13.998 0.563 -1.637) 14.105 14.211 ( 13.998 0.563 -1.637) 14.104 14.505 ( -3.419 -14.292 -1.245) 14.748 14.505 ( 3.419 -14.292 -1.245) 14.748 14.632 ( -20.179 -11.732 -2.665) 23.493 14.632 ( 20.179 -11.732 -2.665) 23.493 15.148 ( -14.879 -2.003 -2.011) 15.147 15.148 ( 14.879 -2.003 -2.011) 15.147 15.427 ( -5.179 -5.639 -8.323) 11.309 15.427 ( 5.179 -5.639 -8.323) 11.309 16.180 ( -7.450 -4.257 8.292) 11.932 16.180 ( 7.450 -4.257 8.292) 11.932 16.400 ( -9.071 -12.738 9.279) 18.184 16.400 ( 9.071 -12.738 9.279) 18.184 16.694 ( -0.887 8.475 -4.221) 9.510 16.694 ( 0.887 8.475 -4.221) 9.510 17.170 ( -5.666 -12.344 -8.002) 15.764 17.170 ( 5.666 -12.344 -8.002) 15.764 21.135 ( -7.768 -4.066 2.699) 9.174 21.135 ( 7.768 -4.066 2.699) 9.174 21.188 ( -4.778 -6.805 1.859) 8.520 21.188 ( 4.778 -6.805 1.859) 8.520 22.224 ( -4.588 3.935 0.571) 6.071 22.224 ( 4.588 3.935 0.571) 6.071 22.372 ( -2.434 -3.598 -2.606) 5.066 22.372 ( 2.434 -3.598 -2.606) 5.066 ======================= Grid point 176 (67/108) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 0.000 -18.962 5.758) 19.817 2.624 ( 0.000 18.962 5.758) 19.817 2.822 ( 0.000 -15.570 7.970) 17.492 2.822 ( 0.000 15.570 7.970) 17.492 3.209 ( 0.000 -1.423 -6.169) 6.331 3.209 ( 0.000 1.423 -6.169) 6.331 3.539 ( 0.000 -1.843 5.228) 5.543 3.539 ( 0.000 1.843 5.228) 5.543 4.093 ( 0.000 -18.609 -11.314) 21.778 4.093 ( 0.000 18.609 -11.314) 21.778 4.268 ( 0.000 -0.705 -4.936) 4.986 4.268 ( 0.000 0.705 -4.936) 4.986 5.003 ( 0.000 -7.582 6.112) 9.738 5.003 ( 0.000 7.582 6.112) 9.738 5.085 ( 0.000 -32.941 -0.846) 32.952 5.085 ( 0.000 32.941 -0.846) 32.952 5.772 ( 0.000 -8.229 1.906) 8.447 5.772 ( 0.000 8.229 1.906) 8.447 5.963 ( 0.000 -8.155 -6.976) 10.731 5.963 ( 0.000 8.155 -6.976) 10.731 6.201 ( 0.000 -0.227 5.549) 5.553 6.201 ( 0.000 0.227 5.549) 5.553 6.513 ( 0.000 -5.943 -2.537) 6.462 6.513 ( 0.000 5.943 -2.537) 6.462 6.842 ( 0.000 -18.864 5.877) 19.758 6.842 ( 0.000 18.864 5.877) 19.758 7.218 ( 0.000 -1.943 -2.387) 3.078 7.218 ( 0.000 1.943 -2.387) 3.078 8.887 ( 0.000 -6.324 6.340) 8.955 8.887 ( 0.000 6.324 6.340) 8.955 8.904 ( 0.000 -12.807 11.599) 17.279 8.904 ( 0.000 12.807 11.599) 17.279 9.382 ( 0.000 -7.151 -1.207) 7.252 9.382 ( 0.000 7.151 -1.207) 7.252 9.899 ( 0.000 -10.140 -8.271) 13.085 9.899 ( 0.000 10.140 -8.271) 13.085 11.264 ( 0.000 -15.026 14.068) 20.584 11.264 ( 0.000 15.026 14.068) 20.584 11.783 ( 0.000 -4.166 5.651) 7.020 11.783 ( 0.000 4.166 5.651) 7.020 12.574 ( 0.000 -1.566 -6.420) 6.609 12.574 ( 0.000 1.566 -6.420) 6.609 13.127 ( 0.000 -12.193 -23.573) 26.540 13.127 ( 0.000 12.193 -23.573) 26.540 13.781 ( 0.000 -47.739 0.693) 47.744 13.781 ( 0.000 47.739 0.693) 47.744 13.943 ( 0.000 -48.995 -2.138) 49.042 13.943 ( 0.000 48.995 -2.138) 49.042 14.442 ( 0.000 -12.277 1.188) 12.334 14.442 ( 0.000 12.277 1.188) 12.334 14.574 ( 0.000 -21.057 -5.942) 21.880 14.574 ( 0.000 21.057 -5.942) 21.880 15.248 ( 0.000 -12.416 17.697) 21.618 15.248 ( 0.000 12.416 17.697) 21.618 15.879 ( 0.000 -7.509 -6.622) 10.012 15.879 ( 0.000 7.509 -6.622) 10.012 16.312 ( 0.000 -3.325 14.699) 15.071 16.312 ( 0.000 3.325 14.699) 15.071 17.070 ( 0.000 -7.829 -1.761) 8.025 17.070 ( 0.000 7.829 -1.761) 8.025 18.752 ( 0.000 -3.564 -9.144) 9.814 18.752 ( 0.000 3.564 -9.144) 9.814 18.910 ( 0.000 -3.963 -11.636) 12.292 18.910 ( 0.000 3.963 -11.636) 12.292 19.362 ( 0.000 -7.135 2.522) 7.568 19.362 ( 0.000 7.135 2.522) 7.568 19.438 ( 0.000 -2.817 0.333) 2.837 19.438 ( 0.000 2.817 0.333) 2.837 22.534 ( 0.000 -6.694 13.749) 15.292 22.534 ( 0.000 6.694 13.749) 15.292 23.318 ( 0.000 -0.794 -6.140) 6.191 23.318 ( 0.000 0.794 -6.140) 6.191 ======================= Grid point 178 (68/108) ======================= q-point: ( 0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 4.751 -18.242 4.038) 19.278 2.671 ( 4.751 18.242 4.038) 19.278 2.862 ( 3.255 -13.414 6.104) 15.092 2.862 ( 3.255 13.414 6.104) 15.092 3.223 ( 1.496 -1.813 -4.645) 5.206 3.223 ( 1.496 1.813 -4.645) 5.206 3.514 ( -2.530 -2.164 4.093) 5.276 3.514 ( -2.530 2.164 4.093) 5.276 4.034 ( -5.542 -17.691 -9.830) 20.984 4.034 ( -5.542 17.691 -9.830) 20.984 4.253 ( -1.968 -3.574 -4.071) 5.763 4.253 ( -1.968 3.574 -4.071) 5.763 4.914 ( -8.557 -12.484 8.182) 17.205 4.914 ( -8.557 12.484 8.182) 17.205 5.144 ( 5.358 -27.274 1.304) 27.825 5.144 ( 5.358 27.274 1.304) 27.825 5.692 ( -4.778 -8.245 -0.616) 9.549 5.692 ( -4.778 8.245 -0.616) 9.549 5.938 ( -4.482 -12.051 -7.675) 14.974 5.938 ( -4.482 12.051 -7.675) 14.974 6.302 ( 9.555 -4.652 3.882) 11.314 6.302 ( 9.555 4.652 3.882) 11.314 6.545 ( 3.697 -9.700 -1.802) 10.536 6.545 ( 3.697 9.700 -1.802) 10.536 6.910 ( 6.699 -17.157 5.479) 19.216 6.910 ( 6.699 17.157 5.479) 19.216 7.246 ( 2.776 -3.130 -2.029) 4.650 7.246 ( 2.776 3.130 -2.029) 4.650 8.886 ( -1.100 -12.419 9.998) 15.981 8.886 ( -1.100 12.419 9.998) 15.981 9.019 ( 10.124 -4.487 5.215) 12.240 9.019 ( 10.124 4.487 5.215) 12.240 9.625 ( 22.519 -7.155 -0.349) 23.631 9.625 ( 22.519 7.155 -0.349) 23.631 9.972 ( 9.345 -9.706 -7.000) 15.183 9.972 ( 9.345 9.706 -7.000) 15.183 11.232 ( -3.239 -14.435 14.232) 20.529 11.232 ( -3.239 14.435 14.232) 20.529 11.799 ( 2.559 -3.745 5.990) 7.513 11.799 ( 2.559 3.745 5.990) 7.513 12.647 ( 7.198 -5.239 -8.228) 12.122 12.647 ( 7.198 5.239 -8.228) 12.122 13.095 ( -3.152 -12.562 -21.592) 25.178 13.095 ( -3.152 12.562 -21.592) 25.178 13.785 ( 0.390 -41.257 1.194) 41.276 13.785 ( 0.390 41.257 1.194) 41.276 13.964 ( 2.203 -43.623 -2.390) 43.744 13.964 ( 2.203 43.623 -2.390) 43.744 14.424 ( -2.175 -12.468 1.947) 12.805 14.424 ( -2.175 12.468 1.947) 12.805 14.594 ( 2.177 -20.993 -6.960) 22.224 14.594 ( 2.177 20.993 -6.960) 22.224 15.260 ( 1.089 -11.518 16.862) 20.449 15.260 ( 1.089 11.518 16.862) 20.449 15.858 ( -2.151 -6.250 -6.401) 9.202 15.858 ( -2.151 6.250 -6.401) 9.202 16.242 ( -6.716 -1.542 14.316) 15.888 16.242 ( -6.716 1.542 14.316) 15.888 17.006 ( -6.369 -7.748 -2.065) 10.240 17.006 ( -6.369 7.748 -2.065) 10.240 18.306 ( -31.554 -9.203 -5.255) 33.286 18.306 ( -31.554 9.203 -5.255) 33.286 18.562 ( -24.957 -11.441 -7.966) 28.587 18.562 ( -24.957 11.441 -7.966) 28.587 19.698 ( 23.200 -11.008 0.614) 25.687 19.698 ( 23.200 11.008 0.614) 25.687 19.861 ( 29.637 -5.931 -3.704) 30.451 19.861 ( 29.637 5.931 -3.704) 30.451 22.521 ( -1.359 -6.687 12.560) 14.294 22.521 ( -1.359 6.687 12.560) 14.294 23.244 ( -7.476 -1.371 -5.688) 9.493 23.244 ( -7.476 1.371 -5.688) 9.493 ======================= Grid point 180 (69/108) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 7.681 -15.361 1.035) 17.206 2.798 ( 7.681 15.361 1.035) 17.206 2.915 ( 1.780 -8.386 1.942) 8.790 2.915 ( 1.780 8.386 1.942) 8.790 3.269 ( 3.058 -5.758 -1.468) 6.683 3.269 ( 3.058 5.758 -1.468) 6.683 3.442 ( -4.745 -5.743 0.257) 7.454 3.442 ( -4.745 5.743 0.257) 7.454 3.909 ( -6.222 -12.831 -4.814) 15.051 3.909 ( -6.222 12.831 -4.814) 15.051 4.176 ( -6.163 -8.379 -0.526) 10.415 4.176 ( -6.163 8.379 -0.526) 10.415 4.695 ( -12.455 -11.495 9.512) 19.436 4.695 ( -12.455 11.495 9.512) 19.436 5.282 ( 8.114 -22.042 4.498) 23.914 5.282 ( 8.114 22.042 4.498) 23.914 5.590 ( -7.572 -4.342 -9.614) 12.985 5.590 ( -7.572 4.342 -9.614) 12.985 5.863 ( -0.342 -7.572 -2.284) 7.916 5.863 ( -0.342 7.572 -2.284) 7.916 6.510 ( 10.828 -5.389 0.491) 12.105 6.510 ( 10.828 5.389 0.491) 12.105 6.663 ( 8.048 -10.594 -0.245) 13.306 6.663 ( 8.048 10.594 -0.245) 13.306 7.087 ( 11.095 -14.974 3.653) 18.991 7.087 ( 11.095 14.974 3.653) 18.991 7.319 ( 4.495 -5.108 -1.323) 6.932 7.319 ( 4.495 5.108 -1.323) 6.932 8.860 ( -1.784 -12.051 7.347) 14.227 8.860 ( -1.784 12.051 7.347) 14.227 9.128 ( -0.985 -3.628 1.220) 3.952 9.128 ( -0.985 3.628 1.220) 3.952 10.116 ( 24.059 -4.005 1.681) 24.448 10.116 ( 24.059 4.005 1.681) 24.448 10.351 ( 29.262 -5.770 -3.291) 30.006 10.351 ( 29.262 5.770 -3.291) 30.006 11.144 ( -5.426 -12.706 14.989) 20.385 11.144 ( -5.426 12.706 14.989) 20.385 11.945 ( 14.175 -5.286 4.770) 15.863 11.945 ( 14.175 5.286 4.770) 15.863 12.816 ( 6.666 -3.987 -15.545) 17.378 12.816 ( 6.666 3.987 -15.545) 17.378 13.040 ( 1.106 -7.561 -12.789) 14.898 13.040 ( 1.106 7.561 -12.789) 14.898 13.795 ( 0.719 -29.135 2.675) 29.266 13.795 ( 0.719 29.135 2.675) 29.266 14.023 ( 3.438 -35.309 -2.728) 35.580 14.023 ( 3.438 35.309 -2.728) 35.580 14.352 ( -5.115 -14.184 3.396) 15.455 14.352 ( -5.115 14.184 3.396) 15.455 14.654 ( 3.663 -20.062 -9.819) 22.635 14.654 ( 3.663 20.062 -9.819) 22.635 15.277 ( 0.049 -9.813 14.483) 17.494 15.277 ( 0.049 9.813 14.483) 17.494 15.795 ( -4.403 -2.647 -4.272) 6.681 15.795 ( -4.403 2.647 -4.272) 6.681 16.084 ( -8.364 -3.870 12.334) 15.397 16.084 ( -8.364 3.870 12.334) 15.397 16.835 ( -10.701 -7.955 -2.470) 13.561 16.835 ( -10.701 7.955 -2.470) 13.561 17.718 ( -27.453 -6.812 -2.483) 28.394 17.718 ( -27.453 6.812 -2.483) 28.394 18.059 ( -26.160 -9.566 -7.237) 28.779 18.059 ( -26.160 9.566 -7.237) 28.779 20.143 ( 21.980 -9.669 1.879) 24.086 20.143 ( 21.980 9.669 1.879) 24.086 20.408 ( 25.501 -3.975 -4.563) 26.210 20.408 ( 25.501 3.975 -4.563) 26.210 22.479 ( -3.035 -6.585 9.380) 11.856 22.479 ( -3.035 6.585 9.380) 11.856 23.037 ( -13.352 -2.198 -4.463) 14.249 23.037 ( -13.352 2.198 -4.463) 14.249 ======================= Grid point 182 (70/108) ======================= q-point: ( 0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.928 ( 2.161 -5.496 -0.115) 5.907 2.928 ( 2.161 5.496 -0.115) 5.907 2.940 ( 3.732 -10.109 0.619) 10.794 2.940 ( 3.732 10.109 0.619) 10.794 3.301 ( -2.286 -2.592 0.510) 3.494 3.301 ( -2.286 2.592 0.510) 3.494 3.373 ( 0.549 -7.382 -3.084) 8.019 3.373 ( 0.549 7.381 -3.084) 8.019 3.816 ( -3.564 -4.723 0.009) 5.917 3.816 ( -3.564 4.723 0.009) 5.917 4.015 ( -9.526 -11.996 4.236) 15.893 4.015 ( -9.526 11.996 4.236) 15.893 4.499 ( -6.113 -7.523 3.974) 10.476 4.499 ( -6.113 7.523 3.974) 10.476 5.284 ( -12.376 -10.580 -7.673) 17.999 5.284 ( -12.376 10.580 -7.673) 17.999 5.550 ( 8.526 -12.270 -0.039) 14.941 5.550 ( 8.526 12.270 -0.039) 14.941 5.916 ( 3.811 -4.967 2.772) 6.847 5.916 ( 3.811 4.967 2.772) 6.847 6.707 ( 9.165 -3.987 -1.100) 10.055 6.707 ( 9.165 3.987 -1.100) 10.055 6.825 ( 7.682 -7.174 0.623) 10.530 6.825 ( 7.682 7.174 0.623) 10.530 7.324 ( 12.602 -12.942 1.171) 18.102 7.324 ( 12.602 12.942 1.171) 18.102 7.417 ( 5.550 -5.326 -0.377) 7.701 7.417 ( 5.550 5.326 -0.377) 7.701 8.811 ( -3.243 -10.620 3.428) 11.621 8.811 ( -3.243 10.620 3.428) 11.621 9.012 ( -9.189 -5.274 -0.839) 10.629 9.012 ( -9.189 5.274 -0.839) 10.629 10.473 ( 12.188 -7.588 7.569) 16.230 10.473 ( 12.188 7.588 7.569) 16.230 10.912 ( 11.764 -5.666 1.823) 13.184 10.912 ( 11.764 5.666 1.823) 13.184 11.110 ( 15.696 -3.431 10.359) 19.117 11.110 ( 15.696 3.431 10.359) 19.117 12.347 ( 22.260 -6.653 -6.140) 24.031 12.347 ( 22.260 6.653 -6.140) 24.031 12.795 ( -1.549 -10.492 -8.792) 13.776 12.795 ( -1.549 10.492 -8.792) 13.776 13.285 ( 20.199 -9.435 -9.508) 24.237 13.285 ( 20.199 9.435 -9.508) 24.237 13.821 ( 2.220 -21.829 4.955) 22.495 13.821 ( 2.220 21.829 4.955) 22.495 14.073 ( 0.782 -31.326 -2.130) 31.408 14.073 ( 0.782 31.326 -2.130) 31.408 14.234 ( -6.675 -15.024 4.231) 16.976 14.234 ( -6.675 15.024 4.231) 16.976 14.723 ( 2.961 -15.720 -13.574) 20.979 14.723 ( 2.961 15.720 -13.574) 20.979 15.233 ( -4.891 -10.173 9.858) 14.986 15.233 ( -4.891 10.173 9.858) 14.986 15.681 ( -7.624 -1.781 0.721) 7.862 15.681 ( -7.624 1.781 0.721) 7.862 15.969 ( -2.149 -7.655 8.501) 11.639 15.969 ( -2.149 7.655 8.501) 11.639 16.616 ( -11.077 -8.803 -0.750) 14.168 16.616 ( -11.077 8.803 -0.750) 14.168 17.260 ( -19.329 -3.327 -2.263) 19.743 17.260 ( -19.329 3.327 -2.263) 19.743 17.558 ( -24.727 -9.126 -6.548) 27.158 17.558 ( -24.727 9.126 -6.548) 27.158 20.546 ( 19.293 -6.883 3.212) 20.735 20.546 ( 19.293 6.883 3.212) 20.735 20.835 ( 17.982 -2.879 -3.248) 18.499 20.835 ( 17.982 2.879 -3.248) 18.499 22.404 ( -4.555 -6.171 5.160) 9.245 22.404 ( -4.555 6.171 5.160) 9.245 22.746 ( -15.824 -2.723 -2.892) 16.315 22.746 ( -15.824 2.723 -2.892) 16.315 ======================= Grid point 184 (71/108) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( 0.908 -4.850 1.126) 5.061 2.942 ( 0.908 4.850 1.126) 5.061 2.991 ( 0.124 -7.010 1.393) 7.148 2.991 ( 0.124 7.010 1.393) 7.148 3.256 ( -0.137 -6.577 0.692) 6.614 3.256 ( -0.137 6.577 0.692) 6.614 3.389 ( -1.717 -1.265 4.260) 4.764 3.389 ( -1.717 1.265 4.260) 4.764 3.756 ( -1.740 -3.218 -1.575) 3.983 3.756 ( -1.740 3.218 -1.575) 3.983 3.863 ( -5.422 -6.462 2.148) 8.705 3.863 ( -5.422 6.462 2.148) 8.705 4.490 ( 5.336 -5.154 -2.769) 7.919 4.490 ( 5.336 5.154 -2.769) 7.919 4.987 ( -16.298 -7.625 -11.821) 21.529 4.987 ( -16.298 7.625 -11.821) 21.529 5.747 ( 9.867 -8.709 5.733) 14.356 5.747 ( 9.867 8.709 5.733) 14.356 5.960 ( -0.014 -2.541 5.627) 6.174 5.960 ( -0.014 2.541 5.627) 6.174 6.859 ( 6.317 -0.776 -2.047) 6.686 6.859 ( 6.317 0.776 -2.047) 6.686 6.935 ( 3.197 -3.356 -0.348) 4.648 6.935 ( 3.197 3.356 -0.348) 4.648 7.526 ( 6.533 -2.591 0.908) 7.087 7.526 ( 6.533 2.591 0.908) 7.087 7.546 ( 7.743 -9.572 0.968) 12.349 7.546 ( 7.743 9.572 0.968) 12.349 8.740 ( -3.417 -8.129 -0.942) 8.868 8.740 ( -3.417 8.129 -0.942) 8.868 8.828 ( -8.402 -5.781 -1.651) 10.332 8.828 ( -8.402 5.781 -1.651) 10.332 10.633 ( 5.751 -9.100 12.519) 16.511 10.633 ( 5.751 9.100 12.519) 16.511 10.853 ( -6.207 -9.046 14.373) 18.081 10.853 ( -6.207 9.046 14.373) 18.081 11.646 ( 26.927 -1.613 -5.707) 27.572 11.646 ( 26.927 1.613 -5.707) 27.572 12.402 ( -11.790 -4.610 -18.909) 22.755 12.402 ( -11.790 4.610 -18.909) 22.755 13.137 ( 29.406 -3.426 6.482) 30.306 13.137 ( 29.406 3.426 6.482) 30.306 13.674 ( 13.980 -4.205 -6.894) 16.145 13.674 ( 13.980 4.205 -6.894) 16.145 13.908 ( 6.263 -17.335 4.535) 18.981 13.908 ( 6.263 17.335 4.535) 18.981 14.027 ( -5.478 -31.756 -0.083) 32.225 14.027 ( -5.478 31.756 -0.083) 32.225 14.129 ( 0.131 -11.954 3.234) 12.384 14.129 ( 0.131 11.954 3.234) 12.384 14.721 ( -6.204 -4.899 -9.612) 12.445 14.721 ( -6.204 4.899 -9.612) 12.445 15.134 ( -1.651 -14.082 -0.979) 14.212 15.134 ( -1.651 14.082 -0.979) 14.212 15.488 ( -12.055 -5.898 -2.313) 13.618 15.488 ( -12.055 5.898 -2.313) 13.618 16.017 ( 6.727 -5.948 10.022) 13.456 16.017 ( 6.727 5.948 10.022) 13.456 16.415 ( -9.993 -8.195 5.577) 14.076 16.415 ( -9.993 8.195 5.577) 14.076 16.974 ( -9.518 -7.907 -5.121) 13.391 16.974 ( -9.518 7.907 -5.121) 13.391 17.133 ( -17.592 -12.085 -6.136) 22.208 17.133 ( -17.592 12.085 -6.136) 22.208 20.887 ( 15.330 -3.924 3.645) 16.238 20.887 ( 15.330 3.924 3.645) 16.238 21.092 ( 7.712 -2.059 -0.513) 7.998 21.092 ( 7.712 2.059 -0.513) 7.998 22.316 ( -3.763 -5.182 1.094) 6.497 22.316 ( -3.763 5.182 1.094) 6.497 22.458 ( -12.517 -3.004 -1.692) 12.983 22.458 ( -12.517 3.004 -1.692) 12.983 ======================= Grid point 186 (72/108) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.969 ( -1.378 -3.708 1.816) 4.353 2.969 ( 1.045 -3.681 1.816) 4.236 2.969 ( -1.045 3.681 1.816) 4.236 2.969 ( 1.378 3.708 1.816) 4.353 3.307 ( -3.737 -7.731 5.236) 10.057 3.307 ( 1.984 -7.567 5.236) 9.413 3.307 ( -1.984 7.567 5.236) 9.413 3.307 ( 3.737 7.731 5.236) 10.057 3.780 ( -3.147 -3.388 -1.633) 4.904 3.780 ( 1.828 -3.137 -1.633) 3.981 3.780 ( -1.828 3.137 -1.633) 3.981 3.780 ( 3.147 3.388 -1.633) 4.904 4.686 ( -13.628 -6.232 -8.898) 17.428 4.686 ( -5.971 1.145 -8.898) 10.777 4.686 ( 5.971 -1.145 -8.898) 10.777 4.686 ( 13.628 6.232 -8.898) 17.428 5.903 ( -5.725 -4.052 6.766) 9.745 5.903 ( 4.773 -3.731 6.766) 9.082 5.903 ( -4.773 3.731 6.766) 9.082 5.903 ( 5.725 4.052 6.766) 9.745 6.944 ( -1.317 -3.447 -1.844) 4.125 6.944 ( 0.206 -3.385 -1.844) 3.861 6.944 ( -0.206 3.385 -1.844) 3.861 6.944 ( 1.317 3.447 -1.844) 4.125 7.613 ( -1.335 -4.147 1.763) 4.700 7.613 ( 1.335 -4.147 1.763) 4.700 7.613 ( -1.335 4.147 1.763) 4.700 7.613 ( 1.335 4.147 1.763) 4.700 8.720 ( -2.022 -6.412 -2.672) 7.235 8.720 ( 1.845 -6.398 -2.672) 7.175 8.720 ( -1.845 6.398 -2.672) 7.175 8.720 ( 2.022 6.412 -2.672) 7.235 10.737 ( -5.471 -8.742 14.822) 18.057 10.737 ( 5.461 -8.741 14.822) 18.053 10.737 ( -5.461 8.741 14.822) 18.053 10.737 ( 5.472 8.742 14.822) 18.057 12.093 ( -19.204 -4.162 -12.450) 23.261 12.093 ( -18.811 3.687 -12.450) 22.858 12.093 ( 18.811 -3.687 -12.450) 22.858 12.093 ( 19.204 4.162 -12.450) 23.261 13.640 ( -18.348 -6.572 3.072) 19.731 13.640 ( -15.364 4.248 3.072) 16.234 13.640 ( 15.364 -4.248 3.072) 16.234 13.640 ( 18.348 6.572 3.072) 19.731 13.924 ( -2.731 -27.950 1.294) 28.113 13.924 ( 2.627 -27.947 1.294) 28.100 13.924 ( -2.627 27.947 1.294) 28.100 13.924 ( 2.731 27.950 1.294) 28.113 14.429 ( -21.071 -10.092 -1.798) 23.432 14.429 ( -20.927 10.017 -1.798) 23.271 14.429 ( 20.927 -10.017 -1.798) 23.271 14.429 ( 21.071 10.092 -1.798) 23.432 15.246 ( -11.188 -10.553 -8.133) 17.398 15.246 ( 10.938 -10.487 -8.133) 17.197 15.246 ( -10.938 10.487 -8.133) 17.197 15.246 ( 11.188 10.553 -8.133) 17.398 16.204 ( -10.920 -6.469 10.906) 16.734 16.204 ( 0.411 -3.475 10.906) 11.454 16.204 ( -0.411 3.475 10.906) 11.454 16.204 ( 10.920 6.469 10.906) 16.734 16.917 ( -3.607 -13.423 -6.706) 15.433 16.917 ( 3.245 -13.400 -6.706) 15.332 16.917 ( -3.245 13.400 -6.706) 15.332 16.917 ( 3.607 13.423 -6.706) 15.433 21.108 ( -6.071 -1.395 2.450) 6.693 21.108 ( -5.902 1.200 2.450) 6.502 21.108 ( 5.902 -1.200 2.450) 6.502 21.108 ( 6.071 1.395 2.450) 6.693 22.300 ( -3.215 -3.930 -1.111) 5.198 22.300 ( 3.066 -3.901 -1.111) 5.084 22.300 ( -3.066 3.901 -1.111) 5.084 22.300 ( 3.215 3.930 -1.111) 5.198 ======================= Grid point 242 (73/108) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 0.000 0.000 27.449) 27.449 1.463 ( 0.000 0.000 34.686) 34.686 1.638 ( 0.000 0.000 -23.396) 23.396 2.119 ( 0.000 0.000 -31.194) 31.194 2.456 ( 0.000 0.000 54.281) 54.281 3.414 ( 0.000 0.000 -9.335) 9.335 3.461 ( 0.000 0.000 0.037) 0.037 3.516 ( 0.000 0.000 -35.712) 35.712 3.729 ( 0.000 0.000 14.495) 14.495 3.792 ( 0.000 0.000 3.814) 3.814 3.829 ( 0.000 0.000 8.501) 8.501 3.841 ( 0.000 0.000 -0.331) 0.331 3.955 ( 0.000 0.000 -5.228) 5.228 4.020 ( 0.000 0.000 -15.231) 15.231 4.357 ( 0.000 0.000 2.484) 2.484 4.424 ( 0.000 0.000 -4.122) 4.122 4.460 ( 0.000 0.000 20.824) 20.824 4.927 ( 0.000 0.000 -25.485) 25.485 5.729 ( 0.000 0.000 5.102) 5.102 5.847 ( 0.000 0.000 -6.364) 6.364 6.923 ( 0.000 0.000 13.553) 13.553 7.021 ( 0.000 0.000 19.142) 19.142 7.060 ( 0.000 0.000 -2.233) 2.233 7.192 ( 0.000 0.000 2.029) 2.029 7.226 ( 0.000 0.000 -1.455) 1.455 7.385 ( 0.000 0.000 -15.968) 15.968 7.586 ( 0.000 0.000 4.509) 4.509 7.627 ( 0.000 0.000 8.778) 8.778 7.705 ( 0.000 0.000 -6.597) 6.597 7.801 ( 0.000 0.000 -8.199) 8.199 8.721 ( 0.000 0.000 6.502) 6.502 8.876 ( 0.000 0.000 -8.818) 8.818 9.272 ( 0.000 0.000 7.878) 7.878 9.413 ( 0.000 0.000 -5.869) 5.869 9.920 ( 0.000 0.000 8.164) 8.164 10.071 ( 0.000 0.000 -6.827) 6.827 10.077 ( 0.000 0.000 8.822) 8.822 10.233 ( 0.000 0.000 -6.488) 6.488 11.184 ( 0.000 0.000 2.442) 2.442 11.230 ( 0.000 0.000 -2.120) 2.120 11.577 ( 0.000 0.000 7.521) 7.521 11.736 ( 0.000 0.000 -7.622) 7.622 12.091 ( 0.000 0.000 13.388) 13.388 12.359 ( 0.000 0.000 17.157) 17.157 12.395 ( 0.000 0.000 -16.449) 16.449 12.746 ( 0.000 0.000 -21.084) 21.084 14.036 ( 0.000 0.000 2.943) 2.943 14.098 ( 0.000 0.000 -3.092) 3.092 14.800 ( 0.000 0.000 13.705) 13.705 15.033 ( 0.000 0.000 -9.574) 9.574 15.176 ( 0.000 0.000 -1.921) 1.921 15.183 ( 0.000 0.000 -2.419) 2.419 16.089 ( 0.000 0.000 4.647) 4.647 16.116 ( 0.000 0.000 5.146) 5.146 16.200 ( 0.000 0.000 -1.685) 1.685 16.245 ( 0.000 0.000 -2.454) 2.454 16.670 ( 0.000 0.000 1.735) 1.735 16.704 ( 0.000 0.000 -1.570) 1.570 17.581 ( 0.000 0.000 15.484) 15.484 17.925 ( 0.000 0.000 7.491) 7.491 17.950 ( 0.000 0.000 -20.045) 20.045 17.976 ( 0.000 0.000 5.224) 5.224 18.081 ( 0.000 0.000 -7.963) 7.963 18.090 ( 0.000 0.000 -5.849) 5.849 19.696 ( 0.000 0.000 3.768) 3.768 19.769 ( 0.000 0.000 -3.325) 3.325 19.831 ( 0.000 0.000 3.040) 3.040 19.862 ( 0.000 0.000 -0.205) 0.205 23.146 ( 0.000 0.000 6.035) 6.035 23.261 ( 0.000 0.000 -5.192) 5.192 23.763 ( 0.000 0.000 1.229) 1.229 23.788 ( 0.000 0.000 -1.207) 1.207 ======================= Grid point 243 (74/108) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 15.306 0.000 23.669) 28.187 1.497 ( 6.078 0.000 26.060) 26.760 1.795 ( 13.833 0.000 -18.809) 23.348 2.136 ( 2.290 0.000 -29.059) 29.149 2.731 ( 25.791 0.000 48.164) 54.634 3.531 ( 6.435 0.000 0.814) 6.487 3.549 ( 6.250 0.000 1.340) 6.392 3.649 ( 13.397 0.000 -39.024) 41.260 3.768 ( -0.408 0.000 2.981) 3.008 3.801 ( -1.933 0.000 1.477) 2.433 3.821 ( 1.482 0.000 5.688) 5.878 3.849 ( 10.585 0.000 5.749) 12.046 3.955 ( 2.068 0.000 -0.333) 2.095 4.140 ( 11.299 0.000 -14.140) 18.100 4.295 ( -2.819 0.000 0.006) 2.819 4.317 ( -7.401 0.000 -2.967) 7.974 4.641 ( 14.101 0.000 20.978) 25.277 5.078 ( 12.250 0.000 -22.350) 25.487 5.664 ( -6.059 0.000 5.026) 7.872 5.782 ( -6.316 0.000 -6.249) 8.885 6.896 ( -3.103 0.000 16.295) 16.588 6.959 ( -5.852 0.000 12.858) 14.127 7.056 ( -4.010 0.000 -1.867) 4.423 7.134 ( -3.269 0.000 -2.578) 4.163 7.228 ( -1.028 0.000 0.979) 1.420 7.358 ( -3.546 0.000 -11.937) 12.452 7.622 ( 7.632 0.000 4.460) 8.840 7.717 ( 2.712 0.000 -4.123) 4.934 7.765 ( 9.012 0.000 3.616) 9.711 7.851 ( 4.869 0.000 -5.677) 7.479 8.937 ( 20.996 0.000 3.812) 21.339 9.039 ( 16.978 0.000 -6.196) 18.074 9.356 ( 6.705 0.000 7.095) 9.762 9.470 ( 3.927 0.000 -3.298) 5.128 9.905 ( -1.058 0.000 7.073) 7.151 10.033 ( -3.284 0.000 -2.676) 4.237 10.103 ( 3.591 0.000 6.234) 7.194 10.276 ( 5.247 0.000 -7.682) 9.303 11.176 ( -4.306 0.000 3.262) 5.402 11.201 ( 1.921 0.000 0.238) 1.935 11.605 ( 2.302 0.000 6.408) 6.809 11.731 ( -0.523 0.000 -6.314) 6.336 12.028 ( -5.574 0.000 16.118) 17.055 12.353 ( -3.747 0.000 -15.716) 16.157 12.362 ( 0.350 0.000 17.616) 17.619 12.772 ( 2.473 0.000 -23.000) 23.133 14.053 ( 2.203 0.000 2.332) 3.208 14.125 ( 2.575 0.000 -4.212) 4.937 14.772 ( -2.511 0.000 13.820) 14.047 15.003 ( -2.274 0.000 -9.248) 9.524 15.128 ( -5.030 0.000 0.410) 5.046 15.176 ( -1.798 0.000 -3.736) 4.146 16.051 ( -5.171 0.000 6.312) 8.160 16.105 ( 0.395 0.000 3.039) 3.064 16.174 ( -5.146 0.000 -0.431) 5.164 16.214 ( 1.923 0.000 -3.059) 3.613 16.574 ( -9.650 0.000 2.054) 9.866 16.621 ( -8.412 0.000 -2.706) 8.837 17.313 ( -21.392 0.000 3.617) 21.695 17.375 ( -21.575 0.000 -1.740) 21.645 17.535 ( -6.092 0.000 13.445) 14.761 17.867 ( -8.123 0.000 -19.052) 20.711 18.787 ( 33.770 0.000 11.469) 35.665 19.019 ( 0.586 0.000 -7.620) 7.642 19.319 ( -15.205 0.000 -1.788) 15.310 19.351 ( 26.344 0.000 -11.007) 28.551 20.331 ( 25.077 0.000 0.534) 25.083 20.331 ( 27.321 0.000 0.533) 27.326 23.088 ( -6.129 0.000 5.234) 8.060 23.187 ( -7.639 0.000 -4.439) 8.835 23.601 ( -16.527 0.000 4.982) 17.262 23.645 ( -11.363 0.000 -0.507) 11.374 ======================= Grid point 244 (75/108) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 21.509 0.000 15.871) 26.730 1.716 ( 15.489 0.000 13.411) 20.488 2.133 ( 20.231 0.000 -14.704) 25.010 2.232 ( 8.060 0.000 -20.355) 21.893 3.344 ( 33.767 0.000 33.977) 47.902 3.495 ( -8.103 0.000 2.941) 8.620 3.567 ( -5.155 0.000 -3.353) 6.150 3.743 ( -0.406 0.000 5.532) 5.547 3.835 ( 6.763 0.000 1.867) 7.016 3.903 ( -0.929 0.000 -1.492) 1.758 3.905 ( 3.071 0.000 -1.206) 3.299 3.979 ( 10.456 0.000 -16.892) 19.867 4.227 ( 7.843 0.000 2.929) 8.372 4.321 ( 15.084 0.000 -10.688) 18.487 4.343 ( 20.097 0.000 2.040) 20.200 4.466 ( 22.134 0.000 -11.357) 24.878 4.955 ( 17.390 0.000 20.540) 26.913 5.293 ( 6.053 0.000 -9.032) 10.873 5.558 ( -0.851 0.000 -3.231) 3.341 5.626 ( -8.885 0.000 -5.569) 10.486 6.780 ( -9.521 0.000 12.043) 15.352 6.837 ( -5.375 0.000 8.542) 10.092 6.863 ( -13.312 0.000 -1.480) 13.394 7.081 ( -4.563 0.000 -9.822) 10.830 7.168 ( -4.943 0.000 2.503) 5.541 7.235 ( -8.904 0.000 -4.932) 10.179 7.767 ( 0.997 0.000 5.244) 5.338 7.831 ( 8.937 0.000 -0.346) 8.943 7.920 ( 9.021 0.000 2.144) 9.272 8.026 ( 12.892 0.000 -7.878) 15.109 9.391 ( 3.063 0.000 4.680) 5.593 9.440 ( 19.757 0.000 0.523) 19.764 9.510 ( 7.497 0.000 1.478) 7.641 9.554 ( 25.488 0.000 -3.014) 25.665 9.902 ( 1.298 0.000 4.357) 4.546 9.968 ( -2.605 0.000 0.377) 2.632 10.263 ( 12.922 0.000 8.912) 15.697 10.481 ( 16.560 0.000 -10.061) 19.377 11.105 ( -2.564 0.000 10.159) 10.478 11.266 ( 4.917 0.000 -6.073) 7.814 11.637 ( -0.061 0.000 4.234) 4.235 11.714 ( -1.384 0.000 -4.009) 4.241 11.910 ( -5.940 0.000 20.035) 20.897 12.279 ( -3.099 0.000 -15.733) 16.035 12.404 ( 5.934 0.000 18.360) 19.295 12.842 ( 5.097 0.000 -25.019) 25.533 14.137 ( 6.549 0.000 -1.183) 6.655 14.181 ( 2.627 0.000 -5.157) 5.788 14.730 ( -0.448 0.000 14.573) 14.580 14.961 ( -1.984 0.000 -8.142) 8.381 14.989 ( -8.719 0.000 5.373) 10.242 15.106 ( -4.571 0.000 -6.059) 7.590 15.950 ( -6.132 0.000 3.769) 7.198 15.999 ( -8.296 0.000 -0.703) 8.325 16.192 ( 2.789 0.000 4.862) 5.605 16.261 ( -1.040 0.000 -2.220) 2.451 16.315 ( -14.919 0.000 3.359) 15.293 16.399 ( -10.093 0.000 -5.180) 11.345 17.048 ( -7.909 0.000 3.076) 8.486 17.140 ( -5.399 0.000 -5.707) 7.856 17.389 ( -8.483 0.000 10.600) 13.577 17.656 ( -12.843 0.000 -15.617) 20.219 18.523 ( -29.154 0.000 3.959) 29.422 18.575 ( -29.382 0.000 -1.329) 29.412 19.839 ( 41.849 0.000 14.748) 44.372 20.247 ( 43.068 0.000 -27.221) 50.950 20.796 ( 22.822 0.000 2.203) 22.928 20.830 ( 23.940 0.000 -1.071) 23.964 22.896 ( -13.603 0.000 4.181) 14.231 22.963 ( -15.200 0.000 -2.712) 15.440 23.260 ( -16.617 0.000 8.840) 18.822 23.363 ( -16.619 0.000 -2.413) 16.793 ======================= Grid point 245 (76/108) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 18.923 0.000 2.512) 19.089 2.061 ( 19.431 0.000 4.938) 20.048 2.471 ( 16.734 0.000 -4.465) 17.320 2.556 ( 22.462 0.000 -9.999) 24.588 3.287 ( -12.538 0.000 3.159) 12.929 3.385 ( -11.781 0.000 -6.911) 13.658 3.748 ( 0.848 0.000 10.213) 10.248 3.789 ( -9.357 0.000 2.076) 9.585 3.811 ( 0.457 0.000 0.521) 0.693 3.866 ( 5.551 0.000 1.952) 5.884 4.140 ( 21.579 0.000 2.010) 21.672 4.161 ( 4.905 0.000 0.879) 4.983 4.368 ( 15.527 0.000 12.331) 19.828 4.758 ( 24.922 0.000 -22.675) 33.693 4.869 ( 26.583 0.000 4.262) 26.922 4.963 ( 24.591 0.000 -4.958) 25.085 5.289 ( 16.210 0.000 15.455) 22.397 5.300 ( 2.671 0.000 5.952) 6.524 5.483 ( -3.952 0.000 -2.143) 4.496 5.690 ( 9.270 0.000 -14.640) 17.328 6.558 ( -12.670 0.000 1.661) 12.778 6.568 ( -16.788 0.000 -1.288) 16.837 6.736 ( -5.553 0.000 7.520) 9.348 6.935 ( -11.850 0.000 -10.062) 15.546 7.043 ( -7.847 0.000 1.598) 8.008 7.054 ( -5.544 0.000 0.963) 5.627 7.729 ( -5.553 0.000 5.997) 8.173 7.829 ( -6.602 0.000 -3.760) 7.598 8.196 ( 16.256 0.000 4.187) 16.786 8.310 ( 15.486 0.000 -7.248) 17.098 9.310 ( -8.337 0.000 4.151) 9.314 9.383 ( -7.972 0.000 -2.940) 8.497 9.939 ( 6.224 0.000 1.476) 6.396 9.948 ( 10.448 0.000 2.260) 10.690 9.980 ( 11.748 0.000 4.654) 12.637 10.058 ( 16.507 0.000 -2.915) 16.762 10.575 ( 17.810 0.000 18.025) 25.339 10.926 ( 28.012 0.000 -15.451) 31.991 11.077 ( -0.394 0.000 16.295) 16.300 11.387 ( 7.109 0.000 -14.040) 15.737 11.575 ( -5.633 0.000 4.808) 7.406 11.672 ( -2.965 0.000 -4.543) 5.425 11.789 ( -7.289 0.000 22.873) 24.006 12.237 ( -1.957 0.000 -20.319) 20.413 12.692 ( 25.190 0.000 12.219) 27.997 13.011 ( 13.935 0.000 -19.640) 24.081 14.218 ( 1.508 0.000 2.381) 2.819 14.304 ( 10.144 0.000 -6.013) 11.792 14.798 ( -2.686 0.000 13.687) 13.948 14.823 ( 2.837 0.000 5.640) 6.313 14.906 ( -4.706 0.000 -2.809) 5.481 15.052 ( 0.732 0.000 -11.237) 11.261 15.706 ( -24.222 0.000 1.090) 24.247 15.713 ( -21.122 0.000 0.640) 21.132 16.023 ( -13.374 0.000 1.576) 13.466 16.032 ( -8.626 0.000 0.833) 8.666 16.309 ( 5.427 0.000 7.383) 9.163 16.441 ( 6.556 0.000 -6.036) 8.911 16.930 ( -5.873 0.000 4.959) 7.686 17.084 ( -2.425 0.000 -9.672) 9.971 17.232 ( -6.682 0.000 6.363) 9.227 17.400 ( -11.977 0.000 -9.879) 15.526 17.997 ( -28.324 0.000 0.219) 28.325 17.998 ( -23.753 0.000 0.035) 23.753 20.600 ( 35.542 0.000 14.049) 38.218 20.952 ( 29.566 0.000 -21.183) 36.371 21.229 ( 21.993 0.000 3.051) 22.203 21.277 ( 22.454 0.000 -1.698) 22.518 22.588 ( -16.870 0.000 2.653) 17.078 22.613 ( -20.018 0.000 -0.565) 20.026 22.960 ( -15.047 0.000 4.546) 15.719 23.016 ( -19.021 0.000 -1.166) 19.057 ======================= Grid point 246 (77/108) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 16.427 0.000 -0.563) 16.437 2.432 ( 19.023 0.000 -3.689) 19.378 2.854 ( 20.977 0.000 5.754) 21.752 2.981 ( 19.840 0.000 -5.912) 20.702 3.020 ( -14.503 0.000 2.643) 14.742 3.121 ( -14.133 0.000 -7.663) 16.077 3.560 ( -13.446 0.000 6.408) 14.895 3.648 ( -12.016 0.000 -2.398) 12.253 3.813 ( 5.117 0.000 11.493) 12.581 4.034 ( 8.948 0.000 -9.111) 12.770 4.129 ( -7.254 0.000 10.079) 12.418 4.304 ( -0.440 0.000 -7.461) 7.474 4.906 ( 29.706 0.000 14.225) 32.936 5.195 ( 16.311 0.000 -11.664) 20.052 5.230 ( 10.560 0.000 1.150) 10.623 5.248 ( 11.427 0.000 -2.763) 11.757 5.503 ( 3.341 0.000 13.448) 13.857 5.615 ( 21.416 0.000 -2.938) 21.617 5.627 ( 19.460 0.000 2.097) 19.573 5.817 ( 4.797 0.000 -11.183) 12.169 6.217 ( -18.188 0.000 2.338) 18.337 6.303 ( -12.567 0.000 -5.217) 13.607 6.568 ( -12.971 0.000 2.093) 13.139 6.609 ( -20.058 0.000 -0.517) 20.065 7.022 ( 5.970 0.000 0.583) 5.999 7.050 ( 7.283 0.000 -1.509) 7.437 7.542 ( -13.307 0.000 4.036) 13.906 7.616 ( -14.504 0.000 -3.063) 14.824 8.515 ( 16.270 0.000 3.768) 16.701 8.614 ( 15.644 0.000 -6.244) 16.844 9.099 ( -12.818 0.000 3.806) 13.371 9.181 ( -12.428 0.000 -4.330) 13.161 10.069 ( 7.344 0.000 0.265) 7.349 10.070 ( 7.420 0.000 0.552) 7.440 10.201 ( 5.211 0.000 2.801) 5.916 10.235 ( 2.413 0.000 -0.968) 2.600 10.891 ( 13.260 0.000 29.986) 32.787 11.082 ( 0.515 0.000 24.881) 24.886 11.405 ( 13.668 0.000 -19.597) 23.893 11.466 ( -4.310 0.000 6.495) 7.795 11.577 ( 16.036 0.000 -20.701) 26.185 11.606 ( -2.907 0.000 -11.052) 11.428 11.620 ( -9.497 0.000 21.984) 23.947 12.154 ( -7.564 0.000 -29.734) 30.680 13.355 ( 40.483 0.000 3.114) 40.603 13.434 ( 29.046 0.000 -4.721) 29.428 14.249 ( 0.286 0.000 12.681) 12.685 14.489 ( 5.774 0.000 -10.860) 12.299 14.625 ( -7.788 0.000 10.093) 12.748 14.765 ( -9.175 0.000 -4.107) 10.052 15.075 ( 0.063 0.000 1.562) 1.563 15.140 ( -6.201 0.000 -4.584) 7.711 15.176 ( -11.269 0.000 1.739) 11.403 15.208 ( -11.846 0.000 -1.619) 11.956 15.774 ( -14.090 0.000 5.431) 15.101 15.857 ( -11.766 0.000 -2.534) 12.036 16.419 ( 5.902 0.000 8.836) 10.626 16.574 ( 7.030 0.000 -6.510) 9.581 16.764 ( -11.197 0.000 7.563) 13.512 16.944 ( -11.696 0.000 -9.085) 14.810 17.173 ( 1.145 0.000 4.169) 