----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:13:04]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [ 0. 0.5 -0.5] [0. 0.5 0.5] Spacegroup: Ama2 (40) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.356165579999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.429017119999999 2.514266559999999 c 0.000000000000000 -4.429017119999999 2.514266559999999 Atomic positions (fractional): *1 Si 0.06263257279937 0.66027899443961 0.33071290404680 28.085 2 Si 0.56263257279937 0.33071290404680 0.66027899443961 28.085 3 Si 0.43736742720063 0.66027899443961 0.33071290404680 28.085 4 Si 0.93736742720063 0.33071290404680 0.66027899443961 28.085 *5 O 0.00000000000000 0.40133385495101 0.40133385495101 15.999 *6 O 0.45987948688586 0.53481101237758 0.96964488127865 15.999 *7 O 0.75000000000000 0.41799622076231 0.73444048505035 15.999 8 O 0.54012051311414 0.96964488127865 0.53481101237758 15.999 9 O 0.25000000000000 0.73444048505035 0.41799622076231 15.999 10 O 0.95987948688586 0.96964488127865 0.53481101237758 15.999 11 O 0.50000000000000 0.40133385495101 0.40133385495101 15.999 12 O 0.04012051311414 0.53481101237758 0.96964488127865 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.356165579999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.858034239999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.028533119999999 Atomic positions (fractional): *1 Si 0.06263257279937 0.16478304519641 0.49549594924320 28.085 > 1 2 Si 0.56263257279937 0.33521695480359 0.99549594924320 28.085 > 2 3 Si 0.43736742720063 0.16478304519641 0.49549594924320 28.085 > 3 4 Si 0.93736742720063 0.33521695480359 0.99549594924320 28.085 > 4 5 Si 0.06263257279937 0.66478304519641 0.99549594924320 28.085 > 1 6 Si 0.56263257279937 0.83521695480359 0.49549594924320 28.085 > 2 7 Si 0.43736742720063 0.66478304519641 0.99549594924320 28.085 > 3 8 Si 0.93736742720063 0.83521695480359 0.49549594924320 28.085 > 4 *9 O 0.00000000000000 0.00000000000000 0.40133385495101 15.999 > 5 *10 O 0.45987948688586 0.28258306554946 0.25222794682811 15.999 > 6 *11 O 0.75000000000000 0.34177786785598 0.07621835290633 15.999 > 7 12 O 0.54012051311414 0.21741693445054 0.75222794682811 15.999 > 8 13 O 0.25000000000000 0.15822213214402 0.57621835290633 15.999 > 9 14 O 0.95987948688586 0.21741693445054 0.75222794682811 15.999 > 10 15 O 0.50000000000000 0.00000000000000 0.40133385495101 15.999 > 11 16 O 0.04012051311414 0.28258306554946 0.25222794682811 15.999 > 12 17 O 0.00000000000000 0.50000000000000 0.90133385495101 15.999 > 5 18 O 0.45987948688586 0.78258306554946 0.75222794682811 15.999 > 6 19 O 0.75000000000000 0.84177786785598 0.57621835290633 15.999 > 7 20 O 0.54012051311414 0.71741693445054 0.25222794682811 15.999 > 8 21 O 0.25000000000000 0.65822213214402 0.07621835290633 15.999 > 9 22 O 0.95987948688586 0.71741693445054 0.25222794682811 15.999 > 10 23 O 0.50000000000000 0.50000000000000 0.90133385495101 15.999 > 11 24 O 0.04012051311414 0.78258306554946 0.75222794682811 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.712331159999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.858034239999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.057066239999997 Atomic positions (fractional): *1 Si 0.03131628639969 0.16478304519641 0.24774797462160 28.085 > 1 2 Si 0.53131628639969 0.16478304519641 0.24774797462160 28.085 > 1 3 Si 0.03131628639969 0.16478304519641 0.74774797462160 28.085 > 1 4 Si 0.53131628639969 0.16478304519641 0.74774797462160 28.085 > 1 5 Si 0.28131628639969 0.33521695480359 0.49774797462160 28.085 > 2 6 Si 0.78131628639969 0.33521695480359 0.49774797462160 28.085 > 2 7 Si 0.28131628639969 0.33521695480359 0.99774797462160 28.085 > 2 8 Si 0.78131628639969 0.33521695480359 0.99774797462160 28.085 > 2 9 Si 0.21868371360031 0.16478304519641 0.24774797462160 28.085 > 3 10 Si 0.71868371360031 0.16478304519641 0.24774797462160 28.085 > 3 11 Si 0.21868371360031 0.16478304519641 0.74774797462160 28.085 > 3 12 Si 0.71868371360031 0.16478304519641 0.74774797462160 28.085 > 3 13 Si 0.46868371360031 0.33521695480359 0.49774797462160 28.085 > 4 14 Si 0.96868371360031 0.33521695480359 0.49774797462160 28.085 > 4 15 Si 0.46868371360031 0.33521695480359 0.99774797462160 28.085 > 4 16 Si 0.96868371360031 0.33521695480359 0.99774797462160 28.085 > 4 17 Si 0.03131628639969 0.66478304519641 0.49774797462160 28.085 > 1 18 Si 0.53131628639969 0.66478304519641 0.49774797462160 28.085 > 1 19 Si 0.03131628639969 0.66478304519641 0.99774797462160 28.085 > 1 20 Si 0.53131628639969 0.66478304519641 0.99774797462160 28.085 > 1 21 Si 0.28131628639969 0.83521695480359 0.24774797462160 28.085 > 2 22 Si 0.78131628639969 0.83521695480359 0.24774797462160 28.085 > 2 23 Si 0.28131628639969 0.83521695480359 0.74774797462160 28.085 > 2 24 Si 0.78131628639969 0.83521695480359 0.74774797462160 28.085 > 2 25 Si 0.21868371360031 0.66478304519641 0.49774797462160 28.085 > 3 26 Si 0.71868371360031 0.66478304519641 0.49774797462160 28.085 > 3 27 Si 0.21868371360031 0.66478304519641 0.99774797462160 28.085 > 3 28 Si 0.71868371360031 0.66478304519641 0.99774797462160 28.085 > 3 29 Si 0.46868371360031 0.83521695480359 0.24774797462160 28.085 > 4 30 Si 0.96868371360031 0.83521695480359 0.24774797462160 28.085 > 4 31 Si 0.46868371360031 0.83521695480359 0.74774797462160 28.085 > 4 32 Si 0.96868371360031 0.83521695480359 0.74774797462160 28.085 > 4 *33 O 0.00000000000000 0.00000000000000 0.20066692747551 15.999 > 5 34 O 0.50000000000000 0.00000000000000 0.20066692747551 15.999 > 5 35 O 0.00000000000000 0.00000000000000 0.70066692747551 15.999 > 5 36 O 0.50000000000000 0.00000000000000 0.70066692747551 15.999 > 5 *37 O 0.22993974344293 0.28258306554946 0.12611397341406 15.999 > 6 38 O 0.72993974344293 0.28258306554946 0.12611397341406 15.999 > 6 39 O 0.22993974344293 0.28258306554946 0.62611397341406 15.999 > 6 40 O 0.72993974344293 0.28258306554946 0.62611397341406 15.999 > 6 *41 O 0.37500000000000 0.34177786785598 0.03810917645317 15.999 > 7 42 O 0.87500000000000 0.34177786785598 0.03810917645317 15.999 > 7 43 O 0.37500000000000 0.34177786785598 0.53810917645317 15.999 > 7 44 O 0.87500000000000 0.34177786785598 0.53810917645317 15.999 > 7 45 O 0.27006025655707 0.21741693445054 0.37611397341406 15.999 > 8 46 O 0.77006025655707 0.21741693445054 0.37611397341406 15.999 > 8 47 O 0.27006025655707 0.21741693445054 0.87611397341406 15.999 > 8 48 O 0.77006025655707 0.21741693445054 0.87611397341406 15.999 > 8 49 O 0.12500000000000 0.15822213214402 0.28810917645317 15.999 > 9 50 O 0.62500000000000 0.15822213214402 0.28810917645317 15.999 > 9 51 O 0.12500000000000 0.15822213214402 0.78810917645317 15.999 > 9 52 O 0.62500000000000 0.15822213214402 0.78810917645317 15.999 > 9 53 O 0.47993974344293 0.21741693445054 0.37611397341406 15.999 > 10 54 O 0.97993974344293 0.21741693445054 0.37611397341406 15.999 > 10 55 O 0.47993974344293 0.21741693445054 0.87611397341406 15.999 > 10 56 O 0.97993974344293 0.21741693445054 0.87611397341406 15.999 > 10 57 O 0.25000000000000 0.00000000000000 0.20066692747551 15.999 > 11 58 O 0.75000000000000 0.00000000000000 0.20066692747551 15.999 > 11 59 O 0.25000000000000 0.00000000000000 0.70066692747551 15.999 > 11 60 O 0.75000000000000 0.00000000000000 0.70066692747551 15.999 > 11 61 O 0.02006025655707 0.28258306554946 0.12611397341406 15.999 > 12 62 O 0.52006025655707 0.28258306554946 0.12611397341406 15.999 > 12 63 O 0.02006025655707 0.28258306554946 0.62611397341406 15.999 > 12 64 O 0.52006025655707 0.28258306554946 0.62611397341406 15.999 > 12 65 O 0.00000000000000 0.50000000000000 0.45066692747551 15.999 > 5 66 O 0.50000000000000 0.50000000000000 0.45066692747551 15.999 > 5 67 O 0.00000000000000 0.50000000000000 0.95066692747551 15.999 > 5 68 O 0.50000000000000 0.50000000000000 0.95066692747551 15.999 > 5 69 O 0.22993974344293 0.78258306554946 0.37611397341406 15.999 > 6 70 O 0.72993974344293 0.78258306554946 0.37611397341406 15.999 > 6 71 O 0.22993974344293 0.78258306554946 0.87611397341406 15.999 > 6 72 O 0.72993974344293 0.78258306554946 0.87611397341406 15.999 > 6 73 O 0.37500000000000 0.84177786785598 0.28810917645317 15.999 > 7 74 O 0.87500000000000 0.84177786785598 0.28810917645317 15.999 > 7 75 O 0.37500000000000 0.84177786785598 0.78810917645317 15.999 > 7 76 O 0.87500000000000 0.84177786785598 0.78810917645317 15.999 > 7 77 O 0.27006025655707 0.71741693445054 0.12611397341406 15.999 > 8 78 O 0.77006025655707 0.71741693445054 0.12611397341406 15.999 > 8 79 O 0.27006025655707 0.71741693445054 0.62611397341406 15.999 > 8 80 O 0.77006025655707 0.71741693445054 0.62611397341406 15.999 > 8 81 O 0.12500000000000 0.65822213214402 0.03810917645317 15.999 > 9 82 O 0.62500000000000 0.65822213214402 0.03810917645317 15.999 > 9 83 O 0.12500000000000 0.65822213214402 0.53810917645317 15.999 > 9 84 O 0.62500000000000 0.65822213214402 0.53810917645317 15.999 > 9 85 O 0.47993974344293 0.71741693445054 0.12611397341406 15.999 > 10 86 O 0.97993974344293 0.71741693445054 0.12611397341406 15.999 > 10 87 O 0.47993974344293 0.71741693445054 0.62611397341406 15.999 > 10 88 O 0.97993974344293 0.71741693445054 0.62611397341406 15.999 > 10 89 O 0.25000000000000 0.50000000000000 0.45066692747551 15.999 > 11 90 O 0.75000000000000 0.50000000000000 0.45066692747551 15.999 > 11 91 O 0.25000000000000 0.50000000000000 0.95066692747551 15.999 > 11 92 O 0.75000000000000 0.50000000000000 0.95066692747551 15.999 > 11 93 O 0.02006025655707 0.78258306554946 0.37611397341406 15.999 > 12 94 O 0.52006025655707 0.78258306554946 0.37611397341406 15.999 > 12 95 O 0.02006025655707 0.78258306554946 0.87611397341406 15.999 > 12 96 O 0.52006025655707 0.78258306554946 0.87611397341406 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2081486 0.0000000 0.0000000 0.0000000 2.2023120 0.0000000 0.0000000 0.0000000 2.1984158 -------------------------- Born effective charges -------------------------- 1 Si 3.3453570 -0.0243393 0.2785041 -0.0051749 3.3198763 0.2174792 -0.2821874 -0.2672288 3.2975308 2 Si 3.3453570 0.0243393 0.2785041 0.0051749 3.3198763 -0.2174792 -0.2821874 0.2672288 3.2975308 3 Si 3.3453570 0.0243393 -0.2785041 0.0051749 3.3198763 0.2174792 0.2821874 -0.2672288 3.2975308 4 Si 3.3453570 -0.0243393 -0.2785041 -0.0051749 3.3198763 -0.2174792 0.2821874 0.2672288 3.2975308 5 O -1.2194964 -0.5923018 0.0000000 -0.5803134 -2.6894346 0.0000000 0.0000000 0.0000000 -1.0576100 6 O -1.2550977 -0.2919518 0.5162794 -0.2809377 -1.4690315 0.7359549 0.5121220 0.7565108 -2.2474622 7 O -2.9610222 -0.0000000 0.0000000 0.0000000 -1.0122550 0.0349778 0.0000000 -0.0315025 -1.0425274 8 O -1.2550977 -0.2919518 -0.5162794 -0.2809377 -1.4690315 -0.7359549 -0.5121220 -0.7565108 -2.2474622 9 O -2.9610222 -0.0000000 0.0000000 0.0000000 -1.0122550 -0.0349778 0.0000000 0.0315025 -1.0425274 10 O -1.2550977 0.2919518 0.5162794 0.2809377 -1.4690315 -0.7359549 0.5121220 -0.7565108 -2.2474622 11 O -1.2194964 0.5923018 0.0000000 0.5803134 -2.6894346 0.0000000 0.0000000 0.0000000 -1.0576100 12 O -1.2550977 0.2919518 -0.5162794 0.2809377 -1.4690315 0.7359549 -0.5121220 0.7565108 -2.2474622 ---------------------------------------------------------------------------- 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: 6768/6768 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1354 Number of blocks in projector: 1354 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: 280 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 166 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 166 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 166 Use standard eigh solver. Tree of FC basis block matrices: - (1354, 1326), data: False |-- (166, 162), data: True |-- (166, 162), data: True |-- (166, 162), data: True |-- (280, 276), 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: 1.491 Solver_block: 200 / 400 - Time: 1.514 Solver_block: 300 / 400 - Time: 1.512 Solver_block: 400 / 400 - Time: 1.505 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.055 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 6768/6768 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1354 Number of blocks in projector: 1354 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: 280 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 166 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 166 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 166 Use standard eigh solver. Tree of FC basis block matrices: - (1354, 1326), data: False |-- (166, 162), data: True |-- (166, 162), data: True |-- (166, 162), data: True |-- (280, 276), 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 2026-01-08 11:13:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:13:25]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [ 0. 0.5 -0.5] [0. 0.5 0.5] Spacegroup: Ama2 (40) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.356165579999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.429017119999999 2.514266559999999 c 0.000000000000000 -4.429017119999999 2.514266559999999 Atomic positions (fractional): 1 Si 0.06263257279937 0.66027899443961 0.33071290404680 28.085 2 Si 0.56263257279937 0.33071290404680 0.66027899443961 28.085 3 Si 0.43736742720063 0.66027899443961 0.33071290404680 28.085 4 Si 0.93736742720063 0.33071290404680 0.66027899443961 28.085 5 O 0.00000000000000 0.40133385495101 0.40133385495101 15.999 6 O 0.45987948688586 0.53481101237758 0.96964488127865 15.999 7 O 0.75000000000000 0.41799622076231 0.73444048505035 15.999 8 O 0.54012051311414 0.96964488127865 0.53481101237758 15.999 9 O 0.25000000000000 0.73444048505035 0.41799622076231 15.999 10 O 0.95987948688586 0.96964488127865 0.53481101237758 15.999 11 O 0.50000000000000 0.40133385495101 0.40133385495101 15.999 12 O 0.04012051311414 0.53481101237758 0.96964488127865 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.712331159999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.858034239999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.057066239999997 Atomic positions (fractional): 1 Si 0.03131628639969 0.16478304519641 0.24774797462160 28.085 > 1 2 Si 0.53131628639969 0.16478304519641 0.24774797462160 28.085 > 1 3 Si 0.03131628639969 0.16478304519641 0.74774797462160 28.085 > 1 4 Si 0.53131628639969 0.16478304519641 0.74774797462160 28.085 > 1 5 Si 0.28131628639969 0.33521695480359 0.49774797462160 28.085 > 5 6 Si 0.78131628639969 0.33521695480359 0.49774797462160 28.085 > 5 7 Si 0.28131628639969 0.33521695480359 0.99774797462160 28.085 > 5 8 Si 0.78131628639969 0.33521695480359 0.99774797462160 28.085 > 5 9 Si 0.21868371360031 0.16478304519641 0.24774797462160 28.085 > 9 10 Si 0.71868371360031 0.16478304519641 0.24774797462160 28.085 > 9 11 Si 0.21868371360031 0.16478304519641 0.74774797462160 28.085 > 9 12 Si 0.71868371360031 0.16478304519641 0.74774797462160 28.085 > 9 13 Si 0.46868371360031 0.33521695480359 0.49774797462160 28.085 > 13 14 Si 0.96868371360031 0.33521695480359 0.49774797462160 28.085 > 13 15 Si 0.46868371360031 0.33521695480359 0.99774797462160 28.085 > 13 16 Si 0.96868371360031 0.33521695480359 0.99774797462160 28.085 > 13 17 Si 0.03131628639969 0.66478304519641 0.49774797462160 28.085 > 1 18 Si 0.53131628639969 0.66478304519641 0.49774797462160 28.085 > 1 19 Si 0.03131628639969 0.66478304519641 0.99774797462160 28.085 > 1 20 Si 0.53131628639969 0.66478304519641 0.99774797462160 28.085 > 1 21 Si 0.28131628639969 0.83521695480359 0.24774797462160 28.085 > 5 22 Si 0.78131628639969 0.83521695480359 0.24774797462160 28.085 > 5 23 Si 0.28131628639969 0.83521695480359 0.74774797462160 28.085 > 5 24 Si 0.78131628639969 0.83521695480359 0.74774797462160 28.085 > 5 25 Si 0.21868371360031 0.66478304519641 0.49774797462160 28.085 > 9 26 Si 0.71868371360031 0.66478304519641 0.49774797462160 28.085 > 9 27 Si 0.21868371360031 0.66478304519641 0.99774797462160 28.085 > 9 28 Si 0.71868371360031 0.66478304519641 0.99774797462160 28.085 > 9 29 Si 0.46868371360031 0.83521695480359 0.24774797462160 28.085 > 13 30 Si 0.96868371360031 0.83521695480359 0.24774797462160 28.085 > 13 31 Si 0.46868371360031 0.83521695480359 0.74774797462160 28.085 > 13 32 Si 0.96868371360031 0.83521695480359 0.74774797462160 28.085 > 13 33 O 0.00000000000000 0.00000000000000 0.20066692747551 15.999 > 33 34 O 0.50000000000000 0.00000000000000 0.20066692747551 15.999 > 33 35 O 0.00000000000000 0.00000000000000 0.70066692747551 15.999 > 33 36 O 0.50000000000000 0.00000000000000 0.70066692747551 15.999 > 33 37 O 0.22993974344293 0.28258306554946 0.12611397341406 15.999 > 37 38 O 0.72993974344293 0.28258306554946 0.12611397341406 15.999 > 37 39 O 0.22993974344293 0.28258306554946 0.62611397341406 15.999 > 37 40 O 0.72993974344293 0.28258306554946 0.62611397341406 15.999 > 37 41 O 0.37500000000000 0.34177786785598 0.03810917645317 15.999 > 41 42 O 0.87500000000000 0.34177786785598 0.03810917645317 15.999 > 41 43 O 0.37500000000000 0.34177786785598 0.53810917645317 15.999 > 41 44 O 0.87500000000000 0.34177786785598 0.53810917645317 15.999 > 41 45 O 0.27006025655707 0.21741693445054 0.37611397341406 15.999 > 45 46 O 0.77006025655707 0.21741693445054 0.37611397341406 15.999 > 45 47 O 0.27006025655707 0.21741693445054 0.87611397341406 15.999 > 45 48 O 0.77006025655707 0.21741693445054 0.87611397341406 15.999 > 45 49 O 0.12500000000000 0.15822213214402 0.28810917645317 15.999 > 49 50 O 0.62500000000000 0.15822213214402 0.28810917645317 15.999 > 49 51 O 0.12500000000000 0.15822213214402 0.78810917645317 15.999 > 49 52 O 0.62500000000000 0.15822213214402 0.78810917645317 15.999 > 49 53 O 0.47993974344293 0.21741693445054 0.37611397341406 15.999 > 53 54 O 0.97993974344293 0.21741693445054 0.37611397341406 15.999 > 53 55 O 0.47993974344293 0.21741693445054 0.87611397341406 15.999 > 53 56 O 0.97993974344293 0.21741693445054 0.87611397341406 15.999 > 53 57 O 0.25000000000000 0.00000000000000 0.20066692747551 15.999 > 57 58 O 0.75000000000000 0.00000000000000 0.20066692747551 15.999 > 57 59 O 0.25000000000000 0.00000000000000 0.70066692747551 15.999 > 57 60 O 0.75000000000000 0.00000000000000 0.70066692747551 15.999 > 57 61 O 0.02006025655707 0.28258306554946 0.12611397341406 15.999 > 61 62 O 0.52006025655707 0.28258306554946 0.12611397341406 15.999 > 61 63 O 0.02006025655707 0.28258306554946 0.62611397341406 15.999 > 61 64 O 0.52006025655707 0.28258306554946 0.62611397341406 15.999 > 61 65 O 0.00000000000000 0.50000000000000 0.45066692747551 15.999 > 33 66 O 0.50000000000000 0.50000000000000 0.45066692747551 15.999 > 33 67 O 0.00000000000000 0.50000000000000 0.95066692747551 15.999 > 33 68 O 0.50000000000000 0.50000000000000 0.95066692747551 15.999 > 33 69 O 0.22993974344293 0.78258306554946 0.37611397341406 15.999 > 37 70 O 0.72993974344293 0.78258306554946 0.37611397341406 15.999 > 37 71 O 0.22993974344293 0.78258306554946 0.87611397341406 15.999 > 37 72 O 0.72993974344293 0.78258306554946 0.87611397341406 15.999 > 37 73 O 0.37500000000000 0.84177786785598 0.28810917645317 15.999 > 41 74 O 0.87500000000000 0.84177786785598 0.28810917645317 15.999 > 41 75 O 0.37500000000000 0.84177786785598 0.78810917645317 15.999 > 41 76 O 0.87500000000000 0.84177786785598 0.78810917645317 15.999 > 41 77 O 0.27006025655707 0.71741693445054 0.12611397341406 15.999 > 45 78 O 0.77006025655707 0.71741693445054 0.12611397341406 15.999 > 45 79 O 0.27006025655707 0.71741693445054 0.62611397341406 15.999 > 45 80 O 0.77006025655707 0.71741693445054 0.62611397341406 15.999 > 45 81 O 0.12500000000000 0.65822213214402 0.03810917645317 15.999 > 49 82 O 0.62500000000000 0.65822213214402 0.03810917645317 15.999 > 49 83 O 0.12500000000000 0.65822213214402 0.53810917645317 15.999 > 49 84 O 0.62500000000000 0.65822213214402 0.53810917645317 15.999 > 49 85 O 0.47993974344293 0.71741693445054 0.12611397341406 15.999 > 53 86 O 0.97993974344293 0.71741693445054 0.12611397341406 15.999 > 53 87 O 0.47993974344293 0.71741693445054 0.62611397341406 15.999 > 53 88 O 0.97993974344293 0.71741693445054 0.62611397341406 15.999 > 53 89 O 0.25000000000000 0.50000000000000 0.45066692747551 15.999 > 57 90 O 0.75000000000000 0.50000000000000 0.45066692747551 15.999 > 57 91 O 0.25000000000000 0.50000000000000 0.95066692747551 15.999 > 57 92 O 0.75000000000000 0.50000000000000 0.95066692747551 15.999 > 57 93 O 0.02006025655707 0.78258306554946 0.37611397341406 15.999 > 61 94 O 0.52006025655707 0.78258306554946 0.37611397341406 15.999 > 61 95 O 0.02006025655707 0.78258306554946 0.87611397341406 15.999 > 61 96 O 0.52006025655707 0.78258306554946 0.87611397341406 15.999 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2081486 0.0000000 0.0000000 0.0000000 2.2023120 0.0000000 0.0000000 0.0000000 2.1984158 -------------------------- Born effective charges -------------------------- 1 Si 3.3453570 -0.0243393 0.2785041 -0.0051749 3.3198763 0.2174792 -0.2821874 -0.2672288 3.2975308 2 Si 3.3453570 0.0243393 0.2785041 0.0051749 3.3198763 -0.2174792 -0.2821874 0.2672288 3.2975308 3 Si 3.3453570 0.0243393 -0.2785041 0.0051749 3.3198763 0.2174792 0.2821874 -0.2672288 3.2975308 4 Si 3.3453570 -0.0243393 -0.2785041 -0.0051749 3.3198763 -0.2174792 0.2821874 0.2672288 3.2975308 5 O -1.2194964 -0.5923018 0.0000000 -0.5803134 -2.6894346 0.0000000 0.0000000 0.0000000 -1.0576100 6 O -1.2550977 -0.2919518 0.5162794 -0.2809377 -1.4690315 0.7359549 0.5121220 0.7565108 -2.2474622 7 O -2.9610222 -0.0000000 0.0000000 0.0000000 -1.0122550 0.0349778 0.0000000 -0.0315025 -1.0425274 8 O -1.2550977 -0.2919518 -0.5162794 -0.2809377 -1.4690315 -0.7359549 -0.5121220 -0.7565108 -2.2474622 9 O -2.9610222 -0.0000000 0.0000000 0.0000000 -1.0122550 -0.0349778 0.0000000 0.0315025 -1.0425274 10 O -1.2550977 0.2919518 0.5162794 0.2809377 -1.4690315 -0.7359549 0.5121220 -0.7565108 -2.2474622 11 O -1.2194964 0.5923018 0.0000000 0.5803134 -2.6894346 0.0000000 0.0000000 0.0000000 -1.0576100 12 O -1.2550977 0.2919518 -0.5162794 0.2809377 -1.4690315 0.7359549 -0.5121220 0.7565108 -2.2474622 ---------------------------------------------------------------------------- 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[ 37, 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: 0.00000002 (yzy) 0.00000002 (yzy) 0.00000002 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yx) -0.00000001 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:13:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:13:38]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [ 0. 0.5 -0.5] [0. 0.5 0.5] Spacegroup: Ama2 (40) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.356165579999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.429017119999999 2.514266559999999 c 0.000000000000000 -4.429017119999999 2.514266559999999 Atomic positions (fractional): 1 Si 0.06263257279937 0.66027899443961 0.33071290404680 28.085 2 Si 0.56263257279937 0.33071290404680 0.66027899443961 28.085 3 Si 0.43736742720063 0.66027899443961 0.33071290404680 28.085 4 Si 0.93736742720063 0.33071290404680 0.66027899443961 28.085 5 O 0.00000000000000 0.40133385495101 0.40133385495101 15.999 6 O 0.45987948688586 0.53481101237758 0.96964488127865 15.999 7 O 0.75000000000000 0.41799622076231 0.73444048505035 15.999 8 O 0.54012051311414 0.96964488127865 0.53481101237758 15.999 9 O 0.25000000000000 0.73444048505035 0.41799622076231 15.999 10 O 0.95987948688586 0.96964488127865 0.53481101237758 15.999 11 O 0.50000000000000 0.40133385495101 0.40133385495101 15.999 12 O 0.04012051311414 0.53481101237758 0.96964488127865 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.712331159999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.858034239999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.057066239999997 Atomic positions (fractional): 1 Si 0.03131628639969 0.16478304519641 0.24774797462160 28.085 > 1 2 Si 0.53131628639969 0.16478304519641 0.24774797462160 28.085 > 1 3 Si 0.03131628639969 0.16478304519641 0.74774797462160 28.085 > 1 4 Si 0.53131628639969 0.16478304519641 0.74774797462160 28.085 > 1 5 Si 0.28131628639969 0.33521695480359 0.49774797462160 28.085 > 5 6 Si 0.78131628639969 0.33521695480359 0.49774797462160 28.085 > 5 7 Si 0.28131628639969 0.33521695480359 0.99774797462160 28.085 > 5 8 Si 0.78131628639969 0.33521695480359 0.99774797462160 28.085 > 5 9 Si 0.21868371360031 0.16478304519641 0.24774797462160 28.085 > 9 10 Si 0.71868371360031 0.16478304519641 0.24774797462160 28.085 > 9 11 Si 0.21868371360031 0.16478304519641 0.74774797462160 28.085 > 9 12 Si 0.71868371360031 0.16478304519641 0.74774797462160 28.085 > 9 13 Si 0.46868371360031 0.33521695480359 0.49774797462160 28.085 > 13 14 Si 0.96868371360031 0.33521695480359 0.49774797462160 28.085 > 13 15 Si 0.46868371360031 0.33521695480359 0.99774797462160 28.085 > 13 16 Si 0.96868371360031 0.33521695480359 0.99774797462160 28.085 > 13 17 Si 0.03131628639969 0.66478304519641 0.49774797462160 28.085 > 1 18 Si 0.53131628639969 0.66478304519641 0.49774797462160 28.085 > 1 19 Si 0.03131628639969 0.66478304519641 0.99774797462160 28.085 > 1 20 Si 0.53131628639969 0.66478304519641 0.99774797462160 28.085 > 1 21 Si 0.28131628639969 0.83521695480359 0.24774797462160 28.085 > 5 22 Si 0.78131628639969 0.83521695480359 0.24774797462160 28.085 > 5 23 Si 0.28131628639969 0.83521695480359 0.74774797462160 28.085 > 5 24 Si 0.78131628639969 0.83521695480359 0.74774797462160 28.085 > 5 25 Si 0.21868371360031 0.66478304519641 0.49774797462160 28.085 > 9 26 Si 0.71868371360031 0.66478304519641 0.49774797462160 28.085 > 9 27 Si 0.21868371360031 0.66478304519641 0.99774797462160 28.085 > 9 28 Si 0.71868371360031 0.66478304519641 0.99774797462160 28.085 > 9 29 Si 0.46868371360031 0.83521695480359 0.24774797462160 28.085 > 13 30 Si 0.96868371360031 0.83521695480359 0.24774797462160 28.085 > 13 31 Si 0.46868371360031 0.83521695480359 0.74774797462160 28.085 > 13 32 Si 0.96868371360031 0.83521695480359 0.74774797462160 28.085 > 13 33 O 0.00000000000000 0.00000000000000 0.20066692747551 15.999 > 33 34 O 0.50000000000000 0.00000000000000 0.20066692747551 15.999 > 33 35 O 0.00000000000000 0.00000000000000 0.70066692747551 15.999 > 33 36 O 0.50000000000000 0.00000000000000 0.70066692747551 15.999 > 33 37 O 0.22993974344293 0.28258306554946 0.12611397341406 15.999 > 37 38 O 0.72993974344293 0.28258306554946 0.12611397341406 15.999 > 37 39 O 0.22993974344293 0.28258306554946 0.62611397341406 15.999 > 37 40 O 0.72993974344293 0.28258306554946 0.62611397341406 15.999 > 37 41 O 0.37500000000000 0.34177786785598 0.03810917645317 15.999 > 41 42 O 0.87500000000000 0.34177786785598 0.03810917645317 15.999 > 41 43 O 0.37500000000000 0.34177786785598 0.53810917645317 15.999 > 41 44 O 0.87500000000000 0.34177786785598 0.53810917645317 15.999 > 41 45 O 0.27006025655707 0.21741693445054 0.37611397341406 15.999 > 45 46 O 0.77006025655707 0.21741693445054 0.37611397341406 15.999 > 45 47 O 0.27006025655707 0.21741693445054 0.87611397341406 15.999 > 45 48 O 0.77006025655707 0.21741693445054 0.87611397341406 15.999 > 45 49 O 0.12500000000000 0.15822213214402 0.28810917645317 15.999 > 49 50 O 0.62500000000000 0.15822213214402 0.28810917645317 15.999 > 49 51 O 0.12500000000000 0.15822213214402 0.78810917645317 15.999 > 49 52 O 0.62500000000000 0.15822213214402 0.78810917645317 15.999 > 49 53 O 0.47993974344293 0.21741693445054 0.37611397341406 15.999 > 53 54 O 0.97993974344293 0.21741693445054 0.37611397341406 15.999 > 53 55 O 0.47993974344293 0.21741693445054 0.87611397341406 15.999 > 53 56 O 0.97993974344293 0.21741693445054 0.87611397341406 15.999 > 53 57 O 0.25000000000000 0.00000000000000 0.20066692747551 15.999 > 57 58 O 0.75000000000000 0.00000000000000 0.20066692747551 15.999 > 57 59 O 0.25000000000000 0.00000000000000 0.70066692747551 15.999 > 57 60 O 0.75000000000000 0.00000000000000 0.70066692747551 15.999 > 57 61 O 0.02006025655707 0.28258306554946 0.12611397341406 15.999 > 61 62 O 0.52006025655707 0.28258306554946 0.12611397341406 15.999 > 61 63 O 0.02006025655707 0.28258306554946 0.62611397341406 15.999 > 61 64 O 0.52006025655707 0.28258306554946 0.62611397341406 15.999 > 61 65 O 0.00000000000000 0.50000000000000 0.45066692747551 15.999 > 33 66 O 0.50000000000000 0.50000000000000 0.45066692747551 15.999 > 33 67 O 0.00000000000000 0.50000000000000 0.95066692747551 15.999 > 33 68 O 0.50000000000000 0.50000000000000 0.95066692747551 15.999 > 33 69 O 0.22993974344293 0.78258306554946 0.37611397341406 15.999 > 37 70 O 0.72993974344293 0.78258306554946 0.37611397341406 15.999 > 37 71 O 0.22993974344293 0.78258306554946 0.87611397341406 15.999 > 37 72 O 0.72993974344293 0.78258306554946 0.87611397341406 15.999 > 37 73 O 0.37500000000000 0.84177786785598 0.28810917645317 15.999 > 41 74 O 0.87500000000000 0.84177786785598 0.28810917645317 15.999 > 41 75 O 0.37500000000000 0.84177786785598 0.78810917645317 15.999 > 41 76 O 0.87500000000000 0.84177786785598 0.78810917645317 15.999 > 41 77 O 0.27006025655707 0.71741693445054 0.12611397341406 15.999 > 45 78 O 0.77006025655707 0.71741693445054 0.12611397341406 15.999 > 45 79 O 0.27006025655707 0.71741693445054 0.62611397341406 15.999 > 45 80 O 0.77006025655707 0.71741693445054 0.62611397341406 15.999 > 45 81 O 0.12500000000000 0.65822213214402 0.03810917645317 15.999 > 49 82 O 0.62500000000000 0.65822213214402 0.03810917645317 15.999 > 49 83 O 0.12500000000000 0.65822213214402 0.53810917645317 15.999 > 49 84 O 0.62500000000000 0.65822213214402 0.53810917645317 15.999 > 49 85 O 0.47993974344293 0.71741693445054 0.12611397341406 15.999 > 53 86 O 0.97993974344293 0.71741693445054 0.12611397341406 15.999 > 53 87 O 0.47993974344293 0.71741693445054 0.62611397341406 15.999 > 53 88 O 0.97993974344293 0.71741693445054 0.62611397341406 15.999 > 53 89 O 0.25000000000000 0.50000000000000 0.45066692747551 15.999 > 57 90 O 0.75000000000000 0.50000000000000 0.45066692747551 15.999 > 57 91 O 0.25000000000000 0.50000000000000 0.95066692747551 15.999 > 57 92 O 0.75000000000000 0.50000000000000 0.95066692747551 15.999 > 57 93 O 0.02006025655707 0.78258306554946 0.37611397341406 15.999 > 61 94 O 0.52006025655707 0.78258306554946 0.37611397341406 15.999 > 61 95 O 0.02006025655707 0.78258306554946 0.87611397341406 15.999 > 61 96 O 0.52006025655707 0.78258306554946 0.87611397341406 15.999 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.2081486 0.0000000 0.0000000 0.0000000 2.2023120 0.0000000 0.0000000 0.0000000 2.1984158 -------------------------- Born effective charges -------------------------- 1 Si 3.3453570 -0.0243393 0.2785041 -0.0051749 3.3198763 0.2174792 -0.2821874 -0.2672288 3.2975308 2 Si 3.3453570 0.0243393 0.2785041 0.0051749 3.3198763 -0.2174792 -0.2821874 0.2672288 3.2975308 3 Si 3.3453570 0.0243393 -0.2785041 0.0051749 3.3198763 0.2174792 0.2821874 -0.2672288 3.2975308 4 Si 3.3453570 -0.0243393 -0.2785041 -0.0051749 3.3198763 -0.2174792 0.2821874 0.2672288 3.2975308 5 O -1.2194964 -0.5923018 0.0000000 -0.5803134 -2.6894346 0.0000000 0.0000000 0.0000000 -1.0576100 6 O -1.2550977 -0.2919518 0.5162794 -0.2809377 -1.4690315 0.7359549 0.5121220 0.7565108 -2.2474622 7 O -2.9610222 -0.0000000 0.0000000 0.0000000 -1.0122550 0.0349778 0.0000000 -0.0315025 -1.0425274 8 O -1.2550977 -0.2919518 -0.5162794 -0.2809377 -1.4690315 -0.7359549 -0.5121220 -0.7565108 -2.2474622 9 O -2.9610222 -0.0000000 0.0000000 0.0000000 -1.0122550 -0.0349778 0.0000000 0.0315025 -1.0425274 10 O -1.2550977 0.2919518 0.5162794 0.2809377 -1.4690315 -0.7359549 0.5121220 -0.7565108 -2.2474622 11 O -1.2194964 0.5923018 0.0000000 0.5803134 -2.6894346 0.0000000 0.0000000 0.0000000 -1.0576100 12 O -1.2550977 0.2919518 -0.5162794 0.2809377 -1.4690315 0.7359549 -0.5121220 0.7565108 -2.2474622 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yzy) 0.00000002 (yzy) 0.00000002 (yyz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 11 11 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.73, Number of G-points: 313, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/144) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.876 ( 0.000 0.000 -0.000) 0.000 1.697 ( 0.000 0.000 -0.000) 0.000 2.530 ( 0.000 0.000 0.000) 0.000 3.487 ( 0.000 0.000 0.000) 0.000 5.713 ( 0.000 0.000 0.000) 0.000 8.058 ( 0.000 0.000 0.000) 0.000 8.231 ( 0.000 0.000 0.000) 0.000 8.559 ( 0.000 0.000 0.000) 0.000 8.840 ( 0.000 0.000 0.000) 0.000 9.453 ( 0.000 0.000 -0.000) 0.000 10.659 ( 0.000 0.000 0.000) 0.000 10.984 ( 0.000 0.000 -0.000) 0.000 12.016 ( 0.000 0.000 0.000) 0.000 12.107 ( 0.000 0.000 0.000) 0.000 12.618 ( 0.000 0.000 0.000) 0.000 12.885 ( 0.000 0.000 0.000) 0.000 12.999 ( 0.000 0.000 0.000) 0.000 13.419 ( 0.000 0.000 0.000) 0.000 14.199 ( 0.000 0.000 0.000) 0.000 21.018 ( 0.000 0.000 0.000) 0.000 22.634 ( 0.000 0.000 -0.000) 0.000 22.652 ( 0.000 0.000 0.000) 0.000 22.796 ( 0.000 0.000 0.000) 0.000 22.912 ( 0.000 0.000 -0.000) 0.000 23.485 ( 0.000 0.000 0.000) 0.000 32.055 ( 0.000 0.000 -0.000) 0.000 32.115 ( 0.000 0.000 0.000) 0.000 32.392 ( 0.000 0.000 0.000) 0.000 32.400 ( 0.000 0.000 0.000) 0.000 32.466 ( 0.000 0.000 0.000) 0.000 33.552 ( 0.000 0.000 0.000) 0.000 35.022 ( 0.000 0.000 0.000) 0.000 35.771 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/144) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 24.626 0.000 0.000) 24.626 0.730 ( 27.130 0.000 0.000) 27.130 0.947 ( 7.758 0.000 0.000) 7.758 1.149 ( 43.421 0.000 0.000) 43.421 1.835 ( 22.244 0.000 0.000) 22.244 2.755 ( 22.525 0.000 0.000) 22.525 3.687 ( 18.483 0.000 0.000) 18.483 5.690 ( -2.195 0.000 0.000) 2.195 7.473 ( -40.865 0.000 0.000) 40.865 7.490 ( -56.952 0.000 0.000) 56.952 8.789 ( 12.340 0.000 0.000) 12.340 9.186 ( 27.429 0.000 0.000) 27.429 9.942 ( 29.716 0.000 0.000) 29.716 10.598 ( -6.705 0.000 0.000) 6.705 10.842 ( -9.897 0.000 0.000) 9.897 11.935 ( -7.302 0.000 0.000) 7.302 12.297 ( 5.071 0.000 0.000) 5.071 12.671 ( 4.384 0.000 0.000) 4.384 12.851 ( -2.638 0.000 0.000) 2.638 13.369 ( -4.942 0.000 0.000) 4.942 14.294 ( 8.551 0.000 0.000) 8.551 14.824 ( -1.372 0.000 0.000) 1.372 21.114 ( 9.499 0.000 0.000) 9.499 22.541 ( -11.271 0.000 0.000) 11.271 22.649 ( 1.385 0.000 0.000) 1.385 22.865 ( -3.234 0.000 0.000) 3.234 23.054 ( 3.673 0.000 0.000) 3.673 23.454 ( -3.031 0.000 0.000) 3.031 32.061 ( 0.358 0.000 0.000) 0.358 32.111 ( -0.413 0.000 0.000) 0.413 32.405 ( 0.459 0.000 0.000) 0.459 32.462 ( -0.423 0.000 0.000) 0.423 33.615 ( 8.350 0.000 0.000) 8.350 34.861 ( -13.971 0.000 0.000) 13.971 35.908 ( 11.514 0.000 0.000) 11.514 36.746 ( -4.525 0.000 0.000) 4.525 ======================= Grid point 2 (3/144) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 10.724 0.000 0.000) 10.724 1.004 ( 6.395 0.000 0.000) 6.395 1.191 ( 11.210 0.000 0.000) 11.210 1.429 ( -1.054 0.000 0.000) 1.054 2.844 ( 61.187 0.000 0.000) 61.187 3.338 ( 30.687 0.000 0.000) 30.687 4.134 ( 25.002 0.000 0.000) 25.002 5.620 ( -7.745 0.000 0.000) 7.745 6.279 ( -57.214 0.000 0.000) 57.214 6.637 ( -40.493 0.000 0.000) 40.493 9.110 ( 20.305 0.000 0.000) 20.305 9.710 ( 23.813 0.000 0.000) 23.813 10.077 ( -18.528 0.000 0.000) 18.528 10.400 ( -11.052 0.000 0.000) 11.052 10.953 ( 21.634 0.000 0.000) 21.634 11.734 ( -13.103 0.000 0.000) 13.103 12.419 ( 6.825 0.000 0.000) 6.825 12.687 ( -4.519 0.000 0.000) 4.519 12.876 ( 6.694 0.000 0.000) 6.694 13.231 ( -8.478 0.000 0.000) 8.478 14.492 ( 10.146 0.000 0.000) 10.146 14.776 ( -3.707 0.000 0.000) 3.707 21.388 ( 17.605 0.000 0.000) 17.605 22.220 ( -19.978 0.000 0.000) 19.978 22.688 ( 2.440 0.000 0.000) 2.440 22.803 ( -3.056 0.000 0.000) 3.056 23.144 ( 5.240 0.000 0.000) 5.240 23.370 ( -5.177 0.000 0.000) 5.177 32.071 ( 0.619 0.000 0.000) 0.619 32.099 ( -0.680 0.000 0.000) 0.680 32.418 ( 0.769 0.000 0.000) 0.769 32.450 ( -0.727 0.000 0.000) 0.727 33.848 ( 14.551 0.000 0.000) 14.551 34.534 ( -17.811 0.000 0.000) 17.811 36.162 ( 13.140 0.000 0.000) 13.140 36.614 ( -8.532 0.000 0.000) 8.532 ======================= Grid point 3 (4/144) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -0.633 0.000 0.000) 0.633 1.068 ( 0.633 0.000 0.000) 0.633 1.350 ( -5.811 0.000 0.000) 5.811 1.350 ( 5.811 0.000 0.000) 5.811 3.663 ( -8.508 0.000 0.000) 8.508 3.663 ( 8.508 0.000 0.000) 8.508 4.843 ( -51.978 0.000 0.000) 51.978 4.843 ( 51.978 0.000 0.000) 51.978 5.993 ( -19.577 0.000 0.000) 19.577 5.993 ( 19.577 0.000 0.000) 19.577 9.584 ( -26.263 0.000 0.000) 26.263 9.584 ( 26.263 0.000 0.000) 26.263 10.121 ( -17.281 0.000 0.000) 17.281 10.121 ( 17.281 0.000 0.000) 17.281 11.402 ( -20.274 0.000 0.000) 20.274 11.402 ( 20.274 0.000 0.000) 20.274 12.561 ( -7.172 0.000 0.000) 7.172 12.561 ( 7.172 0.000 0.000) 7.172 13.047 ( -9.494 0.000 0.000) 9.494 13.047 ( 9.494 0.000 0.000) 9.494 14.668 ( -7.193 0.000 0.000) 7.193 14.668 ( 7.193 0.000 0.000) 7.193 21.790 ( -21.895 0.000 0.000) 21.895 21.790 ( 21.895 0.000 0.000) 21.895 22.742 ( -2.963 0.000 0.000) 2.963 22.742 ( 2.963 0.000 0.000) 2.963 23.257 ( -5.912 0.000 0.000) 5.912 23.257 ( 5.912 0.000 0.000) 5.912 32.085 ( -0.741 0.000 0.000) 0.741 32.085 ( 0.741 0.000 0.000) 0.741 32.434 ( -0.856 0.000 0.000) 0.856 32.434 ( 0.856 0.000 0.000) 0.856 34.175 ( -17.690 0.000 0.000) 17.690 34.175 ( 17.690 0.000 0.000) 17.690 36.412 ( -11.572 0.000 0.000) 11.572 36.412 ( 11.572 0.000 0.000) 11.572 ======================= Grid point 7 (5/144) ======================= q-point: ( 0.00 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 0.000 26.619 20.910) 33.850 0.812 ( 0.000 14.506 36.321) 39.110 1.242 ( 0.000 18.656 49.733) 53.117 1.664 ( 0.000 2.891 64.997) 65.061 2.169 ( 0.000 40.339 20.249) 45.136 2.645 ( 0.000 9.706 10.949) 14.632 3.740 ( 0.000 10.076 19.174) 21.661 5.884 ( 0.000 11.537 12.641) 17.114 7.979 ( 0.000 -15.988 -0.794) 16.007 8.271 ( 0.000 10.629 -4.107) 11.395 8.492 ( 0.000 -10.686 -1.628) 10.809 8.957 ( 0.000 8.397 7.227) 11.079 9.386 ( 0.000 5.693 -9.960) 11.472 10.635 ( 0.000 -0.094 -2.756) 2.758 10.951 ( 0.000 -1.270 -2.929) 3.192 11.953 ( 0.000 -2.569 -13.703) 13.941 12.038 ( 0.000 -2.583 0.047) 2.583 12.564 ( 0.000 -4.714 -3.618) 5.942 13.000 ( 0.000 -3.602 1.545) 3.919 13.017 ( 0.000 21.946 -11.913) 24.971 14.463 ( 0.000 9.620 22.122) 24.123 15.027 ( 0.000 -11.053 3.734) 11.667 20.660 ( 0.000 -20.111 -23.339) 30.808 22.561 ( 0.000 -11.361 -6.046) 12.869 22.700 ( 0.000 2.036 1.151) 2.339 22.757 ( 0.000 7.578 -3.968) 8.554 23.227 ( 0.000 -2.542 8.909) 9.265 23.697 ( 0.000 9.414 10.825) 14.346 32.062 ( 0.000 2.343 -0.576) 2.413 32.204 ( 0.000 14.095 -7.332) 15.888 32.387 ( 0.000 -1.000 -0.024) 1.000 32.416 ( 0.000 0.160 1.427) 1.436 33.646 ( 0.000 4.584 7.507) 8.796 35.023 ( 0.000 -0.264 0.764) 0.808 35.763 ( 0.000 -1.118 -0.164) 1.130 36.597 ( 0.000 -11.851 1.584) 11.956 ======================= Grid point 8 (6/144) ======================= q-point: ( 0.17 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 24.928 12.244 15.968) 32.036 1.195 ( 26.428 16.427 27.730) 41.680 1.576 ( 21.547 16.442 38.256) 46.885 1.704 ( 6.381 9.465 57.450) 58.573 2.244 ( 9.855 32.548 22.245) 40.637 2.838 ( 20.556 5.705 9.117) 23.200 3.927 ( 18.004 10.428 19.433) 28.470 5.847 ( -3.778 11.130 11.290) 16.298 7.254 ( -51.274 -20.039 -3.199) 55.144 7.636 ( -46.404 16.178 -2.704) 49.218 8.841 ( 15.620 1.951 3.709) 16.173 9.191 ( 24.229 -3.583 2.747) 24.646 9.897 ( 30.954 4.303 -7.255) 32.083 10.578 ( -6.387 0.030 -2.172) 6.746 10.819 ( -9.258 -1.319 -1.903) 9.543 11.927 ( -7.492 -0.501 -1.932) 7.754 12.088 ( 7.700 -4.507 -14.365) 16.910 12.625 ( 3.612 -0.303 -6.292) 7.261 12.852 ( -4.306 1.553 -1.001) 4.686 13.225 ( 4.949 0.330 -7.201) 8.744 14.529 ( 6.186 6.764 20.214) 22.195 14.978 ( -2.923 -3.220 8.852) 9.862 20.758 ( 9.795 -19.773 -23.025) 31.891 22.362 ( -19.169 -7.541 -7.354) 21.872 22.670 ( 2.440 2.230 -0.523) 3.346 22.844 ( 3.385 6.954 -4.891) 9.151 23.177 ( -0.739 -0.728 8.032) 8.098 23.639 ( -4.400 7.460 12.288) 15.034 32.068 ( 0.477 2.289 -0.600) 2.415 32.157 ( -2.192 8.667 -1.987) 9.158 32.417 ( 0.510 -0.389 1.140) 1.308 32.446 ( 1.923 -0.106 -0.986) 2.164 33.718 ( 7.424 4.709 7.668) 11.666 34.875 ( -12.929 0.520 1.580) 13.035 35.890 ( 10.750 -1.755 -0.869) 10.927 36.627 ( -0.557 -9.307 -3.553) 9.978 ======================= Grid point 9 (7/144) ======================= q-point: ( 0.33 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 10.323 18.148 27.437) 34.478 1.591 ( 8.460 18.452 42.331) 46.947 1.766 ( 7.346 16.036 37.727) 41.646 1.936 ( 4.660 25.216 30.733) 40.026 2.828 ( 48.022 2.172 3.130) 48.173 3.400 ( 30.060 4.183 5.200) 30.792 4.364 ( 23.172 10.095 18.553) 31.353 5.678 ( -20.563 5.305 1.056) 21.262 6.217 ( -40.740 -9.258 3.659) 41.938 6.721 ( -42.463 11.578 1.096) 44.027 9.179 ( 20.007 3.669 5.394) 21.044 9.691 ( 23.247 -3.887 -0.040) 23.570 10.098 ( -15.189 1.137 1.255) 15.283 10.369 ( -11.416 -0.527 -3.037) 11.825 10.925 ( 21.292 0.906 -3.842) 21.655 11.717 ( -13.531 0.687 -2.479) 13.773 12.252 ( 8.317 -3.928 -13.830) 16.609 12.609 ( -5.365 5.158 -10.077) 12.528 12.871 ( 6.135 -5.364 1.233) 8.242 13.197 ( -5.994 -3.344 -1.285) 6.983 14.672 ( 6.969 1.667 15.622) 17.187 14.931 ( -2.165 3.822 12.652) 13.392 21.041 ( 18.109 -18.693 -21.857) 33.987 21.927 ( -23.377 -12.530 -15.206) 30.573 22.728 ( 2.940 5.395 -0.361) 6.154 22.862 ( -1.195 10.003 -1.137) 10.139 23.234 ( 5.428 -1.583 6.006) 8.249 23.535 ( -5.847 6.134 11.266) 14.097 32.079 ( 0.581 2.352 -0.727) 2.529 32.126 ( -1.094 5.547 -0.533) 5.679 32.429 ( 0.680 -0.309 1.121) 1.347 32.458 ( -0.276 -0.088 0.573) 0.642 33.931 ( 13.506 4.130 6.520) 15.555 34.571 ( -16.623 1.816 3.181) 17.022 36.130 ( 12.391 -2.828 -1.880) 12.847 36.546 ( -7.056 -5.793 -3.530) 9.788 ======================= Grid point 10 (8/144) ======================= q-point: (-0.50 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 0.000 19.334 29.837) 35.553 1.652 ( 0.000 12.569 49.967) 51.523 1.863 ( 0.000 29.686 23.728) 38.004 1.951 ( 0.000 22.608 39.555) 45.561 3.599 ( 0.000 -4.901 -2.710) 5.601 3.688 ( -0.000 3.501 0.944) 3.626 4.830 ( 0.000 -3.958 2.115) 4.487 4.964 ( 0.000 9.075 8.466) 12.411 6.065 ( -0.000 4.679 5.868) 7.505 6.096 ( 0.000 7.910 7.117) 10.640 9.635 ( 0.000 1.600 4.331) 4.617 9.642 ( -0.000 2.434 4.960) 5.525 10.094 ( 0.000 -2.094 -1.701) 2.698 10.097 ( -0.000 -1.776 -1.792) 2.523 11.370 ( -0.000 0.256 -3.835) 3.843 11.385 ( 0.000 1.664 -3.319) 3.713 12.377 ( 0.000 -5.404 -13.486) 14.529 12.508 ( 0.000 6.725 -9.958) 12.016 13.008 ( 0.000 -6.943 -0.058) 6.944 13.063 ( -0.000 -2.307 1.161) 2.583 14.757 ( 0.000 -3.761 11.358) 11.965 14.898 ( 0.000 9.375 16.251) 18.761 21.453 ( 0.000 -16.734 -19.736) 25.876 21.462 ( -0.000 -16.319 -19.652) 25.545 22.769 ( -0.000 5.770 -0.650) 5.806 22.835 ( 0.000 11.423 0.634) 11.441 23.324 ( 0.000 -3.115 6.453) 7.166 23.444 ( 0.000 7.752 10.306) 12.896 32.087 ( 0.000 2.335 -1.077) 2.571 32.113 ( -0.000 4.775 0.061) 4.776 32.441 ( 0.000 -0.572 0.846) 1.021 32.449 ( 0.000 0.217 1.141) 1.161 34.230 ( -0.000 2.561 4.653) 5.311 34.241 ( 0.000 3.618 5.154) 6.297 36.356 ( -0.000 -4.745 -3.052) 5.642 36.373 ( 0.000 -3.274 -2.400) 4.060 ======================= Grid point 14 (9/144) ======================= q-point: ( 0.00 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 0.000 10.857 2.260) 11.089 1.599 ( 0.000 13.986 34.275) 37.019 1.994 ( 0.000 -4.628 26.335) 26.738 2.786 ( 0.000 22.819 31.442) 38.850 3.131 ( 0.000 25.920 54.405) 60.265 3.323 ( 0.000 33.744 37.474) 50.428 4.365 ( 0.000 18.138 31.826) 36.631 6.407 ( 0.000 24.721 23.735) 34.270 7.769 ( 0.000 -15.886 -4.182) 16.427 8.267 ( 0.000 -20.582 -5.546) 21.316 8.291 ( 0.000 8.852 -4.358) 9.867 9.246 ( 0.000 10.363 -13.567) 17.072 9.263 ( 0.000 15.013 12.609) 19.606 10.551 ( 0.000 -0.766 -6.661) 6.705 10.862 ( 0.000 -1.287 -4.727) 4.899 11.612 ( 0.000 0.476 -22.188) 22.193 11.997 ( 0.000 -2.752 -1.506) 3.138 12.392 ( 0.000 -11.923 -5.693) 13.213 12.967 ( 0.000 -6.008 0.304) 6.016 13.030 ( 0.000 14.458 -7.413) 16.248 14.975 ( 0.000 -11.475 3.738) 12.068 15.117 ( 0.000 13.496 34.887) 37.407 19.942 ( 0.000 -25.407 -27.172) 37.200 22.179 ( 0.000 -16.565 -18.308) 24.690 22.748 ( 0.000 1.495 2.428) 2.851 22.826 ( 0.000 10.006 0.165) 10.008 23.348 ( 0.000 4.221 3.614) 5.557 24.010 ( 0.000 7.806 10.822) 13.343 32.080 ( 0.000 3.617 -0.909) 3.729 32.218 ( 0.000 8.822 -4.199) 9.770 32.370 ( 0.000 -1.778 -0.297) 1.802 32.443 ( 0.000 0.035 1.068) 1.069 33.902 ( 0.000 8.171 12.967) 15.327 35.056 ( 0.000 0.886 2.864) 2.998 35.741 ( 0.000 -2.477 -0.338) 2.500 36.467 ( 0.000 -10.096 -3.155) 10.578 ======================= Grid point 15 (10/144) ======================= q-point: ( 0.17 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 6.519 8.549 7.636) 13.187 1.673 ( 29.930 6.059 11.895) 32.773 2.329 ( 16.390 8.905 24.412) 30.723 2.899 ( 10.662 15.790 42.350) 46.438 3.109 ( 0.032 29.063 43.309) 52.157 3.409 ( 8.043 25.564 40.318) 48.412 4.560 ( 18.384 19.815 31.378) 41.415 6.300 ( -14.163 20.544 16.459) 29.892 6.992 ( -45.733 -16.406 -0.994) 48.597 7.728 ( -41.689 13.218 -3.297) 43.859 8.867 ( 31.233 -8.530 0.151) 32.377 9.287 ( 11.410 4.959 8.892) 15.292 9.782 ( 29.993 7.869 -11.642) 33.122 10.518 ( -3.506 0.087 -4.882) 6.011 10.746 ( -9.087 -1.757 -3.997) 10.081 11.697 ( 6.750 -0.288 -20.875) 21.941 11.910 ( -7.072 -1.644 -3.955) 8.267 12.446 ( 3.408 -7.944 -7.748) 11.608 12.842 ( -5.986 1.192 -1.894) 6.391 13.136 ( 3.677 0.368 -4.102) 5.521 14.944 ( -1.100 -8.394 12.082) 14.753 15.187 ( 4.764 9.705 24.586) 26.858 20.064 ( 12.148 -24.045 -25.580) 37.149 22.069 ( -15.668 -13.902 -14.618) 25.543 22.687 ( 0.109 2.376 0.945) 2.559 22.877 ( 3.336 10.095 -1.275) 10.708 23.292 ( -3.434 2.843 3.992) 5.984 23.936 ( -6.598 7.087 9.810) 13.784 32.084 ( 0.363 3.604 -1.017) 3.762 32.198 ( -1.383 7.730 -2.652) 8.288 32.405 ( 2.184 -1.606 -1.011) 2.893 32.450 ( 0.686 0.135 0.693) 0.985 33.970 ( 6.636 8.000 12.561) 16.303 34.939 ( -10.345 2.005 4.326) 11.391 35.843 ( 8.813 -3.476 -1.373) 9.572 36.460 ( -1.333 -9.738 -4.329) 10.740 ======================= Grid point 16 (11/144) ======================= q-point: ( 0.33 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 23.866 7.280 -7.120) 25.947 2.265 ( 22.166 17.118 10.689) 29.976 2.571 ( 13.276 11.435 26.462) 31.738 3.017 ( 0.621 20.766 58.094) 61.698 3.257 ( 13.056 14.529 31.176) 36.790 3.680 ( 17.810 12.420 21.202) 30.348 4.963 ( 15.639 18.467 29.222) 37.941 5.629 ( -42.446 -4.706 -5.723) 43.088 6.449 ( -11.741 12.322 20.854) 26.918 6.892 ( -38.141 14.741 3.500) 41.040 9.358 ( 20.756 4.704 7.790) 22.663 9.637 ( 20.303 -5.148 0.609) 20.955 10.103 ( -2.583 0.802 -4.299) 5.079 10.308 ( -16.474 0.901 -1.853) 16.603 10.818 ( 19.571 -0.945 -8.613) 21.403 11.631 ( -14.045 -2.627 -7.169) 15.986 11.939 ( 9.596 1.301 -17.192) 19.732 12.437 ( -5.179 4.596 -13.864) 15.496 12.815 ( 4.034 -7.765 0.338) 8.757 13.121 ( -4.881 -5.816 -2.032) 7.860 14.950 ( 1.212 -7.517 15.789) 17.529 15.264 ( 2.628 7.313 17.708) 19.339 20.416 ( 22.752 -20.426 -21.459) 37.355 21.564 ( -30.815 -11.701 -11.547) 34.926 22.774 ( 5.383 4.886 -0.468) 7.285 22.943 ( 2.496 11.787 -2.067) 12.224 23.278 ( 2.849 -2.795 2.419) 4.667 23.774 ( -8.924 5.764 6.524) 12.467 32.091 ( 0.303 3.582 -1.260) 3.809 32.176 ( -0.767 6.792 -1.294) 6.957 32.433 ( 0.844 -1.208 -0.215) 1.489 32.463 ( 0.309 -0.053 0.029) 0.314 34.154 ( 11.476 7.240 11.264) 17.635 34.692 ( -13.707 4.022 6.900) 15.864 36.043 ( 10.484 -5.217 -2.955) 12.077 36.393 ( -5.521 -8.383 -4.906) 11.173 ======================= Grid point 17 (12/144) ======================= q-point: (-0.50 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 0.000 15.272 -1.849) 15.383 2.435 ( 0.000 22.268 9.683) 24.283 2.821 ( -0.000 17.836 49.182) 52.316 3.016 ( 0.000 17.119 47.906) 50.873 3.563 ( 0.000 -1.576 7.749) 7.907 3.795 ( 0.000 4.942 9.921) 11.083 4.904 ( 0.000 -0.890 10.067) 10.106 5.336 ( 0.000 15.739 17.575) 23.592 6.344 ( 0.000 14.321 15.843) 21.357 6.429 ( 0.000 18.078 15.278) 23.669 9.750 ( 0.000 1.654 5.751) 5.984 9.807 ( 0.000 4.896 8.752) 10.028 10.008 ( 0.000 -3.215 -5.342) 6.234 10.021 ( -0.000 -2.599 -3.445) 4.315 11.259 ( -0.000 -2.318 -7.604) 7.949 11.278 ( 0.000 -1.769 -9.931) 10.087 12.081 ( 0.000 -0.544 -13.626) 13.637 12.337 ( 0.000 10.661 -18.258) 21.142 12.921 ( 0.000 -10.249 0.638) 10.268 13.010 ( 0.000 -7.830 -1.363) 7.948 14.967 ( 0.000 -7.116 17.012) 18.440 15.290 ( 0.000 6.144 15.229) 16.421 20.939 ( 0.000 -16.579 -17.258) 23.931 20.954 ( -0.000 -14.604 -14.806) 20.796 22.834 ( 0.000 7.540 0.287) 7.545 22.961 ( 0.000 12.705 -0.481) 12.714 23.348 ( 0.000 -6.661 1.388) 6.804 23.651 ( 0.000 6.048 3.791) 7.138 32.094 ( 0.000 3.567 -1.437) 3.845 32.168 ( 0.000 6.477 -0.762) 6.522 32.443 ( -0.000 -1.037 0.068) 1.039 32.463 ( 0.000 -0.079 0.010) 0.079 34.395 ( -0.000 5.143 9.160) 10.505 34.428 ( 0.000 6.591 9.452) 11.523 36.224 ( 0.000 -7.471 -4.211) 8.577 36.263 ( 0.000 -6.163 -4.217) 7.468 ======================= Grid point 21 (13/144) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 0.000 -1.357 -4.617) 4.812 2.283 ( 0.000 -4.250 13.613) 14.261 2.320 ( 0.000 12.799 29.462) 32.122 3.368 ( 0.000 19.687 13.092) 23.643 4.410 ( 0.000 33.140 38.410) 50.730 4.464 ( 0.000 20.210 61.733) 64.957 5.194 ( 0.000 18.825 38.030) 42.434 7.126 ( 0.000 28.339 16.917) 33.004 7.514 ( 0.000 -12.941 -7.061) 14.741 7.940 ( 0.000 -19.227 -0.905) 19.248 8.302 ( 0.000 5.821 -2.929) 6.516 9.132 ( 0.000 10.110 -10.612) 14.657 9.675 ( 0.000 15.351 13.197) 20.244 10.356 ( 0.000 -1.827 -13.057) 13.184 10.800 ( 0.000 2.663 -1.592) 3.102 11.173 ( 0.000 2.942 -27.885) 28.040 11.931 ( 0.000 -4.360 -1.727) 4.689 12.116 ( 0.000 -18.519 -7.550) 19.998 12.901 ( 0.000 -5.619 -0.576) 5.648 13.042 ( 0.000 10.954 -5.726) 12.361 14.940 ( 0.000 -10.391 5.107) 11.578 15.932 ( 0.000 13.070 38.491) 40.650 19.222 ( 0.000 -23.672 -23.528) 33.376 21.609 ( 0.000 -17.572 -24.140) 29.859 22.825 ( 0.000 0.770 4.820) 4.881 22.942 ( 0.000 9.585 0.985) 9.636 23.444 ( 0.000 4.725 1.804) 5.058 24.193 ( 0.000 5.136 2.038) 5.525 32.103 ( 0.000 3.716 -0.709) 3.783 32.231 ( 0.000 6.450 -3.116) 7.163 32.339 ( 0.000 -2.340 -0.796) 2.471 32.449 ( 0.000 -0.063 -0.445) 0.450 34.257 ( 0.000 10.130 15.202) 18.268 35.151 ( 0.000 2.422 5.700) 6.193 35.695 ( 0.000 -4.189 -1.196) 4.356 36.288 ( 0.000 -9.577 -5.175) 10.886 ======================= Grid point 22 (14/144) ======================= q-point: ( 0.17 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 3.364 8.711 -1.018) 9.393 1.881 ( 12.893 -6.575 14.537) 20.513 2.724 ( 13.206 9.179 11.635) 19.850 3.450 ( 8.218 15.198 11.735) 20.885 4.387 ( -2.092 26.991 54.156) 60.545 4.551 ( 4.555 21.033 52.706) 56.930 5.379 ( 18.192 20.721 33.928) 43.719 6.416 ( -52.692 -6.982 -8.155) 53.774 7.279 ( -9.781 21.246 24.434) 33.824 7.816 ( -32.359 12.147 0.035) 34.564 8.693 ( 40.382 -15.381 -3.675) 43.368 9.466 ( 20.857 5.783 -5.446) 22.318 9.741 ( 7.272 11.321 2.957) 13.777 10.363 ( 1.464 -1.492 -12.112) 12.291 10.693 ( -10.003 2.279 -0.483) 10.270 11.287 ( 10.301 3.275 -25.430) 27.632 11.792 ( -10.480 -6.457 -4.906) 13.252 12.210 ( 5.591 -12.389 -6.394) 15.021 12.805 ( -6.886 -0.872 -2.269) 7.302 13.071 ( 0.291 1.723 -4.257) 4.601 14.974 ( 3.684 -10.016 6.182) 12.333 15.853 ( -7.385 9.526 32.422) 34.590 19.413 ( 18.459 -20.834 -19.648) 34.071 21.570 ( -6.907 -16.633 -21.791) 28.270 22.765 ( -2.787 2.472 4.564) 5.891 22.977 ( 2.565 9.774 0.365) 10.111 23.385 ( -4.767 3.695 2.372) 6.481 24.097 ( -8.979 4.863 1.288) 10.292 32.105 ( 0.158 3.694 -0.834) 3.791 32.223 ( -0.559 6.084 -2.397) 6.563 32.362 ( 1.864 -2.155 -1.487) 3.213 32.451 ( 0.164 -0.077 -0.682) 0.706 34.315 ( 5.634 9.931 14.794) 18.687 35.074 ( -7.006 3.688 7.223) 10.717 35.767 ( 6.414 -5.229 -2.219) 8.567 36.269 ( -2.000 -9.649 -5.656) 11.361 ======================= Grid point 23 (15/144) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 15.233 -2.868 -12.644) 20.004 2.476 ( 23.369 3.080 3.130) 23.778 2.927 ( 12.671 11.015 4.162) 17.297 3.661 ( 8.326 9.718 5.221) 13.821 4.292 ( -7.754 21.035 47.182) 52.237 4.550 ( -4.597 9.884 50.745) 51.902 5.447 ( -29.006 1.012 9.072) 30.408 5.822 ( 11.658 18.904 29.674) 37.065 6.978 ( -16.334 17.844 11.318) 26.708 7.285 ( -18.384 25.647 22.571) 38.797 9.381 ( 28.154 -7.443 -3.910) 29.383 9.741 ( 8.516 4.445 6.493) 11.594 9.920 ( 5.274 0.695 -12.520) 13.603 10.352 ( -12.744 4.019 1.630) 13.462 10.590 ( 13.159 -4.026 -11.819) 18.140 11.388 ( -10.576 -6.176 -13.624) 18.319 11.690 ( 9.044 4.107 -13.875) 17.064 12.242 ( -4.245 0.737 -10.128) 11.007 12.723 ( 0.960 -7.064 -2.132) 7.441 13.008 ( -6.584 -6.205 -3.340) 9.644 15.091 ( 7.457 -9.050 10.365) 15.651 15.671 ( -9.800 2.938 19.758) 22.250 19.913 ( 30.387 -15.620 -13.005) 36.558 21.225 ( -27.201 -12.595 -12.997) 32.672 22.818 ( 7.533 3.712 0.916) 8.448 23.030 ( 2.585 10.744 -1.259) 11.122 23.301 ( -2.920 -0.203 2.041) 3.569 23.874 ( -12.041 4.350 -0.695) 12.821 32.107 ( 0.086 3.612 -1.028) 3.756 32.215 ( -0.241 5.829 -1.601) 6.050 32.398 ( 1.575 -1.742 -1.733) 2.919 32.450 ( -0.310 -0.299 -1.272) 1.343 34.470 ( 9.518 9.215 13.773) 19.110 34.898 ( -10.145 6.026 9.965) 15.445 35.918 ( 8.112 -7.065 -3.960) 11.463 36.202 ( -4.805 -9.403 -6.069) 12.179 ======================= Grid point 24 (16/144) ======================= q-point: (-0.50 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 0.000 -5.245 -19.746) 20.431 2.637 ( 0.000 8.378 -3.180) 8.961 3.350 ( -0.000 8.556 -1.342) 8.661 3.434 ( 0.000 3.144 0.499) 3.183 4.269 ( 0.000 15.816 43.217) 46.020 4.461 ( 0.000 4.814 47.571) 47.814 5.203 ( 0.000 11.318 21.197) 24.030 5.873 ( 0.000 13.357 25.858) 29.104 6.949 ( 0.000 26.865 25.689) 37.171 6.991 ( -0.000 25.374 20.000) 32.308 9.780 ( 0.000 -5.841 -12.660) 13.943 9.804 ( -0.000 -1.710 -4.281) 4.610 9.959 ( 0.000 1.345 0.637) 1.488 10.089 ( -0.000 8.749 11.396) 14.367 10.982 ( -0.000 -7.349 -15.720) 17.353 11.038 ( 0.000 -7.962 -10.687) 13.327 11.898 ( 0.000 3.906 -9.604) 10.368 12.110 ( -0.000 10.936 -17.708) 20.813 12.824 ( 0.000 -9.293 -0.294) 9.298 12.856 ( -0.000 -11.531 -4.300) 12.307 15.199 ( 0.000 -8.166 16.806) 18.685 15.540 ( 0.000 -0.487 9.717) 9.729 20.522 ( 0.000 -14.058 -11.634) 18.247 20.637 ( -0.000 -9.813 -7.383) 12.280 22.929 ( 0.000 7.312 1.516) 7.467 23.060 ( 0.000 10.043 -2.739) 10.410 23.279 ( 0.000 -4.958 -0.129) 4.960 23.718 ( 0.000 4.748 -1.632) 5.020 32.108 ( 0.000 3.557 -1.099) 3.723 32.212 ( 0.000 5.750 -1.319) 5.899 32.419 ( -0.000 -1.302 -1.318) 1.853 32.442 ( 0.000 -0.574 -1.873) 1.959 34.658 ( 0.000 7.345 12.422) 14.431 34.705 ( 0.000 8.560 12.043) 14.775 36.057 ( 0.000 -8.767 -5.083) 10.134 36.098 ( -0.000 -8.309 -5.757) 10.108 ======================= Grid point 28 (17/144) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 0.000 -4.521 -4.527) 6.398 2.439 ( 0.000 -1.686 7.312) 7.504 2.887 ( 0.000 9.577 19.172) 21.431 3.739 ( 0.000 12.443 10.937) 16.566 5.258 ( 0.000 23.612 22.407) 32.551 5.683 ( 0.000 16.002 49.852) 52.357 6.077 ( 0.000 11.201 37.929) 39.549 7.151 ( 0.000 -9.312 -13.497) 16.397 7.302 ( 0.000 -3.503 -3.478) 4.936 8.232 ( 0.000 20.276 19.695) 28.267 8.283 ( 0.000 1.103 -4.227) 4.368 9.070 ( 0.000 5.649 -4.937) 7.502 9.819 ( 0.000 -2.441 -11.666) 11.918 10.211 ( 0.000 6.354 0.802) 6.405 10.707 ( 0.000 3.857 -25.371) 25.662 10.895 ( 0.000 10.580 4.757) 11.601 11.748 ( 0.000 -21.237 -9.843) 23.407 11.848 ( 0.000 -5.946 -1.470) 6.125 12.843 ( 0.000 -3.546 -0.447) 3.574 13.048 ( 0.000 7.072 -3.821) 8.038 14.948 ( 0.000 -7.087 5.413) 8.918 16.717 ( 0.000 10.406 33.146) 34.741 18.637 ( 0.000 -17.574 -16.869) 24.360 20.997 ( 0.000 -14.629 -23.568) 27.739 22.935 ( 0.000 0.233 6.521) 6.525 23.045 ( 0.000 6.960 0.798) 7.006 23.499 ( 0.000 3.266 -0.596) 3.320 24.213 ( 0.000 2.911 -3.208) 4.332 32.130 ( 0.000 2.982 -0.107) 2.984 32.238 ( 0.000 4.101 -2.044) 4.582 32.295 ( 0.000 -2.325 -1.265) 2.646 32.432 ( 0.000 -0.032 -1.125) 1.125 34.631 ( 0.000 10.037 13.813) 17.075 35.299 ( 0.000 3.355 6.827) 7.607 35.606 ( 0.000 -5.720 -3.037) 6.476 36.097 ( 0.000 -7.926 -5.598) 9.704 ======================= Grid point 29 (18/144) ======================= q-point: ( 0.17 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 25.448 4.275 -2.313) 25.908 2.079 ( -15.522 -4.770 12.872) 20.721 2.976 ( 3.446 7.987 6.667) 10.959 3.726 ( 0.663 9.479 5.624) 11.042 5.318 ( -13.243 13.586 17.889) 26.076 5.671 ( -3.593 11.655 46.852) 48.414 6.017 ( 1.313 3.663 18.377) 18.784 6.483 ( -13.278 14.708 27.415) 33.827 7.715 ( -25.622 8.867 2.497) 27.228 8.042 ( 13.546 12.214 1.605) 18.310 8.585 ( 25.229 0.542 9.055) 26.810 9.247 ( 13.141 0.133 -17.168) 21.620 9.837 ( 2.567 -3.210 -10.680) 11.444 10.203 ( -0.040 6.454 0.259) 6.459 10.744 ( -3.599 4.283 -5.758) 8.028 10.937 ( 9.891 8.226 -10.433) 16.563 11.589 ( -10.286 -12.310 -7.026) 17.512 11.982 ( 7.715 -11.025 -4.789) 14.284 12.756 ( -7.767 -1.586 -1.358) 8.043 13.019 ( -3.629 2.184 -3.764) 5.666 14.995 ( 5.164 -6.847 5.671) 10.282 16.465 ( -21.437 5.277 24.951) 33.315 18.962 ( 28.628 -13.192 -10.069) 33.090 21.001 ( -1.288 -13.988 -21.838) 25.966 22.889 ( -3.071 1.463 6.444) 7.286 23.074 ( 2.164 7.051 0.522) 7.394 23.440 ( -5.092 2.621 -0.157) 5.729 24.110 ( -9.776 3.092 -3.298) 10.770 32.130 ( -0.045 2.914 -0.192) 2.921 32.237 ( -0.016 3.994 -1.691) 4.337 32.311 ( 1.385 -2.134 -1.654) 3.035 32.429 ( -0.303 -0.113 -1.338) 1.377 34.682 ( 4.999 10.012 13.664) 17.661 35.262 ( -3.555 4.688 8.285) 10.161 35.651 ( 4.138 -6.598 -3.871) 8.697 36.066 ( -3.017 -8.477 -6.281) 10.973 ======================= Grid point 30 (19/144) ======================= q-point: ( 0.33 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -12.552 -2.090 -5.651) 13.923 2.485 ( 20.452 -2.519 -1.715) 20.678 3.025 ( 7.069 6.602 -2.008) 9.879 3.739 ( -5.471 4.330 -2.607) 7.448 4.783 ( -17.144 -2.708 4.927) 18.042 5.463 ( -16.985 9.021 34.086) 39.137 6.110 ( 0.764 17.121 47.655) 50.644 6.610 ( 8.600 17.092 35.850) 40.636 7.304 ( -2.787 16.366 7.353) 18.158 8.003 ( -12.299 25.750 19.960) 34.824 9.157 ( 22.730 -7.642 -12.234) 26.921 9.462 ( 7.058 -2.594 -23.953) 25.105 9.951 ( 7.880 -3.186 -4.310) 9.530 10.258 ( 6.883 -0.226 -3.526) 7.737 10.602 ( -6.425 9.343 7.205) 13.434 11.074 ( -7.259 -6.905 -11.492) 15.246 11.506 ( 9.385 1.489 -10.195) 13.937 12.075 ( -0.942 -3.822 -6.965) 8.000 12.608 ( -3.894 -4.925 -2.961) 6.942 12.888 ( -9.110 -4.390 -3.508) 10.704 15.169 ( 12.190 -6.398 7.314) 15.589 15.998 ( -23.226 -0.717 14.532) 27.407 19.630 ( 35.760 -9.152 -4.509) 37.187 20.846 ( -16.094 -11.117 -14.209) 24.177 22.889 ( 4.424 2.353 3.235) 5.964 23.108 ( 0.381 7.361 -0.654) 7.400 23.335 ( -4.435 1.171 0.713) 4.642 23.870 ( -12.525 3.532 -3.344) 13.437 32.128 ( -0.063 2.768 -0.295) 2.785 32.238 ( 0.072 3.918 -1.289) 4.126 32.344 ( 1.907 -1.664 -2.007) 3.230 32.416 ( -1.073 -0.401 -1.835) 2.163 34.819 ( 8.360 9.788 13.401) 18.582 35.160 ( -6.659 7.239 10.975) 14.738 35.753 ( 5.737 -8.217 -5.555) 11.458 35.984 ( -4.976 -9.390 -7.309) 12.898 ======================= Grid point 31 (20/144) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 0.000 -13.201 -24.215) 27.580 2.550 ( 0.000 1.734 -10.058) 10.207 3.339 ( 0.000 2.878 -2.910) 4.093 3.434 ( 0.000 1.348 -1.858) 2.295 4.985 ( 0.000 -1.919 12.785) 12.928 4.989 ( -0.000 9.739 20.554) 22.745 6.106 ( 0.000 19.016 52.996) 56.304 6.604 ( 0.000 13.644 39.162) 41.471 7.564 ( 0.000 22.503 13.238) 26.108 7.698 ( -0.000 26.578 23.281) 35.333 9.377 ( 0.000 -7.324 -24.454) 25.528 9.533 ( 0.000 -2.432 -22.449) 22.580 10.041 ( 0.000 0.849 4.991) 5.062 10.344 ( 0.000 0.905 3.578) 3.690 10.713 ( 0.000 1.823 -1.918) 2.646 10.764 ( 0.000 -9.573 -7.538) 12.185 11.753 ( 0.000 0.136 -10.276) 10.277 11.951 ( -0.000 7.929 -10.394) 13.073 12.645 ( 0.000 -10.922 -5.095) 12.052 12.723 ( -0.000 -6.592 -1.565) 6.775 15.393 ( 0.000 -6.238 12.464) 13.938 15.662 ( 0.000 -2.896 6.362) 6.990 20.226 ( 0.000 -10.197 -7.242) 12.507 20.448 ( -0.000 -6.772 -4.696) 8.241 23.027 ( 0.000 5.182 1.913) 5.524 23.043 ( -0.000 1.972 -4.254) 4.689 23.294 ( 0.000 2.673 1.785) 3.214 23.716 ( 0.000 3.882 -2.963) 4.884 32.128 ( 0.000 2.693 -0.321) 2.712 32.239 ( 0.000 3.854 -1.152) 4.023 32.377 ( -0.000 -1.102 -1.621) 1.961 32.392 ( 0.000 -0.801 -2.557) 2.679 34.977 ( 0.000 8.698 13.243) 15.844 35.021 ( -0.000 9.398 12.282) 15.465 35.857 ( 0.000 -9.347 -6.819) 11.570 35.888 ( -0.000 -9.415 -7.276) 11.899 ======================= Grid point 35 (21/144) ======================= q-point: ( 0.00 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 0.000 -2.181 -1.799) 2.827 2.516 ( 0.000 -0.366 2.383) 2.411 3.180 ( 0.000 3.499 5.834) 6.803 4.005 ( 0.000 5.041 6.411) 8.156 5.718 ( 0.000 10.583 8.385) 13.502 6.404 ( 0.000 4.223 12.006) 12.727 6.514 ( 0.000 -4.942 6.949) 8.527 6.945 ( 0.000 -4.029 4.320) 5.908 7.515 ( 0.000 12.942 18.509) 22.585 8.118 ( 0.000 -6.027 -11.664) 13.129 8.583 ( 0.000 10.179 -0.188) 10.181 9.091 ( 0.000 2.185 1.849) 2.862 9.513 ( 0.000 -3.433 -10.591) 11.134 10.298 ( 0.000 1.873 1.394) 2.335 10.435 ( 0.000 4.311 -8.116) 9.190 11.109 ( 0.000 8.234 4.294) 9.286 11.394 ( 0.000 -12.433 -6.594) 14.074 11.766 ( 0.000 -4.216 -1.031) 4.340 12.814 ( 0.000 -1.168 -0.130) 1.175 13.051 ( 0.000 2.497 -1.323) 2.826 14.976 ( 0.000 -2.452 2.571) 3.553 17.253 ( 0.000 4.529 14.623) 15.308 18.291 ( 0.000 -6.743 -6.489) 9.359 20.546 ( 0.000 -6.253 -11.276) 12.893 23.040 ( 0.000 -0.014 3.885) 3.885 23.105 ( 0.000 2.546 0.286) 2.562 23.495 ( 0.000 1.100 -1.550) 1.901 24.179 ( 0.000 1.045 -1.953) 2.216 32.156 ( 0.000 1.431 0.262) 1.455 32.242 ( 0.000 1.426 -0.715) 1.595 32.254 ( 0.000 -1.256 -0.848) 1.515 32.415 ( 0.000 -0.008 -0.530) 0.530 34.920 ( 0.000 5.786 7.179) 9.221 35.436 ( 0.000 2.170 3.851) 4.420 35.485 ( 0.000 -4.231 -3.160) 5.281 35.947 ( 0.000 -3.753 -3.229) 4.950 ======================= Grid point 36 (22/144) ======================= q-point: ( 0.17 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 39.147 1.214 -0.700) 39.172 2.215 ( -25.832 -1.404 4.965) 26.343 3.122 ( -5.649 3.282 2.552) 7.014 3.861 ( -7.871 3.518 1.942) 8.838 5.391 ( -44.048 -2.520 -3.008) 44.223 6.173 ( 8.787 5.030 9.026) 13.564 6.652 ( 10.527 6.526 27.398) 30.068 7.216 ( 7.457 9.559 22.436) 25.502 7.741 ( 1.453 5.521 0.693) 5.751 7.990 ( 9.087 -5.091 -6.010) 12.025 8.688 ( 5.897 4.093 -13.260) 15.078 9.134 ( 5.067 3.424 7.112) 9.379 9.503 ( -0.076 -3.375 -12.880) 13.315 10.296 ( 0.558 0.620 0.500) 0.972 10.588 ( 12.294 2.895 -4.976) 13.576 11.071 ( -3.221 8.016 3.866) 9.464 11.332 ( -5.016 -9.197 -5.882) 12.014 11.832 ( 5.710 -5.226 -1.943) 7.981 12.730 ( -8.176 -0.701 -0.270) 8.210 12.984 ( -6.523 0.930 -1.639) 6.790 15.027 ( 5.606 -2.360 2.590) 6.612 16.809 ( -32.488 1.166 8.809) 33.682 18.783 ( 37.075 -3.751 -1.293) 37.287 20.580 ( 2.196 -5.899 -10.452) 12.201 23.001 ( -3.019 0.425 3.797) 4.869 23.132 ( 1.927 2.562 0.234) 3.214 23.437 ( -5.086 0.857 -1.420) 5.350 24.079 ( -9.440 1.208 -1.836) 9.692 32.154 ( -0.218 1.318 0.218) 1.354 32.244 ( 0.241 1.478 -0.645) 1.631 32.267 ( 1.256 -1.164 -0.904) 1.937 32.409 ( -0.659 -0.054 -0.625) 0.910 34.973 ( 5.291 6.074 7.421) 10.953 35.439 ( 0.116 3.343 5.075) 6.078 35.510 ( 2.207 -4.874 -3.704) 6.508 35.891 ( -5.358 -4.629 -4.229) 8.247 ======================= Grid point 37 (23/144) ======================= q-point: ( 0.33 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -39.822 0.340 0.632) 39.829 2.402 ( 15.721 -2.216 -2.811) 16.123 3.030 ( 4.521 2.027 -1.493) 5.175 3.716 ( -11.599 0.939 -1.714) 11.763 4.786 ( -5.175 -1.781 0.519) 5.497 5.896 ( -30.357 3.307 8.707) 31.754 7.093 ( 14.737 5.989 39.111) 42.222 7.377 ( 14.054 14.346 18.800) 27.509 7.565 ( -1.749 8.905 10.564) 13.927 8.281 ( 5.189 1.996 -8.593) 10.235 8.755 ( 2.230 -4.117 -21.231) 21.742 9.153 ( -6.578 3.179 -5.584) 9.195 9.714 ( 23.157 -5.982 -6.663) 24.828 10.309 ( -0.229 1.205 2.383) 2.680 10.727 ( -3.134 -2.331 -1.643) 4.238 11.013 ( -3.067 8.560 6.510) 11.183 11.322 ( 8.603 -4.248 -8.772) 13.000 11.934 ( 2.104 -3.336 -3.107) 5.021 12.537 ( -8.187 -1.478 -1.056) 8.386 12.806 ( -10.574 -1.646 -1.719) 10.839 15.220 ( 13.973 -2.233 2.959) 14.456 16.169 ( -29.973 -0.846 5.211) 30.434 19.538 ( 36.124 -2.791 -0.022) 36.232 20.552 ( -7.170 -4.665 -7.072) 11.099 22.962 ( 0.203 0.723 2.237) 2.360 23.151 ( -1.378 2.564 -0.371) 2.934 23.345 ( -2.322 0.676 -0.410) 2.453 23.849 ( -11.868 1.533 -1.512) 12.062 32.149 ( -0.180 1.160 0.159) 1.184 32.249 ( 0.189 1.401 -0.528) 1.509 32.302 ( 2.116 -0.798 -0.987) 2.468 32.387 ( -1.597 -0.195 -0.835) 1.813 35.121 ( 9.099 7.074 8.498) 14.319 35.422 ( -2.573 6.755 8.758) 11.356 35.563 ( 3.007 -6.559 -5.530) 9.091 35.756 ( -7.279 -7.464 -7.284) 12.718 ======================= Grid point 38 (24/144) ======================= q-point: (-0.50 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 0.000 -9.287 -14.959) 17.607 2.399 ( 0.000 -0.122 -5.371) 5.372 3.328 ( 0.000 0.765 -0.591) 0.967 3.415 ( -0.000 0.415 -0.923) 1.013 5.097 ( 0.000 -0.478 2.752) 2.793 5.268 ( 0.000 2.768 5.232) 5.919 7.179 ( 0.000 9.486 42.144) 43.198 7.423 ( 0.000 9.754 30.327) 31.856 7.826 ( 0.000 9.642 -5.517) 11.109 8.229 ( 0.000 11.945 11.375) 16.495 8.803 ( 0.000 -6.977 -25.767) 26.695 9.034 ( 0.000 -4.155 -21.421) 21.820 10.128 ( 0.000 -0.057 3.292) 3.292 10.229 ( 0.000 -5.389 -3.853) 6.625 10.607 ( 0.000 -3.420 -2.424) 4.192 10.969 ( 0.000 11.432 11.341) 16.103 11.514 ( 0.000 -6.466 -10.671) 12.477 11.889 ( 0.000 2.776 -2.987) 4.078 12.494 ( 0.000 -4.259 -2.137) 4.765 12.648 ( 0.000 -2.520 -1.033) 2.723 15.508 ( 0.000 -2.286 4.704) 5.230 15.720 ( 0.000 -1.392 2.513) 2.873 20.061 ( 0.000 -3.852 -2.634) 4.666 20.333 ( -0.000 -2.694 -2.080) 3.404 23.000 ( 0.000 0.350 -1.480) 1.521 23.091 ( 0.000 1.839 0.884) 2.040 23.345 ( 0.000 1.683 0.713) 1.827 23.703 ( 0.000 1.619 -1.342) 2.102 32.147 ( 0.000 1.099 0.134) 1.107 32.251 ( 0.000 1.347 -0.456) 1.423 32.347 ( -0.000 -0.420 -0.685) 0.804 32.347 ( 0.000 -0.455 -1.295) 1.373 35.294 ( 0.000 8.582 11.012) 13.962 35.323 ( -0.000 8.646 9.855) 13.109 35.620 ( 0.000 -8.764 -8.494) 12.205 35.650 ( -0.000 -8.709 -7.972) 11.807 ======================= Grid point 84 (25/144) ======================= q-point: ( 0.00 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 0.000 0.000 23.501) 23.501 1.459 ( 0.000 0.000 39.924) 39.924 2.079 ( 0.000 0.000 45.221) 45.221 2.529 ( 0.000 0.000 39.122) 39.122 2.839 ( 0.000 0.000 61.863) 61.863 2.844 ( 0.000 0.000 20.519) 20.519 4.195 ( 0.000 0.000 35.832) 35.832 6.152 ( 0.000 0.000 23.424) 23.424 8.016 ( 0.000 -0.000 -11.437) 11.437 8.124 ( 0.000 0.000 1.787) 1.787 8.523 ( 0.000 -0.000 -1.786) 1.786 9.096 ( 0.000 -0.000 -17.294) 17.294 9.103 ( 0.000 0.000 13.793) 13.793 10.552 ( 0.000 -0.000 -7.024) 7.024 10.875 ( 0.000 -0.000 -5.529) 5.529 11.602 ( 0.000 -0.000 -24.657) 24.657 12.041 ( 0.000 -0.000 -1.274) 1.274 12.514 ( 0.000 -0.000 -4.987) 4.987 12.812 ( 0.000 -0.000 -2.954) 2.954 13.030 ( 0.000 -0.000 -0.753) 0.753 14.980 ( 0.000 0.000 38.415) 38.415 15.131 ( 0.000 0.000 2.666) 2.666 20.202 ( 0.000 -0.000 -34.876) 34.876 22.384 ( 0.000 -0.000 -22.512) 22.512 22.690 ( 0.000 0.000 3.740) 3.740 22.739 ( 0.000 0.000 4.056) 4.056 23.377 ( 0.000 0.000 7.410) 7.410 23.868 ( 0.000 0.000 10.794) 10.794 32.039 ( 0.000 -0.000 -0.543) 0.543 32.096 ( 0.000 -0.000 -0.750) 0.750 32.391 ( 0.000 -0.000 -0.118) 0.118 32.441 ( 0.000 0.000 0.985) 0.985 33.816 ( 0.000 0.000 13.405) 13.405 35.050 ( 0.000 0.000 2.650) 2.650 35.767 ( 0.000 -0.000 -0.065) 0.065 36.590 ( 0.000 -0.000 -6.123) 6.123 ======================= Grid point 85 (26/144) ======================= q-point: ( 0.17 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 9.274 0.000 19.339) 21.448 1.527 ( 26.066 0.000 25.351) 36.361 2.230 ( 8.950 0.000 40.868) 41.836 2.732 ( -2.809 0.000 45.085) 45.173 2.762 ( 18.401 0.000 45.666) 49.234 3.098 ( 18.299 0.000 31.818) 36.705 4.366 ( 16.721 0.000 34.362) 38.214 6.072 ( -9.020 0.000 19.124) 21.145 7.270 ( -52.566 -0.000 -8.941) 53.321 7.500 ( -41.019 0.000 0.930) 41.030 8.922 ( 19.775 0.000 5.269) 20.465 9.293 ( 18.477 0.000 7.047) 19.776 9.676 ( 36.322 -0.000 -14.070) 38.952 10.512 ( -4.501 -0.000 -5.337) 6.981 10.766 ( -8.531 -0.000 -4.521) 9.655 11.697 ( 7.864 -0.000 -24.826) 26.042 11.932 ( -8.948 -0.000 -1.920) 9.152 12.482 ( -3.901 -0.000 -8.158) 9.042 12.824 ( 2.035 -0.000 -1.498) 2.527 13.139 ( 6.594 -0.000 -3.614) 7.519 15.020 ( 3.517 0.000 35.336) 35.511 15.128 ( 0.024 0.000 5.420) 5.420 20.317 ( 11.349 -0.000 -33.241) 35.124 22.221 ( -19.705 -0.000 -14.995) 24.762 22.704 ( 1.347 0.000 3.740) 3.975 22.714 ( 1.743 -0.000 -1.907) 2.584 23.323 ( -2.317 0.000 7.433) 7.786 23.819 ( -4.793 0.000 9.809) 10.917 32.046 ( 0.565 -0.000 -0.586) 0.814 32.092 ( -0.314 -0.000 -0.704) 0.771 32.429 ( 2.531 -0.000 -0.902) 2.687 32.443 ( 0.230 0.000 0.854) 0.884 33.885 ( 6.842 0.000 13.041) 14.726 34.920 ( -11.414 0.000 4.092) 12.125 35.881 ( 9.721 -0.000 -1.161) 9.790 36.575 ( -2.164 -0.000 -6.605) 6.950 ======================= Grid point 86 (27/144) ======================= q-point: ( 0.33 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 19.904 0.000 15.901) 25.475 1.936 ( 12.204 0.000 32.414) 34.635 2.461 ( 15.481 0.000 28.712) 32.620 2.714 ( 0.277 0.000 45.832) 45.833 3.133 ( 21.517 0.000 37.081) 42.872 3.563 ( 24.274 0.000 17.981) 30.209 4.769 ( 19.676 0.000 31.618) 37.240 5.655 ( -35.907 -0.000 -2.309) 35.982 6.402 ( -25.738 0.000 14.410) 29.497 6.693 ( -36.727 0.000 2.877) 36.840 9.299 ( 20.275 0.000 9.582) 22.426 9.705 ( 19.944 -0.000 -0.839) 19.962 10.089 ( -2.102 -0.000 -3.445) 4.036 10.299 ( -14.781 -0.000 -3.742) 15.247 10.827 ( 19.378 -0.000 -6.652) 20.488 11.659 ( -14.380 -0.000 -4.406) 15.039 11.924 ( 10.135 -0.000 -21.880) 24.113 12.349 ( -9.027 -0.000 -13.549) 16.281 12.912 ( 6.485 -0.000 -0.451) 6.501 13.178 ( -2.897 -0.000 -2.884) 4.088 15.095 ( 3.346 0.000 28.039) 28.238 15.138 ( 0.662 0.000 11.602) 11.621 20.642 ( 20.790 -0.000 -28.839) 35.551 21.695 ( -29.289 -0.000 -15.119) 32.961 22.740 ( 2.145 0.000 3.524) 4.125 22.777 ( 2.212 -0.000 -1.706) 2.793 23.351 ( 5.275 0.000 4.364) 6.847 23.685 ( -8.263 0.000 7.190) 10.953 32.059 ( 0.686 -0.000 -0.533) 0.869 32.084 ( -0.520 -0.000 -0.596) 0.791 32.450 ( 0.445 0.000 0.554) 0.711 32.460 ( 0.569 -0.000 -0.444) 0.721 34.078 ( 12.089 0.000 11.613) 16.764 34.650 ( -14.852 0.000 6.715) 16.300 36.100 ( 11.475 -0.000 -2.902) 11.836 36.487 ( -6.639 -0.000 -5.921) 8.896 ======================= Grid point 87 (28/144) ======================= q-point: (-0.50 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -0.127 0.000 32.406) 32.406 2.028 ( 0.127 0.000 32.406) 32.406 2.689 ( -1.218 0.000 39.872) 39.890 2.689 ( 1.218 0.000 39.872) 39.890 3.671 ( -18.304 0.000 8.294) 20.096 3.671 ( 18.304 0.000 8.294) 20.096 5.058 ( -7.791 0.000 14.484) 16.446 5.058 ( 7.791 0.000 14.484) 16.446 6.219 ( -5.719 0.000 13.248) 14.430 6.219 ( 5.719 0.000 13.248) 14.430 9.744 ( -23.177 0.000 7.849) 24.470 9.744 ( 23.177 0.000 7.849) 24.470 10.045 ( -13.939 -0.000 -5.394) 14.946 10.045 ( 13.939 -0.000 -5.394) 14.946 11.290 ( -22.235 -0.000 -5.825) 22.986 11.290 ( 22.235 -0.000 -5.825) 22.986 12.143 ( -7.197 0.000 -18.463) 19.816 12.143 ( 7.197 0.000 -18.463) 19.816 13.061 ( -6.349 0.000 -1.157) 6.453 13.061 ( 6.349 0.000 -1.157) 6.453 15.138 ( -0.052 0.000 19.539) 19.539 15.138 ( 0.052 0.000 19.539) 19.539 21.125 ( -27.037 -0.000 -22.443) 35.138 21.125 ( 27.037 -0.000 -22.443) 35.138 22.780 ( -0.300 0.000 2.222) 2.242 22.780 ( 0.300 0.000 2.222) 2.242 23.505 ( -4.623 0.000 4.281) 6.301 23.505 ( 4.623 0.000 4.281) 6.301 32.072 ( -0.104 0.000 -0.516) 0.526 32.072 ( 0.104 0.000 -0.516) 0.526 32.459 ( -0.167 0.000 0.184) 0.249 32.459 ( 0.167 0.000 0.184) 0.249 34.350 ( -14.691 0.000 9.361) 17.420 34.350 ( 14.691 0.000 9.361) 17.420 36.318 ( -9.777 -0.000 -4.504) 10.765 36.318 ( 9.777 -0.000 -4.504) 10.765 ======================= Grid point 91 (29/144) ======================= q-point: ( 0.00 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 0.000 -11.763 9.452) 15.090 2.188 ( 0.000 2.112 38.507) 38.565 2.613 ( 0.000 -23.309 28.465) 36.791 3.250 ( 0.000 -6.155 38.139) 38.633 3.598 ( 0.000 38.441 36.339) 52.898 3.982 ( 0.000 21.996 53.638) 57.973 4.954 ( 0.000 5.569 42.936) 43.296 6.685 ( 0.000 11.345 25.998) 28.366 7.731 ( 0.000 -6.857 -13.937) 15.532 8.194 ( 0.000 3.866 2.061) 4.381 8.366 ( 0.000 -18.266 -5.168) 18.983 8.873 ( 0.000 13.577 -12.734) 18.614 9.441 ( 0.000 6.190 19.146) 20.122 10.355 ( 0.000 0.759 -15.683) 15.702 10.780 ( 0.000 0.087 -4.050) 4.050 11.111 ( 0.000 2.081 -29.935) 30.007 12.003 ( 0.000 -2.443 -1.238) 2.739 12.378 ( 0.000 -6.546 -6.577) 9.279 12.812 ( 0.000 8.101 -2.670) 8.530 12.973 ( 0.000 -1.621 -4.088) 4.398 15.159 ( 0.000 -7.442 5.192) 9.074 15.769 ( 0.000 3.467 44.823) 44.957 19.522 ( 0.000 -6.129 -34.881) 35.415 21.853 ( 0.000 -5.977 -31.187) 31.754 22.805 ( 0.000 3.376 6.175) 7.038 22.835 ( 0.000 -0.738 6.963) 7.002 23.486 ( 0.000 -6.827 8.375) 10.805 24.031 ( 0.000 8.785 1.282) 8.878 32.043 ( 0.000 1.684 -0.020) 1.684 32.108 ( 0.000 4.059 -0.738) 4.126 32.380 ( 0.000 -1.386 -0.386) 1.438 32.443 ( 0.000 0.424 -0.951) 1.041 34.109 ( 0.000 3.844 16.236) 16.685 35.128 ( 0.000 0.226 5.894) 5.898 35.756 ( 0.000 -1.594 -0.515) 1.675 36.433 ( 0.000 -3.904 -8.389) 9.253 ======================= Grid point 92 (30/144) ======================= q-point: ( 0.17 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 1.281 -16.997 16.597) 23.791 1.947 ( 15.694 4.642 16.973) 23.579 2.823 ( 7.182 -16.877 31.256) 36.240 3.376 ( 7.607 -2.205 31.918) 32.886 3.708 ( 9.666 28.749 43.407) 52.954 4.053 ( 6.994 23.031 50.760) 56.178 5.109 ( 15.562 6.177 41.993) 45.207 6.396 ( -33.004 4.693 5.309) 33.756 7.173 ( -27.652 -5.789 11.161) 30.376 7.579 ( -39.285 9.771 0.544) 40.486 8.945 ( 30.056 -7.481 -1.135) 30.994 9.380 ( 30.619 1.039 -9.423) 32.053 9.540 ( 11.893 7.505 8.178) 16.268 10.358 ( 0.741 0.820 -13.101) 13.148 10.682 ( -8.869 -0.263 -3.403) 9.503 11.216 ( 9.973 2.405 -28.277) 30.080 11.886 ( -10.575 -2.754 -2.193) 11.146 12.337 ( -5.380 -0.705 -7.759) 9.468 12.793 ( 0.505 0.144 -2.024) 2.091 13.057 ( 5.016 0.044 -5.469) 7.421 15.186 ( 3.029 -7.298 6.186) 10.035 15.733 ( -3.587 2.669 39.475) 39.727 19.684 ( 15.785 -5.753 -31.267) 35.495 21.789 ( -9.622 -4.973 -28.184) 30.194 22.753 ( -4.041 -0.926 6.803) 7.966 22.829 ( 1.236 4.450 5.674) 7.316 23.434 ( -3.632 -6.124 8.273) 10.915 23.955 ( -7.212 7.316 0.550) 10.288 32.047 ( 0.359 1.471 -0.083) 1.516 32.106 ( -0.211 3.981 -0.583) 4.029 32.403 ( 1.761 -1.521 -1.071) 2.562 32.445 ( 0.168 0.580 -1.053) 1.214 34.170 ( 5.929 3.776 15.728) 17.227 35.029 ( -8.899 0.957 7.303) 11.551 35.846 ( 7.818 -2.115 -1.673) 8.270 36.415 ( -1.997 -3.918 -8.376) 9.460 ======================= Grid point 93 (31/144) ======================= q-point: ( 0.33 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 22.412 -17.824 -0.154) 28.635 2.505 ( 23.985 3.679 20.583) 31.820 2.903 ( 2.787 -12.695 22.802) 26.246 3.455 ( -1.084 19.192 24.178) 30.888 3.894 ( 8.898 4.397 39.992) 41.205 4.208 ( 6.466 18.767 44.412) 48.646 5.442 ( 1.675 1.105 31.194) 31.258 5.609 ( -23.441 2.778 6.639) 24.521 6.747 ( -22.251 2.203 13.145) 25.937 6.895 ( -21.908 13.173 20.579) 32.817 9.456 ( 22.640 -0.664 2.392) 22.776 9.701 ( 11.275 -0.213 4.770) 12.244 9.903 ( 8.869 0.711 -17.113) 19.288 10.289 ( -14.213 1.713 1.327) 14.377 10.667 ( 17.256 -2.457 -10.225) 20.208 11.441 ( 5.774 0.494 -19.621) 20.459 11.643 ( -7.820 -0.283 -8.081) 11.249 12.148 ( -12.897 4.738 -10.874) 17.522 12.859 ( 5.621 -4.325 -2.563) 7.541 13.091 ( -2.134 -1.828 -5.544) 6.215 15.287 ( 6.770 -7.098 10.308) 14.229 15.632 ( -6.310 1.247 27.411) 28.155 20.123 ( 27.359 -4.759 -23.714) 36.517 21.383 ( -29.387 -3.323 -18.441) 34.852 22.771 ( 4.821 0.507 2.557) 5.481 22.862 ( 1.778 4.965 4.951) 7.234 23.396 ( 0.672 -6.150 4.838) 7.854 23.767 ( -10.737 5.110 -1.010) 11.934 32.055 ( 0.353 0.923 -0.144) 0.999 32.102 ( -0.173 4.134 -0.370) 4.154 32.431 ( 0.898 -1.327 -1.500) 2.195 32.449 ( 0.189 0.457 -1.346) 1.434 34.335 ( 10.299 3.513 14.377) 18.031 34.813 ( -12.054 2.134 9.943) 15.770 36.025 ( 9.477 -2.901 -3.801) 10.615 36.343 ( -5.304 -3.766 -7.603) 10.006 ======================= Grid point 94 (32/144) ======================= q-point: (-0.50 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -0.000 -28.404 5.076) 28.854 2.740 ( 0.000 -0.003 28.989) 28.989 2.978 ( 0.000 9.538 -4.252) 10.443 3.347 ( -0.000 15.964 19.238) 24.999 4.016 ( 0.000 -0.026 33.129) 33.129 4.236 ( 0.000 15.217 41.886) 44.564 5.241 ( -0.000 -12.539 18.447) 22.305 5.562 ( 0.000 16.493 23.713) 28.884 6.579 ( 0.000 8.048 24.179) 25.483 6.612 ( -0.000 10.644 22.709) 25.079 9.847 ( 0.000 -2.640 -2.637) 3.731 9.861 ( -0.000 -2.436 -13.370) 13.590 9.925 ( 0.000 1.798 -1.808) 2.550 9.946 ( -0.000 5.025 10.029) 11.217 11.126 ( 0.000 -5.359 -10.493) 11.782 11.153 ( 0.000 -2.847 -7.900) 8.397 11.815 ( 0.000 2.045 -13.689) 13.841 11.884 ( -0.000 8.822 -17.317) 19.435 12.978 ( 0.000 -4.941 -3.335) 5.962 13.005 ( 0.000 -2.716 -4.787) 5.504 15.398 ( 0.000 -9.303 18.567) 20.768 15.527 ( 0.000 2.876 15.610) 15.873 20.720 ( 0.000 -5.304 -18.597) 19.339 20.753 ( -0.000 -1.841 -16.706) 16.807 22.836 ( 0.000 1.205 4.801) 4.950 22.884 ( 0.000 5.796 3.253) 6.646 23.444 ( 0.000 -9.065 -0.193) 9.067 23.608 ( -0.000 6.505 -0.717) 6.544 32.059 ( 0.000 0.547 -0.154) 0.568 32.100 ( 0.000 4.364 -0.291) 4.374 32.441 ( -0.000 -0.796 -1.381) 1.594 