4.324 17.296 ( 1.854 0.000 -7.981) 8.194 17.529 ( -18.646 0.000 3.685) 19.007 17.624 ( -14.719 0.000 -5.820) 15.828 21.218 ( 28.089 0.000 9.249) 29.573 21.422 ( 19.800 0.000 -10.307) 22.322 21.658 ( 21.299 0.000 2.409) 21.435 21.690 ( 17.502 0.000 -1.241) 17.546 22.213 ( -19.907 0.000 3.411) 20.197 22.288 ( -11.719 0.000 -3.515) 12.235 22.620 ( -21.600 0.000 2.039) 21.696 22.652 ( -16.772 0.000 -1.145) 16.811 ======================= Grid point 247 (78/108) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( -15.819 0.000 0.879) 15.843 2.718 ( 15.819 0.000 0.879) 15.843 2.791 ( -17.645 0.000 -6.417) 18.775 2.791 ( 17.645 0.000 -6.417) 18.775 3.251 ( -18.369 0.000 6.918) 19.629 3.251 ( 18.369 0.000 6.918) 19.629 3.363 ( -17.103 0.000 -3.836) 17.528 3.363 ( 17.103 0.000 -3.836) 17.528 3.953 ( -9.047 0.000 13.616) 16.348 3.953 ( 9.047 0.000 13.616) 16.348 4.207 ( -8.076 0.000 -10.922) 13.583 4.207 ( 8.076 0.000 -10.922) 13.583 5.296 ( -8.263 0.000 5.437) 9.891 5.296 ( 8.263 0.000 5.437) 9.891 5.375 ( -3.517 0.000 -3.189) 4.747 5.375 ( 3.517 0.000 -3.189) 4.747 5.675 ( -16.908 0.000 7.078) 18.329 5.675 ( 16.908 0.000 7.078) 18.329 5.871 ( -7.689 0.000 -10.394) 12.929 5.871 ( 7.689 0.000 -10.394) 12.929 6.200 ( -19.671 0.000 4.262) 20.127 6.200 ( 19.671 0.000 4.262) 20.127 6.268 ( -14.008 0.000 -3.054) 14.337 6.268 ( 14.008 0.000 -3.054) 14.337 7.248 ( -15.352 0.000 2.419) 15.542 7.248 ( 15.352 0.000 2.419) 15.542 7.302 ( -16.359 0.000 -2.653) 16.573 7.302 ( 16.359 0.000 -2.653) 16.573 8.824 ( -15.214 0.000 3.679) 15.653 8.824 ( 15.214 0.000 3.679) 15.653 8.913 ( -14.804 0.000 -5.301) 15.725 8.913 ( 14.804 0.000 -5.301) 15.725 10.199 ( -5.156 0.000 -0.026) 5.156 10.199 ( 5.156 0.000 -0.026) 5.156 10.199 ( -4.500 0.000 -0.042) 4.500 10.199 ( 4.500 0.000 -0.042) 4.500 11.062 ( -4.055 0.000 33.286) 33.533 11.062 ( 4.055 0.000 33.286) 33.533 11.463 ( -4.916 0.000 12.968) 13.869 11.463 ( 4.916 0.000 12.968) 13.869 11.532 ( -3.969 0.000 -13.105) 13.693 11.532 ( 3.969 0.000 -13.105) 13.693 11.930 ( -15.427 0.000 -33.006) 36.433 11.930 ( 15.427 0.000 -33.006) 36.433 14.026 ( -26.089 0.000 9.373) 27.721 14.026 ( 26.089 0.000 9.373) 27.721 14.151 ( -37.339 0.000 -3.761) 37.528 14.151 ( 37.339 0.000 -3.761) 37.528 14.654 ( -13.870 0.000 5.763) 15.020 14.654 ( 13.870 0.000 5.763) 15.020 14.785 ( -10.835 0.000 -6.687) 12.732 14.785 ( 10.835 0.000 -6.687) 12.732 15.461 ( -17.070 0.000 3.470) 17.419 15.461 ( 17.070 0.000 3.470) 17.419 15.533 ( -20.790 0.000 -3.514) 21.085 15.533 ( 20.790 0.000 -3.514) 21.085 16.556 ( -8.832 0.000 9.350) 12.861 16.556 ( 8.832 0.000 9.350) 12.861 16.728 ( -9.386 0.000 -7.231) 11.848 16.728 ( 9.386 0.000 -7.231) 11.848 17.270 ( -8.712 0.000 4.761) 9.928 17.270 ( 8.712 0.000 4.761) 9.928 17.404 ( -8.385 0.000 -8.443) 11.899 17.404 ( 8.385 0.000 -8.443) 11.899 21.701 ( -20.719 0.000 2.738) 20.900 21.701 ( 20.719 0.000 2.738) 20.900 21.743 ( -11.856 0.000 -1.253) 11.922 21.743 ( 11.856 0.000 -1.253) 11.922 22.191 ( -20.788 0.000 6.107) 21.667 22.191 ( 20.788 0.000 6.107) 21.667 22.325 ( -14.808 0.000 -7.004) 16.380 22.325 ( 14.808 0.000 -7.004) 16.380 ======================= Grid point 253 (79/108) ======================= q-point: ( 0.00 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 0.000 25.964 20.300) 32.958 1.591 ( 0.000 12.765 32.115) 34.560 1.826 ( 0.000 17.835 -18.893) 25.981 2.213 ( 0.000 9.605 -30.101) 31.597 2.553 ( 0.000 11.066 49.787) 51.002 3.479 ( 0.000 5.634 -19.977) 20.756 3.566 ( 0.000 5.146 -14.339) 15.235 3.631 ( 0.000 15.194 -3.172) 15.521 3.738 ( 0.000 -5.633 2.585) 6.198 3.768 ( 0.000 -6.796 1.709) 7.007 3.827 ( 0.000 -0.764 5.705) 5.756 3.846 ( 0.000 13.285 7.983) 15.499 3.964 ( 0.000 1.171 -5.014) 5.149 4.057 ( 0.000 4.146 -11.581) 12.301 4.370 ( 0.000 4.107 8.164) 9.139 4.467 ( 0.000 1.416 17.849) 17.905 4.553 ( 0.000 10.481 -8.939) 13.775 4.912 ( 0.000 -1.336 -25.140) 25.176 5.756 ( 0.000 2.775 5.509) 6.169 5.874 ( 0.000 2.531 -5.991) 6.504 6.873 ( 0.000 -4.509 17.177) 17.759 6.995 ( 0.000 -2.037 16.048) 16.177 7.124 ( 0.000 -6.860 3.458) 7.682 7.142 ( 0.000 2.680 -5.996) 6.568 7.186 ( 0.000 -4.521 -2.697) 5.264 7.333 ( 0.000 -3.622 -12.815) 13.317 7.606 ( 0.000 -2.190 8.280) 8.565 7.768 ( 0.000 -3.440 -7.537) 8.285 7.797 ( 0.000 19.514 -0.486) 19.521 7.816 ( 0.000 13.506 -1.594) 13.600 8.762 ( 0.000 3.851 6.995) 7.985 8.921 ( 0.000 4.100 -8.543) 9.475 9.265 ( 0.000 -0.696 7.906) 7.936 9.409 ( 0.000 -0.417 -6.212) 6.226 10.036 ( 0.000 -4.235 9.234) 10.159 10.126 ( 0.000 22.126 5.722) 22.854 10.197 ( 0.000 -3.624 -6.712) 7.628 10.205 ( 0.000 15.250 -0.876) 15.275 11.204 ( 0.000 3.627 11.961) 12.499 11.375 ( 0.000 13.229 -5.544) 14.344 11.596 ( 0.000 1.976 8.038) 8.278 11.764 ( 0.000 2.507 -7.381) 7.795 12.119 ( 0.000 3.042 11.840) 12.225 12.370 ( 0.000 0.785 16.191) 16.210 12.404 ( 0.000 0.890 -15.669) 15.694 12.736 ( 0.000 -1.094 -19.781) 19.811 13.954 ( 0.000 -3.528 7.440) 8.234 14.168 ( 0.000 1.867 -14.516) 14.635 14.844 ( 0.000 4.766 14.054) 14.840 15.082 ( 0.000 5.192 -9.719) 11.019 15.141 ( 0.000 -3.786 -1.835) 4.207 15.151 ( 0.000 -3.151 -2.782) 4.203 15.994 ( 0.000 -8.553 4.868) 9.841 16.067 ( 0.000 -7.115 -0.367) 7.124 16.143 ( 0.000 -4.839 3.021) 5.704 16.215 ( 0.000 -3.722 -1.709) 4.096 16.685 ( 0.000 1.573 2.288) 2.777 16.733 ( 0.000 2.609 -2.485) 3.604 17.480 ( 0.000 -9.541 13.716) 16.708 17.727 ( 0.000 -11.525 -6.494) 13.229 18.027 ( 0.000 5.321 5.826) 7.891 18.117 ( 0.000 8.193 -5.101) 9.652 18.157 ( 0.000 7.111 -7.127) 10.068 18.186 ( 0.000 8.600 -10.545) 13.607 19.661 ( 0.000 -3.579 3.748) 5.183 19.733 ( 0.000 -3.669 -3.295) 4.931 19.812 ( 0.000 -1.955 3.332) 3.863 19.851 ( 0.000 -1.254 -0.589) 1.385 23.129 ( 0.000 -1.754 6.576) 6.806 23.254 ( 0.000 -0.733 -5.619) 5.666 23.511 ( 0.000 -20.493 13.480) 24.529 23.697 ( 0.000 -10.275 -6.555) 12.188 ======================= Grid point 254 (80/108) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 7.045 18.735 23.119) 30.580 1.653 ( 8.382 14.640 24.444) 29.700 1.934 ( 9.974 13.965 -19.096) 25.674 2.216 ( 1.225 8.138 -27.848) 29.039 2.834 ( 25.652 11.220 43.464) 51.702 3.592 ( 3.946 5.823 7.084) 9.983 3.655 ( 9.162 0.763 -29.877) 31.259 3.660 ( -1.435 5.052 0.122) 5.253 3.728 ( 1.535 -3.662 1.191) 4.145 3.775 ( 2.161 -1.360 -3.244) 4.129 3.799 ( 4.173 2.092 3.052) 5.577 3.939 ( 1.355 4.355 -5.503) 7.147 4.009 ( 11.335 9.544 5.710) 15.880 4.148 ( 6.805 1.149 -8.127) 10.662 4.335 ( 1.623 7.866 2.309) 8.357 4.460 ( -4.773 10.718 -8.029) 14.217 4.638 ( 13.119 0.353 19.033) 23.119 5.062 ( 11.526 -1.423 -22.283) 25.128 5.693 ( -5.964 2.934 5.719) 8.769 5.813 ( -5.804 2.866 -5.869) 8.737 6.836 ( -4.138 -5.459 16.331) 17.710 6.936 ( -6.017 -2.607 11.016) 12.820 7.067 ( -5.281 -2.527 2.389) 6.323 7.130 ( -2.332 -0.539 -5.884) 6.352 7.176 ( -0.694 -4.365 -0.588) 4.459 7.303 ( -3.038 -4.374 -10.288) 11.584 7.621 ( 3.196 -1.421 5.342) 6.386 7.746 ( 2.307 -0.728 -6.421) 6.862 7.893 ( 6.375 13.592 4.077) 15.557 7.962 ( 10.439 14.816 -3.507) 18.461 8.972 ( 20.420 3.187 4.380) 21.127 9.079 ( 16.663 3.508 -5.980) 18.047 9.359 ( 7.697 0.416 6.992) 10.407 9.481 ( 5.054 0.961 -4.493) 6.830 10.062 ( 3.324 -2.325 10.776) 11.515 10.119 ( 0.032 21.781 4.908) 22.327 10.180 ( -0.127 11.437 -1.829) 11.583 10.265 ( 5.876 2.783 -7.914) 10.242 11.212 ( 0.830 3.641 10.181) 10.844 11.314 ( -4.114 11.333 -0.860) 12.087 11.643 ( 2.919 4.049 4.742) 6.885 11.762 ( 0.003 3.116 -5.646) 6.449 12.080 ( -3.766 4.756 12.565) 13.952 12.366 ( -3.139 1.476 -13.794) 14.223 12.377 ( 0.872 1.365 16.074) 16.155 12.771 ( 3.382 -0.154 -22.145) 22.402 13.957 ( 0.669 -5.626 6.575) 8.679 14.152 ( -1.198 -0.968 -12.933) 13.024 14.809 ( -3.156 3.921 13.960) 14.840 15.033 ( -3.352 2.610 -8.437) 9.446 15.103 ( -3.995 -2.515 1.239) 4.880 15.174 ( 0.287 0.066 -5.335) 5.343 15.975 ( -2.679 -7.278 5.690) 9.619 16.059 ( -1.434 -6.127 -0.846) 6.349 16.124 ( -1.095 -4.537 2.421) 5.258 16.182 ( -0.774 -3.688 -1.494) 4.054 16.592 ( -9.420 1.736 2.409) 9.877 16.645 ( -8.905 2.159 -2.883) 9.605 17.298 ( -17.759 -2.806 3.972) 18.413 17.342 ( -18.515 -3.509 0.565) 18.854 17.570 ( -13.375 4.374 8.751) 16.571 17.854 ( -8.854 -0.854 -17.831) 19.926 18.780 ( 25.008 -1.005 9.863) 26.901 18.991 ( -1.174 -2.936 -7.676) 8.302 19.306 ( -6.599 -0.543 -0.600) 6.649 19.378 ( 22.769 2.264 -10.569) 25.205 20.297 ( 26.224 -3.139 1.207) 26.439 20.312 ( 25.942 -2.413 -0.117) 26.054 23.065 ( -6.845 -2.553 6.236) 9.605 23.175 ( -8.126 -1.477 -4.295) 9.310 23.399 ( -10.313 -15.749 13.189) 22.986 23.581 ( -10.862 -8.107 -6.070) 14.851 ======================= Grid point 255 (81/108) ======================= q-point: ( 0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 16.224 9.083 18.580) 26.286 1.906 ( 16.160 15.177 11.974) 25.197 2.182 ( 14.153 5.415 -17.269) 22.975 2.306 ( 9.568 7.373 -18.484) 22.081 3.395 ( 26.265 4.720 27.013) 37.971 3.520 ( -8.532 1.973 3.237) 9.337 3.584 ( -6.694 -0.101 -3.093) 7.375 3.716 ( 1.711 -2.826 -1.180) 3.508 3.788 ( 8.597 0.296 7.672) 11.526 3.878 ( 0.874 -1.963 0.901) 2.330 3.943 ( 3.046 4.495 -1.260) 5.574 4.082 ( 11.679 5.188 -5.487) 13.908 4.211 ( 1.373 1.695 -2.308) 3.176 4.301 ( 18.989 1.764 -17.227) 25.700 4.525 ( 20.044 14.528 2.372) 24.869 4.605 ( 19.314 12.030 -4.604) 23.215 4.925 ( 15.567 -1.818 16.338) 22.640 5.254 ( 5.671 -4.143 -12.573) 14.401 5.570 ( -4.822 2.278 2.461) 5.873 5.685 ( -5.356 4.370 -6.605) 9.561 6.709 ( -8.585 -7.224 9.807) 14.902 6.772 ( -10.207 -2.802 3.014) 11.005 6.938 ( -7.583 3.358 3.511) 9.006 7.048 ( -5.101 -3.393 -1.442) 6.294 7.154 ( -2.541 -1.051 -2.813) 3.934 7.197 ( -8.173 -3.550 -5.320) 10.378 7.707 ( 3.991 -3.484 6.313) 8.242 7.838 ( 4.705 -2.527 -6.443) 8.369 8.037 ( 8.918 12.208 5.723) 16.166 8.151 ( 9.177 11.846 -5.716) 16.038 9.365 ( 5.363 -1.967 5.925) 8.230 9.451 ( 7.608 -0.160 -2.220) 7.927 9.573 ( 17.869 6.330 2.062) 19.069 9.619 ( 26.198 6.115 -2.758) 27.043 10.129 ( 3.005 16.929 7.035) 18.577 10.141 ( 2.087 22.160 5.201) 22.858 10.294 ( 12.963 5.296 2.675) 14.256 10.481 ( 17.084 0.755 -9.800) 19.710 11.211 ( -1.584 9.308 7.757) 12.219 11.287 ( 2.195 3.474 -0.442) 4.133 11.661 ( -1.171 2.734 5.419) 6.182 11.769 ( 0.268 5.805 -4.252) 7.201 11.983 ( -6.152 6.615 14.941) 17.459 12.301 ( -2.960 2.451 -14.836) 15.326 12.447 ( 8.006 4.361 16.943) 19.240 12.863 ( 6.389 2.044 -24.170) 25.084 13.998 ( 3.798 -10.417 3.086) 11.509 14.133 ( -0.631 -7.001 -10.481) 12.620 14.754 ( -1.323 2.426 14.189) 14.456 14.970 ( -3.657 0.546 -5.392) 6.538 14.999 ( -5.400 1.024 4.166) 6.897 15.142 ( -3.103 3.200 -7.670) 8.871 15.897 ( -5.528 -5.303 4.697) 8.986 15.968 ( -6.743 -3.715 -1.857) 7.919 16.155 ( 2.742 -4.049 4.473) 6.627 16.215 ( 0.722 -4.996 -1.546) 5.280 16.337 ( -15.060 2.247 2.903) 15.501 16.407 ( -12.711 0.885 -4.185) 13.412 17.037 ( -8.524 -1.133 2.946) 9.090 17.118 ( -5.877 -2.941 -4.346) 7.879 17.374 ( -9.334 -1.005 9.313) 13.223 17.633 ( -13.388 -2.243 -15.599) 20.678 18.476 ( -28.459 -4.733 4.710) 29.231 18.549 ( -29.324 -2.938 -2.483) 29.576 19.846 ( 40.299 0.773 13.707) 42.573 20.223 ( 41.770 -2.321 -25.009) 48.740 20.766 ( 22.669 -3.128 2.310) 23.000 20.803 ( 23.826 -2.828 -1.203) 24.024 22.855 ( -14.352 -4.381 6.905) 16.519 22.947 ( -14.848 -1.645 -2.998) 15.237 23.169 ( -12.464 -7.525 9.773) 17.536 23.317 ( -15.485 -5.005 -5.006) 17.026 ======================= Grid point 256 (82/108) ======================= q-point: ( 0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 19.482 5.501 8.577) 21.986 2.228 ( 15.862 12.253 -1.667) 20.113 2.467 ( 17.023 0.231 -2.255) 17.174 2.612 ( 19.579 5.144 -11.262) 23.166 3.313 ( -12.059 2.199 3.392) 12.718 3.405 ( -11.099 1.579 -5.840) 12.641 3.637 ( 2.258 -6.615 7.269) 10.085 3.726 ( -3.324 -3.953 -1.154) 5.292 3.859 ( -2.913 0.526 2.748) 4.039 3.920 ( -0.028 2.879 -0.260) 2.891 4.124 ( 14.840 1.598 5.778) 16.005 4.213 ( 1.177 0.714 -2.648) 2.984 4.394 ( 23.195 4.693 15.233) 28.144 4.767 ( 24.260 1.915 -16.561) 29.436 4.954 ( 17.195 1.513 1.813) 17.356 5.005 ( 17.528 6.942 -0.951) 18.877 5.215 ( 13.905 -1.862 6.630) 15.517 5.330 ( 10.724 1.120 1.705) 10.916 5.515 ( 0.017 2.907 0.739) 3.000 5.691 ( 3.592 -0.780 -11.191) 11.780 6.526 ( -9.756 -2.306 1.761) 10.178 6.564 ( -10.602 -0.072 -1.560) 10.716 6.783 ( -8.150 3.751 7.085) 11.432 6.944 ( -8.242 1.582 -6.654) 10.711 6.999 ( -8.042 -2.927 4.416) 9.630 7.078 ( -4.452 1.079 -3.967) 6.060 7.717 ( -3.857 -1.158 6.613) 7.743 7.838 ( -5.599 0.461 -5.234) 7.679 8.252 ( 13.078 5.465 4.369) 14.833 8.359 ( 12.529 4.952 -6.223) 14.840 9.296 ( -8.306 -1.542 4.209) 9.439 9.371 ( -8.452 -1.491 -3.187) 9.155 10.038 ( 19.297 8.741 5.513) 21.890 10.101 ( 15.330 12.816 0.818) 19.998 10.217 ( 6.499 25.059 2.392) 25.998 10.254 ( 11.414 21.378 -0.641) 24.243 10.611 ( 17.888 3.921 15.102) 23.736 10.913 ( 25.186 -0.357 -10.337) 27.227 11.189 ( 0.452 10.813 7.164) 12.979 11.356 ( 3.847 -1.530 -6.403) 7.625 11.623 ( -1.899 3.248 7.364) 8.269 11.745 ( -2.849 7.175 -5.509) 9.483 11.841 ( -8.264 6.300 17.856) 20.659 12.255 ( -2.379 2.213 -19.906) 20.169 12.761 ( 25.162 6.826 10.700) 28.182 13.055 ( 14.701 4.475 -18.644) 24.161 14.084 ( 3.129 -12.083 1.748) 12.603 14.158 ( 5.262 -13.170 -5.235) 15.117 14.781 ( 1.573 -1.261 12.268) 12.432 14.858 ( -4.179 2.317 3.541) 5.948 14.960 ( 0.340 3.585 -1.104) 3.766 15.088 ( -0.803 3.512 -10.539) 11.138 15.680 ( -20.145 -1.983 3.766) 20.589 15.736 ( -20.125 1.054 -1.769) 20.230 15.998 ( -13.235 -2.351 2.262) 13.631 16.019 ( -11.538 -1.480 0.134) 11.634 16.279 ( 5.219 -3.113 7.030) 9.293 16.402 ( 6.247 -3.981 -5.517) 9.236 16.916 ( -5.572 -1.471 5.052) 7.663 17.056 ( -2.109 -3.391 -7.159) 8.198 17.201 ( -7.885 -2.754 4.359) 9.421 17.364 ( -12.727 -3.727 -10.117) 16.679 17.944 ( -25.888 -4.373 2.252) 26.351 17.989 ( -25.748 -2.069 -2.209) 25.925 20.584 ( 34.618 -1.618 13.244) 37.100 20.914 ( 29.301 -3.800 -19.834) 35.586 21.193 ( 21.419 -3.800 3.168) 21.983 21.244 ( 21.848 -3.392 -1.898) 22.191 22.544 ( -16.699 -3.640 5.635) 17.996 22.614 ( -18.583 -0.492 -2.208) 18.720 22.914 ( -14.105 -4.064 4.796) 15.442 22.991 ( -17.898 -2.783 -2.631) 18.304 ======================= Grid point 257 (83/108) ======================= q-point: ( 0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 17.586 4.737 2.139) 18.338 2.530 ( 15.871 8.213 -6.267) 18.937 2.845 ( 19.873 -0.634 7.016) 21.084 2.994 ( 15.288 1.545 -6.841) 16.820 3.064 ( -10.032 3.900 2.751) 11.109 3.162 ( -12.817 3.625 -6.695) 14.907 3.556 ( -12.592 -0.297 4.301) 13.310 3.598 ( -7.633 -4.473 0.867) 8.890 3.823 ( 2.028 0.474 8.613) 8.861 4.003 ( 6.661 -2.856 -6.933) 10.029 4.138 ( -7.419 0.597 6.095) 9.620 4.257 ( -0.522 -4.605 -5.189) 6.957 4.881 ( 20.472 -3.724 13.113) 24.595 5.148 ( 14.190 -4.987 -8.287) 17.172 5.183 ( 9.554 -4.575 -0.347) 10.598 5.231 ( 10.229 -1.796 -1.756) 10.533 5.497 ( 4.699 0.155 9.441) 10.547 5.594 ( 18.299 1.910 5.808) 19.294 5.710 ( 6.556 -4.435 -6.164) 10.032 5.728 ( 10.153 2.147 -10.785) 14.967 6.327 ( -9.553 9.777 1.586) 13.760 6.378 ( -7.803 7.043 -3.025) 10.938 6.603 ( -11.768 4.123 4.042) 13.108 6.666 ( -16.114 5.133 -1.368) 16.967 7.020 ( 7.860 0.639 1.268) 7.987 7.072 ( 6.464 1.824 -3.046) 7.375 7.552 ( -12.626 1.034 4.378) 13.403 7.635 ( -14.358 1.945 -3.657) 14.943 8.530 ( 14.980 1.326 3.799) 15.511 8.625 ( 14.325 0.846 -5.576) 15.395 9.089 ( -12.404 -1.202 3.421) 12.923 9.167 ( -12.154 -1.501 -4.314) 12.984 10.275 ( 7.770 17.572 2.391) 19.361 10.298 ( 8.275 21.674 0.315) 23.202 10.364 ( 5.783 18.360 4.615) 19.795 10.433 ( 4.095 20.165 -2.162) 20.690 10.922 ( 12.945 3.669 27.833) 30.914 11.133 ( 0.069 6.471 19.053) 20.122 11.399 ( 5.748 -3.505 -3.048) 7.390 11.424 ( 9.627 2.383 -15.143) 18.102 11.602 ( -2.780 1.092 12.533) 12.884 11.677 ( -4.005 7.139 -5.139) 9.666 11.727 ( 3.769 9.893 -7.291) 12.854 12.171 ( -7.058 1.971 -29.113) 30.021 13.400 ( 38.141 4.646 2.615) 38.512 13.469 ( 27.253 3.722 -4.262) 27.834 14.121 ( 0.411 -11.467 10.779) 15.743 14.301 ( 6.718 -13.446 -5.794) 16.109 14.678 ( -7.274 0.935 6.275) 9.652 14.811 ( -5.478 2.229 -5.392) 8.003 15.086 ( 1.146 0.338 2.160) 2.468 15.149 ( -11.514 1.229 -2.163) 11.780 15.191 ( -4.811 1.726 1.246) 5.261 15.250 ( -17.030 4.428 -3.018) 17.854 15.747 ( -13.657 -2.874 5.408) 14.967 15.829 ( -11.695 -2.999 -2.508) 12.331 16.391 ( 6.258 -2.882 8.303) 10.789 16.534 ( 7.143 -4.122 -5.793) 10.078 16.754 ( -11.291 -1.136 7.134) 13.404 16.921 ( -12.334 -2.445 -8.321) 15.078 17.121 ( 1.390 -5.347 4.742) 7.280 17.254 ( 1.757 -4.288 -8.180) 9.401 17.496 ( -18.278 -3.393 3.726) 18.960 17.599 ( -15.063 -2.619 -6.444) 16.592 21.185 ( 27.171 -3.336 8.901) 28.786 21.382 ( 19.584 -4.151 -9.965) 22.363 21.596 ( 18.459 -6.126 2.742) 19.641 21.637 ( 16.246 -5.531 -1.855) 17.262 22.213 ( -16.374 0.117 4.448) 16.968 22.293 ( -11.399 0.527 -2.907) 11.776 22.593 ( -19.446 -2.347 1.968) 19.686 22.641 ( -17.054 -1.344 -2.178) 17.245 ======================= Grid point 258 (84/108) ======================= q-point: (-0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( -15.205 4.104 1.863) 15.859 2.759 ( 15.205 4.104 1.863) 15.859 2.846 ( -15.760 5.141 -6.483) 17.800 2.846 ( 15.760 5.141 -6.483) 17.800 3.251 ( -17.013 0.066 6.807) 18.324 3.251 ( 17.013 0.066 6.807) 18.324 3.364 ( -14.628 -0.204 -3.990) 15.164 3.364 ( 14.628 -0.204 -3.990) 15.164 3.941 ( -8.959 -1.143 11.969) 14.994 3.941 ( 8.959 -1.143 11.969) 14.994 4.166 ( -7.337 -4.032 -9.645) 12.772 4.166 ( 7.337 -4.032 -9.645) 12.772 5.170 ( -10.425 -10.671 6.818) 16.402 5.170 ( 10.425 -10.671 6.818) 16.402 5.323 ( -5.518 -7.525 -8.147) 12.387 5.323 ( 5.518 -7.525 -8.147) 12.387 5.683 ( -11.286 1.575 7.392) 13.583 5.683 ( 11.286 1.575 7.392) 13.583 5.818 ( -1.866 -2.080 -4.982) 5.712 5.818 ( 1.866 -2.080 -4.982) 5.712 6.343 ( -4.674 11.169 1.385) 12.187 6.343 ( 4.674 11.169 1.385) 12.187 6.379 ( -6.657 10.840 -2.231) 12.915 6.379 ( 6.657 10.840 -2.231) 12.915 7.259 ( -13.572 1.448 2.903) 13.954 7.259 ( 13.572 1.448 2.903) 13.954 7.324 ( -14.586 2.240 -3.250) 15.111 7.324 ( 14.586 2.240 -3.250) 15.111 8.816 ( -12.671 -0.976 4.120) 13.360 8.816 ( 12.671 -0.976 4.120) 13.360 8.913 ( -12.295 -0.167 -5.696) 13.552 8.913 ( 12.295 -0.167 -5.696) 13.552 10.386 ( -3.086 18.193 2.609) 18.636 10.386 ( 3.086 18.193 2.609) 18.636 10.426 ( -4.049 22.035 -1.603) 22.461 10.426 ( 4.049 22.035 -1.603) 22.461 11.096 ( -4.744 4.845 30.100) 30.854 11.096 ( 4.744 4.845 30.100) 30.854 11.448 ( -3.767 -0.318 6.935) 7.898 11.448 ( 3.767 -0.318 6.935) 7.898 11.600 ( -3.458 6.016 -6.755) 9.684 11.600 ( 3.458 6.016 -6.755) 9.684 11.969 ( -13.491 3.885 -31.291) 34.296 11.969 ( 13.491 3.885 -31.291) 34.296 13.969 ( -18.866 -4.647 11.009) 22.332 13.969 ( 18.866 -4.647 11.009) 22.332 14.138 ( -30.547 -1.564 -6.198) 31.209 14.138 ( 30.547 -1.564 -6.198) 31.209 14.664 ( -13.459 1.022 6.553) 15.005 14.664 ( 13.460 1.022 6.553) 15.005 14.807 ( -6.648 1.693 -7.234) 9.969 14.807 ( 6.648 1.693 -7.234) 9.969 15.449 ( -15.788 -1.198 3.465) 16.208 15.449 ( 15.788 -1.198 3.465) 16.208 15.518 ( -19.257 -1.672 -3.216) 19.596 15.518 ( 19.257 -1.672 -3.216) 19.596 16.537 ( -9.290 -2.003 8.696) 12.881 16.537 ( 9.290 -2.003 8.696) 12.881 16.695 ( -9.723 -3.493 -6.553) 12.235 16.695 ( 9.723 -3.493 -6.553) 12.235 17.224 ( -8.511 -4.755 5.617) 11.251 17.224 ( 8.511 -4.755 5.617) 11.251 17.376 ( -8.053 -2.923 -9.231) 12.594 17.376 ( 8.053 -2.923 -9.231) 12.594 21.629 ( -14.955 -6.486 3.733) 16.724 21.629 ( 14.955 -6.486 3.733) 16.724 21.698 ( -9.167 -5.339 -2.884) 10.994 21.698 ( 9.167 -5.339 -2.884) 10.994 22.187 ( -14.949 0.055 7.260) 16.618 22.187 ( 14.949 0.055 7.260) 16.618 22.337 ( -10.906 0.858 -7.419) 13.218 22.337 ( 10.906 0.858 -7.419) 13.218 ======================= Grid point 264 (85/108) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 0.000 21.056 18.665) 28.138 1.913 ( 0.000 20.069 27.251) 33.843 2.215 ( 0.000 20.374 -13.922) 24.676 2.466 ( 0.000 16.353 -27.697) 32.164 2.917 ( 0.000 26.768 33.838) 43.146 3.582 ( 0.000 -10.531 0.965) 10.575 3.592 ( 0.000 -10.841 0.269) 10.845 3.610 ( 0.000 7.863 -21.424) 22.822 3.685 ( 0.000 7.063 3.947) 8.091 3.820 ( 0.000 0.210 8.775) 8.778 3.897 ( 0.000 9.718 -10.579) 14.365 4.000 ( 0.000 2.509 -7.558) 7.964 4.149 ( 0.000 11.318 6.408) 13.006 4.241 ( 0.000 17.603 -2.450) 17.773 4.520 ( 0.000 11.118 13.069) 17.159 4.591 ( 0.000 14.711 5.670) 15.765 4.788 ( 0.000 13.825 -12.998) 18.975 4.907 ( 0.000 3.083 -22.445) 22.655 5.830 ( 0.000 4.719 5.392) 7.166 5.930 ( 0.000 3.006 -4.608) 5.502 6.760 ( 0.000 -7.273 18.264) 19.659 6.934 ( 0.000 -4.145 17.706) 18.185 6.934 ( 0.000 -12.972 6.314) 14.427 7.048 ( 0.000 -9.981 -4.909) 11.123 7.075 ( 0.000 -8.225 -11.575) 14.200 7.261 ( 0.000 -4.726 -13.060) 13.889 7.543 ( 0.000 -4.496 6.510) 7.912 7.668 ( 0.000 -7.178 -5.585) 9.095 8.181 ( 0.000 22.973 5.452) 23.611 8.266 ( 0.000 26.164 -3.084) 26.345 8.854 ( 0.000 5.989 6.872) 9.115 9.013 ( 0.000 5.588 -8.226) 9.944 9.245 ( 0.000 -1.508 8.029) 8.169 9.392 ( 0.000 -1.538 -6.466) 6.647 9.925 ( 0.000 -7.109 9.974) 12.249 10.103 ( 0.000 -5.991 -7.532) 9.624 10.668 ( 0.000 31.594 14.075) 34.587 10.758 ( 0.000 42.905 0.781) 42.912 11.356 ( 0.000 13.876 15.269) 20.632 11.646 ( 0.000 3.069 8.963) 9.474 11.669 ( 0.000 15.670 -11.877) 19.663 11.811 ( 0.000 1.911 -4.619) 4.999 12.211 ( 0.000 6.564 5.851) 8.793 12.384 ( 0.000 0.966 14.020) 14.053 12.426 ( 0.000 1.378 -13.361) 13.432 12.709 ( 0.000 -1.434 -18.738) 18.793 13.932 ( 0.000 1.242 6.027) 6.154 14.156 ( 0.000 -1.800 -16.268) 16.367 14.975 ( 0.000 8.689 15.027) 17.358 15.034 ( 0.000 -7.363 -1.143) 7.451 15.064 ( 0.000 -6.024 -4.035) 7.250 15.223 ( 0.000 9.134 -9.696) 13.321 15.764 ( 0.000 -16.198 3.777) 16.632 15.838 ( 0.000 -16.843 -3.259) 17.156 16.023 ( 0.000 -7.690 6.494) 10.065 16.108 ( 0.000 -6.880 -1.128) 6.972 16.723 ( 0.000 1.938 3.309) 3.834 16.783 ( 0.000 2.290 -2.526) 3.409 17.255 ( 0.000 -13.424 13.597) 19.107 17.503 ( 0.000 -11.769 -8.625) 14.591 18.168 ( 0.000 9.144 4.646) 10.257 18.263 ( 0.000 7.494 -2.422) 7.875 18.309 ( 0.000 8.107 -7.237) 10.867 18.363 ( 0.000 9.157 -15.800) 18.262 19.569 ( 0.000 -5.811 3.551) 6.810 19.637 ( 0.000 -6.108 -3.073) 6.838 19.757 ( 0.000 -3.919 3.707) 5.394 19.808 ( 0.000 -3.473 -1.234) 3.686 23.080 ( 0.000 -3.328 8.113) 8.769 23.134 ( 0.000 -16.714 22.599) 28.108 23.233 ( 0.000 -1.487 -6.800) 6.961 23.465 ( 0.000 -12.414 -11.783) 17.116 ======================= Grid point 265 (86/108) ======================= q-point: ( 0.10 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -0.269 21.009 24.548) 32.312 1.977 ( 7.924 18.022 17.997) 26.673 2.270 ( 5.191 19.159 -15.324) 25.077 2.428 ( -2.174 13.611 -26.104) 29.520 3.157 ( 20.348 21.091 29.364) 41.486 3.556 ( -2.182 -9.427 -0.938) 9.722 3.576 ( -0.948 -8.790 0.288) 8.846 3.711 ( 2.257 5.801 0.641) 6.257 3.758 ( 4.431 5.127 -1.556) 6.953 3.776 ( 4.487 1.297 2.325) 5.218 3.931 ( -0.499 5.341 -5.778) 7.884 4.059 ( 10.990 8.834 -17.177) 22.223 4.174 ( 0.259 6.155 7.492) 9.700 4.295 ( 3.581 12.342 -3.475) 13.312 4.565 ( 6.818 13.864 7.474) 17.163 4.711 ( 2.902 16.257 -3.569) 16.896 4.722 ( 8.087 11.634 2.486) 14.385 5.054 ( 8.940 2.268 -20.136) 22.148 5.768 ( -5.935 4.734 5.864) 9.593 5.873 ( -5.360 3.053 -4.437) 7.598 6.695 ( -6.398 -9.528 14.348) 18.373 6.838 ( -6.863 -8.543 4.703) 11.925 6.982 ( 1.521 -5.391 11.996) 13.240 7.001 ( -2.583 -9.344 -1.193) 9.768 7.110 ( 1.699 -5.911 -8.567) 10.547 7.224 ( -3.414 -3.844 -10.243) 11.461 7.567 ( 2.569 -4.140 5.103) 7.055 7.675 ( 1.983 -6.145 -5.251) 8.323 8.242 ( 4.090 20.869 7.129) 22.429 8.348 ( 6.169 22.859 -3.740) 23.970 9.045 ( 18.086 4.503 4.494) 19.172 9.148 ( 15.423 3.458 -5.190) 16.636 9.380 ( 11.670 1.993 5.724) 13.150 9.493 ( 7.291 0.046 -4.722) 8.686 9.990 ( 8.332 -4.582 8.951) 13.059 10.151 ( 6.297 -5.138 -6.546) 10.436 10.684 ( 1.701 31.973 11.704) 34.091 10.773 ( 1.673 42.761 0.056) 42.794 11.358 ( 0.336 13.708 12.988) 18.886 11.539 ( -5.029 9.988 -0.575) 11.197 11.762 ( 1.971 7.959 0.179) 8.201 11.836 ( 3.801 4.303 -3.794) 6.882 12.189 ( -2.195 6.611 6.400) 9.460 12.402 ( -0.758 1.735 -3.740) 4.192 12.418 ( 2.769 3.660 4.933) 6.738 12.763 ( 5.219 -0.738 -20.596) 21.260 13.895 ( -3.537 -0.432 5.366) 6.441 14.093 ( -5.814 -3.631 -14.391) 15.940 14.905 ( -5.269 4.311 11.148) 13.062 15.035 ( -2.551 -3.054 -2.329) 4.610 15.043 ( -0.790 -2.851 2.579) 3.925 15.233 ( 0.450 6.638 -9.975) 11.990 15.774 ( 0.377 -14.363 4.181) 14.964 15.852 ( 0.828 -15.654 -3.358) 16.031 16.008 ( -0.554 -7.463 5.618) 9.358 16.080 ( -1.887 -6.481 -0.765) 6.794 16.630 ( -9.212 1.765 3.253) 9.927 16.688 ( -9.576 2.160 -2.290) 10.080 17.154 ( -8.778 -10.986 8.471) 16.417 17.277 ( -16.754 -4.355 -2.938) 17.559 17.694 ( -21.938 8.026 2.203) 23.463 17.864 ( -13.613 2.506 -13.920) 19.631 18.732 ( 4.200 -4.349 6.610) 8.958 18.908 ( -6.260 -5.847 -8.703) 12.211 19.318 ( 5.216 2.220 2.884) 6.361 19.431 ( 24.918 3.307 -9.917) 27.022 20.213 ( 25.913 -5.658 1.696) 26.577 20.240 ( 25.543 -5.057 -0.729) 26.049 22.973 ( -9.496 -7.707 13.665) 18.339 23.093 ( -5.494 -7.470 9.199) 13.061 23.177 ( -5.512 -4.473 -1.166) 7.194 23.389 ( -7.417 -10.509 -10.506) 16.608 ======================= Grid point 266 (87/108) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 9.930 16.487 17.558) 26.053 2.194 ( 13.978 13.660 14.008) 24.046 2.365 ( 3.780 14.240 -20.687) 25.397 2.483 ( 9.284 10.359 -15.172) 20.584 3.448 ( 2.879 -1.917 7.693) 8.435 3.508 ( -2.761 -6.397 -1.226) 7.075 3.547 ( -2.112 0.981 7.132) 7.503 3.718 ( -0.768 1.697 -0.741) 2.004 3.802 ( 4.725 0.241 1.683) 5.022 3.917 ( 4.752 6.339 3.641) 8.719 4.061 ( 17.300 7.615 5.916) 19.806 4.131 ( -3.177 2.309 8.407) 9.279 4.296 ( -1.731 4.481 -6.646) 8.200 4.416 ( 22.008 10.115 -18.229) 30.314 4.748 ( 10.610 6.667 9.345) 15.631 4.912 ( 16.079 16.764 -5.295) 23.824 4.975 ( 14.669 9.330 4.818) 18.040 5.191 ( 6.443 1.880 -12.786) 14.441 5.633 ( -6.639 3.774 5.291) 9.290 5.752 ( -6.248 2.263 -5.581) 8.678 6.561 ( -5.635 -7.679 7.581) 12.173 6.673 ( -8.859 -8.164 -2.711) 12.348 6.950 ( -3.277 -2.644 6.615) 7.841 6.994 ( -0.443 -1.639 8.307) 8.479 7.119 ( -2.327 -3.411 -8.583) 9.525 7.135 ( -4.511 -1.528 -5.250) 7.089 7.637 ( 4.120 -4.168 5.824) 8.262 7.758 ( 5.631 -5.789 -6.117) 10.131 8.311 ( 3.136 15.310 6.863) 17.068 8.431 ( 2.367 16.374 -4.993) 17.281 9.323 ( 3.586 -2.380 6.020) 7.400 9.418 ( 1.198 -3.375 -3.284) 4.859 9.720 ( 25.139 8.650 2.366) 26.691 9.765 ( 29.286 8.724 -1.626) 30.601 10.270 ( 18.835 2.962 9.652) 21.371 10.411 ( 20.160 -0.737 -4.494) 20.668 10.745 ( 4.826 33.321 5.358) 34.092 10.828 ( 4.161 40.368 -2.239) 40.643 11.368 ( 0.553 11.406 8.717) 14.367 11.471 ( -1.796 13.042 -0.479) 13.174 11.743 ( -2.748 5.445 7.757) 9.867 11.917 ( 2.587 8.697 -6.432) 11.122 12.131 ( -3.555 8.724 9.517) 13.391 12.376 ( -1.130 5.163 -11.734) 12.869 12.563 ( 12.456 7.679 10.821) 18.199 12.907 ( 9.808 2.066 -21.878) 24.065 13.825 ( -2.395 -6.030 3.147) 7.212 13.962 ( -6.721 -8.775 -10.613) 15.323 14.811 ( -3.696 2.627 11.677) 12.527 14.964 ( -4.478 -1.450 -1.039) 4.820 15.011 ( -1.890 -0.014 3.943) 4.372 15.218 ( -2.266 4.653 -10.916) 12.081 15.751 ( -3.113 -10.253 5.112) 11.872 15.835 ( -2.855 -10.996 -3.014) 11.754 16.032 ( 2.489 -8.535 4.122) 9.800 16.078 ( 0.931 -8.575 -0.499) 8.640 16.390 ( -13.998 2.588 2.267) 14.415 16.431 ( -15.650 1.761 -1.622) 15.832 16.997 ( -6.893 -6.529 2.191) 9.744 17.013 ( -8.741 -4.723 0.588) 9.953 17.379 ( -12.744 1.948 4.172) 13.551 17.585 ( -15.608 -2.196 -14.693) 21.548 18.349 ( -27.286 -8.416 5.717) 29.121 18.458 ( -28.663 -6.628 -4.838) 29.814 19.873 ( 36.280 2.231 11.119) 38.011 20.173 ( 38.028 -2.414 -19.519) 42.813 20.679 ( 22.248 -5.962 2.574) 23.177 20.723 ( 23.520 -5.429 -1.646) 24.194 22.745 ( -13.297 -6.123 12.890) 19.505 22.903 ( -13.631 -2.895 -3.093) 14.274 23.035 ( -8.914 -5.988 6.196) 12.398 23.193 ( -12.402 -7.155 -7.372) 16.105 ======================= Grid point 267 (88/108) ======================= q-point: ( 0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 16.461 11.087 9.460) 21.986 2.479 ( 8.562 10.028 -13.940) 19.188 2.504 ( 17.444 7.401 10.260) 21.548 2.728 ( 14.914 6.694 -11.672) 20.087 3.345 ( -9.397 0.360 3.563) 10.056 3.415 ( -7.232 -1.047 -2.403) 7.692 3.533 ( -0.318 -4.122 6.223) 7.471 3.680 ( -2.833 -0.954 -7.105) 7.708 3.835 ( -0.562 -2.373 5.752) 6.248 3.951 ( -3.484 0.770 -3.071) 4.707 4.114 ( 2.902 -3.067 5.536) 6.962 4.238 ( -0.680 1.533 -3.779) 4.134 4.540 ( 19.843 8.197 14.569) 25.946 4.770 ( 13.836 -1.517 2.811) 14.200 4.971 ( 6.096 -1.162 -7.582) 9.798 5.025 ( 7.574 -0.069 -3.794) 8.471 5.349 ( 21.174 15.122 5.210) 26.536 5.441 ( 11.640 7.359 -0.034) 13.771 5.557 ( 2.306 1.475 -3.272) 4.266 5.640 ( -4.092 -3.074 -7.248) 8.873 6.519 ( 0.585 1.479 1.007) 1.882 6.549 ( -2.441 -1.072 -2.027) 3.349 6.859 ( -6.012 3.963 8.038) 10.791 6.944 ( -6.991 -2.485 4.632) 8.747 7.006 ( -2.645 4.603 -2.567) 5.897 7.094 ( -1.958 0.775 -7.114) 7.419 7.686 ( -0.564 -2.241 6.938) 7.313 7.824 ( -0.999 -2.398 -6.726) 7.210 8.388 ( 5.778 8.335 4.906) 11.266 8.487 ( 4.806 8.189 -4.638) 10.568 9.250 ( -8.349 -3.219 3.799) 9.721 9.319 ( -8.563 -4.102 -2.898) 9.927 10.218 ( 21.518 9.209 9.248) 25.166 10.354 ( 25.895 12.572 -1.489) 28.824 10.666 ( 19.350 9.227 14.635) 25.956 10.832 ( 18.602 16.686 0.066) 24.989 10.859 ( 6.134 37.472 0.347) 37.972 10.973 ( 13.606 17.885 -9.994) 24.595 11.383 ( 1.663 6.715 5.168) 8.636 11.472 ( 1.861 18.971 -3.785) 19.435 11.682 ( -2.932 3.993 14.584) 15.403 11.920 ( -1.648 10.677 -7.966) 13.422 12.050 ( -4.893 15.373 9.540) 18.743 12.349 ( -2.383 8.500 -17.384) 19.497 12.928 ( 25.191 9.899 7.186) 28.004 13.166 ( 17.362 6.476 -16.189) 24.606 13.837 ( 2.324 -12.062 0.027) 12.283 13.882 ( 1.605 -13.814 -3.933) 14.452 14.764 ( -2.663 -0.527 11.675) 11.986 14.869 ( -4.039 -1.137 0.984) 4.310 15.004 ( 1.746 0.485 0.860) 2.005 15.154 ( -3.277 2.516 -10.708) 11.478 15.619 ( -12.607 -4.729 6.300) 14.866 15.722 ( -11.053 -3.759 -3.727) 12.255 15.932 ( -14.958 -4.960 2.959) 16.035 15.966 ( -13.683 -4.726 -0.512) 14.485 16.213 ( 1.476 -2.310 5.585) 6.222 16.304 ( 3.965 -5.445 -3.730) 7.700 16.876 ( -5.049 -2.702 4.294) 7.157 16.932 ( -1.821 -9.700 1.277) 9.952 17.156 ( -10.844 -1.581 -1.930) 11.128 17.270 ( -15.144 -5.571 -10.265) 19.124 17.831 ( -25.226 -7.501 3.947) 26.612 17.917 ( -25.081 -5.476 -4.674) 26.094 20.546 ( 31.911 -2.016 