32.449 ( 0.000 -0.018 -1.581) 1.581 34.557 ( 0.000 2.196 12.492) 12.684 34.574 ( -0.000 3.806 12.349) 12.922 36.197 ( 0.000 -4.265 -5.747) 7.157 36.215 ( -0.000 -2.615 -6.071) 6.610 ======================= Grid point 98 (33/144) ======================= q-point: ( 0.00 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 0.000 -17.596 3.211) 17.887 2.802 ( 0.000 -29.442 24.101) 38.049 2.864 ( 0.000 -2.804 35.738) 35.848 3.732 ( 0.000 -14.249 28.014) 31.430 4.637 ( 0.000 35.927 31.370) 47.695 5.193 ( 0.000 31.815 46.891) 56.665 5.822 ( 0.000 11.092 42.842) 44.254 7.105 ( 0.000 9.110 1.148) 9.182 7.400 ( 0.000 -4.583 -15.191) 15.867 8.165 ( 0.000 -11.165 6.762) 13.053 8.261 ( 0.000 0.906 2.009) 2.204 8.881 ( 0.000 12.453 -2.140) 12.635 9.816 ( 0.000 1.145 5.651) 5.766 10.057 ( 0.000 7.539 -10.911) 13.262 10.599 ( 0.000 4.985 -29.103) 29.527 10.757 ( 0.000 3.274 0.354) 3.294 11.949 ( 0.000 -3.878 -1.174) 4.052 12.132 ( 0.000 -14.451 -8.853) 16.948 12.863 ( 0.000 8.851 -1.523) 8.981 12.872 ( 0.000 0.356 -5.769) 5.780 15.179 ( 0.000 -11.917 8.050) 14.381 16.605 ( 0.000 1.760 42.852) 42.888 18.858 ( 0.000 -4.620 -31.601) 31.937 21.182 ( 0.000 -4.282 -35.699) 35.955 22.963 ( 0.000 1.459 8.069) 8.200 22.971 ( 0.000 -2.309 9.506) 9.782 23.534 ( 0.000 -7.668 4.914) 9.107 24.094 ( 0.000 9.071 -3.589) 9.755 32.071 ( 0.000 2.351 0.792) 2.480 32.144 ( 0.000 4.280 -0.064) 4.281 32.346 ( 0.000 -2.427 -1.291) 2.749 32.423 ( 0.000 0.895 -1.721) 1.940 34.456 ( 0.000 6.339 15.702) 16.934 35.261 ( 0.000 0.681 7.846) 7.875 35.706 ( 0.000 -3.627 -2.379) 4.337 36.224 ( 0.000 -4.265 -9.625) 10.528 ======================= Grid point 99 (34/144) ======================= q-point: ( 0.17 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 15.000 -17.401 8.440) 24.475 2.274 ( -10.927 -5.222 19.393) 22.864 3.122 ( 3.732 -22.310 26.110) 34.546 3.789 ( 4.441 -16.645 25.163) 30.495 4.768 ( 3.293 35.907 30.634) 47.314 5.247 ( 5.902 30.850 47.220) 56.713 5.925 ( 10.083 5.775 36.681) 38.478 6.335 ( -41.405 0.609 -1.622) 41.441 7.522 ( -21.786 6.004 14.373) 26.782 7.745 ( -12.283 12.410 6.821) 18.746 8.753 ( 32.102 -11.221 -4.859) 34.352 9.181 ( 20.437 5.791 -15.429) 26.254 9.841 ( 2.927 1.678 8.216) 8.882 10.077 ( 3.671 4.785 -13.730) 14.996 10.664 ( -7.069 2.386 -1.969) 7.717 10.785 ( 15.061 6.344 -20.032) 25.853 11.786 ( -13.133 -6.868 -3.769) 15.292 12.173 ( -0.053 -5.669 -7.011) 9.016 12.754 ( -4.365 0.129 -2.478) 5.021 12.963 ( 2.820 2.795 -5.809) 7.036 15.217 ( 4.319 -11.490 8.058) 14.683 16.428 ( -15.768 -0.575 34.007) 37.489 19.124 ( 24.409 -3.013 -24.363) 34.619 21.168 ( -3.196 -3.282 -33.993) 34.301 22.899 ( -4.819 -1.589 9.980) 11.196 22.987 ( 1.328 1.910 7.835) 8.173 23.488 ( -3.874 -7.713 5.200) 10.076 23.998 ( -8.958 8.101 -3.486) 12.571 32.073 ( 0.116 2.207 0.766) 2.339 32.144 ( 0.004 4.330 0.028) 4.330 32.358 ( 1.021 -2.261 -1.763) 3.043 32.423 ( 0.008 0.727 -1.765) 1.909 34.508 ( 5.067 6.323 15.307) 17.319 35.195 ( -6.041 1.993 8.988) 11.011 35.769 ( 5.580 -4.381 -3.381) 7.859 36.205 ( -2.000 -4.770 -9.638) 10.938 ======================= Grid point 100 (35/144) ======================= q-point: ( 0.33 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 1.000 -20.082 0.407) 20.111 2.735 ( 29.592 -7.470 8.708) 31.738 3.059 ( -8.492 -16.651 13.444) 23.024 3.828 ( -4.751 -13.006 17.019) 21.940 4.639 ( -6.811 17.976 19.077) 27.083 5.283 ( -6.187 16.368 41.093) 44.664 5.693 ( -10.932 13.356 26.039) 31.240 6.315 ( 9.073 11.385 38.571) 41.227 6.981 ( -13.378 12.834 7.483) 19.992 7.554 ( -12.977 15.558 29.290) 35.614 9.275 ( 18.161 -4.031 -17.155) 25.305 9.484 ( 7.784 0.012 -26.430) 27.553 9.931 ( 5.580 3.151 10.123) 11.981 10.298 ( 14.181 -1.350 -5.296) 15.197 10.480 ( -3.977 1.011 -1.541) 4.383 11.137 ( 12.933 1.867 -14.254) 19.337 11.497 ( -10.907 -2.534 -6.771) 13.086 12.047 ( -12.663 5.061 -6.746) 15.214 12.741 ( 3.242 -6.768 -3.883) 8.449 12.957 ( -3.437 -1.877 -6.530) 7.614 15.371 ( 11.219 -10.478 9.164) 17.878 16.062 ( -19.308 -4.152 20.741) 28.639 19.728 ( 33.938 -1.041 -16.228) 37.633 20.958 ( -19.411 -0.990 -25.161) 31.794 22.863 ( 2.759 0.429 6.467) 7.044 23.012 ( 0.492 2.161 6.982) 7.326 23.410 ( -3.353 -7.704 4.461) 9.513 23.780 ( -11.307 5.650 -2.529) 12.890 32.075 ( 0.116 1.898 0.740) 2.041 32.145 ( 0.043 4.503 0.133) 4.505 32.380 ( 1.155 -1.621 -2.251) 3.005 32.420 ( -0.456 0.116 -2.005) 2.059 34.650 ( 8.808 6.155 14.368) 17.942 35.041 ( -9.070 4.159 11.179) 14.985 35.899 ( 7.007 -5.445 -5.481) 10.430 36.142 ( -4.278 -5.602 -9.139) 11.542 ======================= Grid point 101 (36/144) ======================= q-point: (-0.50 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 0.000 -29.797 -13.440) 32.688 2.802 ( 0.000 -14.056 -2.560) 14.287 3.147 ( 0.000 5.833 8.331) 10.170 3.669 ( 0.000 -17.434 19.395) 26.079 4.698 ( 0.000 16.411 25.731) 30.519 5.125 ( 0.000 -3.469 27.650) 27.866 5.638 ( 0.000 19.456 38.540) 43.173 6.230 ( 0.000 22.247 29.391) 36.861 7.185 ( 0.000 12.765 24.310) 27.458 7.226 ( -0.000 16.387 30.582) 34.695 9.467 ( 0.000 -2.581 -27.010) 27.133 9.536 ( -0.000 1.068 -25.544) 25.566 10.037 ( 0.000 -1.017 7.843) 7.908 10.226 ( 0.000 7.670 12.833) 14.950 10.837 ( 0.000 -9.966 -10.530) 14.498 10.941 ( 0.000 -6.764 -9.309) 11.507 11.668 ( 0.000 5.921 -9.029) 10.797 11.745 ( -0.000 10.557 -8.819) 13.756 12.846 ( 0.000 -7.008 -6.699) 9.695 12.851 ( -0.000 -5.210 -4.522) 6.899 15.598 ( -0.000 -11.323 14.755) 18.599 15.752 ( 0.000 -4.280 10.462) 11.304 20.352 ( 0.000 -2.988 -17.174) 17.432 20.475 ( -0.000 2.789 -15.184) 15.438 22.957 ( 0.000 1.623 6.367) 6.570 22.981 ( -0.000 2.685 1.777) 3.219 23.373 ( 0.000 -7.824 3.475) 8.561 23.642 ( 0.000 3.845 -0.566) 3.886 32.076 ( 0.000 1.739 0.738) 1.889 32.145 ( 0.000 4.607 0.155) 4.610 32.399 ( -0.000 -0.922 -2.006) 2.207 32.407 ( 0.000 -0.543 -2.497) 2.555 34.832 ( 0.000 5.019 13.331) 14.244 34.857 ( -0.000 6.131 12.765) 14.161 36.023 ( 0.000 -6.327 -7.421) 9.752 36.046 ( -0.000 -5.495 -7.842) 9.576 ======================= Grid point 105 (37/144) ======================= q-point: ( 0.00 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 0.000 -17.174 2.345) 17.334 2.897 ( 0.000 -32.539 21.636) 39.076 3.376 ( 0.000 -16.772 30.296) 34.628 4.014 ( 0.000 -9.903 17.474) 20.085 5.394 ( 0.000 20.389 20.363) 28.816 6.165 ( 0.000 21.683 23.100) 31.683 6.562 ( 0.000 2.127 17.268) 17.398 6.995 ( 0.000 -1.235 -7.104) 7.211 7.234 ( 0.000 11.923 4.460) 12.730 8.244 ( 0.000 -5.672 -3.028) 6.430 8.295 ( 0.000 12.271 0.265) 12.274 9.053 ( 0.000 3.046 11.162) 11.570 9.507 ( 0.000 3.152 -22.194) 22.417 10.251 ( 0.000 10.006 -14.903) 17.950 10.254 ( 0.000 2.351 8.854) 9.161 10.892 ( 0.000 10.399 6.574) 12.303 11.772 ( 0.000 -20.017 -10.350) 22.535 11.876 ( 0.000 -5.301 -1.992) 5.663 12.787 ( 0.000 3.632 -5.777) 6.824 12.934 ( 0.000 7.291 0.102) 7.292 15.195 ( 0.000 -15.639 8.797) 17.943 17.278 ( 0.000 -5.461 30.812) 31.292 18.321 ( 0.000 3.086 -25.684) 25.869 20.552 ( 0.000 4.339 -30.993) 31.295 23.107 ( 0.000 -5.074 8.461) 9.866 23.112 ( 0.000 -2.560 8.701) 9.070 23.511 ( 0.000 -3.792 0.232) 3.799 24.123 ( 0.000 4.738 -0.331) 4.750 32.116 ( 0.000 2.086 1.457) 2.544 32.192 ( 0.000 3.011 1.126) 3.214 32.292 ( 0.000 -2.093 -1.733) 2.718 32.407 ( 0.000 0.781 -0.917) 1.204 34.781 ( 0.000 6.630 11.975) 13.688 35.408 ( 0.000 0.688 6.961) 6.995 35.592 ( 0.000 -5.203 -4.909) 7.153 36.012 ( 0.000 -2.521 -9.373) 9.707 ======================= Grid point 106 (38/144) ======================= q-point: ( 0.17 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 27.055 -12.210 4.198) 29.977 2.515 ( -23.425 -17.902 19.401) 35.293 3.335 ( -6.717 -22.653 22.882) 32.892 3.984 ( -1.050 -18.957 17.656) 25.927 5.314 ( -26.083 12.556 0.160) 28.948 6.074 ( 2.377 6.164 16.350) 17.635 6.449 ( 5.949 14.088 31.424) 34.948 6.893 ( 0.603 18.261 32.701) 37.459 7.658 ( -9.683 3.688 -6.338) 12.147 7.909 ( 9.531 11.099 0.656) 14.644 8.592 ( 12.030 0.328 -16.133) 20.127 9.073 ( 1.218 4.269 7.432) 8.657 9.544 ( 7.022 -1.844 -22.194) 23.351 10.252 ( 1.341 4.462 10.024) 11.054 10.476 ( 16.966 5.057 -11.133) 20.914 10.859 ( -1.848 10.603 6.831) 12.748 11.587 ( -12.965 -12.644 -7.196) 19.487 11.985 ( 4.879 -7.889 -5.276) 10.671 12.709 ( -6.630 1.865 -3.446) 7.702 12.921 ( -2.005 4.509 -2.836) 5.692 15.233 ( 4.410 -14.809 8.131) 17.460 16.871 ( -30.110 -6.063 17.081) 35.144 18.782 ( 35.345 3.349 -13.348) 37.930 20.575 ( 1.095 5.052 -29.682) 30.129 23.049 ( -4.310 -4.065 8.511) 10.370 23.138 ( 1.291 -2.241 8.641) 9.020 23.467 ( -3.754 -4.576 0.583) 5.947 24.030 ( -8.792 3.930 0.543) 9.645 32.116 ( 0.007 1.958 1.491) 2.461 32.193 ( 0.105 3.117 1.056) 3.293 32.301 ( 0.901 -1.860 -1.798) 2.739 32.404 ( -0.369 0.551 -0.984) 1.186 34.829 ( 4.692 6.869 11.850) 14.479 35.377 ( -2.985 2.527 7.943) 8.854 35.632 ( 3.531 -5.967 -5.581) 8.900 35.981 ( -3.003 -3.772 -9.814) 10.934 ======================= Grid point 107 (39/144) ======================= q-point: ( 0.33 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -26.984 -15.191 3.893) 31.210 2.728 ( 18.036 -14.663 5.083) 23.794 3.102 ( -7.392 -13.928 9.754) 18.541 3.924 ( -7.771 -24.275 16.734) 30.491 4.862 ( -3.703 -2.648 3.549) 5.772 5.843 ( -25.270 1.389 17.829) 30.957 6.732 ( 6.640 32.044 43.649) 54.554 7.110 ( 16.202 10.328 30.841) 36.337 7.289 ( -4.130 16.346 12.182) 20.800 8.086 ( -3.028 12.631 7.000) 14.755 8.782 ( 7.163 -1.053 -32.482) 33.279 9.056 ( -2.935 5.345 -17.000) 18.061 9.873 ( 22.779 -8.569 -8.605) 25.814 10.305 ( 4.520 -0.161 5.843) 7.389 10.641 ( -1.549 10.049 8.369) 13.169 10.959 ( 4.691 -1.818 -5.017) 7.105 11.354 ( -2.851 -1.358 -6.843) 7.536 11.977 ( -7.564 0.907 -4.742) 8.974 12.605 ( -1.334 -5.346 -3.410) 6.479 12.836 ( -6.363 -0.915 -4.831) 8.041 15.400 ( 12.694 -12.925 6.953) 19.404 16.273 ( -28.307 -7.973 9.348) 30.858 19.513 ( 35.556 4.479 -10.197) 37.260 20.519 ( -8.717 6.446 -23.922) 26.264 22.980 ( -1.081 -2.042 6.267) 6.679 23.141 ( -2.030 -1.073 6.345) 6.747 23.406 ( -1.178 -6.171 3.711) 7.296 23.818 ( -10.774 1.717 2.559) 11.206 32.116 ( 0.005 1.708 1.537) 2.298 32.196 ( 0.126 3.345 0.933) 3.475 32.326 ( 1.529 -1.295 -1.771) 2.674 32.389 ( -1.142 -0.000 -1.213) 1.666 34.960 ( 8.150 7.392 11.621) 16.003 35.287 ( -6.127 5.786 10.000) 13.077 35.716 ( 4.606 -7.120 -7.400) 11.255 35.904 ( -4.399 -6.272 -10.265) 12.809 ======================= Grid point 108 (40/144) ======================= q-point: (-0.50 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 0.000 -26.572 -15.447) 30.736 2.623 ( 0.000 -9.846 -1.655) 9.984 3.289 ( 0.000 -6.275 8.556) 10.610 3.775 ( 0.000 -31.452 21.447) 38.069 5.149 ( 0.000 8.859 9.956) 13.327 5.284 ( 0.000 -16.355 11.093) 19.762 6.777 ( 0.000 31.066 44.526) 54.292 7.066 ( 0.000 26.046 31.777) 41.088 7.643 ( 0.000 6.106 12.892) 14.265 7.903 ( -0.000 16.097 22.896) 27.988 8.867 ( 0.000 -1.249 -34.549) 34.572 9.005 ( 0.000 4.253 -32.368) 32.646 10.148 ( 0.000 -2.254 5.253) 5.716 10.420 ( 0.000 -8.893 -0.114) 8.894 10.718 ( -0.000 9.370 7.179) 11.804 10.723 ( 0.000 -6.293 -6.158) 8.804 11.552 ( 0.000 1.893 -9.268) 9.459 11.761 ( -0.000 8.855 -1.315) 8.952 12.648 ( 0.000 -8.524 -5.358) 10.068 12.720 ( 0.000 -4.001 -4.337) 5.901 15.684 ( 0.000 -12.803 8.069) 15.134 15.830 ( 0.000 -8.056 5.404) 9.701 20.054 ( 0.000 3.465 -15.368) 15.753 20.258 ( -0.000 8.605 -14.727) 17.056 23.006 ( 0.000 -1.059 0.987) 1.447 23.077 ( 0.000 -0.040 5.450) 5.450 23.413 ( 0.000 -7.114 8.207) 10.862 23.686 ( 0.000 0.359 3.203) 3.223 32.116 ( 0.000 1.589 1.547) 2.218 32.197 ( 0.000 3.451 0.886) 3.563 32.359 ( -1.603 -0.631 -1.619) 2.364 32.359 ( 1.603 -0.639 -1.441) 2.248 35.124 ( 0.000 7.179 11.623) 13.661 35.145 ( -0.000 7.769 10.838) 13.335 35.798 ( 0.000 -7.774 -9.406) 12.203 35.824 ( -0.000 -7.324 -9.291) 11.831 ======================= Grid point 112 (41/144) ======================= q-point: ( 0.00 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 0.000 -12.911 4.641) 13.720 2.911 ( 0.000 -35.178 18.171) 39.593 3.558 ( 0.000 -30.674 15.738) 34.476 4.157 ( 0.000 -9.618 9.028) 13.191 5.791 ( 0.000 3.974 7.925) 8.866 6.402 ( 0.000 5.114 -3.633) 6.273 6.449 ( 0.000 -0.248 -15.695) 15.697 6.855 ( 0.000 2.710 -17.958) 18.161 7.633 ( 0.000 5.275 -0.124) 5.276 8.076 ( 0.000 -5.123 4.413) 6.762 8.499 ( 0.000 17.789 8.046) 19.524 9.222 ( 0.000 -8.937 8.070) 12.042 9.345 ( 0.000 12.896 -1.996) 13.050 10.302 ( 0.000 14.700 4.197) 15.288 10.345 ( 0.000 -3.162 3.084) 4.417 11.120 ( 0.000 7.346 5.253) 9.031 11.429 ( 0.000 -14.111 -4.620) 14.848 11.769 ( 0.000 -4.549 -3.537) 5.762 12.738 ( 0.000 6.184 -5.261) 8.119 13.014 ( 0.000 5.076 1.641) 5.335 15.148 ( 0.000 -17.802 4.484) 18.358 17.484 ( 0.000 -17.485 2.734) 17.697 18.049 ( 0.000 15.992 -13.874) 21.172 20.284 ( 0.000 18.521 -8.913) 20.554 23.119 ( 0.000 -7.061 -0.384) 7.071 23.213 ( 0.000 -7.149 7.676) 10.489 23.524 ( 0.000 -1.265 4.461) 4.637 24.182 ( 0.000 0.474 3.531) 3.562 32.160 ( 0.000 0.930 1.401) 1.682 32.245 ( 0.000 0.990 2.355) 2.555 32.253 ( 0.000 -0.932 -0.554) 1.085 32.407 ( 0.000 0.710 0.100) 0.717 34.973 ( 0.000 0.869 2.493) 2.640 35.460 ( 0.000 -2.035 -3.158) 3.757 35.490 ( 0.000 -2.542 1.621) 3.015 35.870 ( 0.000 3.214 -5.134) 6.057 ======================= Grid point 113 (42/144) ======================= q-point: ( 0.17 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 31.867 -6.028 1.660) 32.475 2.578 ( -24.586 -29.103 13.915) 40.560 3.456 ( -11.374 -26.065 17.070) 33.168 4.073 ( -4.436 -18.927 14.418) 24.203 5.305 ( -40.797 4.513 -3.780) 41.219 6.265 ( 8.541 -3.731 0.661) 9.344 6.757 ( 10.295 -3.487 -16.390) 19.666 7.245 ( 21.531 5.703 -9.421) 24.184 7.749 ( 7.886 15.722 11.063) 20.779 7.909 ( -7.371 -8.748 -10.979) 15.856 8.516 ( 0.380 20.048 12.739) 23.756 9.256 ( 6.777 -1.411 -5.029) 8.557 9.360 ( -1.393 6.025 10.176) 11.908 10.315 ( 2.309 -1.837 0.924) 3.092 10.526 ( 15.114 7.437 4.236) 17.369 11.088 ( -2.722 7.295 5.867) 9.749 11.334 ( -8.117 -9.747 -4.489) 13.456 11.835 ( 5.239 -5.129 -3.454) 8.105 12.674 ( -6.332 4.485 -3.874) 8.673 12.947 ( -6.421 3.997 0.573) 7.585 15.183 ( 4.120 -16.358 3.624) 17.254 16.920 ( -35.704 -8.390 -1.994) 36.731 18.652 ( 39.373 7.387 -9.380) 41.143 20.323 ( 2.770 18.318 -9.027) 20.609 23.073 ( -3.668 -6.105 -0.124) 7.123 23.241 ( 1.843 -7.112 7.794) 10.711 23.474 ( -4.239 -2.200 4.413) 6.503 24.094 ( -8.293 -0.515 4.197) 9.309 32.158 ( -0.111 0.728 1.391) 1.573 32.243 ( 0.002 1.151 1.833) 2.164 32.267 ( 1.254 -0.731 -0.040) 1.453 32.402 ( -0.554 0.571 0.199) 0.821 35.026 ( 5.198 1.345 2.537) 5.938 35.474 ( 1.167 -1.358 -2.086) 2.749 35.503 ( 1.170 -2.507 0.550) 2.820 35.813 ( -5.507 2.200 -5.299) 7.953 ======================= Grid point 114 (43/144) ======================= q-point: ( 0.33 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -41.075 -7.970 1.196) 41.858 2.699 ( 13.703 -19.207 12.262) 26.591 3.153 ( -5.985 -10.593 10.327) 15.959 3.970 ( -8.335 -28.037 18.330) 34.518 4.848 ( 1.523 -7.511 1.629) 7.835 5.977 ( -30.964 -4.932 -1.131) 31.374 7.147 ( 14.489 0.352 -26.496) 30.201 7.527 ( 4.304 1.896 0.313) 4.713 7.671 ( 9.200 -1.001 -0.572) 9.272 8.139 ( 13.421 13.534 5.806) 19.924 8.498 ( -1.104 19.944 9.909) 22.297 9.096 ( -17.527 9.447 5.721) 20.716 9.686 ( 26.919 -3.518 -2.786) 27.290 10.356 ( 0.579 -3.295 1.570) 3.696 10.740 ( -1.687 -3.840 -0.510) 4.225 11.064 ( -0.353 9.231 8.603) 12.623 11.222 ( 4.292 -0.874 -4.584) 6.340 11.913 ( 0.522 -0.731 -1.155) 1.463 12.527 ( -5.718 -0.654 -1.639) 5.984 12.778 ( -9.837 1.064 -1.511) 10.009 15.342 ( 12.358 -13.213 1.402) 18.146 16.250 ( -30.500 -7.956 -2.059) 31.588 19.409 ( 34.753 8.545 -9.467) 37.019 20.321 ( -4.997 16.822 -9.521) 19.965 23.012 ( -1.390 -3.931 0.745) 4.236 23.226 ( -4.512 -3.421 5.884) 8.166 23.432 ( 1.776 -7.353 6.323) 9.859 23.892 ( -10.530 -2.778 5.616) 12.253 32.156 ( -0.112 0.409 1.377) 1.441 32.244 ( 0.074 1.537 1.589) 2.212 32.301 ( 2.036 -0.446 0.219) 2.096 32.382 ( -1.487 0.261 0.378) 1.556 35.173 ( 9.275 2.817 2.706) 10.064 35.486 ( -1.038 2.729 2.690) 3.970 35.530 ( 1.432 -3.550 -3.129) 4.944 35.671 ( -7.630 -1.983 -6.822) 10.425 ======================= Grid point 115 (44/144) ======================= q-point: (-0.50 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 0.000 -11.408 3.122) 11.827 2.590 ( 0.000 -6.620 7.921) 10.323 3.349 ( 0.000 -10.940 8.269) 13.714 3.824 ( 0.000 -36.577 22.803) 43.103 5.268 ( 0.000 -16.078 5.525) 17.001 5.275 ( -0.000 1.826 -1.571) 2.409 7.255 ( 0.000 1.474 -27.838) 27.877 7.501 ( 0.000 2.567 -18.348) 18.526 7.937 ( 0.000 1.033 21.749) 21.774 8.279 ( 0.000 11.683 2.379) 11.923 8.559 ( 0.000 10.528 10.634) 14.964 8.778 ( 0.000 18.419 4.506) 18.963 10.142 ( 0.000 -1.793 -3.480) 3.915 10.265 ( -0.000 -7.425 -1.429) 7.562 10.618 ( 0.000 -3.688 -0.249) 3.696 11.033 ( 0.000 8.168 6.771) 10.609 11.393 ( 0.000 0.652 -4.272) 4.322 11.860 ( 0.000 5.313 4.215) 6.782 12.511 ( 0.000 -4.858 -1.671) 5.138 12.629 ( 0.000 -0.701 -2.724) 2.813 15.618 ( 0.000 -12.094 -1.135) 12.147 15.791 ( 0.000 -7.782 -0.438) 7.794 19.896 ( 0.000 11.173 -9.777) 14.846 20.147 ( 0.000 14.218 -9.963) 17.361 23.019 ( 0.000 -1.675 2.282) 2.831 23.143 ( 0.000 -2.465 3.238) 4.069 23.480 ( 0.000 -10.213 8.249) 13.128 23.758 ( 0.000 -3.606 6.116) 7.100 32.155 ( 0.000 0.283 1.374) 1.403 32.245 ( 0.000 1.653 1.447) 2.197 32.343 ( 0.000 -0.016 0.586) 0.586 32.346 ( 0.000 -0.139 0.258) 0.293 35.365 ( -0.000 5.190 3.591) 6.311 35.381 ( 0.000 5.749 4.210) 7.126 35.551 ( 0.000 -5.474 -6.116) 8.208 35.586 ( 0.000 -5.294 -6.376) 8.287 ======================= Grid point 119 (45/144) ======================= q-point: ( 0.00 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 0.000 -7.228 8.325) 11.025 2.826 ( 0.000 -36.734 13.002) 38.967 3.312 ( 0.000 -29.763 -7.535) 30.703 4.150 ( 0.000 -26.012 10.806) 28.167 5.619 ( 0.000 -12.017 -22.740) 25.720 5.917 ( 0.000 -8.556 -48.663) 49.409 6.195 ( 0.000 -0.105 -16.170) 16.170 6.815 ( 0.000 19.921 5.974) 20.798 7.311 ( 0.000 -4.700 -14.271) 15.025 8.305 ( 0.000 -1.088 11.426) 11.477 8.712 ( 0.000 -14.513 0.347) 14.517 9.158 ( 0.000 -7.935 2.038) 8.193 9.647 ( 0.000 15.240 14.785) 21.234 10.327 ( 0.000 -5.857 0.228) 5.861 10.643 ( 0.000 13.192 17.881) 22.221 11.131 ( 0.000 -8.965 -3.649) 9.679 11.410 ( 0.000 6.480 5.947) 8.796 11.720 ( 0.000 5.036 -0.738) 5.090 12.723 ( 0.000 8.136 -4.527) 9.311 13.093 ( 0.000 2.667 2.533) 3.678 15.005 ( 0.000 -13.658 -1.275) 13.718 17.064 ( 0.000 -23.502 -22.144) 32.291 18.161 ( 0.000 27.649 0.750) 27.659 20.576 ( 0.000 25.896 12.465) 28.740 23.002 ( 0.000 -5.912 -3.780) 7.017 23.236 ( 0.000 -10.844 5.063) 11.967 23.600 ( 0.000 -4.947 6.184) 7.920 24.244 ( 0.000 -1.062 3.120) 3.296 32.178 ( 0.000 -1.326 0.955) 1.634 32.259 ( 0.000 0.982 0.968) 1.379 32.294 ( 0.000 -1.279 3.246) 3.489 32.423 ( 0.000 0.762 0.669) 1.014 34.840 ( 0.000 -9.644 -9.961) 13.864 35.401 ( 0.000 -6.284 -4.838) 7.931 35.489 ( 0.000 5.163 2.645) 5.801 35.912 ( 0.000 9.616 1.124) 9.681 ======================= Grid point 120 (46/144) ======================= q-point: ( 0.17 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 25.500 0.159 -0.910) 25.517 2.435 ( -19.090 -34.263 7.469) 39.927 3.400 ( 1.110 -30.607 9.247) 31.993 4.109 ( -2.555 -26.858 14.506) 30.632 5.313 ( -38.803 8.282 -7.646) 40.407 5.869 ( -5.212 -8.365 -43.548) 44.650 6.133 ( 13.341 -7.246 -27.393) 31.319 6.822 ( 8.161 -15.308 -26.232) 31.449 7.822 ( -10.267 -0.893 5.394) 11.632 8.001 ( 20.640 9.636 3.089) 22.987 8.896 ( 4.878 -15.415 -2.834) 16.415 9.190 ( 6.622 2.206 12.522) 14.336 9.669 ( 2.009 13.233 14.510) 19.741 10.320 ( -0.498 -4.994 0.249) 5.025 10.723 ( 5.261 7.865 10.976) 14.492 11.125 ( -0.373 -8.534 0.058) 8.542 11.344 ( -4.257 8.774 5.176) 11.041 11.801 ( 7.066 4.880 0.649) 8.612 12.668 ( -5.408 6.616 -2.868) 9.013 13.012 ( -7.915 3.213 2.100) 8.797 15.042 ( 4.124 -12.252 -2.008) 13.083 16.656 ( -30.281 -12.382 -15.404) 36.160 18.625 ( 35.836 17.436 -4.804) 40.141 20.591 ( 0.107 25.317 10.702) 27.486 22.967 ( -2.523 -5.797 -3.562) 7.257 23.267 ( 2.456 -10.894 5.274) 12.350 23.539 ( -5.406 -5.342 5.870) 9.603 24.155 ( -8.436 -2.174 3.572) 9.415 32.176 ( -0.183 -1.296 1.027) 1.663 32.272 ( 1.090 0.865 1.112) 1.781 32.296 ( 0.340 -1.048 3.021) 3.216 32.420 ( -0.317 0.690 0.949) 1.215 34.891 ( 4.906 -9.562 -10.185) 14.807 35.384 ( -1.714 -6.753 -6.675) 9.649 35.519 ( 2.724 5.625 3.381) 7.106 35.873 ( -3.738 9.823 2.512) 10.806 ======================= Grid point 121 (47/144) ======================= q-point: ( 0.33 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -25.623 -0.620 2.178) 25.723 2.756 ( 23.845 -21.852 15.852) 36.019 3.267 ( -8.957 -13.137 14.939) 21.818 4.015 ( -9.794 -27.414 18.062) 34.259 4.762 ( -3.295 -4.568 -5.179) 7.652 5.642 ( -19.164 -8.246 -31.238) 37.564 6.356 ( 5.675 -8.642 -46.919) 48.045 6.945 ( -7.345 -13.649 -30.872) 34.545 7.599 ( 13.851 -11.883 -3.359) 18.556 8.413 ( -0.494 -7.389 0.855) 7.455 8.963 ( 9.083 10.163 8.940) 16.301 9.361 ( 4.476 8.185 18.959) 21.130 9.788 ( 13.236 10.754 9.433) 19.489 10.312 ( -0.488 -4.696 -0.202) 4.726 10.732 ( -4.799 -0.557 -0.891) 4.913 11.018 ( -9.893 -5.158 -0.594) 11.173 11.433 ( 12.451 10.222 11.132) 19.582 11.958 ( 7.299 4.269 4.036) 9.370 12.531 ( -6.595 3.329 0.576) 7.410 12.798 ( -12.494 4.040 0.452) 13.139 15.192 ( 11.191 -9.283 -4.518) 15.226 16.062 ( -27.417 -6.765 -9.817) 29.897 19.373 ( 36.867 14.466 -6.036) 40.061 20.496 ( -11.596 22.196 4.542) 25.451 22.958 ( 2.929 -4.266 -1.210) 5.314 23.273 ( -4.486 -6.992 4.909) 9.650 23.455 ( -0.214 -9.764 5.503) 11.210 23.949 ( -10.649 -4.801 4.748) 12.610 32.172 ( -0.166 -1.288 1.107) 1.706 32.282 ( -0.002 -0.036 1.742) 1.742 32.323 ( 2.214 0.076 2.181) 3.109 32.406 ( -1.204 0.546 1.597) 2.073 35.024 ( 8.016 -9.391 -11.077) 16.587 35.324 ( -4.557 -8.252 -10.269) 13.940 35.587 ( 3.950 7.227 4.977) 9.623 35.778 ( -5.290 10.077 5.442) 12.615 ======================= Grid point 122 (48/144) ======================= q-point: (-0.50 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 0.000 8.444 25.215) 26.591 2.760 ( 0.000 -3.289 15.158) 15.510 3.375 ( 0.000 -14.041 9.013) 16.685 3.849 ( -0.000 -37.920 22.063) 43.871 5.114 ( 0.000 -3.355 -17.146) 17.471 5.118 ( -0.000 -13.850 -7.577) 15.787 6.403 ( 0.000 -11.308 -48.474) 49.775 6.801 ( 0.000 -5.897 -42.263) 42.672 8.006 ( 0.000 -18.192 -1.929) 18.294 8.175 ( -0.000 -17.094 -11.760) 20.748 9.116 ( 0.000 18.584 22.213) 28.962 9.358 ( 0.000 17.043 24.680) 29.993 10.043 ( 0.000 0.994 -5.366) 5.457 10.294 ( 0.000 2.841 5.885) 6.535 10.617 ( -0.000 2.711 1.881) 3.300 10.899 ( 0.000 -12.441 -8.126) 14.860 11.612 ( 0.000 13.116 11.236) 17.270 12.026 ( 0.000 1.041 10.482) 10.534 12.493 ( -0.000 2.677 0.763) 2.784 12.609 ( 0.000 4.047 -1.728) 4.400 15.412 ( -0.000 -8.419 -9.307) 12.550 15.677 ( 0.000 -4.704 -4.347) 6.405 19.938 ( 0.000 16.956 -1.798) 17.051 20.192 ( 0.000 17.271 -3.469) 17.616 23.057 ( 0.000 -0.711 3.348) 3.422 23.146 ( -0.000 -5.369 1.616) 5.607 23.486 ( 0.000 -13.626 5.788) 14.804 23.817 ( 0.000 -6.062 5.533) 8.208 32.170 ( 0.000 -1.294 1.129) 1.718 32.281 ( 0.000 -0.100 1.691) 1.694 32.363 ( 0.000 0.118 1.549) 1.553 32.378 ( -0.000 0.593 2.508) 2.577 35.167 ( 0.000 -9.112 -12.526) 15.490 35.219 ( -0.000 -9.242 -11.234) 14.547 35.664 ( 0.000 8.757 6.418) 10.857 35.686 ( -0.000 9.507 6.395) 11.458 ======================= Grid point 126 (49/144) ======================= q-point: ( 0.00 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 0.000 -2.983 11.059) 11.455 2.618 ( 0.000 -36.220 4.934) 36.554 2.743 ( 0.000 -27.337 -21.186) 34.586 3.994 ( 0.000 -38.139 5.794) 38.576 4.783 ( 0.000 -12.757 -59.183) 60.542 4.845 ( 0.000 -11.488 -46.123) 47.532 5.712 ( 0.000 -27.980 -19.392) 34.044 7.232 ( 0.000 21.374 12.467) 24.744 7.245 ( 0.000 12.061 -0.579) 12.075 8.128 ( 0.000 -38.211 -24.087) 45.169 8.424 ( 0.000 -5.977 7.029) 9.227 9.271 ( 0.000 -3.441 11.413) 11.921 9.957 ( 0.000 -5.847 3.731) 6.936 10.284 ( 0.000 1.321 4.290) 4.489 10.925 ( 0.000 -9.701 -4.121) 10.540 11.160 ( 0.000 7.672 24.250) 25.435 11.676 ( 0.000 20.455 6.206) 21.376 11.812 ( 0.000 7.522 2.425) 7.904 12.742 ( 0.000 9.758 -3.506) 10.369 13.155 ( 0.000 0.798 2.272) 2.408 14.866 ( 0.000 -5.022 -2.663) 5.684 16.324 ( 0.000 -25.130 -29.683) 38.892 18.602 ( 0.000 34.493 11.691) 36.420 21.151 ( 0.000 26.439 19.233) 32.695 22.887 ( 0.000 -5.042 -2.430) 5.597 23.175 ( 0.000 -12.473 1.609) 12.577 23.626 ( 0.000 -10.446 5.201) 11.670 24.246 ( 0.000 -1.023 -2.539) 2.738 32.176 ( 0.000 -2.971 1.393) 3.282 32.294 ( 0.000 1.849 1.031) 2.117 32.334 ( 0.000 -3.269 3.695) 4.934 32.440 ( 0.000 0.742 0.141) 0.755 34.502 ( 0.000 -13.164 -13.055) 18.540 35.237 ( 0.000 -5.910 -5.474) 8.056 35.593 ( 0.000 5.472 2.126) 5.871 36.064 ( 0.000 11.663 2.949) 12.030 ======================= Grid point 127 (50/144) ======================= q-point: ( 0.17 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 6.256 6.371 -7.030) 11.364 2.209 ( 4.664 -35.368 9.068) 36.809 3.165 ( 16.005 -32.137 -0.341) 35.904 3.997 ( 0.827 -35.703 5.983) 36.210 4.753 ( -3.710 -10.693 -58.315) 59.403 4.838 ( -4.420 -8.351 -46.143) 47.100 5.815 ( -0.999 -10.734 -11.404) 15.693 6.297 ( -26.930 -6.939 -7.896) 28.909 7.796 ( -24.024 -18.053 -4.020) 30.319 8.105 ( 3.608 -10.127 -3.111) 11.191 8.425 ( 29.443 -1.348 -9.044) 30.830 9.541 ( 18.069 -0.193 13.969) 22.840 9.946 ( -0.865 -4.157 4.040) 5.861 10.301 ( 2.362 1.466 6.018) 6.629 10.794 ( -10.903 -6.446 -3.447) 13.126 11.300 ( 9.257 3.268 21.444) 23.584 11.577 ( -5.205 14.699 6.298) 16.817 11.924 ( 8.315 12.096 2.230) 14.847 12.707 ( -3.557 8.060 -1.328) 8.909 13.078 ( -7.667 2.743 1.656) 8.310 14.898 ( 3.531 -4.323 -3.735) 6.717 16.136 ( -16.424 -17.736 -23.404) 33.646 18.886 ( 25.898 28.127 7.387) 38.941 21.124 ( -4.715 25.942 17.096) 31.424 22.851 ( -1.817 -5.597 -2.474) 6.384 23.211 ( 2.955 -12.390 1.921) 12.881 23.555 ( -6.258 -10.454 4.674) 13.049 24.157 ( -8.358 -1.832 -1.729) 8.730 32.177 ( 0.030 -2.844 1.503) 3.217 32.302 ( 0.516 -0.015 1.452) 1.542 32.339 ( 0.775 -1.383 3.164) 3.539 32.442 ( 0.157 0.685 0.459) 0.839 34.555 ( 5.083 -12.846 -12.857) 18.872 35.183 ( -5.051 -6.725 -7.049) 10.973 35.645 ( 4.638 6.331 2.993) 8.400 36.045 ( -1.986 11.647 3.716) 12.386 ======================= Grid point 128 (51/144) ======================= q-point: ( 0.33 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 7.448 7.543 8.697) 13.712 2.795 ( 30.225 -24.173 14.398) 41.294 3.332 ( 1.683 -25.340 10.380) 27.435 4.018 ( -3.617 -27.575 9.327) 29.333 4.459 ( -17.981 2.751 -32.947) 37.635 4.714 ( -5.966 -10.223 -53.277) 54.576 5.544 ( -5.315 -7.959 -25.222) 26.977 6.308 ( -2.525 -25.198 -20.210) 32.400 7.344 ( -6.409 -16.744 -6.919) 19.217 7.940 ( -14.126 -34.895 -21.343) 43.276 9.164 ( 33.296 13.087 2.900) 35.892 9.786 ( 4.066 2.819 12.984) 13.895 9.947 ( 1.758 -1.124 -0.101) 2.089 10.390 ( 1.452 1.967 8.011) 8.375 10.583 ( -2.642 -5.193 -2.002) 6.161 11.215 ( -15.157 9.655 13.692) 22.592 11.719 ( 14.450 3.683 12.668) 19.566 12.110 ( 9.888 10.507 3.580) 14.866 12.612 ( -4.954 5.092 3.091) 7.748 12.861 ( -13.374 7.295 -0.176) 15.235 15.016 ( 8.044 -3.183 -7.369) 11.364 15.775 ( -17.547 -7.503 -13.267) 23.243 19.524 ( 35.819 20.629 3.148) 41.454 20.865 ( -22.331 21.852 9.661) 32.703 22.900 ( 7.680 -4.208 -0.081) 8.758 23.254 ( -0.782 -9.898 2.575) 10.258 23.428 ( -4.410 -11.240 3.575) 12.592 23.954 ( -10.508 -4.091 0.459) 11.286 32.176 ( -0.042 -2.644 1.688) 3.137 32.304 ( -0.170 -2.189 1.879) 2.890 32.369 ( 1.899 0.654 2.190) 2.972 32.440 ( -0.459 0.607 1.254) 1.467 34.692 ( 8.254 -11.869 -12.418) 19.058 35.052 ( -7.786 -8.597 -9.721) 15.134 35.757 ( 6.113 8.196 4.339) 11.107 35.984 ( -4.123 11.257 4.951) 12.971 ======================= Grid point 129 (52/144) ======================= q-point: (-0.50 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 0.000 10.229 29.293) 31.028 2.999 ( 0.000 -6.128 14.280) 15.539 3.383 ( 0.000 -14.103 6.255) 15.428 3.822 ( -0.000 -37.038 16.155) 40.408 4.503 ( 0.000 -7.185 -44.524) 45.100 4.555 ( -0.000 -6.856 -44.032) 44.563 5.577 ( 0.000 -21.501 -19.592) 29.088 6.100 ( 0.000 -8.592 -24.694) 26.146 7.580 ( 0.000 -31.648 -23.353) 39.331 7.587 ( -0.000 -30.386 -14.959) 33.869 9.593 ( -0.000 12.987 12.361) 17.930 9.752 ( 0.000 4.365 7.352) 8.550 9.978 ( 0.000 -0.082 -3.500) 3.501 10.281 ( 0.000 -8.271 -8.721) 12.019 10.826 ( 0.000 12.253 12.372) 17.413 10.872 ( -0.000 1.953 14.832) 14.960 11.897 ( -0.000 5.788 8.681) 10.433 12.250 ( 0.000 -1.378 13.869) 13.938 12.585 ( -0.000 12.310 0.667) 12.328 12.637 ( 0.000 7.877 -2.091) 8.150 15.142 ( -0.000 -3.825 -12.677) 13.241 15.551 ( 0.000 -2.321 -5.680) 6.136 20.165 ( -0.000 19.743 5.591) 20.520 20.355 ( 0.000 17.099 1.637) 17.177 23.098 ( 0.000 -8.068 0.969) 8.126 23.127 ( -0.000 1.160 3.909) 4.078 23.413 ( 0.000 -14.882 2.585) 15.105 23.824 ( 0.000 -5.959 1.987) 6.282 32.176 ( 0.000 -2.573 1.772) 3.124 32.302 ( 0.000 -2.297 1.812) 2.926 32.396 ( 0.000 0.589 1.414) 1.532 32.429 ( -0.000 0.621 2.150) 2.238 34.842 ( 0.000 -10.108 -11.834) 15.563 34.908 ( -0.000 -10.749 -11.282) 15.582 35.862 ( 0.000 9.628 4.926) 10.815 35.899 ( 0.000 10.458 5.441) 11.789 ======================= Grid point 133 (53/144) ======================= q-point: ( 0.00 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 0.000 -2.350 11.081) 11.327 2.030 ( 0.000 -27.024 -26.081) 37.557 2.221 ( 0.000 -32.900 -11.325) 34.795 3.218 ( 0.000 -15.374 -62.396) 64.263 3.855 ( 0.000 -17.425 -42.796) 46.208 3.912 ( 0.000 -49.566 -0.314) 49.567 4.988 ( 0.000 -40.082 -20.855) 45.183 7.124 ( 0.000 -42.244 -22.231) 47.737 7.418 ( 0.000 17.813 1.131) 17.849 7.781 ( 0.000 24.846 5.462) 25.440 8.467 ( 0.000 -8.473 6.284) 10.549 9.433 ( 0.000 -7.212 12.141) 14.121 9.674 ( 0.000 -23.391 -9.577) 25.276 10.485 ( 0.000 6.402 6.966) 9.461 10.848 ( 0.000 -0.980 0.957) 1.370 11.582 ( 0.000 4.997 14.489) 15.326 11.932 ( 0.000 4.395 3.541) 5.644 12.036 ( 0.000 21.597 9.119) 23.443 12.792 ( 0.000 10.798 -2.945) 11.193 13.191 ( 0.000 0.366 1.161) 1.217 14.819 ( 0.000 1.725 -0.715) 1.867 15.534 ( 0.000 -26.691 -27.073) 38.018 19.255 ( 0.000 38.047 18.385) 42.256 21.758 ( 0.000 23.980 18.011) 29.991 22.812 ( 0.000 -4.519 -0.591) 4.557 23.051 ( 0.000 -11.515 -1.242) 11.582 23.570 ( 0.000 -14.257 2.264) 14.436 24.115 ( 0.000 -3.030 -9.429) 9.904 32.167 ( 0.000 -4.254 1.588) 4.541 32.329 ( 0.000 2.022 0.591) 2.106 32.362 ( 0.000 -4.583 4.038) 6.108 32.438 ( 0.000 0.533 -1.108) 1.229 34.134 ( 0.000 -13.854 -11.610) 18.075 35.101 ( 0.000 -3.623 -3.954) 5.363 35.671 ( 0.000 4.187 1.039) 4.314 36.240 ( 0.000 11.341 2.912) 11.709 ======================= Grid point 134 (54/144) ======================= q-point: ( 0.17 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -2.708 5.905 -13.974) 15.410 2.079 ( 30.062 -30.734 12.607) 44.802 2.664 ( 20.119 -25.703 -24.633) 40.893 3.249 ( 3.194 -14.921 -59.188) 61.123 3.835 ( -1.695 -27.131 -28.042) 39.056 3.949 ( 3.640 -39.491 -11.054) 41.170 5.179 ( 17.110 -37.626 -23.178) 47.389 6.433 ( -54.286 15.479 5.813) 56.748 7.130 ( -6.258 -36.761 -24.319) 44.519 7.976 ( -37.605 -11.102 4.083) 39.422 8.575 ( 42.520 17.921 2.351) 46.203 9.523 ( 5.723 -14.937 -6.015) 17.089 9.949 ( 18.805 -8.270 9.426) 22.602 10.482 ( 0.920 4.417 5.496) 7.111 10.724 ( -10.601 -0.595 0.914) 10.657 11.660 ( 4.822 4.140 12.719) 14.218 11.848 ( -4.077 6.304 8.664) 11.464 12.142 ( 7.831 18.867 5.780) 21.229 12.773 ( -2.111 8.123 -1.115) 8.467 13.128 ( -6.295 3.453 0.543) 7.201 14.825 ( 0.980 0.963 -2.853) 3.167 15.509 ( -2.553 -20.892 -22.357) 30.705 19.431 ( 17.203 34.242 16.329) 41.655 21.684 ( -10.719 22.875 15.715) 29.751 22.768 ( -0.760 -5.060 -0.614) 5.153 23.096 ( 3.628 -11.149 -0.638) 11.742 23.492 ( -6.447 -13.867 1.966) 15.418 24.040 ( -6.911 -3.254 -8.230) 11.229 32.171 ( 0.338 -4.169 1.720) 4.523 32.318 ( -0.820 -2.394 1.647) 3.020 32.382 ( 1.454 -0.304 2.430) 2.848 32.446 ( 0.678 0.477 -0.729) 1.104 34.196 ( 5.998 -13.456 -11.231) 18.525 35.010 ( -8.128 -4.939 -5.128) 10.805 35.749 ( 6.826 5.381 1.879) 8.893 36.233 ( -1.067 11.596 3.528) 12.168 ======================= Grid point 135 (55/144) ======================= q-point: ( 0.33 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 34.436 11.420 9.839) 37.591 2.744 ( 28.266 -27.300 3.375) 39.441 2.915 ( 6.246 -21.881 -34.697) 41.493 3.327 ( 3.089 -12.111 -52.316) 53.789 3.799 ( -1.526 -31.151 -14.292) 34.307 4.029 ( 0.540 -23.285 -6.112) 24.079 5.320 ( -23.141 -2.683 -7.266) 24.403 5.666 ( 0.339 -23.886 -14.638) 28.016 6.944 ( -12.585 -29.845 -18.200) 37.153 7.251 ( -28.788 -22.741 -10.161) 38.068 9.325 ( 32.433 10.198 0.554) 34.003 9.668 ( 8.841 -10.021 -7.326) 15.240 10.096 ( -3.726 1.952 6.463) 7.711 10.340 ( -18.259 -2.340 -2.875) 18.631 10.786 ( 19.236 2.392 13.004) 23.342 11.545 ( -13.686 6.182 11.858) 19.135 11.950 ( 9.729 1.158 9.772) 13.837 12.319 ( 9.726 16.094 5.119) 19.489 12.711 ( -3.269 3.462 2.021) 5.173 12.946 ( -11.420 10.380 -0.260) 15.434 14.866 ( 2.800 -0.565 -7.090) 7.644 15.441 ( -3.680 -10.120 -13.597) 17.345 19.908 ( 29.546 26.427 12.175) 41.468 21.252 ( -30.791 18.268 9.715) 37.097 22.874 ( 9.944 -3.966 1.638) 10.830 23.172 ( 3.305 -9.778 0.043) 10.322 23.364 ( -5.529 -10.884 2.094) 12.386 23.872 ( -8.880 -3.842 -5.179) 10.974 32.177 ( 0.290 -4.004 2.091) 4.526 32.302 ( -0.701 -4.480 1.552) 4.793 32.408 ( 1.055 1.040 0.933) 1.751 32.457 ( 0.290 0.446 -0.032) 0.534 34.359 ( 9.922 -12.168 -10.249) 18.750 34.812 ( -11.071 -7.591 -7.194) 15.229 35.906 ( 8.244 7.650 3.171) 11.686 36.183 ( -4.089 11.256 4.166) 12.680 ======================= Grid point 136 (56/144) ======================= q-point: (-0.50 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 0.000 -1.109 25.724) 25.748 2.954 ( 0.000 -16.102 -43.880) 46.741 3.101 ( 0.000 -11.827 2.894) 12.176 3.295 ( -0.000 -12.011 -56.047) 57.320 3.806 ( -0.000 -29.496 2.081) 29.569 3.874 ( -0.000 -8.818 -8.044) 11.936 5.139 ( -0.000 -22.824 -7.156) 23.920 5.667 ( 0.000 -15.094 -13.416) 20.195 6.810 ( -0.000 -30.415 -22.175) 37.640 6.942 ( 0.000 -31.001 -18.140) 35.918 9.803 ( -0.000 -2.930 -2.144) 3.631 9.841 ( 0.000 6.650 2.606) 7.142 9.943 ( 0.000 4.523 -0.383) 4.539 10.009 ( -0.000 -7.932 -6.818) 10.459 11.179 ( 0.000 6.421 12.969) 14.471 11.224 ( -0.000 3.353 15.964) 16.312 12.066 ( -0.000 2.092 7.322) 7.615 12.462 ( -0.000 2.405 7.508) 7.884 12.704 ( 0.000 7.820 1.318) 7.930 12.747 ( -0.000 16.883 -0.175) 16.884 14.903 ( 0.000 -2.008 -9.843) 10.046 15.396 ( -0.000 -4.477 -8.873) 9.939 20.529 ( -0.000 21.599 10.903) 24.195 20.607 ( 0.000 17.894 7.012) 19.219 23.024 ( 0.000 -9.625 1.128) 9.691 23.187 ( -0.000 -2.650 0.764) 2.758 23.311 ( -0.000 -9.069 2.465) 9.398 23.760 ( 0.000 -4.906 -3.229) 5.873 32.181 ( 0.000 -3.932 2.365) 4.588 32.294 ( 0.000 -4.861 1.238) 5.016 32.420 ( 0.000 1.047 0.214) 1.068 32.458 ( 0.000 0.348 0.347) 0.491 34.551 ( 0.000 -9.688 -8.658) 12.993 34.609 ( -0.000 -10.618 -9.199) 14.049 36.041 ( 0.000 9.612 4.048) 10.430 36.090 ( 0.000 9.963 3.968) 10.724 ======================= Grid point 140 (57/144) ======================= q-point: ( 0.00 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 0.000 -25.405 -29.349) 38.817 1.455 ( 0.000 -12.924 -29.959) 32.627 1.605 ( 0.000 -28.448 5.601) 28.995 1.874 ( 0.000 -15.146 -62.058) 63.880 3.055 ( 0.000 -27.718 -18.930) 33.565 3.345 ( 0.000 -67.145 0.833) 67.150 4.214 ( 0.000 -36.833 -17.651) 40.844 6.354 ( 0.000 -33.883 -15.019) 37.062 7.622 ( 0.000 18.550 0.411) 18.555 8.131 ( 0.000 22.772 3.663) 23.065 8.475 ( 0.000 -9.627 4.547) 10.647 9.276 ( 0.000 -21.501 -7.210) 22.678 9.546 ( 0.000 -8.244 8.451) 11.806 10.616 ( 0.000 2.406 3.000) 3.846 10.893 ( 0.000 3.538 1.278) 3.762 11.829 ( 0.000 10.333 5.520) 11.715 12.015 ( 0.000 0.760 2.390) 2.508 12.387 ( 0.000 11.846 8.923) 14.831 12.849 ( 0.000 10.894 -2.951) 11.287 13.225 ( 0.000 2.332 2.129) 3.157 14.844 ( 0.000 -26.728 -17.398) 31.891 14.859 ( 0.000 3.839 1.185) 4.017 20.004 ( 0.000 38.740 19.019) 43.157 22.251 ( 0.000 18.833 11.004) 21.812 22.764 ( 0.000 -4.162 -0.093) 4.163 22.917 ( 0.000 -8.238 -1.615) 8.395 23.381 ( 0.000 -12.338 -8.898) 15.212 23.894 ( 0.000 -10.316 -5.167) 11.538 32.143 ( 0.000 -4.951 1.012) 5.054 32.356 ( 0.000 1.844 0.210) 1.856 32.397 ( 0.000 -4.374 5.435) 6.976 32.416 ( 0.000 0.238 -1.453) 1.472 33.825 ( 0.000 -12.434 -6.947) 14.243 35.024 ( 0.000 -0.675 -2.222) 2.322 35.720 ( 0.000 2.970 0.417) 2.999 36.380 ( 0.000 8.844 0.321) 8.849 ======================= Grid point 141 (58/144) ======================= q-point: ( 0.17 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 20.438 -0.107 -13.304) 24.387 1.664 ( 14.481 -18.143 -40.960) 47.080 1.754 ( 5.186 -12.678 -53.164) 54.900 2.303 ( 32.706 -31.731 -1.675) 45.600 3.115 ( 7.101 -32.292 -15.571) 36.546 3.375 ( 4.208 -60.911 -1.168) 61.067 4.387 ( 16.462 -34.589 -19.160) 42.831 6.294 ( -7.769 -30.995 -12.302) 34.240 6.818 ( -49.926 21.040 0.756) 54.183 7.933 ( -43.645 -12.789 3.663) 45.628 8.763 ( 34.657 12.476 0.277) 36.835 9.248 ( 7.475 -12.654 -5.145) 15.571 10.026 ( 25.487 -7.268 6.489) 27.286 10.568 ( -5.058 1.453 1.849) 5.578 10.773 ( -7.532 2.602 1.593) 8.127 11.886 ( 0.852 6.469 6.062) 8.906 11.983 ( 0.744 3.900 3.021) 4.989 12.469 ( 6.656 13.090 8.981) 17.213 12.818 ( -3.239 7.025 -2.409) 8.102 13.185 ( -4.176 5.919 1.133) 7.332 14.753 ( -2.192 -9.827 -4.728) 11.124 14.993 ( 6.076 -10.798 -11.390) 16.830 20.123 ( 11.875 37.016 17.513) 42.637 22.114 ( -18.147 16.150 8.666) 25.792 22.728 ( 2.999 -3.106 0.835) 4.397 22.988 ( 4.888 -7.185 0.019) 8.691 23.324 ( -4.079 -12.253 -6.137) 14.298 23.824 ( -5.769 -9.789 -6.607) 13.144 32.150 ( 0.601 -4.979 1.115) 5.137 32.315 ( -2.568 -4.126 1.692) 5.146 32.408 ( 0.466 0.159 -0.076) 0.498 32.442 ( 1.412 0.199 0.778) 1.624 33.896 ( 7.000 -12.206 -6.717) 15.592 34.903 ( -10.722 -2.411 -2.547) 11.281 35.825 ( 8.987 4.366 0.965) 10.038 36.399 ( 0.495 10.827 1.889) 11.002 ======================= Grid point 142 (59/144) ======================= q-point: ( 0.33 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 8.669 -5.190 -53.602) 54.546 1.865 ( 7.054 -11.681 -52.398) 54.146 2.151 ( 41.064 -1.802 -4.990) 41.405 2.787 ( 13.398 -46.094 10.106) 49.054 3.285 ( 8.631 -47.088 -3.084) 47.971 3.650 ( 21.624 -24.890 -6.179) 33.545 4.768 ( 17.256 -28.185 -18.911) 38.076 5.662 ( -45.076 10.473 5.166) 46.564 6.293 ( -6.642 -23.421 -15.439) 28.827 7.009 ( -44.771 -14.967 -0.893) 47.214 9.305 ( 20.973 -6.091 -4.300) 22.259 9.571 ( 22.371 5.021 -0.360) 22.930 10.129 ( -13.848 -1.500 -0.984) 13.964 10.345 ( -14.779 1.826 1.970) 15.021 10.960 ( 22.870 -2.312 6.096) 23.781 11.735 ( -12.625 -0.360 5.493) 13.773 12.132 ( 9.666 8.007 6.209) 14.003 12.583 ( 1.881 12.547 5.504) 13.829 