11.147) 33.862 20.819 ( 28.121 -5.614 -16.157) 32.915 21.088 ( 19.954 -6.962 3.635) 21.444 21.151 ( 20.379 -6.262 -2.433) 21.458 22.475 ( -14.046 -3.055 9.087) 17.006 22.597 ( -16.746 -1.030 -3.986) 17.245 22.827 ( -12.572 -4.809 4.172) 14.092 22.915 ( -15.891 -4.854 -4.123) 17.120 ======================= Grid point 268 (89/108) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 16.183 7.893 4.275) 18.506 2.693 ( 12.957 7.333 -7.643) 16.735 2.855 ( 17.423 2.816 8.511) 19.594 3.029 ( 12.950 1.758 -8.242) 15.451 3.145 ( -8.267 4.082 3.663) 9.921 3.232 ( -10.532 3.305 -4.185) 11.805 3.504 ( -4.149 -4.846 3.738) 7.394 3.549 ( -11.437 -0.573 -1.429) 11.540 3.814 ( 0.676 -1.500 7.138) 7.325 3.939 ( 3.401 -3.747 -4.430) 6.725 4.118 ( -5.609 -4.658 1.242) 7.396 4.169 ( -5.266 -2.399 -1.965) 6.111 4.738 ( 7.941 -10.229 10.015) 16.371 4.950 ( 4.350 -13.125 -9.276) 16.651 5.138 ( -3.935 -7.041 1.758) 8.255 5.180 ( 10.899 -0.402 1.040) 10.956 5.484 ( 3.108 -1.986 3.832) 5.319 5.609 ( 11.114 1.585 -6.102) 12.778 5.713 ( 13.739 8.517 5.158) 16.968 5.835 ( 9.679 5.680 -6.818) 13.131 6.519 ( -0.002 8.743 1.321) 8.842 6.550 ( -0.295 10.804 -1.322) 10.888 6.721 ( -8.403 7.485 5.127) 12.366 6.775 ( -8.284 5.792 0.384) 10.115 7.070 ( 9.118 5.033 -0.149) 10.416 7.118 ( 7.147 3.214 -4.136) 8.861 7.581 ( -10.144 1.885 5.115) 11.516 7.683 ( -12.736 2.778 -4.857) 13.911 8.557 ( 11.188 1.403 3.805) 11.901 8.639 ( 10.362 0.629 -3.954) 11.109 9.050 ( -11.564 -2.991 2.443) 12.192 9.120 ( -11.492 -3.636 -4.229) 12.774 10.537 ( 12.229 10.002 14.145) 21.206 10.709 ( 10.963 16.743 5.080) 20.648 10.850 ( 1.240 20.723 3.447) 21.044 10.968 ( 2.332 30.430 -3.094) 30.676 11.115 ( 13.855 22.537 10.935) 28.626 11.301 ( 12.714 6.754 1.663) 14.492 11.435 ( 2.998 12.511 5.376) 13.943 11.540 ( 2.143 9.990 -3.074) 10.670 11.662 ( 3.106 9.399 7.017) 12.134 11.867 ( -4.211 13.341 -4.028) 14.558 11.973 ( -0.559 16.696 -6.931) 18.086 12.256 ( -7.329 8.584 -26.144) 28.476 13.517 ( 33.375 6.507 2.405) 34.088 13.577 ( 23.015 7.550 -3.472) 24.470 13.890 ( 4.551 -10.818 9.135) 14.873 14.053 ( 12.075 -11.589 -6.537) 17.967 14.653 ( -6.631 -3.060 7.111) 10.193 14.802 ( -5.201 -2.602 -6.412) 8.657 15.059 ( -3.247 -3.530 2.571) 5.442 15.139 ( -4.118 -3.071 -4.538) 6.855 15.264 ( -11.454 4.973 5.187) 13.522 15.363 ( -17.113 6.386 -4.523) 18.817 15.663 ( -12.264 -6.046 4.845) 14.506 15.738 ( -11.412 -6.724 -2.337) 13.451 16.315 ( 6.955 -4.796 6.751) 10.814 16.425 ( 7.471 -6.774 -4.326) 10.973 16.717 ( -11.932 -2.830 6.168) 13.727 16.851 ( -13.304 -4.807 -6.238) 15.460 16.979 ( 1.469 -9.112 6.496) 11.287 17.139 ( 0.829 -7.512 -8.107) 11.083 17.402 ( -17.271 -6.427 3.316) 18.724 17.522 ( -15.723 -5.569 -7.932) 18.470 21.101 ( 24.750 -5.205 7.888) 26.493 21.272 ( 18.683 -6.948 -8.660) 21.733 21.442 ( 14.752 -9.531 3.200) 17.853 21.492 ( 12.575 -9.090 -2.006) 15.645 22.222 ( -10.563 0.883 5.833) 12.098 22.308 ( -10.407 1.057 -2.531) 10.762 22.542 ( -16.507 -2.924 1.339) 16.818 22.599 ( -15.634 -2.966 -3.307) 16.253 ======================= Grid point 269 (90/108) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( -13.425 5.704 3.686) 15.045 2.857 ( 13.425 5.704 3.686) 15.045 2.953 ( -12.331 5.143 -4.741) 14.176 2.953 ( 12.331 5.143 -4.741) 14.176 3.259 ( -14.841 1.030 4.310) 15.489 3.259 ( 14.841 1.030 4.310) 15.489 3.344 ( -11.350 -1.914 -3.066) 11.911 3.344 ( 11.350 -1.914 -3.066) 11.911 3.914 ( -8.742 -1.652 7.555) 11.672 3.914 ( 8.742 -1.652 7.555) 11.672 4.065 ( -5.803 -6.309 -6.272) 10.622 4.065 ( 5.803 -6.309 -6.272) 10.622 4.936 ( -11.317 -13.177 6.206) 18.445 4.936 ( 11.317 -13.177 6.206) 18.445 5.110 ( -9.477 -13.383 -10.221) 19.323 5.110 ( 9.477 -13.383 -10.221) 19.323 5.741 ( -9.833 4.285 6.966) 12.790 5.741 ( 9.833 4.285 6.966) 12.790 5.837 ( -1.732 3.707 -2.304) 4.696 5.837 ( 1.732 3.707 -2.304) 4.696 6.563 ( -5.188 11.351 2.216) 12.676 6.563 ( 5.188 11.351 2.216) 12.676 6.615 ( -7.152 12.334 -2.639) 14.500 6.615 ( 7.152 12.334 -2.639) 14.500 7.314 ( -11.453 4.414 3.155) 12.673 7.314 ( 11.453 4.414 3.155) 12.673 7.387 ( -13.304 4.409 -3.818) 14.527 7.387 ( 13.304 4.409 -3.818) 14.527 8.782 ( -8.440 -2.558 4.935) 10.106 8.782 ( 8.440 -2.558 4.935) 10.106 8.896 ( -8.226 -1.869 -6.418) 10.600 8.896 ( 8.226 -1.869 -6.418) 10.600 10.721 ( -6.732 12.350 15.199) 20.709 10.721 ( 6.732 12.350 15.199) 20.709 10.930 ( -5.368 25.095 -6.317) 26.429 10.930 ( 5.368 25.095 -6.317) 26.429 11.334 ( -7.376 19.608 16.203) 26.484 11.334 ( 7.376 19.608 16.203) 26.484 11.513 ( -2.992 10.824 6.909) 13.185 11.513 ( 2.992 10.824 6.909) 13.185 11.762 ( -5.624 12.985 -4.836) 14.954 11.762 ( 5.624 12.985 -4.836) 14.954 12.082 ( -9.470 9.052 -27.127) 30.124 12.082 ( 9.470 9.052 -27.127) 30.124 13.896 ( -5.268 -2.074 12.634) 13.845 13.896 ( 5.268 -2.074 12.634) 13.845 14.105 ( -16.556 -1.219 -8.407) 18.608 14.105 ( 16.556 -1.219 -8.407) 18.608 14.679 ( -11.513 -0.079 6.360) 13.153 14.679 ( 11.513 -0.079 6.360) 13.153 14.821 ( -3.757 -0.916 -7.641) 8.564 14.821 ( 3.757 -0.916 -7.641) 8.564 15.414 ( -8.907 -2.786 2.818) 9.748 15.414 ( 8.907 -2.786 2.818) 9.748 15.468 ( -12.935 -3.396 -2.336) 13.576 15.468 ( 12.935 -3.396 -2.336) 13.576 16.481 ( -10.516 -3.740 6.677) 13.006 16.481 ( 10.516 -3.740 6.677) 13.006 16.600 ( -10.743 -6.107 -4.908) 13.296 16.600 ( 10.743 -6.107 -4.908) 13.296 17.094 ( -8.146 -8.738 8.151) 14.462 17.094 ( 8.146 -8.738 8.151) 14.462 17.293 ( -7.323 -5.822 -11.080) 14.501 17.293 ( 7.324 -5.822 -11.080) 14.501 21.480 ( -11.014 -8.747 3.854) 14.583 21.480 ( 11.014 -8.747 3.854) 14.583 21.548 ( -5.842 -9.638 -2.706) 11.590 21.548 ( 5.842 -9.638 -2.706) 11.590 22.199 ( -8.355 1.089 7.009) 10.960 22.199 ( 8.355 1.089 7.009) 10.960 22.345 ( -6.847 -0.107 -7.205) 9.940 22.345 ( 6.847 -0.107 -7.205) 9.940 ======================= Grid point 275 (91/108) ======================= q-point: ( 0.00 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 0.000 15.014 19.061) 24.263 2.323 ( 0.000 22.215 23.083) 32.036 2.543 ( 0.000 13.791 -13.184) 19.079 2.810 ( 0.000 18.910 -25.132) 31.452 3.351 ( 0.000 -13.126 1.274) 13.187 3.379 ( 0.000 -11.126 -1.543) 11.232 3.423 ( 0.000 19.128 14.214) 23.831 3.683 ( 0.000 -3.451 -5.988) 6.911 3.838 ( 0.000 1.774 11.026) 11.168 3.885 ( 0.000 17.483 12.437) 21.456 4.051 ( 0.000 8.729 -4.249) 9.708 4.054 ( 0.000 3.018 -9.699) 10.158 4.345 ( 0.000 6.641 -5.486) 8.614 4.455 ( 0.000 9.305 -11.380) 14.700 4.767 ( 0.000 14.002 14.696) 20.298 5.030 ( 0.000 27.639 0.909) 27.654 5.060 ( 0.000 13.814 -14.488) 20.018 5.149 ( 0.000 21.279 -11.475) 24.176 5.923 ( 0.000 4.603 3.143) 5.574 5.975 ( 0.000 1.313 -2.234) 2.591 6.598 ( 0.000 -9.524 16.617) 19.153 6.641 ( 0.000 -17.126 9.779) 19.721 6.812 ( 0.000 -14.298 -7.201) 16.009 6.849 ( 0.000 -5.962 13.827) 15.057 6.883 ( 0.000 -9.441 -7.837) 12.270 7.157 ( 0.000 -5.423 -12.648) 13.762 7.431 ( 0.000 -7.399 3.484) 8.179 7.494 ( 0.000 -10.944 -2.602) 11.250 8.601 ( 0.000 19.567 8.598) 21.373 8.688 ( 0.000 16.114 1.859) 16.221 9.015 ( 0.000 11.007 2.367) 11.259 9.155 ( 0.000 10.547 -9.230) 14.015 9.206 ( 0.000 -2.683 8.094) 8.527 9.343 ( 0.000 -3.883 -4.881) 6.237 9.774 ( 0.000 -8.535 10.370) 13.431 9.980 ( 0.000 -6.655 -9.444) 11.554 11.199 ( 0.000 19.258 34.161) 39.215 11.664 ( 0.000 44.969 -8.451) 45.756 11.705 ( 0.000 2.756 9.430) 9.825 11.827 ( 0.000 -0.135 0.743) 0.755 11.856 ( 0.000 34.680 0.500) 34.683 11.939 ( 0.000 22.192 -6.437) 23.107 12.358 ( 0.000 8.377 -3.632) 9.130 12.428 ( 0.000 4.332 5.992) 7.394 12.450 ( 0.000 0.931 -9.937) 9.981 12.698 ( 0.000 0.845 -20.836) 20.853 14.006 ( 0.000 6.925 4.603) 8.315 14.152 ( 0.000 2.398 -9.396) 9.697 14.863 ( 0.000 -10.623 0.098) 10.623 14.918 ( 0.000 -9.548 -5.170) 10.858 15.163 ( 0.000 10.676 15.971) 19.210 15.355 ( 0.000 -26.957 2.870) 27.109 15.410 ( 0.000 9.975 -8.758) 13.274 15.419 ( 0.000 -27.173 -3.274) 27.370 15.866 ( 0.000 -8.335 7.717) 11.359 15.976 ( 0.000 -6.657 -2.439) 7.090 16.732 ( 0.000 -1.548 6.018) 6.214 16.823 ( 0.000 2.255 -2.628) 3.462 16.991 ( 0.000 -13.656 16.368) 21.317 17.285 ( 0.000 -10.852 -10.855) 15.349 18.362 ( 0.000 10.723 1.032) 10.773 18.404 ( 0.000 7.231 -1.828) 7.459 18.457 ( 0.000 7.414 -7.348) 10.438 18.523 ( 0.000 7.623 -15.983) 17.708 19.453 ( 0.000 -5.873 3.503) 6.838 19.516 ( 0.000 -6.104 -2.598) 6.634 19.663 ( 0.000 -5.891 3.477) 6.840 19.715 ( 0.000 -6.321 -1.421) 6.479 22.904 ( 0.000 -7.609 22.466) 23.720 23.006 ( 0.000 -4.378 10.411) 11.294 23.199 ( 0.000 -2.042 -8.480) 8.722 23.264 ( 0.000 -8.149 -13.842) 16.062 ======================= Grid point 276 (92/108) ======================= q-point: ( 0.10 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 0.982 15.796 20.101) 25.583 2.350 ( 3.397 21.138 15.902) 26.669 2.579 ( 3.635 12.543 -12.653) 18.183 2.745 ( -5.024 19.451 -22.630) 30.261 3.343 ( -0.739 -12.153 0.955) 12.213 3.360 ( -0.743 -8.892 -0.647) 8.947 3.518 ( 6.230 7.995 11.535) 15.355 3.722 ( 1.964 -4.907 -3.505) 6.342 3.825 ( -0.336 2.858 9.151) 9.593 3.996 ( -1.102 3.315 -2.266) 4.164 4.003 ( 10.385 19.936 10.075) 24.633 4.142 ( 3.897 2.852 -3.249) 5.821 4.367 ( 1.254 1.111 -7.275) 7.466 4.474 ( 4.217 18.333 -11.413) 22.003 4.794 ( 2.558 11.317 11.683) 16.465 5.022 ( 0.129 15.247 -8.817) 17.613 5.116 ( 6.789 23.476 -0.759) 24.450 5.228 ( 6.205 16.171 -11.441) 20.758 5.869 ( -5.646 5.745 3.763) 8.891 5.923 ( -5.140 2.060 -1.937) 5.866 6.474 ( -6.571 -13.263 10.412) 18.097 6.605 ( -7.068 -14.807 0.387) 16.412 6.808 ( 2.956 -10.262 4.125) 11.449 6.908 ( 3.688 -2.566 11.930) 12.748 6.950 ( 4.749 -10.239 -7.163) 13.368 7.150 ( -0.719 -3.641 -10.151) 10.808 7.461 ( 3.004 -7.015 2.954) 8.183 7.518 ( 2.940 -10.127 -2.571) 10.854 8.620 ( -0.473 17.651 10.199) 20.391 8.744 ( 3.313 17.188 -1.610) 17.578 9.137 ( 8.647 4.088 2.647) 9.924 9.207 ( 13.356 2.789 -3.978) 14.212 9.440 ( 16.156 3.988 2.666) 16.853 9.493 ( 14.270 1.537 -0.929) 14.383 9.895 ( 14.477 -5.441 5.875) 16.544 10.043 ( 8.217 -5.795 -7.713) 12.673 11.190 ( -0.634 17.475 31.004) 35.595 11.600 ( -4.835 20.789 -5.650) 22.079 11.740 ( 2.505 28.221 4.544) 28.694 11.833 ( 0.330 8.602 -0.040) 8.609 11.906 ( 4.372 29.414 2.712) 29.861 11.969 ( 3.295 17.937 -2.100) 18.357 12.334 ( -1.764 8.923 -1.944) 9.301 12.441 ( 0.558 2.663 -3.395) 4.350 12.512 ( 7.099 5.380 -4.064) 9.791 12.751 ( 5.514 0.006 -20.427) 21.158 13.954 ( -5.201 7.040 3.524) 9.436 14.074 ( -7.621 2.673 -8.016) 11.379 14.844 ( -1.996 -8.837 1.905) 9.258 14.918 ( -0.250 -8.810 -5.364) 10.317 15.104 ( -4.568 3.776 15.017) 16.144 15.342 ( -3.313 -5.191 -8.836) 10.771 15.424 ( 5.137 -19.901 3.491) 20.848 15.500 ( 4.266 -12.101 -3.792) 13.380 15.856 ( -0.736 -8.134 7.115) 10.832 15.955 ( -1.745 -6.301 -1.980) 6.831 16.632 ( -9.640 -1.805 6.345) 11.681 16.733 ( -9.011 2.687 -3.123) 9.908 16.921 ( -6.374 -12.738 13.729) 19.783 17.164 ( -10.728 -7.213 -8.800) 15.638 17.862 ( -26.184 9.358 -0.805) 27.818 17.961 ( -20.314 7.667 -10.347) 24.051 18.615 ( -13.261 -7.776 4.176) 15.929 18.768 ( -14.278 -8.695 -9.776) 19.366 19.398 ( 16.951 6.116 4.155) 18.493 19.509 ( 26.457 5.027 -7.913) 28.069 20.083 ( 25.308 -7.859 1.939) 26.571 20.121 ( 25.296 -7.389 -1.396) 26.390 22.829 ( -6.956 -5.526 19.364) 21.304 22.979 ( -3.419 -5.082 9.928) 11.665 23.117 ( -7.675 -2.869 -8.510) 11.813 23.219 ( -4.981 -6.893 -11.194) 14.058 ======================= Grid point 277 (93/108) ======================= q-point: ( 0.20 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 6.133 16.404 13.739) 22.259 2.453 ( 6.701 14.595 7.898) 17.897 2.656 ( 2.072 12.332 -13.959) 18.741 2.708 ( 4.803 16.076 -11.567) 20.379 3.322 ( -1.174 -9.286 1.664) 9.507 3.363 ( 0.762 -9.158 -2.343) 9.484 3.560 ( -2.423 -0.074 8.479) 8.819 3.725 ( -1.302 -2.342 -3.264) 4.223 3.831 ( -0.482 2.635 4.974) 5.649 3.965 ( 0.353 -0.321 -0.973) 1.084 4.126 ( -4.814 -2.694 2.323) 5.985 4.240 ( 3.525 2.825 -1.510) 4.763 4.434 ( 12.974 14.453 8.254) 21.103 4.645 ( 8.179 13.535 -0.075) 15.815 4.894 ( 10.377 10.138 -3.175) 14.851 5.000 ( -4.334 3.257 -7.357) 9.139 5.307 ( 12.319 15.293 1.648) 19.707 5.400 ( 11.337 13.779 -6.739) 19.074 5.709 ( -9.707 4.432 4.075) 11.423 5.783 ( -8.702 2.174 -2.867) 9.417 6.436 ( 3.562 -4.797 2.255) 6.386 6.484 ( -2.832 -10.062 -1.962) 10.636 6.871 ( 2.450 -5.688 7.243) 9.530 6.952 ( 0.668 -2.834 4.701) 5.530 7.048 ( 4.709 -3.697 -3.001) 6.697 7.126 ( -1.647 0.691 -5.413) 5.701 7.540 ( 4.822 -6.133 3.601) 8.593 7.615 ( 6.578 -9.262 -3.773) 11.970 8.591 ( -1.980 13.702 8.796) 16.402 8.734 ( -3.369 14.673 -5.214) 15.932 9.274 ( 0.712 -2.788 4.280) 5.158 9.325 ( -2.109 -6.205 -0.598) 6.581 9.891 ( 28.268 9.066 2.801) 29.818 9.936 ( 30.983 9.005 -0.942) 32.279 10.316 ( 25.379 1.398 1.766) 25.478 10.373 ( 25.079 -2.393 -3.211) 25.397 11.192 ( 1.280 12.853 24.005) 27.259 11.506 ( -4.402 14.229 -3.557) 15.313 11.782 ( 0.650 24.097 1.871) 24.179 11.824 ( -0.525 17.484 1.346) 17.544 11.996 ( 4.851 42.099 1.040) 42.391 12.080 ( 6.813 11.160 -2.244) 13.266 12.317 ( 1.197 11.840 2.726) 12.209 12.480 ( 3.813 5.754 -5.416) 8.774 12.718 ( 14.266 6.814 -3.687) 16.234 12.923 ( 12.684 -0.608 -18.897) 22.768 13.821 ( -7.548 6.610 1.140) 10.098 13.885 ( -10.770 2.569 -5.011) 12.153 14.794 ( -2.514 -5.378 5.344) 7.988 14.899 ( -2.057 -6.274 -4.092) 7.768 15.010 ( -4.755 -1.360 12.825) 13.745 15.267 ( -4.946 -4.727 -11.259) 13.175 15.504 ( 2.360 -14.315 3.741) 14.983 15.567 ( 2.254 -11.881 -2.359) 12.321 15.853 ( 0.423 -9.626 5.363) 11.027 15.925 ( -1.418 -7.107 -1.219) 7.349 16.398 ( -13.058 -1.366 6.001) 14.436 16.494 ( -14.592 4.368 -3.162) 15.557 16.788 ( -6.250 -12.665 9.524) 17.034 16.946 ( -10.076 -4.545 -5.239) 12.232 17.446 ( -17.473 4.910 0.818) 18.168 17.577 ( -19.933 1.993 -11.689) 23.193 18.163 ( -26.495 -10.891 5.811) 29.230 18.299 ( -27.662 -9.900 -7.210) 30.251 19.938 ( 31.295 4.632 8.133) 32.664 20.149 ( 32.952 0.318 -13.359) 35.559 20.543 ( 21.903 -8.079 2.915) 23.527 20.600 ( 23.262 -7.354 -2.447) 24.519 22.657 ( -10.314 -2.662 14.750) 18.194 22.845 ( -10.945 -3.111 0.053) 11.379 22.938 ( -9.716 -4.279 0.064) 10.616 23.066 ( -10.592 -5.914 -7.720) 14.379 ======================= Grid point 278 (94/108) ======================= q-point: ( 0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 11.692 12.886 6.614) 18.614 2.592 ( 7.805 7.230 -0.949) 10.682 2.757 ( 9.240 13.461 -1.856) 16.432 2.865 ( 9.755 7.898 -8.657) 15.248 3.295 ( -2.279 -5.556 3.331) 6.868 3.366 ( -1.439 -4.622 -2.741) 5.563 3.477 ( -4.516 -2.021 6.954) 8.534 3.659 ( -4.914 -2.247 -10.242) 11.580 3.805 ( -1.951 0.015 8.496) 8.717 3.947 ( -5.992 -1.200 -4.896) 7.830 4.033 ( -0.981 -5.603 10.272) 11.742 4.224 ( -2.032 -2.803 -7.239) 8.024 4.579 ( -1.561 -1.986 9.681) 10.005 4.760 ( -3.170 -2.238 -5.084) 6.395 5.002 ( 13.849 11.322 8.565) 19.833 5.099 ( 2.008 -0.466 -3.363) 3.945 5.464 ( -0.085 -3.274 -2.833) 4.330 5.519 ( -1.531 1.992 -6.292) 6.775 5.652 ( 11.137 13.093 4.913) 17.878 5.761 ( 10.450 10.895 -5.700) 16.137 6.529 ( 6.812 0.892 2.412) 7.281 6.586 ( 9.745 3.950 -2.921) 10.913 6.881 ( -1.453 -1.945 6.637) 7.067 6.939 ( -1.816 1.390 2.299) 3.243 7.100 ( 0.548 3.922 -2.066) 4.467 7.123 ( 2.755 3.876 -3.873) 6.133 7.627 ( 3.122 -4.015 5.448) 7.453 7.738 ( 4.523 -6.687 -5.436) 9.733 8.555 ( -1.113 9.032 5.617) 10.694 8.658 ( -3.309 9.343 -4.181) 10.757 9.174 ( -8.901 -4.753 2.459) 10.386 9.217 ( -8.234 -6.424 -1.509) 10.552 10.379 ( 20.172 7.895 11.363) 24.461 10.558 ( 28.293 8.810 -2.945) 29.779 10.794 ( 21.251 5.003 5.604) 22.540 10.892 ( 24.634 -0.209 -0.872) 24.651 11.255 ( 5.902 6.528 12.398) 15.204 11.446 ( -0.924 13.277 1.764) 13.425 11.750 ( -2.498 7.143 -1.263) 7.672 11.835 ( 0.795 29.931 -3.111) 30.102 12.092 ( 4.747 42.296 0.030) 42.561 12.186 ( 4.608 24.946 -6.888) 26.286 12.394 ( 4.861 19.815 6.688) 21.471 12.577 ( 4.686 14.126 -10.233) 18.062 13.083 ( 23.243 3.859 1.449) 23.606 13.263 ( 22.017 2.128 -14.413) 26.401 13.709 ( -3.938 1.830 -0.127) 4.344 13.731 ( -0.171 1.314 -2.272) 2.631 14.749 ( -4.136 -2.170 8.727) 9.898 14.815 ( -5.252 -4.669 2.821) 7.572 14.956 ( -0.241 -6.418 1.843) 6.682 15.139 ( -7.802 -6.335 -11.128) 14.995 15.495 ( -3.960 -8.451 5.597) 10.883 15.574 ( -1.921 -9.421 -1.972) 9.815 15.798 ( -10.532 -9.417 2.301) 14.315 15.832 ( -10.252 -7.745 -0.836) 12.876 16.209 ( -4.596 -1.128 3.500) 5.886 16.254 ( -4.697 3.271 -1.092) 5.827 16.700 ( -2.628 -13.915 8.205) 16.366 16.805 ( -4.473 -5.301 -0.868) 6.990 17.142 ( -15.495 -0.013 -3.581) 15.903 17.188 ( -18.016 -1.659 -8.185) 19.858 17.662 ( -24.345 -10.036 4.688) 26.746 17.780 ( -24.263 -8.828 -6.921) 26.731 20.521 ( 27.852 -0.280 8.636) 29.162 20.724 ( 25.616 -3.817 -11.515) 28.343 20.938 ( 18.585 -8.522 4.205) 20.874 21.014 ( 19.001 -7.803 -3.160) 20.782 22.443 ( -11.200 -0.140 9.696) 14.815 22.583 ( -14.581 -0.298 -4.361) 15.222 22.735 ( -11.578 -4.796 3.222) 12.939 22.818 ( -14.432 -5.058 -4.576) 15.962 ======================= Grid point 279 (95/108) ======================= q-point: ( 0.40 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( 13.164 8.137 3.534) 15.874 2.779 ( 11.401 3.194 -0.043) 11.841 2.973 ( 11.349 7.882 1.595) 13.909 3.062 ( 8.486 2.149 -5.378) 10.274 3.204 ( -5.531 1.553 3.613) 6.787 3.277 ( -6.757 1.056 -2.596) 7.315 3.423 ( -2.043 -3.218 4.818) 6.143 3.529 ( -9.966 -1.568 -5.134) 11.320 3.773 ( 0.277 -2.482 5.926) 6.431 3.858 ( 0.069 -4.583 -1.661) 4.875 4.006 ( -3.429 -5.977 3.751) 7.846 4.123 ( -9.772 -3.757 -5.250) 11.712 4.558 ( 2.655 -7.086 6.943) 10.270 4.710 ( 2.152 -10.978 -7.254) 13.333 4.936 ( -12.658 -12.293 2.673) 17.846 5.088 ( -10.593 -9.542 -10.507) 17.710 5.542 ( 16.607 8.583 11.412) 21.902 5.731 ( 13.269 8.841 -6.135) 17.084 5.872 ( 8.462 7.079 4.140) 11.784 5.940 ( 4.190 5.154 -2.547) 7.114 6.665 ( 5.309 6.587 3.208) 9.048 6.733 ( 4.323 7.511 -3.149) 9.220 6.832 ( -3.452 3.568 4.475) 6.684 6.889 ( -3.030 5.479 -0.400) 6.274 7.204 ( 10.963 7.220 -1.429) 13.204 7.212 ( 8.281 8.443 -2.094) 12.010 7.616 ( -5.119 1.510 5.325) 7.539 7.722 ( -7.109 0.744 -5.050) 8.752 8.586 ( 5.035 1.856 3.560) 6.440 8.654 ( 3.555 1.170 -2.525) 4.514 8.975 ( -10.813 -4.799 1.000) 11.872 9.027 ( -10.706 -6.011 -3.706) 12.826 10.684 ( 12.043 6.451 18.793) 23.234 10.915 ( 6.467 7.301 15.406) 18.234 11.065 ( 7.855 6.034 -5.626) 11.391 11.171 ( 4.429 -2.368 4.640) 6.838 11.486 ( 13.848 10.184 1.615) 17.265 11.516 ( 9.183 4.961 2.726) 10.788 11.705 ( -1.858 11.911 -6.811) 13.846 11.847 ( -0.094 16.918 -8.258) 18.826 12.183 ( 4.814 41.453 0.462) 41.734 12.280 ( 4.838 35.916 -5.820) 36.705 12.428 ( -1.791 31.632 0.715) 31.691 12.582 ( -4.867 25.813 -13.827) 29.685 13.561 ( 22.989 -2.851 8.133) 24.551 13.721 ( 21.648 4.311 -7.065) 23.176 13.818 ( 16.171 4.826 4.325) 17.422 13.918 ( 18.548 0.540 -5.848) 19.455 14.574 ( -9.752 -5.222 8.563) 13.989 14.729 ( -7.145 -5.256 -5.811) 10.604 14.946 ( -4.666 -8.561 1.456) 9.858 15.019 ( -4.737 -10.199 -5.117) 12.355 15.324 ( -10.788 -0.276 7.316) 13.038 15.448 ( -15.226 1.398 -4.529) 15.947 15.510 ( -9.741 -9.612 2.135) 13.851 15.573 ( -11.657 -9.940 -3.461) 15.706 16.236 ( 6.083 -2.614 5.285) 8.472 16.312 ( 7.058 -3.817 -2.463) 8.393 16.628 ( -8.294 -7.605 6.257) 12.876 16.741 ( -6.970 -6.429 -1.810) 9.653 16.823 ( -7.803 -5.170 5.128) 10.673 16.987 ( -3.786 -7.657 -6.638) 10.818 17.253 ( -16.006 -9.137 2.028) 18.541 17.384 ( -16.338 -8.933 -9.387) 20.853 21.005 ( 21.381 -4.355 6.568) 22.787 21.139 ( 16.834 -6.334 -6.429) 19.101 21.253 ( 12.606 -9.828 3.872) 16.447 21.313 ( 10.100 -9.258 -2.028) 13.850 22.249 ( -7.430 2.000 5.546) 9.485 22.331 ( -9.465 1.317 -2.523) 9.884 22.484 ( -13.643 -3.030 0.808) 13.999 22.534 ( -13.649 -3.667 -3.405) 14.537 ======================= Grid point 280 (96/108) ======================= q-point: (-0.50 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( -7.673 4.082 4.415) 9.749 2.957 ( 7.673 4.082 4.415) 9.749 3.017 ( -6.772 1.506 -0.613) 6.965 3.017 ( 6.772 1.506 -0.613) 6.965 3.280 ( -8.947 0.002 1.981) 9.164 3.280 ( 8.947 0.002 1.981) 9.164 3.331 ( -5.295 2.926 -2.928) 6.721 3.331 ( 5.295 2.926 -2.928) 6.721 3.874 ( -9.081 -2.896 2.823) 9.941 3.874 ( 9.081 -2.896 2.823) 9.941 3.936 ( -6.312 -7.068 -2.235) 9.736 3.936 ( 6.312 -7.068 -2.235) 9.736 4.696 ( -10.185 -11.263 4.011) 15.706 4.696 ( 10.185 -11.263 4.011) 15.706 4.853 ( -10.689 -12.852 -10.539) 19.761 4.853 ( 10.689 -12.852 -10.539) 19.761 5.841 ( -9.709 6.040 7.221) 13.523 5.841 ( 9.709 6.040 7.221) 13.523 5.931 ( -1.886 5.286 -1.370) 5.777 5.931 ( 1.886 5.286 -1.370) 5.777 6.748 ( -4.303 7.633 2.762) 9.187 6.748 ( 4.303 7.633 2.762) 9.187 6.813 ( -4.563 7.822 -3.302) 9.639 6.813 ( 4.563 7.822 -3.302) 9.639 7.424 ( -8.935 6.876 3.180) 11.714 7.424 ( 8.935 6.876 3.180) 11.714 7.494 ( -11.917 6.665 -3.509) 14.098 7.494 ( 11.917 6.665 -3.509) 14.098 8.722 ( -4.993 -3.477 4.933) 7.833 8.722 ( 4.993 -3.477 4.933) 7.833 8.839 ( -4.872 -4.122 -6.584) 9.169 8.839 ( 4.872 -4.122 -6.584) 9.169 10.872 ( -7.290 5.724 22.203) 24.060 10.872 ( 7.290 5.724 22.203) 24.060 11.177 ( -3.284 3.047 -2.229) 5.004 11.177 ( 3.284 3.047 -2.229) 5.004 11.617 ( -4.017 8.762 0.960) 9.686 11.617 ( 4.017 8.762 0.960) 9.686 11.783 ( -7.526 8.444 -9.325) 14.659 11.783 ( 7.526 8.444 -9.325) 14.659 12.286 ( -5.238 40.891 2.604) 41.307 12.286 ( 5.238 40.891 2.604) 41.307 12.448 ( -6.478 32.390 -13.502) 35.685 12.448 ( 6.478 32.390 -13.502) 35.685 13.910 ( -9.306 3.383 12.127) 15.656 13.910 ( 9.306 3.383 12.127) 15.656 14.110 ( -7.910 1.725 -7.726) 11.190 14.110 ( 7.910 1.725 -7.726) 11.190 14.639 ( -11.303 -4.556 4.028) 12.835 14.639 ( 11.303 -4.556 4.028) 12.835 14.752 ( -8.743 -6.644 -6.616) 12.821 14.752 ( 8.743 -6.644 -6.616) 12.821 15.313 ( -4.589 -8.013 3.453) 9.859 15.313 ( 4.589 -8.013 3.453) 9.859 15.396 ( -2.569 -4.768 -4.203) 6.856 15.396 ( 2.569 -4.768 -4.203) 6.856 16.402 ( -9.671 -4.313 5.391) 11.883 16.402 ( 9.671 -4.313 5.391) 11.883 16.502 ( -10.094 -2.645 -4.350) 11.305 16.502 ( 10.094 -2.645 -4.350) 11.305 16.901 ( -7.498 -11.163 11.581) 17.747 16.901 ( 7.498 -11.163 11.581) 17.747 17.152 ( -6.361 -8.951 -12.726) 16.809 17.152 ( 6.361 -8.951 -12.726) 16.809 21.315 ( -7.773 -8.019 3.227) 11.625 21.315 ( 7.773 -8.019 3.227) 11.625 21.361 ( -3.047 -9.270 -1.107) 9.821 21.361 ( 3.047 -9.270 -1.107) 9.821 22.223 ( -4.953 1.356 4.893) 7.093 22.223 ( 4.953 1.356 4.893) 7.093 22.333 ( -4.310 -1.064 -5.743) 7.259 22.333 ( 4.310 -1.064 -5.743) 7.259 ======================= Grid point 286 (97/108) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 0.000 14.269 14.274) 20.183 2.730 ( 0.000 19.245 19.126) 27.132 2.758 ( 0.000 9.436 -11.131) 14.593 3.040 ( 0.000 -8.549 -2.492) 8.905 3.184 ( 0.000 -7.370 -4.796) 8.793 3.217 ( 0.000 11.289 -14.879) 18.677 3.497 ( 0.000 -12.573 8.582) 15.223 3.582 ( 0.000 -0.881 1.613) 1.838 3.891 ( 0.000 3.921 11.099) 11.771 4.097 ( 0.000 2.638 -2.469) 3.613 4.107 ( 0.000 2.304 -9.893) 10.158 4.178 ( 0.000 -5.872 -10.212) 11.779 4.558 ( 0.000 28.967 11.729) 31.251 4.807 ( 0.000 20.857 -11.956) 24.041 5.015 ( 0.000 10.602 12.450) 16.353 5.255 ( 0.000 3.864 -11.775) 12.393 5.521 ( 0.000 21.674 -0.724) 21.686 5.558 ( 0.000 18.716 -4.370) 19.219 5.955 ( 0.000 -4.549 0.199) 4.554 5.967 ( 0.000 -1.645 -1.030) 1.941 6.354 ( 0.000 -9.316 11.024) 14.433 6.421 ( 0.000 -8.074 12.208) 14.636 6.539 ( 0.000 -12.594 -7.498) 14.657 6.626 ( 0.000 -12.760 -7.849) 14.981 6.846 ( 0.000 2.571 13.027) 13.278 7.086 ( 0.000 -1.169 -10.275) 10.341 7.239 ( 0.000 -13.383 2.460) 13.607 7.285 ( 0.000 -9.486 -1.654) 9.629 8.884 ( 0.000 9.580 6.878) 11.794 8.922 ( 0.000 11.072 7.049) 13.126 9.138 ( 0.000 -4.531 7.729) 8.959 9.224 ( 0.000 10.635 3.814) 11.298 9.243 ( 0.000 -6.411 -1.113) 6.507 9.423 ( 0.000 15.332 -12.411) 19.725 9.604 ( 0.000 -9.211 10.303) 13.820 9.849 ( 0.000 -7.472 -12.089) 14.211 11.463 ( 0.000 10.552 29.693) 31.512 11.721 ( 0.000 -2.157 12.270) 12.458 11.831 ( 0.000 1.574 3.217) 3.581 11.908 ( 0.000 0.121 -7.511) 7.512 12.387 ( 0.000 6.697 -1.190) 6.801 12.454 ( 0.000 -0.216 -6.199) 6.203 12.514 ( 0.000 7.251 -13.679) 15.482 12.626 ( 0.000 9.364 -21.363) 23.325 12.855 ( 0.000 49.494 2.437) 49.554 12.932 ( 0.000 44.280 -6.003) 44.685 14.204 ( 0.000 13.500 2.133) 13.668 14.259 ( 0.000 8.647 -2.767) 9.079 14.581 ( 0.000 -25.219 1.884) 25.290 14.652 ( 0.000 -23.916 -4.723) 24.377 14.777 ( 0.000 -27.725 3.041) 27.891 14.852 ( 0.000 -26.301 -4.284) 26.648 15.368 ( 0.000 10.423 14.976) 18.246 15.591 ( 0.000 8.848 -7.881) 11.849 15.710 ( 0.000 -8.074 9.355) 12.358 15.859 ( 0.000 -5.744 -5.647) 8.055 16.678 ( 0.000 -3.118 12.135) 12.529 16.763 ( 0.000 -9.473 19.597) 21.767 16.875 ( 0.000 3.340 -6.413) 7.230 17.097 ( 0.000 -8.697 -12.060) 14.869 18.532 ( 0.000 5.888 -2.377) 6.350 18.544 ( 0.000 7.281 -2.582) 7.726 18.587 ( 0.000 5.921 -7.880) 9.857 18.643 ( 0.000 4.358 -12.859) 13.577 19.373 ( 0.000 -1.569 3.624) 3.949 19.428 ( 0.000 -2.471 -1.770) 3.039 19.539 ( 0.000 -6.789 2.385) 7.196 19.573 ( 0.000 -8.168 -0.679) 8.196 22.827 ( 0.000 -0.987 19.462) 19.487 22.920 ( 0.000 -4.389 13.183) 13.895 23.159 ( 0.000 -3.092 -13.472) 13.822 23.160 ( 0.000 -1.882 -10.339) 10.508 ======================= Grid point 287 (98/108) ======================= q-point: ( 0.10 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 1.861 14.482 13.105) 19.620 2.721 ( -0.262 14.836 4.449) 15.491 2.799 ( 3.327 12.645 0.119) 13.076 3.042 ( 0.108 -4.084 -5.789) 7.085 3.172 ( -3.315 9.048 -9.548) 13.566 3.182 ( -0.299 -7.373 -3.854) 8.325 3.522 ( 1.534 -11.472 7.044) 13.549 3.590 ( 0.555 -3.919 1.639) 4.284 3.883 ( -0.485 3.624 10.932) 11.528 4.047 ( -3.318 1.879 -5.246) 6.486 4.130 ( -0.832 -0.531 -5.274) 5.365 4.179 ( 0.286 -6.841 -10.507) 12.541 4.634 ( 7.420 28.447 12.927) 32.115 4.877 ( 6.197 19.802 -8.472) 22.412 5.006 ( -0.726 10.069 10.852) 14.821 5.238 ( -2.833 6.005 -11.711) 13.462 5.488 ( -2.354 13.880 0.429) 14.084 5.536 ( -0.521 13.297 -4.379) 14.009 5.906 ( -6.390 -6.885 2.425) 9.701 5.958 ( -3.396 -0.231 -2.498) 4.222 6.276 ( 0.402 -2.297 5.857) 6.304 6.363 ( -4.037 -5.823 -1.023) 7.159 6.612 ( 6.847 -10.087 4.363) 12.949 6.722 ( 6.065 -12.968 -5.590) 15.369 6.910 ( 5.853 3.007 11.212) 13.001 7.110 ( 2.308 0.224 -8.428) 8.741 7.280 ( 4.109 -12.613 2.248) 13.455 7.322 ( 3.730 -9.045 -1.637) 9.920 8.899 ( -2.793 11.830 10.783) 16.249 8.990 ( 5.650 9.171 2.030) 10.961 9.166 ( 3.614 -0.709 3.387) 5.004 9.211 ( 1.705 -3.651 0.065) 4.030 9.522 ( 21.551 5.846 3.935) 22.674 9.616 ( 19.266 9.662 -5.455) 22.233 9.780 ( 19.152 -6.559 4.177) 20.671 9.934 ( 11.043 -5.979 -9.618) 15.818 11.436 ( -2.419 10.365 28.131) 30.077 11.685 ( -3.192 -0.897 11.176) 11.657 11.849 ( 0.945 0.691 1.578) 1.965 11.926 ( 2.686 -0.505 -4.848) 5.565 12.386 ( 0.610 8.598 -1.439) 8.739 12.477 ( 0.506 2.415 -9.168) 9.495 12.566 ( 6.970 3.607 -10.988) 13.503 12.662 ( 3.612 7.699 -19.065) 20.876 12.886 ( 3.100 49.392 2.256) 49.541 12.959 ( 2.779 43.724 -5.730) 44.185 14.166 ( -3.681 14.296 1.017) 14.798 14.199 ( -5.679 9.447 -1.811) 11.170 14.588 ( 0.377 -22.340 2.050) 22.437 14.656 ( 0.473 -23.251 -4.455) 23.678 14.788 ( 0.566 -26.049 4.133) 26.381 14.872 ( 1.709 -26.146 -4.338) 26.559 15.377 ( 0.906 8.543 13.377) 15.898 15.584 ( -0.689 7.924 -7.598) 11.000 15.704 ( -0.696 -7.923 8.738) 11.815 15.843 ( -1.607 -5.657 -5.073) 7.767 16.583 ( -9.122 -2.451 12.443) 15.622 16.698 ( -6.246 -9.527 17.902) 21.219 16.795 ( -7.999 3.657 -6.882) 11.168 17.018 ( -7.620 -7.669 -11.775) 15.985 18.047 ( -27.629 10.108 -0.540) 29.425 18.144 ( -24.169 11.088 -9.553) 28.255 18.444 ( -22.574 -9.911 2.593) 24.790 18.582 ( -20.694 -10.745 -10.045) 25.389 19.544 ( 22.361 9.002 3.338) 24.335 19.627 ( 26.907 7.399 -5.368) 28.417 19.917 ( 24.653 -9.442 2.009) 26.476 19.963 ( 25.610 -9.018 -2.159) 27.237 22.778 ( -4.917 -0.154 17.623) 18.297 22.887 ( -3.545 -4.616 12.215) 13.531 23.073 ( -7.310 -1.275 -11.179) 13.418 23.123 ( -5.017 -3.595 -10.632) 12.294 ======================= Grid point 288 (99/108) ======================= q-point: ( 0.20 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 5.302 14.356 8.467) 17.490 2.725 ( 0.708 12.261 -0.876) 12.313 2.876 ( 4.591 11.532 0.842) 12.441 3.031 ( -1.024 11.318 -10.837) 15.703 3.136 ( 0.395 -5.380 1.482) 5.595 3.191 ( 1.431 -6.844 -3.556) 7.844 3.512 ( -2.993 -6.729 5.379) 9.120 3.592 ( -0.821 -10.465 -1.684) 10.631 3.883 ( 0.241 2.483 9.983) 10.290 3.971 ( -4.186 0.673 -1.335) 4.445 4.064 ( -5.418 -2.726 -1.876) 6.349 4.174 ( -1.176 -5.884 -10.753) 12.314 4.727 ( -3.528 13.517 16.459) 21.588 4.959 ( 1.981 17.190 3.383) 17.632 5.046 ( 1.989 4.150 3.446) 5.749 5.140 ( -2.903 9.131 -12.960) 16.117 5.464 ( -1.333 3.507 0.709) 3.818 5.569 ( 3.412 5.591 -6.815) 9.452 5.747 ( -6.443 -4.203 3.768) 8.566 5.844 ( -3.131 0.651 -4.533) 5.547 6.391 ( 8.600 3.594 1.249) 9.404 6.430 ( 11.092 5.301 -2.268) 12.501 6.741 ( 5.829 -7.828 5.426) 11.166 6.834 ( 5.260 -9.606 -3.466) 11.487 7.044 ( 7.319 3.784 6.859) 10.720 7.165 ( 3.193 3.660 -4.941) 6.928 7.394 ( 7.173 -10.308 1.309) 12.626 7.422 ( 6.428 -9.303 -1.230) 11.375 8.827 ( -4.451 11.125 9.397) 15.228 8.972 ( -5.576 10.089 -4.701) 12.449 9.187 ( -4.176 -8.035 3.754) 9.803 9.214 ( -2.160 -3.781 1.060) 4.482 10.055 ( 29.318 7.827 3.303) 30.524 10.100 ( 29.855 7.930 -0.390) 30.893 10.293 ( 30.263 -3.248 -0.075) 30.437 10.337 ( 27.959 -2.144 -4.120) 28.342 11.383 ( -2.659 8.983 26.211) 27.835 11.616 ( -3.623 0.376 13.553) 14.034 11.856 ( 0.617 2.926 -5.748) 6.480 12.023 ( 5.669 -1.638 -11.210) 12.668 12.419 ( 4.037 10.811 1.898) 11.695 12.536 ( 7.115 5.010 -3.401) 9.343 12.745 ( 9.382 2.650 -13.703) 16.817 12.790 ( 11.396 5.642 -11.680) 17.266 12.971 ( 5.565 48.321 2.146) 48.688 13.046 ( 6.641 38.520 -6.017) 39.549 14.060 ( -7.993 13.621 0.163) 15.794 14.072 ( -5.511 17.678 -1.353) 18.566 14.590 ( 0.083 -18.210 3.043) 18.463 14.670 ( 0.878 -21.517 -4.730) 22.048 14.773 ( -2.651 -21.957 7.002) 23.198 14.894 ( -0.224 -24.831 -5.389) 25.411 15.392 ( 0.101 3.720 9.859) 10.537 15.562 ( -1.762 5.496 -6.766) 8.894 15.681 ( -1.821 -8.315 7.251) 11.181 15.802 ( -2.593 -6.045 -4.036) 7.718 16.367 ( -11.662 -0.981 12.454) 17.090 16.551 ( -7.765 -10.857 15.278) 20.288 16.587 ( -12.368 5.062 -7.528) 15.338 16.835 ( -10.016 -6.831 -10.680) 16.157 17.562 ( -22.030 7.306 1.416) 23.253 17.673 ( -24.187 7.736 -8.621) 26.817 17.948 ( -25.864 -11.243 4.313) 28.530 18.091 ( -26.805 -11.561 -8.908) 30.521 20.051 ( 26.839 7.171 5.711) 28.362 20.192 ( 28.342 4.157 -8.448) 29.865 20.378 ( 22.241 -9.060 3.309) 24.242 20.451 ( 23.638 -8.083 -3.624) 25.243 22.646 ( -8.288 1.355 13.492) 15.892 22.777 ( -7.775 -4.109 8.155) 11.993 22.886 ( -11.439 -0.747 -7.706) 13.813 22.969 ( -10.508 -4.288 -8.028) 13.901 ======================= Grid point 289 (100/108) ======================= q-point: ( 0.30 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 7.723 12.440 2.950) 14.937 2.760 ( 3.237 9.820 -0.556) 10.355 2.979 ( 5.752 7.942 0.649) 9.828 3.041 ( 2.652 9.303 -5.558) 11.157 3.164 ( 2.035 -6.328 3.133) 7.349 3.243 ( 3.290 -5.761 -4.430) 7.977 3.428 ( -4.440 -4.236 5.266) 8.086 3.546 ( -3.430 -10.148 -6.271) 12.413 3.846 ( -4.559 3.449 5.807) 8.149 3.919 ( -3.685 -1.344 -1.730) 4.287 3.936 ( -4.987 -2.636 8.545) 10.239 4.133 ( -3.245 -6.570 -9.482) 11.984 4.575 ( -8.101 2.926 12.169) 14.909 4.768 ( -14.018 1.444 0.587) 14.104 4.980 ( -12.145 -6.872 -2.983) 14.269 5.143 ( -7.093 -2.999 -11.282) 13.660 5.470 ( 8.682 9.268 9.744) 16.007 5.684 ( 10.812 11.420 -9.048) 18.144 5.794 ( 8.279 0.766 6.648) 10.645 5.911 ( 6.847 3.383 -4.276) 8.753 6.598 ( 11.237 6.351 2.949) 13.241 6.672 ( 11.751 5.262 -3.895) 13.452 6.827 ( 3.047 -3.801 5.232) 7.149 6.917 ( 2.942 -4.197 -2.914) 5.896 7.186 ( 7.604 7.011 2.832) 10.723 7.245 ( 5.505 7.555 -2.563) 9.693 7.529 ( 6.414 -6.306 2.223) 9.265 7.574 ( 8.398 -10.132 -2.107) 13.328 8.727 ( -5.563 8.959 5.802) 12.037 8.828 ( -8.230 8.303 -3.988) 12.353 9.058 ( -8.719 -7.665 2.113) 11.800 9.093 ( -9.010 -6.098 -1.078) 10.933 10.527 ( 18.842 7.676 11.522) 23.381 10.690 ( 26.216 4.389 0.813) 26.594 10.822 ( 22.056 -1.425 -2.017) 22.194 10.888 ( 23.957 -0.556 -2.245) 24.068 11.361 ( 2.192 6.319 22.811) 23.772 11.552 ( -2.385 0.174 18.854) 19.005 11.888 ( 1.917 7.181 -19.068) 20.466 12.058 ( -2.331 1.556 -21.985) 22.163 12.626 ( 16.548 12.985 8.573) 22.714 12.768 ( 15.877 11.176 -2.302) 19.553 12.953 ( 11.502 19.087 -2.924) 22.476 13.035 ( 10.336 27.524 -7.469) 30.334 13.123 ( 12.501 27.552 3.963) 30.514 13.281 ( 19.347 11.663 -11.400) 25.304 13.919 ( -4.960 17.637 2.629) 18.509 13.980 ( -2.458 20.406 -3.716) 20.887 14.603 ( 0.840 -15.233 3.505) 15.654 14.662 ( -6.666 -14.113 5.680) 16.609 14.699 ( 0.165 -22.743 -1.893) 22.822 14.836 ( -5.917 -21.262 -7.478) 23.303 15.356 ( -4.282 -2.151 8.234) 9.526 15.505 ( -4.641 1.103 -5.032) 6.934 15.602 ( -7.731 -9.519 3.784) 12.833 15.705 ( -9.217 -6.065 -3.844) 11.683 16.193 ( -4.196 0.369 10.711) 11.509 16.368 ( -8.128 6.510 -5.215) 11.646 16.437 ( -3.078 -11.927 13.242) 18.085 16.674 ( -5.579 -7.888 -8.014) 12.553 17.165 ( -19.963 3.133 -0.495) 20.213 17.227 ( -20.081 5.124 -5.619) 21.473 17.463 ( -23.704 -10.176 3.460) 26.027 17.590 ( -23.745 -10.698 -8.301) 27.335 20.546 ( 23.514 3.005 6.626) 24.613 20.691 ( 22.461 0.508 -7.539) 23.698 20.776 ( 18.471 -8.141 4.539) 20.689 20.866 ( 18.670 -7.395 -4.047) 20.485 22.467 ( -9.654 2.535 8.543) 13.138 22.582 ( -11.981 -0.520 0.026) 11.992 22.653 ( -11.892 -2.902 -0.565) 12.254 22.728 ( -13.745 -4.282 -4.967) 15.229 ======================= Grid point 290 (101/108) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( 6.585 5.504 1.829) 8.775 2.871 ( 7.793 6.943 0.717) 10.462 3.066 ( 1.715 -0.442 2.441) 3.016 3.102 ( -0.240 -0.799 -1.069) 1.356 3.202 ( 3.181 1.296 3.064) 4.603 3.296 ( 3.547 3.437 -4.985) 7.018 3.398 ( 1.642 -0.817 5.157) 5.473 3.487 ( -3.061 -3.304 -2.824) 5.317 3.745 ( -4.426 0.968 4.038) 6.069 3.788 ( -3.969 -2.168 0.362) 4.537 3.894 ( -3.342 -5.510 3.809) 7.486 4.014 ( -9.873 -7.491 -5.273) 13.468 4.486 ( -0.793 -1.086 4.508) 4.704 4.567 ( -3.833 -3.893 -1.390) 5.637 4.727 ( -12.182 -7.845 -3.215) 14.842 4.883 ( -14.789 -10.779 -13.750) 22.891 5.736 ( 14.235 10.347 10.580) 20.534 5.898 ( 9.134 7.885 -4.322) 12.817 5.952 ( 6.572 0.882 5.353) 8.521 6.015 ( 2.269 2.176 -0.532) 3.189 6.776 ( 6.408 5.187 2.084) 8.504 6.832 ( 4.461 3.387 -2.431) 6.106 6.870 ( 1.395 0.546 2.413) 2.841 6.941 ( -0.489 -0.211 -3.200) 3.244 7.369 ( 11.103 10.070 1.215) 15.039 7.396 ( 10.057 9.557 -1.249) 13.930 7.622 ( 1.944 -1.402 3.827) 4.516 7.691 ( 1.825 -4.378 -2.821) 5.518 8.639 ( -2.138 4.014 2.684) 5.281 8.695 ( -4.211 3.316 -2.243) 5.810 8.869 ( -9.830 -6.274 -0.104) 11.662 8.900 ( -10.107 -6.887 -2.738) 12.533 10.807 ( 10.914 6.776 18.597) 22.603 11.025 ( 7.047 2.721 12.910) 14.958 11.094 ( 4.233 -3.279 11.198) 12.412 11.134 ( 6.009 1.646 -2.767) 6.817 11.555 ( 11.746 1.034 3.976) 12.443 11.577 ( 9.311 1.251 6.346) 11.337 11.868 ( -4.853 5.790 -21.861) 23.129 11.981 ( -5.102 1.037 -21.204) 21.834 12.944 ( 12.966 30.763 4.479) 33.682 13.043 ( 9.631 29.773 -4.198) 31.572 13.128 ( 6.025 38.812 0.745) 39.284 13.172 ( 3.192 40.000 -1.525) 40.156 13.512 ( 24.774 0.002 7.542) 25.896 13.719 ( 21.641 -0.550 -12.143) 24.821 13.982 ( 14.399 11.159 5.645) 19.072 14.083 ( 15.326 12.619 -4.074) 20.267 14.430 ( -14.592 -11.690 8.423) 20.507 14.565 ( -10.257 -14.527 -5.146) 18.512 14.711 ( 0.421 -18.656 -1.705) 18.739 14.734 ( -3.171 -16.039 -3.448) 16.709 15.217 ( -9.664 -7.229 8.873) 14.979 15.355 ( -10.983 -7.934 0.454) 13.557 15.380 ( -12.842 -6.048 -5.033) 15.061 15.435 ( -15.126 -3.902 -7.302) 17.244 16.223 ( 6.109 1.065 8.075) 10.181 16.317 ( 2.295 3.658 -0.168) 4.321 16.446 ( 3.383 -8.907 11.074) 14.609 16.619 ( -1.368 -7.062 -3.290) 7.909 16.801 ( -15.388 2.281 1.117) 15.596 16.894 ( -14.884 -0.595 -4.726) 15.627 17.066 ( -15.094 -10.031 0.243) 18.125 17.188 ( -17.178 -11.190 -9.613) 22.643 20.952 ( 17.648 -0.895 5.501) 18.507 21.053 ( 14.215 -2.304 -4.259) 15.017 21.085 ( 12.474 -7.475 4.376) 15.186 21.155 ( 9.895 -6.977 -2.366) 12.337 22.296 ( -6.877 2.868 4.179) 8.543 22.358 ( -9.311 1.442 -1.949) 9.621 22.428 ( -11.019 -2.834 0.492) 11.388 22.465 ( -12.102 -3.441 -3.077) 12.953 ======================= Grid point 291 (102/108) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( -4.360 0.105 2.912) 5.244 2.991 ( 4.360 0.105 2.912) 5.244 3.022 ( -3.846 -0.971 -0.315) 3.979 3.022 ( 3.846 -0.971 -0.315) 3.979 3.321 ( -6.784 5.260 6.680) 10.877 3.321 ( 6.784 5.260 6.680) 10.877 3.420 ( -3.768 4.698 -2.255) 6.430 3.420 ( 3.768 4.698 -2.255) 6.430 3.788 ( -8.062 -6.148 0.965) 10.185 3.788 ( 8.062 -6.148 0.965) 10.185 3.811 ( -2.906 -5.353 -1.778) 6.346 3.811 ( 2.906 -5.353 -1.778) 6.346 4.537 ( -6.230 -4.751 -0.099) 7.835 4.537 ( 6.230 -4.751 -0.099) 7.835 4.640 ( -9.083 -9.092 -9.380) 15.911 4.640 ( 9.083 -9.092 -9.380) 15.911 5.954 ( -6.831 5.306 6.368) 10.741 5.954 ( 6.831 5.306 6.368) 10.741 6.013 ( -0.532 2.817 0.820) 2.982 6.013 ( 0.532 2.817 0.820) 2.982 6.855 ( -2.092 3.875 1.312) 4.595 6.855 ( 2.092 3.875 1.312) 4.595 6.905 ( -2.827 2.027 -3.356) 4.834 6.905 ( 2.827 2.027 -3.356) 4.834 7.559 ( -5.412 6.674 3.238) 9.182 7.559 ( 5.412 6.674 3.238) 9.182 7.614 ( -7.418 4.865 -1.962) 9.085 7.614 ( 7.418 4.865 -1.962) 9.085 8.666 ( -2.503 -1.820 2.762) 4.148 8.666 ( 2.503 -1.820 2.762) 4.148 8.748 ( -2.097 -4.977 -5.213) 7.506 8.748 ( 2.097 -4.977 -5.213) 7.506 10.979 ( -6.903 5.762 21.032) 22.874 10.979 ( 6.903 5.762 21.032) 22.874 11.168 ( -1.945 -2.842 8.425) 9.102 11.168 ( 1.945 -2.842 8.425) 9.102 11.722 ( -8.663 3.811 -10.169) 13.892 11.722 ( 8.663 3.811 -10.169) 13.892 11.834 ( -10.416 -1.042 -15.422) 18.639 11.834 ( 10.416 -1.042 -15.422) 18.639 13.114 ( -4.923 42.698 2.093) 43.032 13.114 ( 4.923 42.698 2.093) 43.032 13.168 ( -2.391 37.935 -3.423) 38.164 13.168 ( 2.391 37.935 -3.423) 38.164 13.980 ( -16.842 1.229 9.613) 19.431 13.980 ( 16.842 1.229 9.613) 19.431 14.138 ( -9.505 -1.140 -5.956) 11.275 14.138 ( 9.505 -1.140 -5.956) 11.275 14.500 ( -17.678 -9.362 1.940) 20.098 14.500 ( 17.678 -9.362 1.940) 20.098 14.571 ( -17.958 -11.007 -3.896) 21.420 14.571 ( 17.958 -11.007 -3.896) 21.420 15.143 ( -6.903 -7.913 2.686) 10.839 15.143 ( 6.903 -7.913 2.686) 10.839 15.257 ( -3.482 -9.635 -7.983) 12.988 15.257 ( 3.482 -9.635 -7.983) 12.988 16.357 ( -3.531 0.875 9.099) 9.799 16.357 ( 3.531 0.875 9.099) 9.799 16.516 ( -5.644 2.420 -4.836) 7.816 16.516 ( 5.644 2.420 -4.836) 7.816 16.697 ( -4.672 -8.163 10.865) 14.371 16.697 ( 4.672 -8.163 10.865) 14.371 16.956 ( -4.840 -11.340 -12.846) 17.805 16.956 ( 4.840 -11.340 -12.846) 17.805 21.192 ( -4.690 -4.486 2.497) 6.954 21.192 ( 4.690 -4.486 2.497) 6.954 21.215 ( -1.238 -5.668 0.336) 5.811 21.215 ( 1.238 -5.668 0.336) 5.811 22.250 ( -2.776 1.431 2.146) 3.789 22.250 ( 2.776 1.431 2.146) 3.789 22.308 ( -2.366 -1.519 -3.456) 4.456 22.308 ( 2.366 -1.519 -3.456) 4.456 ======================= Grid point 297 (103/108) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( 0.000 -13.988 8.390) 16.312 2.774 ( 0.000 13.988 8.390) 16.312 2.909 ( 0.000 -5.118 -3.043) 5.955 2.909 ( 0.000 5.118 -3.043) 5.955 3.216 ( 0.000 -14.037 9.773) 17.104 3.216 ( 0.000 14.037 9.773) 17.104 3.476 ( 0.000 -10.567 -12.046) 16.024 3.476 ( 0.000 10.567 -12.046) 16.024 4.000 ( 0.000 -7.698 3.691) 8.537 4.000 ( 0.000 7.698 3.691) 8.537 4.135 ( 0.000 -0.494 -7.822) 7.838 4.135 ( 0.000 0.494 -7.822) 7.838 5.085 ( 0.000 -11.657 1.469) 11.750 5.085 ( 0.000 11.657 1.469) 11.749 5.090 ( 0.000 -15.479 1.164) 15.523 5.090 ( 0.000 15.479 1.164) 15.523 5.800 ( 0.000 -9.993 1.199) 10.065 5.800 ( 0.000 9.993 1.199) 10.065 5.847 ( 0.000 -10.852 -4.107) 11.603 5.847 ( 0.000 10.852 -4.107) 11.603 6.323 ( 0.000 -2.391 6.354) 6.789 6.323 ( 0.000 2.391 6.354) 6.789 6.437 ( 0.000 -4.255 -4.927) 6.510 6.437 ( 0.000 4.255 -4.927) 6.510 6.985 ( 0.000 -11.639 7.907) 14.070 6.985 ( 0.000 11.639 7.907) 14.070 7.132 ( 0.000 -5.872 -6.254) 8.579 7.132 ( 0.000 5.872 -6.254) 8.579 9.031 ( 0.000 -6.634 7.202) 9.792 9.031 ( 0.000 6.634 7.202) 9.792 9.104 ( 0.000 -8.181 3.062) 8.735 9.104 ( 0.000 8.181 3.062) 8.735 9.422 ( 0.000 -10.022 8.770) 13.317 9.422 ( 0.000 10.022 8.770) 13.317 9.678 ( 0.000 -10.977 -13.454) 17.364 9.678 ( 0.000 10.977 -13.454) 17.364 11.629 ( 0.000 -6.962 20.294) 21.455 11.629 ( 0.000 6.962 20.294) 21.455 11.877 ( 0.000 -2.569 -0.441) 2.606 11.877 ( 0.000 2.569 -0.441) 2.606 12.438 ( 0.000 -1.324 -3.557) 3.795 12.438 ( 0.000 1.324 -3.557) 3.795 12.625 ( 0.000 -3.928 -21.898) 22.248 12.625 ( 0.000 3.928 -21.898) 22.248 13.820 ( 0.000 -48.207 3.006) 48.301 13.820 ( 0.000 48.207 3.006) 48.301 13.887 ( 0.000 -48.471 -3.343) 48.586 13.887 ( 0.000 48.471 -3.343) 48.586 14.463 ( 0.000 -12.529 1.085) 12.576 14.463 ( 0.000 12.529 1.085) 12.576 14.496 ( 0.000 -16.137 -2.447) 16.321 14.496 ( 0.000 16.137 -2.447) 16.321 15.551 ( 0.000 -8.849 12.166) 15.043 15.551 ( 0.000 8.849 12.166) 15.043 15.742 ( 0.000 -6.946 -7.655) 10.337 15.742 ( 0.000 6.946 -7.655) 10.337 16.655 ( 0.000 -1.711 18.342) 18.421 16.655 ( 0.000 1.711 18.342) 18.421 16.959 ( 0.000 -5.744 -10.592) 12.049 16.959 ( 0.000 5.744 -10.592) 12.049 18.606 ( 0.000 -0.968 -3.468) 3.601 18.606 ( 0.000 0.968 -3.468) 3.601 18.667 ( 0.000 -1.932 -9.479) 9.674 18.667 ( 0.000 1.932 -9.479) 9.674 19.416 ( 0.000 -5.611 2.266) 6.052 19.416 ( 0.000 5.611 2.266) 6.052 19.442 ( 0.000 -4.142 -0.368) 4.158 19.442 ( 0.000 4.142 -0.368) 4.158 22.849 ( 0.000 -2.796 16.226) 16.465 22.849 ( 0.000 2.796 16.226) 16.465 23.136 ( 0.000 -0.342 -12.095) 12.099 23.136 ( 0.000 0.342 -12.095) 12.099 ======================= Grid point 299 (104/108) ======================= q-point: ( 0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 1.831 -13.871 7.164) 15.719 2.790 ( 1.831 13.871 7.164) 15.719 2.909 ( 0.076 -6.200 -3.157) 6.958 2.909 ( 0.076 6.200 -3.157) 6.958 3.242 ( 2.159 -14.690 7.788) 16.766 3.242 ( 2.159 14.690 7.788) 16.766 3.450 ( -2.749 -12.101 -10.128) 16.018 3.450 ( -2.749 12.101 -10.128) 16.018 3.978 ( -1.986 -6.558 4.652) 8.282 3.978 ( -1.986 6.558 4.652) 8.282 4.122 ( -1.315 -1.505 -8.053) 8.297 4.122 ( -1.315 1.505 -8.053) 8.297 5.073 ( -1.618 -6.796 6.917) 9.832 5.073 ( -1.618 6.796 6.917) 9.832 5.157 ( 5.535 -11.143 -1.161) 12.496 5.157 ( 5.535 11.143 -1.161) 12.496 5.693 ( -8.561 -9.380 1.546) 12.793 5.693 ( -8.561 9.380 1.546) 12.793 5.779 ( -5.935 -12.191 -7.006) 15.262 5.779 ( -5.935 12.191 -7.006) 15.262 6.394 ( 6.655 -6.668 4.982) 10.657 6.394 ( 6.655 6.668 4.982) 10.657 6.486 ( 4.976 -7.997 -3.989) 10.228 6.486 ( 4.976 7.997 -3.989) 10.228 7.042 ( 5.495 -10.728 7.179) 14.030 7.042 ( 5.495 10.728 7.179) 14.030 7.172 ( 3.900 -6.122 -5.421) 9.059 7.172 ( 3.900 6.122 -5.421) 9.059 9.084 ( -1.019 -6.726 7.311) 9.986 9.084 ( -1.019 6.726 7.311) 9.986 9.122 ( 4.258 -2.933 3.280) 6.123 9.122 ( 4.258 2.933 3.280) 6.123 9.649 ( 22.036 -6.983 4.109) 23.479 9.649 ( 22.036 6.983 4.109) 23.479 9.798 ( 14.588 -8.517 -9.526) 19.393 9.798 ( 14.588 8.517 -9.526) 19.393 11.603 ( -2.473 -7.005 21.037) 22.310 11.603 ( -2.473 7.005 21.037) 22.310 11.887 ( 1.333 -2.745 -2.162) 3.740 11.887 ( 1.333 2.745 -2.162) 3.740 12.473 ( 3.379 -2.366 -4.655) 6.219 12.473 ( 3.379 2.366 -4.655) 6.219 12.640 ( 2.010 -3.993 -19.572) 20.076 12.640 ( 2.010 3.993 -19.572) 20.076 13.832 ( 1.198 -42.057 3.265) 42.201 13.832 ( 1.198 42.057 3.265) 42.201 13.903 ( 1.691 -42.640 -3.567) 42.822 13.903 ( 1.691 42.640 -3.567) 42.822 14.459 ( -0.713 -13.263 1.652) 13.384 14.459 ( -0.713 13.263 1.652) 13.384 14.501 ( 0.534 -16.836 -2.944) 17.100 14.501 ( 0.534 16.836 -2.944) 17.100 15.547 ( -0.573 -8.576 11.459) 14.324 15.547 ( -0.573 8.576 11.459) 14.324 15.727 ( -1.487 -6.722 -7.301) 10.035 15.727 ( -1.487 6.722 -7.301) 10.035 16.578 ( -7.496 -2.742 18.122) 19.802 16.578 ( -7.496 2.742 18.122) 19.802 16.886 ( -7.261 -5.951 -11.146) 14.573 16.886 ( -7.261 5.951 -11.146) 14.573 18.246 ( -26.872 -10.580 1.082) 28.900 18.246 ( -26.872 10.580 1.082) 28.900 18.366 ( -23.919 -11.698 -9.856) 28.392 18.366 ( -23.919 11.698 -9.856) 28.392 19.728 ( 24.045 -9.705 2.447) 26.045 19.728 ( 24.045 9.705 2.447) 26.045 19.788 ( 26.350 -8.769 -3.416) 27.980 19.788 ( 26.350 8.769 -3.416) 27.980 22.810 ( -3.943 -3.190 14.949) 15.786 22.810 ( -3.943 3.190 14.949) 15.786 23.075 ( -6.130 -1.411 -11.196) 12.842 23.075 ( -6.130 1.411 -11.196) 12.842 ======================= Grid point 301 (105/108) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( 4.343 -12.844 3.795) 14.080 2.851 ( 4.343 12.844 3.795) 14.080 2.916 ( 0.833 -7.250 -2.020) 7.572 2.916 ( 0.833 7.250 -2.020) 7.572 3.280 ( 1.509 -14.187 2.815) 14.543 3.280 ( 1.509 14.187 2.815) 14.543 3.374 ( -4.692 -13.825 -5.763) 15.695 3.374 ( -4.692 13.825 -5.763) 15.695 3.934 ( -2.352 -3.178 6.092) 7.262 3.934 ( -2.352 3.178 6.092) 7.262 4.082 ( -2.948 -3.669 -7.411) 8.779 4.082 ( -2.948 3.669 -7.411) 8.779 4.950 ( -11.492 -9.366 14.686) 20.868 4.950 ( -11.492 9.366 14.686) 20.868 5.230 ( -3.025 -3.210 -11.820) 12.616 5.230 ( -3.025 3.210 -11.820) 12.616 5.553 ( -1.170 -9.606 7.574) 12.289 5.553 ( -1.170 9.606 7.574) 12.289 5.739 ( 3.577 -9.547 -9.149) 13.698 5.739 ( 3.577 9.547 -9.149) 13.698 6.555 ( 9.245 -8.067 3.499) 12.759 6.555 ( 9.245 8.067 3.499) 12.759 6.626 ( 8.910 -9.388 -3.155) 13.322 6.626 ( 8.910 9.388 -3.155) 13.322 7.180 ( 8.294 -10.056 5.096) 13.996 7.180 ( 8.294 10.056 5.096) 13.996 7.270 ( 5.884 -6.918 -3.640) 9.784 7.270 ( 5.884 6.918 -3.640) 9.784 9.021 ( -4.947 -9.349 7.553) 12.997 9.021 ( -4.947 9.349 7.553) 12.997 9.123 ( -4.673 -6.025 -2.429) 8.002 9.123 ( -4.673 6.025 -2.429) 8.002 10.175 ( 28.825 -3.552 4.208) 29.346 10.175 ( 28.825 3.552 4.208) 29.346 10.269 ( 30.730 -3.836 -4.789) 31.336 10.269 ( 30.730 3.836 -4.789) 31.336 11.542 ( -3.499 -7.100 23.427) 24.728 11.542 ( -3.499 7.100 23.427) 24.728 11.944 ( 4.436 -5.461 -11.079) 13.124 11.944 ( 4.436 5.461 -11.079) 13.124 12.562 ( 6.330 -3.493 -2.142) 7.540 12.562 ( 6.330 3.493 -2.142) 7.540 12.743 ( 9.778 -2.171 -15.113) 18.131 12.743 ( 9.778 2.171 -15.113) 18.131 13.866 ( 2.308 -30.631 4.159) 30.998 13.866 ( 2.308 30.631 4.159) 30.998 13.951 ( 3.165 -32.685 -4.208) 33.106 13.951 ( 3.165 32.684 -4.208) 33.106 14.424 ( -3.085 -15.464 3.705) 16.198 14.424 ( -3.085 15.464 3.705) 16.198 14.509 ( -0.102 -17.714 -5.280) 18.485 14.509 ( -0.102 17.714 -5.280) 18.485 15.520 ( -2.582 -7.938 10.023) 13.044 15.520 ( -2.582 7.938 10.023) 13.044 15.686 ( -2.849 -6.303 -6.814) 9.709 15.686 ( -2.849 6.303 -6.814) 9.709 16.396 ( -9.963 -4.730 17.455) 20.648 16.396 ( -9.963 4.730 17.455) 20.648 16.702 ( -10.615 -6.770 -11.686) 17.178 16.702 ( -10.615 6.770 -11.686) 17.178 17.723 ( -25.618 -8.851 4.216) 27.430 17.723 ( -25.618 8.851 4.216) 27.430 17.876 ( -25.337 -9.944 -9.895) 28.961 17.876 ( -25.337 9.944 -9.895) 28.961 20.204 ( 23.760 -8.663 4.233) 25.642 20.204 ( 23.760 8.663 4.233) 25.642 20.304 ( 25.235 -6.959 -5.482) 26.745 20.304 ( 25.235 6.959 -5.482) 26.745 22.698 ( -7.388 -3.792 11.525) 14.205 22.698 ( -7.388 3.792 11.525) 14.205 22.905 ( -11.077 -2.393 -8.776) 14.333 22.905 ( -11.077 2.393 -8.776) 14.333 ======================= Grid point 303 (106/108) ======================= q-point: ( 0.30 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( 2.815 -4.519 1.009) 5.419 2.939 ( 2.815 4.520 1.009) 5.419 2.951 ( 3.777 -7.096 0.086) 8.039 2.951 ( 3.777 7.096 0.086) 8.039 3.291 ( -2.218 -10.330 -0.321) 10.570 3.291 ( -2.218 10.330 -0.321) 10.570 3.317 ( 2.368 -11.432 -2.503) 11.940 3.317 ( 2.368 11.431 -2.503) 11.940 3.882 ( -3.386 -1.337 5.838) 6.880 3.882 ( -3.386 1.337 5.838) 6.880 4.001 ( -5.540 -6.613 -4.840) 9.892 4.001 ( -5.540 6.613 -4.840) 9.892 4.687 ( -13.284 -7.806 14.157) 20.924 4.687 ( -13.284 7.806 14.157) 20.924 5.006 ( -15.609 -7.677 -16.731) 24.135 5.006 ( -15.609 7.677 -16.731) 24.135 5.691 ( 11.118 -10.284 10.235) 18.279 5.691 ( 11.118 10.284 10.235) 18.279 5.873 ( 8.286 -6.872 -6.717) 12.689 5.873 ( 8.286 6.872 -6.717) 12.689 6.729 ( 7.979 -6.115 3.034) 10.501 6.729 ( 7.979 6.115 3.034) 10.501 6.798 ( 7.684 -7.214 -3.059) 10.974 6.798 ( 7.684 7.214 -3.059) 10.974 7.360 ( 10.133 -9.309 2.173) 13.930 7.360 ( 10.133 9.309 2.173) 13.930 7.399 ( 7.424 -6.550 -1.491) 10.012 7.399 ( 7.424 6.550 -1.491) 10.012 8.895 ( -7.721 -8.474 4.541) 12.331 8.895 ( -7.721 8.474 4.541) 12.331 8.974 ( -9.709 -6.425 -3.063) 12.039 8.974 ( -9.709 6.425 -3.063) 12.039 10.663 ( 19.603 -6.004 10.464) 23.018 10.663 ( 19.603 6.004 10.464) 23.018 10.846 ( 25.102 -3.343 -7.095) 26.299 10.846 ( 25.102 3.343 -7.095) 26.299 11.489 ( -0.923 -6.024 25.007) 25.739 11.489 ( -0.923 6.024 25.007) 25.739 12.012 ( 0.717 -5.280 -25.145) 25.704 12.012 ( 0.717 5.280 -25.145) 25.704 12.800 ( 19.923 -6.117 8.566) 22.533 12.800 ( 19.923 6.117 8.566) 22.533 13.040 ( 20.597 -6.474 -13.775) 25.611 13.040 ( 20.597 6.474 -13.775) 25.611 13.924 ( 3.652 -25.994 5.131) 26.747 13.924 ( 3.652 25.994 5.131) 26.747 14.015 ( 2.755 -29.923 -3.794) 30.288 14.015 ( 2.755 29.923 -3.794) 30.288 14.337 ( -5.522 -15.711 6.228) 17.779 14.337 ( -5.522 15.711 6.228) 17.780 14.491 ( -1.378 -16.140 -9.578) 18.818 14.491 ( -1.378 16.140 -9.578) 18.818 15.420 ( -8.316 -7.141 9.248) 14.341 15.420 ( -8.316 7.141 9.248) 14.341 15.594 ( -7.726 -5.384 -7.670) 12.145 15.594 ( -7.726 5.384 -7.670) 12.145 16.248 ( -3.710 -6.016 16.199) 17.674 16.248 ( -3.710 6.016 16.199) 17.674 16.521 ( -6.633 -7.972 -9.781) 14.255 16.521 ( -6.633 7.972 -9.781) 14.255 17.264 ( -21.482 -6.299 3.715) 22.692 17.264 ( -21.482 6.299 3.715) 22.692 17.397 ( -23.469 -8.209 -8.598) 26.308 17.397 ( -23.469 8.209 -8.598) 26.308 20.635 ( 20.171 -6.166 5.422) 21.779 20.635 ( 20.171 6.166 5.422) 21.779 20.746 ( 19.847 -4.817 -5.393) 21.123 20.746 ( 19.847 4.817 -5.393) 21.123 22.531 ( -9.452 -3.805 6.991) 12.357 22.531 ( -9.452 3.805 6.991) 12.357 22.660 ( -13.467 -2.655 -5.633) 14.838 22.660 ( -13.467 2.655 -5.633) 14.838 ======================= Grid point 305 (107/108) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( 1.465 -6.641 1.950) 7.075 2.977 ( 1.465 6.641 1.950) 7.075 3.003 ( 0.716 -6.966 -0.407) 7.015 3.003 ( 0.716 6.966 -0.407) 7.015 3.309 ( 4.717 -7.111 4.669) 9.727 3.309 ( 4.717 7.111 4.669) 9.727 3.406 ( 5.916 -5.424 -3.329) 8.689 3.406 ( 5.916 5.424 -3.329) 8.689 3.784 ( -6.651 -1.284 4.313) 8.030 3.784 ( -6.651 1.284 4.313) 8.030 3.866 ( -7.798 -6.116 -2.479) 10.216 3.866 ( -7.798 6.116 -2.479) 10.216 4.504 ( -4.380 -2.937 5.755) 7.806 4.504 ( -4.380 2.937 5.755) 7.806 4.713 ( -13.268 -5.878 -13.848) 20.059 4.713 ( -13.268 5.878 -13.848) 20.059 5.900 ( 9.316 -6.145 8.020) 13.743 5.900 ( 9.316 6.145 8.020) 13.743 6.007 ( 4.527 -3.167 -1.730) 5.789 6.007 ( 4.527 3.167 -1.730) 5.789 6.849 ( 4.351 -2.074 1.318) 4.997 6.849 ( 4.351 2.074 1.318) 4.997 6.899 ( 2.545 -3.317 -2.885) 5.079 6.899 ( 2.545 3.317 -2.885) 5.079 7.549 ( 8.054 -5.019 1.086) 9.552 7.549 ( 8.054 5.018 1.086) 9.552 7.559 ( 8.439 -7.880 0.162) 11.547 7.559 ( 8.439 7.880 0.162) 11.547 8.740 ( -7.181 -6.088 1.163) 9.486 8.740 ( -7.181 6.088 1.163) 9.486 8.782 ( -8.990 -5.089 -2.648) 10.665 8.782 ( -8.990 5.089 -2.648) 10.665 10.941 ( 9.998 -6.990 16.344) 20.395 10.941 ( 9.998 6.990 16.344) 20.395 11.128 ( 3.330 -2.258 4.655) 6.153 11.128 ( 3.330 2.258 4.655) 6.153 11.574 ( 10.071 -0.986 6.061) 11.795 11.574 ( 10.071 0.986 6.061) 11.795 11.952 ( -6.272 -3.256 -24.577) 25.573 11.952 ( -6.272 3.256 -24.577) 25.572 13.290 ( 27.027 -4.982 9.127) 28.958 13.290 ( 27.027 4.982 9.127) 28.958 13.494 ( 23.019 -6.367 -10.624) 26.140 13.494 ( 23.019 6.367 -10.624) 26.140 13.981 ( -0.565 -30.563 2.766) 30.693 13.981 ( -0.565 30.563 2.766) 30.693 14.019 ( -3.354 -33.650 -1.022) 33.832 14.019 ( -3.354 33.650 -1.022) 33.832 14.259 ( 0.930 -9.366 9.564) 13.419 14.259 ( 0.930 9.366 9.564) 13.419 14.486 ( 1.128 -7.398 -12.569) 14.628 14.486 ( 1.128 7.398 -12.569) 14.628 15.199 ( -12.796 -5.635 6.640) 15.479 15.199 ( -12.796 5.635 6.640) 15.479 15.361 ( -15.377 -2.852 -8.615) 17.855 15.361 ( -15.377 2.852 -8.615) 17.855 16.278 ( 6.333 -4.794 13.796) 15.918 16.278 ( 6.333 4.794 13.796) 15.918 16.470 ( 0.899 -7.834 -3.077) 8.464 16.470 ( 0.899 7.834 -3.077) 8.464 16.893 ( -16.076 -7.159 -0.283) 17.600 16.893 ( -16.076 7.159 -0.283) 17.600 16.986 ( -17.923 -8.887 -7.621) 21.408 16.986 ( -17.923 8.887 -7.621) 21.408 20.977 ( 14.396 -3.578 4.845) 15.605 20.977 ( 14.396 3.578 4.845) 15.605 21.059 ( 11.519 -2.820 -2.992) 12.231 21.059 ( 11.519 2.820 -2.992) 12.231 22.353 ( -7.849 -2.702 2.600) 8.699 22.353 ( -7.849 2.702 2.600) 8.699 22.411 ( -11.065 -1.926 -2.915) 11.604 22.411 ( -11.065 1.926 -2.915) 11.604 ======================= Grid point 307 (108/108) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( -0.737 -0.976 0.818) 1.471 2.998 ( 0.554 -0.945 0.818) 1.367 2.998 ( -0.554 0.945 0.818) 1.367 2.998 ( 0.737 0.976 0.818) 1.471 3.436 ( -5.161 -4.274 5.835) 8.886 3.436 ( 2.681 -3.661 5.835) 7.392 3.436 ( -2.681 3.661 5.835) 7.392 3.436 ( 5.161 4.274 5.835) 8.886 3.730 ( -4.265 -1.807 -2.823) 5.424 3.730 ( -3.169 1.107 -2.823) 4.386 3.730 ( 3.169 -1.107 -2.823) 4.386 3.730 ( 4.265 1.807 -2.823) 5.424 4.522 ( -5.673 -2.919 -5.479) 8.410 4.522 ( -0.869 -0.812 -5.479) 5.607 4.522 ( 0.869 0.812 -5.480) 5.607 4.522 ( 5.673 2.919 -5.480) 8.410 6.025 ( -2.953 -1.695 3.941) 5.208 6.025 ( 2.141 -1.356 3.941) 4.685 6.025 ( -2.141 1.356 3.941) 4.685 6.025 ( 2.953 1.695 3.941) 5.208 6.906 ( -1.112 -1.443 -1.455) 2.331 6.906 ( 0.042 -1.332 -1.455) 1.973 6.906 ( -0.042 1.332 -1.455) 1.973 6.906 ( 1.112 1.443 -1.455) 2.331 7.647 ( -0.643 -1.759 1.188) 2.218 7.647 ( 0.642 -1.759 1.188) 2.218 7.647 ( -0.642 1.759 1.188) 2.218 7.647 ( 0.643 1.759 1.188) 2.218 8.671 ( -1.093 -2.448 -1.599) 3.122 8.671 ( 0.914 -2.430 -1.599) 3.049 8.671 ( -0.914 2.430 -1.599) 3.049 8.671 ( 1.093 2.448 -1.599) 3.122 11.087 ( -5.370 -5.287 16.453) 18.097 11.087 ( 5.279 -5.264 16.453) 18.064 11.087 ( -5.279 5.264 16.453) 18.064 11.087 ( 5.370 5.287 16.453) 18.097 11.788 ( -10.255 -3.162 -14.961) 18.412 11.788 ( -9.991 2.943 -14.961) 18.229 11.788 ( 9.991 -2.943 -14.961) 18.229 11.788 ( 10.255 3.162 -14.961) 18.412 13.719 ( -10.979 -5.185 3.927) 12.761 13.719 ( -4.253 -1.128 3.927) 5.897 13.719 ( 4.253 1.128 3.927) 5.898 13.719 ( 10.979 5.185 3.927) 12.761 13.906 ( -4.212 -12.719 -2.708) 13.669 13.906 ( 3.135 -12.641 -2.708) 13.303 13.906 ( -3.135 12.641 -2.708) 13.303 13.906 ( 4.212 12.719 -2.708) 13.669 14.426 ( -10.392 -3.431 1.050) 10.993 14.426 ( -10.352 3.400 1.050) 10.947 14.426 ( 10.352 -3.400 1.050) 10.947 14.426 ( 10.392 3.431 1.050) 10.994 15.098 ( -6.870 -4.294 -5.018) 9.529 15.098 ( 6.846 -4.285 -5.018) 9.509 15.098 ( -6.846 4.285 -5.018) 9.509 15.098 ( 6.870 4.294 -5.018) 9.529 16.442 ( -6.309 -6.831 11.335) 14.661 16.442 ( 0.843 -6.073 11.335) 12.887 16.442 ( -0.843 6.073 11.335) 12.887 16.442 ( 6.309 6.831 11.335) 14.661 16.743 ( -3.221 -9.769 -9.549) 14.036 16.743 ( 1.723 -9.674 -9.549) 13.702 16.743 ( -1.723 9.674 -9.549) 13.702 16.743 ( 3.221 9.769 -9.549) 14.036 21.154 ( -2.487 -0.595 1.542) 2.986 21.154 ( -2.347 0.430 1.542) 2.841 21.154 ( 2.347 -0.430 1.542) 2.841 21.154 ( 2.487 0.595 1.542) 2.986 22.278 ( -1.421 -1.546 -0.733) 2.224 22.278 ( 1.261 -1.511 -0.733) 2.100 22.278 ( -1.261 1.511 -0.733) 2.100 22.278 ( 1.421 1.546 -0.733) 2.224 =================== 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 3/36000 10.0 5259.790 8409.636 5095.114 0.000 0.000 -0.000 3/36000 20.0 1961.789 1914.830 1874.261 0.000 0.000 -0.000 3/36000 30.0 695.889 667.123 675.320 0.000 0.000 -0.000 3/36000 40.0 342.568 326.942 328.296 0.000 0.000 -0.000 3/36000 50.0 208.460 197.479 196.541 0.000 0.000 0.000 3/36000 60.0 143.508 135.027 133.149 0.000 0.000 0.000 3/36000 70.0 106.565 99.771 97.495 0.000 0.000 0.000 3/36000 80.0 83.205 77.659 75.241 0.000 0.000 0.000 3/36000 90.0 67.339 62.752 60.314 0.000 0.000 0.000 3/36000 100.0 56.004 52.170 49.769 0.000 0.000 0.000 3/36000 110.0 47.596 44.361 42.019 0.000 0.000 0.000 3/36000 120.0 41.176 38.418 36.146 0.000 0.000 0.000 3/36000 130.0 36.155 33.780 31.580 0.000 0.000 0.000 3/36000 140.0 32.149 30.085 27.954 0.000 0.000 0.000 3/36000 150.0 28.898 27.085 25.022 0.000 0.000 0.000 3/36000 160.0 26.220 24.612 22.614 0.000 0.000 0.000 3/36000 170.0 23.984 22.544 20.608 0.000 0.000 0.000 3/36000 180.0 22.094 20.792 18.916 0.000 0.000 0.000 3/36000 190.0 20.480 19.292 17.473 0.000 0.000 0.000 3/36000 200.0 19.088 17.996 16.231 0.000 0.000 0.000 3/36000 210.0 17.877 16.864 15.152 0.000 0.000 0.000 3/36000 220.0 16.814 15.869 14.206 0.000 0.000 0.000 3/36000 230.0 15.874 14.987 13.372 0.000 0.000 0.000 3/36000 240.0 15.038 14.200 12.631 0.000 0.000 0.000 3/36000 250.0 14.290 13.494 11.969 0.000 0.000 0.000 3/36000 260.0 13.615 12.857 11.373 0.000 0.000 0.000 3/36000 270.0 13.005 12.279 10.836 0.000 0.000 0.000 3/36000 280.0 12.450 11.752 10.348 0.000 0.000 0.000 3/36000 290.0 11.943 11.271 9.903 0.000 0.000 0.000 3/36000 300.0 11.477 10.829 9.496 0.000 0.000 0.000 3/36000 310.0 11.049 10.421 9.122 0.000 0.000 0.000 3/36000 320.0 10.653 10.044 8.777 0.000 0.000 0.000 3/36000 330.0 10.285 9.694 8.458 0.000 0.000 0.000 3/36000 340.0 9.944 9.369 8.163 0.000 0.000 0.000 3/36000 350.0 9.626 9.066 7.888 0.000 0.000 0.000 3/36000 360.0 9.328 8.782 7.631 0.000 0.000 0.000 3/36000 370.0 9.049 8.516 7.391 0.000 0.000 0.000 3/36000 380.0 8.787 8.266 7.167 0.000 0.000 0.000 3/36000 390.0 8.541 8.031 6.956 0.000 0.000 0.000 3/36000 400.0 8.308 7.810 6.757 0.000 0.000 0.000 3/36000 410.0 8.089 7.600 6.570 0.000 0.000 0.000 3/36000 420.0 7.881 7.402 6.394 0.000 0.000 0.000 3/36000 430.0 7.684 7.215 6.227 0.000 0.000 0.000 3/36000 440.0 7.497 7.036 6.068 0.000 0.000 0.000 3/36000 450.0 7.319 6.867 5.918 0.000 0.000 0.000 3/36000 460.0 7.150 6.706 5.776 0.000 0.000 0.000 3/36000 470.0 6.989 6.553 5.640 0.000 0.000 0.000 3/36000 480.0 6.835 6.406 5.511 0.000 0.000 0.000 3/36000 490.0 6.688 6.266 5.387 0.000 0.000 0.000 3/36000 500.0 6.547 6.133 5.269 0.000 0.000 0.000 3/36000 510.0 6.412 6.005 5.157 0.000 0.000 0.000 3/36000 520.0 6.283 5.882 5.049 0.000 0.000 0.000 3/36000 530.0 6.159 5.764 4.946 0.000 0.000 0.000 3/36000 540.0 6.040 5.651 4.847 0.000 0.000 0.000 3/36000 550.0 5.925 5.543 4.752 0.000 0.000 0.000 3/36000 560.0 5.815 5.439 4.661 0.000 0.000 0.000 3/36000 570.0 5.709 5.338 4.573 0.000 0.000 0.000 3/36000 580.0 5.607 5.242 4.489 0.000 0.000 0.000 3/36000 590.0 5.509 5.149 4.408 0.000 0.000 0.000 3/36000 600.0 5.414 5.059 4.329 0.000 0.000 0.000 3/36000 610.0 5.322 4.972 4.254 0.000 0.000 0.000 3/36000 620.0 5.234 4.888 4.181 0.000 0.000 0.000 3/36000 630.0 5.148 4.808 4.111 0.000 0.000 0.000 3/36000 640.0 5.066 4.729 4.043 0.000 0.000 0.000 3/36000 650.0 4.985 4.654 3.977 0.000 0.000 0.000 3/36000 660.0 4.908 4.580 3.914 0.000 0.000 0.000 3/36000 670.0 4.833 4.510 3.852 0.000 0.000 0.000 3/36000 680.0 4.760 4.441 3.793 0.000 0.000 0.000 3/36000 690.0 4.689 4.374 3.735 0.000 0.000 0.000 3/36000 700.0 4.621 4.310 3.679 0.000 0.000 0.000 3/36000 710.0 4.554 4.247 3.625 0.000 0.000 0.000 3/36000 720.0 4.489 4.186 3.572 0.000 0.000 0.000 3/36000 730.0 4.426 4.127 3.521 0.000 0.000 0.000 3/36000 740.0 4.365 4.069 3.471 0.000 0.000 0.000 3/36000 750.0 4.306 4.013 3.423 0.000 0.000 0.000 3/36000 760.0 4.248 3.959 3.376 0.000 0.000 0.000 3/36000 770.0 4.192 3.906 3.331 0.000 0.000 0.000 3/36000 780.0 4.137 3.855 3.286 0.000 0.000 0.000 3/36000 790.0 4.084 3.805 3.243 0.000 0.000 0.000 3/36000 800.0 4.032 3.756 3.201 0.000 0.000 0.000 3/36000 810.0 3.981 3.708 3.160 0.000 0.000 0.000 3/36000 820.0 3.932 3.662 3.120 0.000 0.000 0.000 3/36000 830.0 3.884 3.617 3.081 0.000 0.000 0.000 3/36000 840.0 3.837 3.573 3.044 0.000 0.000 0.000 3/36000 850.0 3.791 3.530 3.007 0.000 0.000 0.000 3/36000 860.0 3.746 3.488 2.970 0.000 0.000 0.000 3/36000 870.0 3.703 3.447 2.935 0.000 0.000 0.000 3/36000 880.0 3.660 3.407 2.901 0.000 0.000 0.000 3/36000 890.0 3.618 3.368 2.867 0.000 0.000 0.000 3/36000 900.0 3.578 3.330 2.835 0.000 0.000 0.000 3/36000 910.0 3.538 3.292 2.802 0.000 0.000 0.000 3/36000 920.0 3.499 3.256 2.771 0.000 0.000 0.000 3/36000 930.0 3.461 3.220 2.741 0.000 0.000 0.000 3/36000 940.0 3.424 3.185 2.711 0.000 0.000 0.000 3/36000 950.0 3.387 3.151 2.681 0.000 0.000 0.000 3/36000 960.0 3.351 3.118 2.653 0.000 0.000 0.000 3/36000 970.0 3.317 3.085 2.625 0.000 0.000 0.000 3/36000 980.0 3.282 3.053 2.597 0.000 0.000 0.000 3/36000 990.0 3.249 3.022 2.570 0.000 0.000 0.000 3/36000 1000.0 3.216 2.991 2.544 0.000 0.000 0.000 3/36000 Thermal conductivity related properties were written into "kappa-m10105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:06:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|