12.753 ( -0.220 3.678 -0.640) 3.739 13.058 ( -8.286 9.973 0.580) 12.979 14.750 ( 1.008 -5.938 -2.027) 6.355 15.081 ( 2.812 -10.673 -13.739) 17.623 20.467 ( 22.183 32.095 14.407) 41.590 21.590 ( -30.501 17.385 7.889) 35.983 22.862 ( 7.343 -5.518 1.965) 9.393 23.076 ( 2.519 -8.167 -0.177) 8.549 23.279 ( 0.992 -7.387 -1.127) 7.539 23.693 ( -6.971 -7.836 -7.341) 12.802 32.165 ( 0.884 -5.135 1.608) 5.453 32.268 ( -2.049 -6.263 0.769) 6.634 32.419 ( 0.570 0.586 -0.522) 0.970 32.454 ( -0.044 0.257 -0.553) 0.611 34.090 ( 11.988 -10.913 -5.896) 17.250 34.646 ( -14.165 -5.544 -3.563) 15.623 36.027 ( 10.428 6.716 1.895) 12.547 36.359 ( -4.584 10.820 2.677) 12.052 ======================= Grid point 143 (60/144) ======================= q-point: (-0.50 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 0.000 -5.865 -60.873) 61.155 1.929 ( 0.000 -13.404 -58.155) 59.680 2.693 ( 0.000 -31.645 13.328) 34.338 2.903 ( 0.000 -49.108 4.971) 49.358 3.586 ( 0.000 -14.512 0.781) 14.533 3.735 ( -0.000 -5.091 -5.354) 7.387 4.886 ( -0.000 -12.219 1.446) 12.304 5.237 ( 0.000 -17.759 -13.918) 22.563 6.289 ( 0.000 -17.644 -7.547) 19.190 6.395 ( -0.000 -21.320 -11.186) 24.077 9.701 ( -0.000 -4.684 -3.050) 5.589 9.735 ( 0.000 -6.366 -5.383) 8.337 10.015 ( -0.000 5.456 1.270) 5.602 10.023 ( 0.000 5.208 1.548) 5.433 11.387 ( 0.000 -0.939 7.067) 7.129 11.430 ( -0.000 -2.365 5.938) 6.391 12.263 ( -0.000 6.640 9.838) 11.869 12.543 ( 0.000 7.079 -3.199) 7.768 12.845 ( 0.000 6.417 4.935) 8.096 12.902 ( -0.000 13.174 -0.325) 13.178 14.764 ( -0.000 -4.665 -1.333) 4.852 15.109 ( -0.000 -10.174 -14.236) 17.497 20.983 ( -0.000 25.736 11.407) 28.151 20.987 ( 0.000 24.083 10.551) 26.293 22.951 ( 0.000 -9.763 2.178) 10.003 23.077 ( -0.000 -9.439 -3.152) 9.951 23.329 ( 0.000 -3.652 3.692) 5.193 23.597 ( -0.000 -6.332 -8.441) 10.552 32.178 ( -0.000 -5.267 2.435) 5.802 32.243 ( 0.000 -6.565 -0.375) 6.575 32.426 ( -0.000 0.768 -0.330) 0.836 32.450 ( 0.000 0.014 -1.165) 1.165 34.343 ( 0.000 -8.175 -4.084) 9.139 34.373 ( -0.000 -8.935 -5.456) 10.469 36.205 ( -0.000 9.111 3.197) 9.656 36.240 ( 0.000 8.829 1.761) 9.003 ======================= Grid point 147 (61/144) ======================= q-point: ( 0.00 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 0.000 -18.720 -0.000) 18.720 0.757 ( 0.000 -31.501 -0.000) 31.501 0.998 ( 0.000 -23.974 -0.000) 23.974 1.319 ( 0.000 -50.090 -0.000) 50.090 2.612 ( 0.000 -69.113 -0.000) 69.113 2.653 ( 0.000 -15.310 -0.000) 15.310 3.722 ( 0.000 -23.600 -0.000) 23.600 5.936 ( 0.000 -21.729 -0.000) 21.729 7.807 ( 0.000 16.937 0.000) 16.937 8.367 ( 0.000 17.063 0.000) 17.063 8.417 ( 0.000 -10.254 -0.000) 10.254 9.011 ( 0.000 -15.896 -0.000) 15.896 9.546 ( 0.000 -7.473 -0.000) 7.473 10.658 ( 0.000 0.732 0.000) 0.732 10.943 ( 0.000 3.762 0.000) 3.762 11.999 ( 0.000 10.434 0.000) 10.434 12.031 ( 0.000 -1.152 -0.000) 1.152 12.556 ( 0.000 5.532 0.000) 5.532 12.920 ( 0.000 8.244 0.000) 8.244 13.335 ( 0.000 7.921 0.000) 7.921 14.423 ( 0.000 -21.181 -0.000) 21.181 14.898 ( 0.000 1.283 0.000) 1.283 20.609 ( 0.000 35.270 0.000) 35.270 22.508 ( 0.000 12.009 0.000) 12.009 22.713 ( 0.000 -4.358 -0.000) 4.358 22.843 ( 0.000 -4.354 -0.000) 4.354 23.093 ( 0.000 -13.542 -0.000) 13.542 23.746 ( 0.000 -11.540 -0.000) 11.540 32.103 ( 0.000 -4.337 -0.000) 4.337 32.374 ( 0.000 1.432 0.000) 1.432 32.402 ( 0.000 0.062 0.000) 0.062 32.463 ( 0.000 0.289 0.000) 0.289 33.648 ( 0.000 -9.086 -0.000) 9.086 35.002 ( 0.000 0.597 0.000) 0.597 35.749 ( 0.000 2.018 0.000) 2.018 36.423 ( 0.000 3.437 0.000) 3.437 ======================= Grid point 148 (62/144) ======================= q-point: ( 0.17 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 10.371 -12.401 -0.000) 16.166 0.963 ( 5.437 -15.652 -0.000) 16.569 1.141 ( 43.880 -8.825 -0.000) 44.758 1.885 ( 33.061 -57.506 -0.000) 66.332 2.589 ( 1.851 -55.293 -0.000) 55.324 2.832 ( 19.022 -18.597 -0.000) 26.602 3.907 ( 17.542 -22.197 -0.000) 28.291 5.905 ( -3.059 -21.007 -0.000) 21.229 7.061 ( -51.297 21.945 0.000) 55.794 7.826 ( -46.587 -14.827 -0.000) 48.889 8.825 ( 20.968 0.688 0.000) 20.979 9.137 ( 20.094 -0.286 -0.000) 20.096 10.017 ( 26.966 -6.244 -0.000) 27.679 10.595 ( -6.604 0.506 0.000) 6.623 10.813 ( -8.260 2.546 0.000) 8.643 11.951 ( -6.356 -1.155 -0.000) 6.460 12.118 ( 8.168 11.865 0.000) 14.404 12.653 ( 7.139 5.726 0.000) 9.152 12.852 ( -5.810 4.051 0.000) 7.083 13.288 ( -4.732 7.829 0.000) 9.148 14.490 ( 6.275 -18.764 -0.000) 19.786 14.872 ( -1.669 -1.914 -0.000) 2.540 20.691 ( 9.011 34.517 0.000) 35.674 22.328 ( -18.934 12.088 0.000) 22.464 22.720 ( 5.171 -1.907 -0.000) 5.511 22.970 ( 5.961 -1.167 -0.000) 6.075 23.081 ( 0.747 -12.535 -0.000) 12.557 23.640 ( -6.993 -13.260 -0.000) 14.991 32.110 ( 0.617 -4.430 -0.000) 4.472 32.281 ( -5.328 -7.310 -0.000) 9.046 32.403 ( 0.410 0.165 0.000) 0.442 32.460 ( -0.389 0.174 0.000) 0.426 33.720 ( 7.539 -9.437 -0.000) 12.079 34.865 ( -12.360 -0.728 -0.000) 12.381 35.873 ( 10.508 3.228 0.000) 10.993 36.529 ( 3.219 12.242 0.000) 12.658 ======================= Grid point 149 (63/144) ======================= q-point: ( 0.33 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 7.278 -6.661 -0.000) 9.866 1.081 ( 3.258 -9.755 -0.000) 10.285 1.989 ( 28.371 -40.570 -0.000) 49.506 2.295 ( 6.882 -62.047 -0.000) 62.428 2.875 ( 34.576 -16.556 -0.000) 38.336 3.419 ( 32.269 -9.314 -0.000) 33.586 4.338 ( 23.629 -19.445 -0.000) 30.602 5.753 ( -25.383 -7.575 -0.000) 26.489 6.064 ( -31.417 8.062 0.000) 32.435 6.853 ( -47.199 -14.490 -0.000) 49.373 9.185 ( 19.297 -6.962 -0.000) 20.514 9.637 ( 24.754 6.360 0.000) 25.558 10.098 ( -17.977 -1.685 -0.000) 18.056 10.385 ( -12.593 1.543 0.000) 12.688 10.982 ( 22.926 -2.751 -0.000) 23.090 11.761 ( -12.788 -2.357 -0.000) 13.004 12.304 ( 10.118 9.825 0.000) 14.103 12.702 ( -8.394 2.472 0.000) 8.750 12.810 ( 7.841 6.221 0.000) 10.009 13.156 ( -8.143 7.300 0.000) 10.936 14.636 ( 7.447 -13.640 -0.000) 15.540 14.835 ( -2.399 -4.804 -0.000) 5.370 20.968 ( 18.279 33.010 0.000) 37.733 21.883 ( -24.320 21.900 0.000) 32.727 22.822 ( 4.767 -6.997 -0.000) 8.467 22.979 ( -2.667 -10.676 -0.000) 11.004 23.195 ( 8.149 -4.811 -0.000) 9.463 23.503 ( -6.970 -11.000 -0.000) 13.022 32.127 ( 1.125 -4.903 -0.000) 5.030 32.203 ( -2.883 -7.520 -0.000) 8.054 32.415 ( 0.781 0.225 0.000) 0.813 32.449 ( -0.744 0.139 0.000) 0.757 33.936 ( 13.518 -8.181 -0.000) 15.801 34.569 ( -16.335 -3.461 -0.000) 16.697 36.106 ( 12.005 5.150 0.000) 13.063 36.494 ( -5.733 9.946 0.000) 11.480 ======================= Grid point 150 (64/144) ======================= q-point: (-0.50 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -0.876 -6.643 0.000) 6.700 1.069 ( 0.876 -6.643 0.000) 6.700 2.279 ( -3.825 -64.994 -0.000) 65.107 2.279 ( 3.825 -64.994 -0.000) 65.107 3.624 ( -17.466 3.358 0.000) 17.786 3.624 ( 17.466 3.358 0.000) 17.786 4.900 ( -31.713 -7.028 0.000) 32.482 4.900 ( 31.713 -7.028 0.000) 32.482 6.109 ( -21.899 -11.449 -0.000) 24.712 6.109 ( 21.899 -11.449 -0.000) 24.712 9.627 ( -24.166 -4.126 -0.000) 24.516 9.627 ( 24.166 -4.126 -0.000) 24.516 10.080 ( -18.264 3.866 0.000) 18.669 10.080 ( 18.264 3.866 0.000) 18.669 11.434 ( -19.860 -2.926 -0.000) 20.074 11.434 ( 19.860 -2.926 -0.000) 20.074 12.511 ( -4.162 5.876 0.000) 7.200 12.511 ( 4.162 5.876 0.000) 7.200 12.981 ( -6.889 6.479 0.000) 9.457 12.981 ( 6.889 6.479 0.000) 9.457 14.763 ( -0.927 -8.659 0.000) 8.709 14.763 ( 0.927 -8.659 0.000) 8.709 21.395 ( -23.753 29.073 0.000) 37.542 21.395 ( 23.753 29.073 0.000) 37.542 22.910 ( -1.261 -10.120 -0.000) 10.199 22.910 ( 1.261 -10.120 -0.000) 10.199 23.356 ( -2.642 -8.026 0.000) 8.450 23.356 ( 2.642 -8.026 0.000) 8.450 32.157 ( -0.693 -5.962 -0.000) 6.002 32.157 ( 0.693 -5.962 -0.000) 6.002 32.432 ( -0.429 0.187 0.000) 0.468 32.432 ( 0.429 0.187 0.000) 0.468 34.238 ( -16.232 -6.054 -0.000) 17.324 34.238 ( 16.232 -6.054 -0.000) 17.324 36.331 ( -9.755 7.267 0.000) 12.164 36.331 ( 9.755 7.267 0.000) 12.164 ======================= Grid point 168 (65/144) ======================= q-point: ( 0.00 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 0.000 0.000 1.522) 1.522 2.891 ( 0.000 0.000 39.232) 39.232 3.330 ( 0.000 0.000 27.682) 27.682 4.045 ( 0.000 0.000 41.242) 41.242 4.136 ( 0.000 0.000 46.302) 46.302 4.616 ( 0.000 0.000 35.562) 35.562 5.698 ( 0.000 0.000 41.390) 41.390 6.994 ( 0.000 0.000 10.213) 10.213 7.451 ( 0.000 -0.000 -19.137) 19.137 8.251 ( 0.000 0.000 4.920) 4.920 8.399 ( 0.000 -0.000 -7.466) 7.466 8.655 ( 0.000 0.000 4.984) 4.984 9.805 ( 0.000 0.000 23.138) 23.138 9.966 ( 0.000 -0.000 -26.317) 26.317 10.543 ( 0.000 -0.000 -30.077) 30.077 10.728 ( 0.000 -0.000 -1.555) 1.555 11.994 ( 0.000 -0.000 -1.193) 1.193 12.291 ( 0.000 -0.000 -6.912) 6.912 12.760 ( 0.000 0.000 0.707) 0.707 12.859 ( 0.000 -0.000 -8.894) 8.894 15.319 ( 0.000 0.000 8.621) 8.621 16.595 ( 0.000 0.000 46.717) 46.717 18.890 ( 0.000 -0.000 -36.902) 36.902 21.218 ( 0.000 -0.000 -40.750) 40.750 22.954 ( 0.000 0.000 11.019) 11.019 22.995 ( 0.000 0.000 9.944) 9.944 23.718 ( 0.000 0.000 11.120) 11.120 23.909 ( 0.000 -0.000 -7.761) 7.761 32.045 ( 0.000 0.000 1.213) 1.213 32.095 ( 0.000 0.000 1.180) 1.180 32.383 ( 0.000 -0.000 -0.253) 0.253 32.402 ( 0.000 -0.000 -3.029) 3.029 34.389 ( 0.000 0.000 16.315) 16.315 35.256 ( 0.000 0.000 7.985) 7.985 35.744 ( 0.000 -0.000 -2.058) 2.058 36.268 ( 0.000 -0.000 -11.281) 11.281 ======================= Grid point 169 (66/144) ======================= q-point: ( 0.17 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 35.897 0.000 2.606) 35.991 2.237 ( -35.408 0.000 24.173) 42.873 3.673 ( 9.728 0.000 38.800) 40.000 3.972 ( -8.375 0.000 35.897) 36.862 4.369 ( 19.386 0.000 42.626) 46.827 4.632 ( 1.690 0.000 33.845) 33.888 5.854 ( 15.802 0.000 41.952) 44.829 6.342 ( -43.879 -0.000 -6.379) 44.340 7.538 ( -1.389 0.000 21.349) 21.394 7.545 ( -40.935 0.000 1.353) 40.958 8.928 ( 24.551 -0.000 -8.160) 25.872 9.065 ( 29.885 -0.000 -14.558) 33.242 9.816 ( 1.537 0.000 18.933) 18.995 10.028 ( 7.648 -0.000 -22.329) 23.603 10.645 ( -8.011 -0.000 -0.650) 8.037 10.710 ( 15.576 -0.000 -23.871) 28.503 11.863 ( -12.138 -0.000 -2.368) 12.367 12.214 ( -7.970 -0.000 -6.246) 10.126 12.770 ( 1.357 -0.000 -0.640) 1.500 12.922 ( 4.481 -0.000 -9.076) 10.122 15.352 ( 3.859 0.000 8.580) 9.408 16.441 ( -13.818 0.000 37.743) 40.193 19.142 ( 23.286 -0.000 -29.706) 37.745 21.191 ( -4.341 -0.000 -38.858) 39.100 22.920 ( -5.879 0.000 10.529) 12.060 22.971 ( 1.455 0.000 11.103) 11.198 23.659 ( -4.958 0.000 11.239) 12.284 23.836 ( -6.975 -0.000 -7.677) 10.372 32.050 ( 0.439 0.000 1.174) 1.253 32.093 ( -0.228 0.000 1.168) 1.190 32.396 ( 1.048 -0.000 -0.797) 1.316 32.401 ( -0.013 -0.000 -2.982) 2.982 34.441 ( 5.095 0.000 15.836) 16.635 35.175 ( -7.269 0.000 9.049) 11.607 35.816 ( 6.227 -0.000 -3.144) 6.976 36.254 ( -1.512 -0.000 -11.031) 11.134 ======================= Grid point 170 (67/144) ======================= q-point: ( 0.33 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 7.696 -0.000 -0.600) 7.719 2.676 ( 21.441 0.000 0.994) 21.464 3.674 ( -18.304 0.000 20.599) 27.556 3.731 ( -1.795 0.000 39.335) 39.376 4.662 ( 8.399 0.000 40.529) 41.390 4.688 ( 3.782 0.000 31.626) 31.852 5.667 ( -16.935 0.000 10.871) 20.124 6.175 ( 2.223 0.000 38.892) 38.956 6.845 ( -16.457 0.000 6.745) 17.786 7.394 ( -12.406 0.000 33.081) 35.330 9.319 ( 14.647 -0.000 -18.810) 23.840 9.480 ( 8.998 -0.000 -28.074) 29.481 9.890 ( 6.629 0.000 14.838) 16.252 10.299 ( 6.065 -0.000 -1.767) 6.317 10.500 ( 7.367 -0.000 -7.748) 10.692 11.090 ( 19.536 -0.000 -14.465) 24.308 11.549 ( -17.798 -0.000 -5.516) 18.633 11.971 ( -16.037 -0.000 -5.897) 17.087 12.823 ( 3.956 -0.000 -3.476) 5.266 12.970 ( -0.449 -0.000 -8.403) 8.415 15.495 ( 10.667 0.000 9.513) 14.293 16.113 ( -17.769 0.000 23.780) 29.685 19.727 ( 33.363 -0.000 -21.029) 39.437 20.955 ( -20.597 -0.000 -29.639) 36.093 22.860 ( 1.532 0.000 7.686) 7.837 22.995 ( 0.276 0.000 10.283) 10.287 23.562 ( -3.990 0.000 8.961) 9.809 23.662 ( -9.138 -0.000 -5.769) 10.806 32.062 ( 0.668 0.000 1.110) 1.296 32.086 ( -0.445 0.000 1.131) 1.216 32.403 ( 0.287 -0.000 -2.769) 2.784 32.413 ( 0.388 -0.000 -1.685) 1.729 34.584 ( 8.997 0.000 14.671) 17.210 34.997 ( -10.146 0.000 11.157) 15.080 35.958 ( 7.463 -0.000 -5.464) 9.249 36.201 ( -3.927 -0.000 -9.948) 10.695 ======================= Grid point 171 (68/144) ======================= q-point: (-0.50 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( -17.129 0.000 -14.573) 22.490 2.436 ( 17.129 0.000 -14.573) 22.490 3.621 ( -1.263 0.000 32.216) 32.240 3.621 ( 1.263 0.000 32.216) 32.240 4.738 ( -0.000 0.000 36.593) 36.593 4.738 ( 0.000 0.000 36.593) 36.593 5.763 ( -11.302 0.000 19.246) 22.319 5.763 ( 11.302 0.000 19.246) 22.319 7.059 ( -20.134 0.000 31.547) 37.425 7.059 ( 20.134 0.000 31.547) 37.425 9.508 ( -3.489 -0.000 -27.578) 27.798 9.508 ( 3.489 -0.000 -27.578) 27.798 10.095 ( -10.774 0.000 11.089) 15.461 10.095 ( 10.774 0.000 11.089) 15.461 10.994 ( -25.650 -0.000 -10.042) 27.546 10.994 ( 25.650 -0.000 -10.042) 27.546 11.601 ( -19.477 -0.000 -8.042) 21.072 11.601 ( 19.477 -0.000 -8.042) 21.072 12.913 ( -4.408 -0.000 -6.250) 7.647 12.913 ( 4.408 -0.000 -6.250) 7.647 15.768 ( -14.571 0.000 14.063) 20.250 15.768 ( 14.571 0.000 14.063) 20.250 20.403 ( -32.182 -0.000 -20.573) 38.196 20.403 ( 32.182 -0.000 -20.573) 38.196 22.949 ( -4.879 0.000 6.561) 8.176 22.949 ( 4.879 0.000 6.561) 8.176 23.536 ( -0.396 0.000 1.845) 1.887 23.536 ( 0.396 0.000 1.845) 1.887 32.075 ( -0.111 0.000 1.095) 1.101 32.075 ( 0.111 0.000 1.095) 1.101 32.411 ( -0.289 -0.000 -2.332) 2.350 32.411 ( 0.289 -0.000 -2.332) 2.350 34.785 ( -10.667 0.000 13.115) 16.905 34.785 ( 10.667 0.000 13.115) 16.905 36.098 ( -6.177 -0.000 -7.936) 10.057 36.098 ( 6.177 -0.000 -7.936) 10.057 ======================= Grid point 175 (69/144) ======================= q-point: ( 0.00 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 0.000 -8.811 -0.935) 8.861 3.577 ( 0.000 -2.860 37.609) 37.718 3.622 ( 0.000 -30.127 26.568) 40.168 4.573 ( 0.000 -40.806 29.889) 50.581 4.924 ( 0.000 21.579 34.945) 41.070 5.490 ( 0.000 41.519 28.053) 50.107 6.442 ( 0.000 6.043 35.495) 36.006 7.013 ( 0.000 -0.575 -3.798) 3.841 7.092 ( 0.000 2.479 -19.099) 19.259 8.162 ( 0.000 1.806 -17.350) 17.444 8.334 ( 0.000 -2.622 4.601) 5.296 8.978 ( 0.000 2.930 22.908) 23.095 9.433 ( 0.000 2.712 -31.959) 32.074 10.099 ( 0.000 4.028 -18.909) 19.333 10.218 ( 0.000 0.887 19.274) 19.294 10.739 ( 0.000 3.918 1.597) 4.231 11.959 ( 0.000 -2.359 -1.527) 2.811 12.110 ( 0.000 -10.686 -7.671) 13.154 12.687 ( 0.000 4.603 -11.523) 12.408 12.811 ( 0.000 3.630 2.292) 4.293 15.475 ( 0.000 -8.641 13.327) 15.884 17.397 ( 0.000 -4.178 42.409) 42.614 18.229 ( 0.000 3.732 -37.233) 37.420 20.448 ( 0.000 3.758 -44.116) 44.276 23.168 ( 0.000 -1.890 12.866) 13.004 23.182 ( 0.000 -1.634 11.023) 11.144 23.665 ( 0.000 -9.238 -5.821) 10.919 23.984 ( 0.000 7.796 6.612) 10.222 32.083 ( 0.000 0.914 2.232) 2.412 32.140 ( 0.000 1.571 2.635) 3.068 32.331 ( 0.000 -1.509 -2.882) 3.253 32.386 ( 0.000 1.023 -0.564) 1.169 34.680 ( 0.000 2.720 13.799) 14.064 35.400 ( 0.000 0.128 7.442) 7.443 35.672 ( 0.000 -2.125 -4.902) 5.343 36.048 ( 0.000 -0.914 -11.954) 11.989 ======================= Grid point 176 (70/144) ======================= q-point: ( 0.17 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 31.892 -10.498 -0.437) 33.579 2.681 ( -43.518 -0.052 23.218) 49.325 4.011 ( -1.361 -39.632 30.951) 50.304 4.629 ( -0.736 -30.134 30.775) 43.078 4.869 ( -3.491 19.700 19.384) 27.857 5.593 ( 10.867 40.661 34.595) 54.481 6.303 ( -23.539 -1.111 9.308) 25.337 6.612 ( 11.917 8.144 35.517) 38.338 7.576 ( -35.324 3.220 -1.404) 35.498 7.733 ( 20.640 4.028 -5.427) 21.719 8.631 ( 12.164 -2.003 -22.362) 25.535 8.986 ( 0.295 2.890 4.965) 5.752 9.583 ( 16.443 -1.446 -23.255) 28.517 10.134 ( 2.591 4.687 10.954) 12.193 10.441 ( 19.814 -0.647 -4.501) 20.329 10.686 ( -4.227 5.337 3.278) 7.557 11.782 ( -14.945 -5.441 -4.137) 16.434 12.098 ( -3.837 -2.477 -5.503) 7.151 12.707 ( 0.967 -2.470 -7.029) 7.513 12.815 ( 0.866 5.437 -2.829) 6.190 15.501 ( 3.149 -8.278 12.193) 15.071 16.988 ( -29.022 -3.741 21.143) 36.102 18.700 ( 34.886 3.046 -17.906) 39.331 20.458 ( -0.034 4.147 -42.142) 42.345 23.116 ( -5.592 -1.704 11.267) 12.693 23.183 ( 0.885 -1.549 12.275) 12.404 23.617 ( -4.193 -7.955 -5.062) 10.319 23.918 ( -6.138 6.063 7.928) 11.717 32.086 ( 0.315 0.755 2.260) 2.404 32.137 ( -0.201 1.732 2.534) 3.076 32.335 ( 0.390 -1.211 -2.856) 3.127 32.389 ( 0.162 0.713 -0.734) 1.036 34.724 ( 4.389 2.800 13.436) 14.409 35.339 ( -5.465 0.984 8.126) 9.842 35.724 ( 4.463 -2.501 -5.660) 7.630 36.036 ( -1.280 -1.427 -11.848) 12.002 ======================= Grid point 177 (71/144) ======================= q-point: ( 0.33 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -18.232 -16.685 3.796) 25.004 2.628 ( 6.656 12.034 -10.463) 17.280 3.746 ( -9.314 -33.846 18.136) 39.512 4.464 ( -9.217 -5.361 30.834) 32.625 4.945 ( 8.205 -23.889 25.577) 35.947 5.747 ( -0.132 27.033 37.034) 45.851 6.023 ( -4.456 15.466 26.253) 30.794 6.784 ( -28.256 14.980 19.340) 37.375 7.109 ( 23.133 2.648 22.578) 32.433 7.902 ( -4.104 4.480 13.682) 14.971 8.806 ( 6.263 -0.807 -35.817) 36.370 8.971 ( -1.843 2.300 -23.697) 23.879 10.049 ( 22.903 -8.486 -7.252) 25.478 10.239 ( 12.430 7.315 7.579) 16.293 10.513 ( -7.233 1.205 6.586) 9.856 10.949 ( 21.610 1.822 -3.715) 22.003 11.419 ( -18.879 -3.388 -6.571) 20.275 11.916 ( -14.447 3.144 -2.914) 15.070 12.728 ( 1.839 -5.555 -4.507) 7.386 12.825 ( -0.714 2.145 -7.274) 7.617 15.635 ( 11.029 -7.354 9.843) 16.511 16.422 ( -26.635 -4.703 11.710) 29.473 19.414 ( 34.775 3.456 -14.570) 37.862 20.379 ( -9.684 4.812 -34.303) 35.967 23.018 ( -2.436 -1.131 9.259) 9.640 23.167 ( -3.637 -0.939 7.494) 8.383 23.549 ( -0.967 -5.865 1.461) 6.121 23.773 ( -7.544 2.446 9.549) 12.413 32.094 ( 0.388 0.266 2.347) 2.394 32.132 ( -0.265 2.234 2.303) 3.219 32.348 ( 0.892 -0.692 -2.524) 2.765 32.387 ( -0.505 0.176 -1.265) 1.374 34.849 ( 7.885 2.950 12.532) 15.097 35.201 ( -8.156 2.264 9.774) 12.930 35.824 ( 5.216 -2.911 -7.632) 9.692 35.995 ( -2.843 -2.351 -11.195) 11.787 ======================= Grid point 178 (72/144) ======================= q-point: (-0.50 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 0.000 -31.237 -17.432) 35.772 2.402 ( 0.000 24.542 -17.899) 30.376 3.838 ( 0.000 -36.309 28.405) 46.099 4.335 ( 0.000 -2.705 29.952) 30.074 5.083 ( 0.000 -18.518 26.221) 32.101 5.659 ( 0.000 -7.223 27.281) 28.221 6.021 ( -0.000 26.790 30.068) 40.272 6.415 ( 0.000 33.496 23.650) 41.004 7.588 ( 0.000 -0.459 23.967) 23.972 7.663 ( -0.000 7.187 26.941) 27.883 8.890 ( 0.000 -1.259 -36.651) 36.673 8.928 ( -0.000 2.763 -36.553) 36.658 10.229 ( 0.000 -5.685 8.350) 10.101 10.379 ( 0.000 8.393 11.567) 14.291 10.754 ( 0.000 -7.076 -8.946) 11.406 10.815 ( 0.000 -1.608 -9.061) 9.203 11.507 ( 0.000 0.674 -3.743) 3.803 11.577 ( 0.000 7.466 -0.525) 7.484 12.777 ( 0.000 -3.374 -6.544) 7.362 12.788 ( 0.000 -1.925 -6.083) 6.381 15.926 ( -0.000 -8.371 9.530) 12.684 15.973 ( 0.000 -3.718 8.277) 9.074 19.991 ( 0.000 0.823 -22.306) 22.321 20.066 ( -0.000 7.956 -21.876) 23.277 23.039 ( 0.000 -1.875 3.791) 4.229 23.071 ( -0.000 0.965 5.833) 5.912 23.572 ( 0.000 -6.946 9.834) 12.040 23.667 ( 0.000 2.244 7.499) 7.827 32.098 ( 0.000 -0.193 2.429) 2.437 32.129 ( 0.000 2.699 2.149) 3.450 32.369 ( -0.000 -0.264 -2.005) 2.022 32.369 ( 0.000 -0.254 -1.844) 1.861 35.021 ( 0.000 2.563 11.464) 11.747 35.028 ( -0.000 3.246 11.163) 11.625 35.917 ( 0.000 -3.391 -9.702) 10.277 35.927 ( -0.000 -2.418 -9.694) 9.991 ======================= Grid point 182 (73/144) ======================= q-point: ( 0.00 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 0.000 -12.011 1.124) 12.064 3.733 ( 0.000 -38.963 25.055) 46.324 4.135 ( 0.000 -14.286 28.704) 32.063 4.543 ( 0.000 -35.113 15.053) 38.203 5.602 ( 0.000 12.206 19.680) 23.158 6.123 ( 0.000 22.538 2.939) 22.729 6.530 ( 0.000 -7.008 -19.211) 20.449 6.916 ( 0.000 -8.630 -11.479) 14.361 7.339 ( 0.000 19.671 22.267) 29.711 7.995 ( 0.000 27.227 -4.479) 27.593 8.282 ( 0.000 -12.160 -2.930) 12.508 9.028 ( 0.000 16.102 -16.832) 23.294 9.378 ( 0.000 -5.817 19.414) 20.267 10.007 ( 0.000 11.681 -0.053) 11.682 10.440 ( 0.000 -6.040 8.451) 10.387 10.903 ( 0.000 11.474 6.746) 13.310 11.798 ( 0.000 -18.807 -8.660) 20.705 11.880 ( 0.000 -4.819 -3.418) 5.908 12.564 ( 0.000 10.452 -10.625) 14.904 12.902 ( 0.000 4.736 2.702) 5.452 15.583 ( 0.000 -20.888 13.265) 24.744 17.689 ( 0.000 16.989 -31.354) 35.661 17.911 ( 0.000 -21.444 22.805) 31.303 19.850 ( 0.000 21.343 -29.618) 36.507 23.288 ( 0.000 -8.124 2.289) 8.440 23.355 ( 0.000 -5.697 11.547) 12.877 23.534 ( 0.000 0.543 0.612) 0.818 24.169 ( 0.000 0.637 8.451) 8.475 32.137 ( 0.000 0.952 2.465) 2.642 32.215 ( 0.000 1.508 3.718) 4.012 32.275 ( 0.000 -0.932 -1.753) 1.985 32.390 ( 0.000 0.794 0.031) 0.794 34.922 ( 0.000 2.834 9.003) 9.438 35.516 ( 0.000 0.046 4.934) 4.934 35.529 ( 0.000 -3.415 -7.019) 7.806 35.836 ( 0.000 0.140 -10.546) 10.547 ======================= Grid point 183 (74/144) ======================= q-point: ( 0.17 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 27.954 -10.496 -1.427) 29.894 3.031 ( -43.137 -10.566 19.664) 48.570 4.075 ( -21.085 -32.716 18.110) 42.929 4.707 ( 10.980 -38.452 23.602) 46.434 5.230 ( -21.722 1.205 7.405) 22.981 6.306 ( 11.181 2.893 12.916) 17.327 6.663 ( 9.482 16.749 8.710) 21.126 7.122 ( 11.660 -0.016 -12.546) 17.127 7.417 ( 8.327 12.910 8.151) 17.391 7.930 ( -9.425 24.728 15.852) 30.848 8.130 ( -6.278 -2.729 -24.901) 25.824 9.035 ( 1.991 11.650 -14.004) 18.325 9.431 ( 6.047 -4.058 13.827) 15.628 10.289 ( 20.108 6.063 1.288) 21.041 10.466 ( 5.253 -4.731 7.988) 10.667 10.879 ( -1.849 11.063 7.010) 13.227 11.586 ( -15.274 -11.804 -7.115) 20.573 11.964 ( 2.160 -5.809 -4.453) 7.631 12.566 ( 0.029 5.203 -8.913) 10.320 12.855 ( -4.216 4.139 0.942) 5.983 15.586 ( 1.107 -19.419 11.245) 22.468 17.058 ( -34.370 -2.859 -6.632) 35.121 18.572 ( 37.084 -1.269 -3.141) 37.239 19.897 ( 3.747 20.743 -27.956) 35.012 23.218 ( -5.595 -7.123 2.171) 9.315 23.361 ( -1.952 -2.916 10.062) 10.657 23.521 ( 0.637 -2.592 2.913) 3.951 24.107 ( -5.885 -0.691 9.332) 11.054 32.139 ( 0.220 0.807 2.477) 2.614 32.210 ( -0.360 1.641 3.328) 3.728 32.284 ( 0.928 -0.735 -1.347) 1.793 32.389 ( -0.244 0.632 0.025) 0.678 34.964 ( 4.141 3.242 8.861) 10.304 35.474 ( -3.004 1.606 4.002) 5.255 35.573 ( 2.768 -3.727 -5.877) 7.490 35.812 ( -2.194 -1.374 -10.854) 11.159 ======================= Grid point 184 (75/144) ======================= q-point: ( 0.33 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -35.531 -19.668 -0.444) 40.614 2.633 ( -11.096 18.053 -4.606) 21.685 3.711 ( 3.211 -32.443 16.926) 36.734 4.770 ( -5.059 -38.302 31.264) 49.700 5.085 ( 6.763 -21.000 14.690) 26.505 6.133 ( -23.896 -11.486 8.063) 27.712 6.941 ( 8.752 29.151 14.985) 33.926 7.226 ( -0.755 21.250 7.299) 22.482 7.610 ( 13.448 4.466 15.944) 21.331 7.837 ( 2.794 16.661 -11.079) 20.202 8.151 ( 7.609 6.512 -26.243) 28.089 8.912 ( -15.392 6.079 7.274) 18.077 9.783 ( 26.982 -4.457 -9.832) 29.061 10.422 ( 0.763 -2.173 5.621) 6.074 10.724 ( 3.759 6.304 9.513) 12.016 10.931 ( 7.554 0.590 0.750) 7.614 11.272 ( -9.042 -3.246 -4.836) 10.755 11.906 ( -8.728 1.809 -1.148) 8.987 12.574 ( 1.475 -3.577 -6.006) 7.145 12.755 ( -5.452 1.396 -3.121) 6.435 15.671 ( 8.461 -15.843 6.264) 19.022 16.429 ( -28.155 -7.473 -2.965) 29.281 19.256 ( 30.171 4.724 -9.935) 32.114 19.936 ( -1.602 18.214 -23.309) 29.625 23.107 ( -4.366 -4.936 2.472) 7.038 23.255 ( -6.896 0.736 4.969) 8.531 23.597 ( 6.041 -7.159 9.453) 13.308 23.958 ( -8.296 -3.158 10.682) 13.889 32.145 ( 0.239 0.405 2.542) 2.585 32.203 ( -0.319 2.086 2.746) 3.464 32.310 ( 1.632 -0.387 -0.693) 1.814 32.376 ( -1.095 0.296 -0.026) 1.135 35.082 ( 7.373 4.279 8.416) 11.979 35.387 ( -5.915 4.628 6.532) 9.953 35.633 ( 3.176 -4.769 -8.321) 10.103 35.759 ( -2.891 -4.117 -10.978) 12.076 ======================= Grid point 185 (76/144) ======================= q-point: (-0.50 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 0.000 -26.035 -10.230) 27.973 2.366 ( 0.000 22.811 -11.929) 25.742 3.944 ( 0.000 -37.806 26.277) 46.041 4.673 ( 0.000 -32.091 29.433) 43.544 5.271 ( 0.000 -11.309 10.718) 15.581 5.720 ( 0.000 -27.861 11.881) 30.289 7.003 ( 0.000 28.734 15.126) 32.472 7.202 ( 0.000 29.992 13.692) 32.970 7.771 ( 0.000 9.079 -1.669) 9.231 7.888 ( -0.000 14.889 -18.519) 23.762 8.485 ( 0.000 0.927 5.933) 6.005 8.506 ( -0.000 5.485 -4.736) 7.247 10.211 ( 0.000 -4.996 -4.749) 6.893 10.409 ( 0.000 -3.048 -10.714) 11.140 10.704 ( 0.000 -3.736 -0.021) 3.736 10.809 ( 0.000 8.278 13.877) 16.159 11.435 ( 0.000 -3.104 -3.311) 4.538 11.702 ( -0.000 9.044 4.588) 10.141 12.625 ( 0.000 -4.905 -5.075) 7.058 12.663 ( 0.000 -1.994 -5.186) 5.556 15.913 ( 0.000 -13.781 1.091) 13.824 15.986 ( 0.000 -9.313 0.795) 9.347 19.671 ( 0.000 8.753 -17.028) 19.146 19.824 ( 0.000 15.098 -16.653) 22.478 23.068 ( 0.000 -2.924 2.826) 4.067 23.166 ( 0.000 0.490 3.792) 3.824 23.700 ( 0.000 -9.685 12.148) 15.536 23.833 ( 0.000 -2.833 10.303) 10.685 32.147 ( 0.000 0.120 2.606) 2.609 32.200 ( 0.000 2.399 2.473) 3.445 32.345 ( -0.000 -0.093 -0.160) 0.185 32.347 ( 0.000 0.006 -0.285) 0.285 35.238 ( 0.000 5.077 7.735) 9.253 35.246 ( -0.000 5.460 7.715) 9.451 35.686 ( 0.000 -5.660 -10.094) 11.572 35.709 ( 0.000 -4.726 -9.953) 11.017 ======================= Grid point 189 (77/144) ======================= q-point: ( 0.00 -0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 0.000 -11.354 5.507) 12.619 3.718 ( 0.000 -44.668 20.193) 49.021 3.988 ( 0.000 -33.752 -8.461) 34.797 4.720 ( 0.000 -25.711 29.402) 39.058 5.726 ( 0.000 2.810 -25.525) 25.680 6.048 ( 0.000 0.353 -41.791) 41.792 6.191 ( 0.000 -3.386 -0.428) 3.413 6.482 ( 0.000 3.941 -3.048) 4.982 7.450 ( 0.000 -7.334 -15.560) 17.202 8.328 ( 0.000 -1.069 16.026) 16.061 8.538 ( 0.000 26.451 20.789) 33.643 9.205 ( 0.000 26.217 9.301) 27.818 9.493 ( 0.000 -17.534 5.024) 18.239 10.262 ( 0.000 18.455 9.527) 20.769 10.469 ( 0.000 -7.994 3.993) 8.936 11.126 ( 0.000 8.835 4.106) 9.743 11.504 ( 0.000 -12.618 -2.976) 12.964 11.733 ( 0.000 -5.624 -6.177) 8.353 12.510 ( 0.000 12.624 -8.705) 15.334 12.996 ( 0.000 5.253 1.738) 5.533 15.459 ( 0.000 -28.420 1.212) 28.445 17.546 ( 0.000 31.495 -11.125) 33.402 17.662 ( 0.000 -33.911 -14.021) 36.695 19.959 ( 0.000 33.683 6.136) 34.237 23.153 ( 0.000 -8.194 -4.149) 9.185 23.451 ( 0.000 -9.222 7.253) 11.733 23.648 ( 0.000 0.737 7.659) 7.694 24.286 ( 0.000 -3.102 5.488) 6.304 32.183 ( 0.000 0.328 1.801) 1.831 32.254 ( 0.000 -0.167 0.174) 0.241 32.298 ( 0.000 0.613 4.078) 4.124 32.404 ( 0.000 0.935 0.469) 1.046 34.997 ( 0.000 -5.046 -1.994) 5.426 35.415 ( 0.000 1.707 -1.977) 2.612 35.533 ( 0.000 -5.641 -2.107) 6.022 35.728 ( 0.000 7.435 -3.130) 8.067 ======================= Grid point 190 (78/144) ======================= q-point: ( 0.17 -0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 18.727 -7.844 -2.732) 20.486 3.107 ( -30.290 -26.153 9.387) 41.104 4.057 ( -18.219 -26.391 14.066) 35.018 4.762 ( 6.529 -33.866 23.069) 41.494 5.240 ( -24.237 -7.930 -3.184) 25.700 6.032 ( -3.258 -8.588 -38.303) 39.389 6.300 ( 11.102 -9.058 -33.935) 36.835 7.006 ( 29.990 -0.009 -2.362) 30.083 7.695 ( 18.918 8.170 -2.819) 20.799 7.924 ( -25.313 -0.339 7.470) 26.395 8.676 ( 4.721 27.579 27.806) 39.447 9.108 ( -1.293 21.255 5.036) 21.882 9.584 ( 1.223 -10.823 6.245) 12.555 10.375 ( 6.758 1.925 5.370) 8.844 10.567 ( 12.130 1.257 4.581) 13.027 11.100 ( -1.932 9.796 4.682) 11.028 11.361 ( -11.224 -8.692 -3.636) 14.655 11.824 ( 6.265 -5.883 -3.755) 9.379 12.498 ( -1.269 9.699 -7.195) 12.143 12.920 ( -7.266 4.590 0.943) 8.646 15.455 ( 0.280 -25.960 0.245) 25.962 16.855 ( -35.020 -2.468 -11.601) 36.974 18.389 ( 38.631 0.998 -12.527) 40.624 19.994 ( 2.408 32.047 4.729) 32.483 23.107 ( -3.708 -7.308 -3.455) 8.893 23.473 ( -0.254 -7.495 7.267) 10.443 23.611 ( -1.567 -1.862 7.332) 7.726 24.223 ( -5.978 -4.367 5.990) 9.523 32.184 ( 0.021 0.172 1.753) 1.762 32.261 ( 0.412 0.410 0.744) 0.945 32.301 ( 0.488 0.370 3.489) 3.543 32.404 ( -0.148 0.858 0.700) 1.117 35.042 ( 4.442 -4.575 -2.264) 6.767 35.430 ( 1.370 1.642 -2.029) 2.948 35.529 ( -0.461 -5.466 -3.323) 6.413 35.689 ( -3.697 7.111 -1.627) 8.178 ======================= Grid point 191 (79/144) ======================= q-point: ( 0.33 -0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -31.952 -10.286 -5.786) 34.062 2.819 ( -20.204 15.005 4.747) 25.610 3.726 ( 9.660 -27.505 19.370) 35.001 4.870 ( -1.659 -48.922 29.355) 57.078 5.026 ( 3.923 -21.841 1.660) 22.252 5.843 ( -16.347 -13.568 -27.833) 35.014 6.505 ( 8.159 -6.218 -43.050) 44.255 7.138 ( -22.249 -4.892 -22.538) 32.046 7.769 ( 25.826 -2.736 4.139) 26.298 8.157 ( 15.723 27.150 16.674) 35.530 8.680 ( -1.638 24.889 29.404) 38.558 9.106 ( -7.590 10.922 5.252) 14.300 9.667 ( 15.037 0.553 -0.276) 15.049 10.420 ( -2.732 -4.871 -0.460) 5.603 10.746 ( -3.164 -2.465 -3.365) 5.235 11.137 ( -2.602 4.045 6.754) 8.292 11.189 ( 8.425 2.425 2.525) 9.123 11.923 ( 2.551 0.390 2.129) 3.346 12.468 ( -0.694 2.445 -4.434) 5.111 12.731 ( -10.643 2.336 -1.824) 11.048 15.513 ( 6.536 -20.107 -2.873) 21.337 16.226 ( -27.379 -7.212 -9.549) 29.880 19.115 ( 32.995 8.538 -10.543) 35.675 19.981 ( -5.554 26.678 0.022) 27.250 23.057 ( -0.133 -5.064 -0.826) 5.132 23.357 ( -9.155 -1.183 5.565) 10.778 23.675 ( 6.243 -10.061 7.907) 14.238 24.072 ( -8.379 -6.610 7.036) 12.783 32.184 ( 0.033 -0.175 1.692) 1.701 32.262 ( -0.189 1.421 1.702) 2.225 32.325 ( 1.841 0.095 2.359) 2.994 32.394 ( -0.960 0.655 1.295) 1.740 35.165 ( 7.570 -3.440 -3.480) 9.013 35.445 ( -1.652 -0.487 -4.675) 4.982 35.515 ( -0.198 -2.435 -3.552) 4.311 35.602 ( -4.083 5.562 2.336) 7.285 ======================= Grid point 192 (80/144) ======================= q-point: (-0.50 -0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 0.000 -4.752 10.171) 11.226 2.451 ( -0.000 25.097 -6.139) 25.837 4.031 ( 0.000 -38.179 26.600) 46.532 4.796 ( 0.000 -42.075 26.985) 49.985 5.200 ( 0.000 -13.831 -6.426) 15.251 5.522 ( -0.000 -25.764 -7.485) 26.829 6.614 ( 0.000 -9.898 -36.957) 38.260 6.848 ( -0.000 1.465 -43.328) 43.352 8.197 ( 0.000 6.292 11.362) 12.988 8.228 ( -0.000 19.307 10.848) 22.146 8.753 ( 0.000 8.049 15.635) 17.586 8.857 ( 0.000 23.944 25.737) 35.153 10.027 ( 0.000 -0.175 -10.196) 10.197 10.241 ( -0.000 3.295 -4.693) 5.734 10.662 ( 0.000 -5.699 -0.539) 5.724 11.078 ( 0.000 -0.282 2.929) 2.942 11.386 ( 0.000 2.135 5.486) 5.887 11.924 ( 0.000 8.079 9.792) 12.695 12.505 ( -0.000 -2.470 -3.935) 4.646 12.565 ( 0.000 0.423 -4.677) 4.696 15.689 ( -0.000 -16.259 -7.888) 18.071 15.837 ( 0.000 -9.755 -5.255) 11.081 19.587 ( 0.000 15.586 -5.963) 16.687 19.796 ( 0.000 19.670 -6.382) 20.679 23.092 ( 0.000 -2.611 3.125) 4.072 23.218 ( -0.000 -1.422 2.481) 2.860 23.774 ( 0.000 -13.067 8.423) 15.546 23.952 ( 0.000 -6.301 7.424) 9.738 32.185 ( 0.000 -0.374 1.687) 1.728 32.259 ( 0.000 1.733 1.755) 2.466 32.362 ( 0.000 0.230 1.633) 1.649 32.367 ( -0.000 0.493 2.169) 2.224 35.307 ( 0.000 -2.974 -7.037) 7.640 35.352 ( -0.000 -1.675 -4.283) 4.598 35.539 ( 0.000 1.977 1.894) 2.738 35.546 ( -0.000 2.103 -0.038) 2.104 ======================= Grid point 196 (81/144) ======================= q-point: ( 0.00 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 0.000 -8.289 8.798) 12.088 3.384 ( 0.000 -33.894 -18.221) 38.481 3.519 ( 0.000 -45.671 7.825) 46.337 4.642 ( 0.000 -15.812 -35.161) 38.553 4.984 ( 0.000 -3.253 -46.966) 47.078 5.204 ( 0.000 -33.707 -3.189) 33.858 6.192 ( 0.000 -15.643 2.225) 15.800 6.742 ( 0.000 21.372 9.492) 23.386 7.107 ( 0.000 -2.341 -10.634) 10.888 8.542 ( 0.000 -5.279 10.772) 11.996 8.880 ( 0.000 -22.929 -3.673) 23.221 9.307 ( 0.000 -6.081 6.480) 8.887 9.732 ( 0.000 22.790 16.139) 27.926 10.430 ( 0.000 -10.548 1.734) 10.689 10.735 ( 0.000 28.710 14.881) 32.337 11.136 ( 0.000 -7.190 -5.479) 9.040 11.471 ( 0.000 1.267 4.437) 4.615 11.645 ( 0.000 6.321 -0.783) 6.370 12.504 ( 0.000 13.310 -6.685) 14.894 13.062 ( 0.000 6.194 -1.194) 6.308 15.136 ( 0.000 -19.684 -6.546) 20.744 16.937 ( 0.000 -33.446 -24.107) 41.229 17.879 ( 0.000 34.834 8.005) 35.742 20.551 ( 0.000 31.373 18.904) 36.628 23.014 ( 0.000 -6.930 -2.407) 7.337 23.424 ( 0.000 -11.065 1.301) 11.141 23.776 ( 0.000 -2.776 7.070) 7.596 24.289 ( 0.000 -4.112 -1.252) 4.298 32.211 ( 0.000 -0.465 1.504) 1.575 32.271 ( 0.000 0.398 1.201) 1.265 32.369 ( 0.000 -0.430 3.539) 3.565 32.421 ( 0.000 1.006 0.095) 1.011 34.774 ( 0.000 -12.857 -9.633) 16.066 35.378 ( 0.000 -7.176 -5.844) 9.254 35.477 ( 0.000 5.765 2.280) 6.200 35.832 ( 0.000 10.436 2.730) 10.787 ======================= Grid point 197 (82/144) ======================= q-point: ( 0.17 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 1.880 -4.322 -6.435) 7.976 2.912 ( -6.950 -30.270 3.669) 31.273 3.948 ( 10.020 -39.175 6.051) 40.887 4.636 ( -1.956 -16.108 -33.217) 36.969 4.781 ( -17.669 4.465 -37.534) 41.725 5.221 ( -0.871 -34.511 -6.299) 35.092 5.821 ( -18.340 -2.800 -7.087) 19.860 6.744 ( 13.056 -26.927 -8.652) 31.151 7.836 ( 37.102 17.379 2.695) 41.059 8.032 ( -27.303 -4.676 6.727) 28.506 8.973 ( -3.382 -28.562 -12.219) 31.250 9.432 ( 11.089 11.347 19.792) 25.367 9.761 ( 2.148 17.891 13.681) 22.625 10.410 ( -1.251 -8.637 1.670) 8.885 10.765 ( -0.593 13.038 4.969) 13.965 11.202 ( 7.418 1.783 2.272) 7.961 11.347 ( -8.045 5.861 4.746) 11.027 11.761 ( 8.707 3.257 -0.767) 9.328 12.501 ( -0.485 11.628 -4.740) 12.566 12.972 ( -8.795 6.037 -1.475) 10.769 15.144 ( 1.345 -18.216 -6.728) 19.465 16.521 ( -29.670 -16.865 -15.380) 37.434 18.366 ( 36.784 19.478 0.666) 41.628 20.538 ( -2.667 30.381 16.863) 34.850 22.981 ( -2.113 -6.761 -2.220) 7.423 23.457 ( 2.317 -10.908 1.668) 11.276 23.713 ( -5.387 -3.543 6.423) 9.101 24.221 ( -6.333 -5.179 -0.879) 8.228 32.210 ( -0.072 -0.528 1.577) 1.665 32.285 ( 1.227 0.718 1.318) 1.938 32.365 ( -0.180 -0.432 3.281) 3.314 32.425 ( 0.282 0.956 0.415) 1.079 34.819 ( 4.335 -12.438 -9.687) 16.351 35.333 ( -3.891 -7.170 -6.897) 10.682 35.517 ( 3.318 5.853 2.810) 7.291 35.814 ( -1.738 10.272 3.466) 10.980 ======================= Grid point 198 (83/144) ======================= q-point: ( 0.33 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -6.026 5.026 -3.699) 8.675 3.045 ( -10.190 4.877 7.420) 13.516 3.834 ( 2.479 -18.509 15.680) 24.384 4.532 ( 1.178 -15.310 -39.634) 42.504 4.696 ( 1.988 -25.154 -21.556) 33.186 5.099 ( -10.859 -38.755 -1.750) 40.286 5.763 ( 8.794 -14.333 -21.137) 27.010 6.763 ( -24.801 -18.279 -8.496) 31.959 7.668 ( 13.167 -14.837 -3.810) 20.199 8.475 ( 2.776 -6.011 -1.494) 6.787 8.937 ( 13.455 1.499 -3.189) 13.909 9.599 ( 2.458 17.866 20.826) 27.549 9.815 ( 4.921 12.875 7.745) 15.811 10.383 ( -2.594 -2.402 2.816) 4.520 10.677 ( -5.544 -0.535 -5.407) 7.762 11.098 ( -10.743 -1.309 5.061) 11.947 11.506 ( 14.248 14.102 10.980) 22.857 11.968 ( 12.301 2.969 -0.397) 12.660 12.478 ( -1.779 7.746 -0.357) 7.955 12.727 ( -14.900 5.353 -3.156) 16.144 15.217 ( 6.440 -15.072 -7.869) 18.181 15.961 ( -24.674 -9.445 -10.088) 28.280 19.136 ( 38.421 15.627 -0.209) 41.478 20.366 ( -16.130 25.787 10.466) 32.167 22.995 ( 4.681 -4.940 -0.149) 6.807 23.412 ( -8.722 -4.915 3.507) 10.608 23.667 ( 2.785 -10.675 3.348) 11.529 24.068 ( -8.083 -7.071 0.290) 10.743 32.209 ( -0.051 -0.671 1.707) 1.835 32.303 ( 0.286 1.264 1.489) 1.974 32.374 ( 1.223 -0.358 2.646) 2.937 32.426 ( -0.282 0.792 1.186) 1.454 34.935 ( 6.868 -11.333 -9.910) 16.547 35.233 ( -5.981 -8.510 -8.853) 13.659 35.596 ( 4.353 7.264 4.046) 9.385 35.763 ( -3.337 9.722 4.656) 11.284 ======================= Grid point 199 (84/144) ======================= q-point: (-0.50 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 0.000 15.458 21.965) 26.859 2.632 ( -0.000 27.681 -4.902) 28.112 4.073 ( -0.000 -33.289 12.262) 35.476 4.593 ( 0.000 -2.525 -45.801) 45.871 4.805 ( 0.000 -20.851 -36.933) 42.412 4.840 ( -0.000 -57.357 27.253) 63.502 6.042 ( 0.000 -24.246 -6.787) 25.178 6.223 ( -0.000 -3.507 -21.153) 21.442 8.142 ( 0.000 -21.510 -5.284) 22.149 8.144 ( -0.000 -21.095 -13.330) 24.954 9.238 ( -0.000 21.051 14.556) 25.594 9.552 ( 0.000 17.772 15.978) 23.899 9.918 ( 0.000 6.250 -3.397) 7.114 10.310 ( 0.000 6.839 1.367) 6.974 10.632 ( -0.000 3.043 3.588) 4.704 10.966 ( 0.000 -10.247 1.479) 10.353 11.666 ( 0.000 13.502 10.316) 16.992 12.184 ( 0.000 6.416 8.822) 10.909 12.428 ( -0.000 3.407 -5.230) 6.242 12.510 ( 0.000 4.938 -3.783) 6.220 15.347 ( -0.000 -14.635 -10.699) 18.129 15.643 ( 0.000 -6.307 -6.221) 8.859 19.758 ( 0.000 18.641 4.658) 19.214 19.969 ( -0.000 19.492 2.302) 19.627 23.131 ( 0.000 -1.626 3.605) 3.955 23.226 ( -0.000 -4.058 1.578) 4.354 23.728 ( 0.000 -14.573 2.298) 14.753 23.961 ( 0.000 -6.934 1.205) 7.038 32.208 ( 0.000 -0.773 1.798) 1.957 32.304 ( 0.000 1.389 1.502) 2.045 32.396 ( 0.000 -0.141 1.705) 1.710 32.417 ( -0.000 0.667 2.216) 2.314 35.053 ( 0.000 -9.904 -10.201) 14.218 35.126 ( -0.000 -10.019 -9.523) 13.823 35.679 ( -0.000 7.884 4.824) 9.243 35.690 ( 0.000 9.463 4.928) 10.669 ======================= Grid point 203 (85/144) ======================= q-point: ( 0.00 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 0.000 -3.624 7.349) 8.194 2.655 ( 0.000 -32.295 -25.560) 41.186 2.987 ( 0.000 -32.869 -23.361) 40.325 3.436 ( 0.000 -7.619 -68.772) 69.193 4.180 ( 0.000 -17.856 -25.432) 31.074 5.045 ( 0.000 -57.675 24.120) 62.516 5.850 ( 0.000 -40.875 -6.816) 41.440 7.068 ( 0.000 14.483 -2.706) 14.734 7.173 ( 0.000 27.126 9.121) 28.618 8.144 ( 0.000 -48.488 -23.456) 53.864 8.639 ( 0.000 -8.144 8.115) 11.496 9.530 ( 0.000 -1.926 13.487) 13.624 10.086 ( 0.000 -5.479 3.406) 6.452 10.337 ( 0.000 -1.125 2.409) 2.659 10.925 ( 0.000 -6.533 -5.226) 8.366 11.257 ( 0.000 28.735 5.167) 29.196 11.670 ( 0.000 10.931 12.390) 16.523 11.787 ( 0.000 9.993 4.633) 11.015 12.536 ( 0.000 13.695 -5.358) 14.706 13.075 ( 0.000 8.191 -5.380) 9.800 14.892 ( 0.000 -7.448 -4.194) 8.548 16.175 ( 0.000 -34.428 -20.734) 40.189 18.485 ( 0.000 35.424 17.836) 39.661 21.217 ( 0.000 28.139 19.766) 34.388 22.924 ( 0.000 -6.125 -0.344) 6.135 23.284 ( 0.000 -10.720 -3.854) 11.392 23.811 ( 0.000 -7.096 0.455) 7.110 24.178 ( 0.000 -4.418 -4.338) 6.192 32.231 ( 0.000 -1.556 1.775) 2.361 32.297 ( 0.000 0.749 0.926) 1.191 32.415 ( 0.000 -0.999 2.402) 2.602 32.423 ( 0.000 0.826 -0.925) 1.240 34.446 ( 0.000 -15.980 -9.403) 18.541 35.202 ( 0.000 -6.075 -5.608) 8.268 35.574 ( 0.000 5.281 1.767) 5.568 36.015 ( 0.000 10.449 5.071) 11.615 ======================= Grid point 204 (86/144) ======================= q-point: ( 0.17 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -12.208 -0.621 -10.689) 16.239 2.640 ( 16.701 -23.289 -6.965) 29.493 3.226 ( 8.832 -19.043 -52.395) 56.443 3.530 ( 7.727 -15.496 -50.952) 53.814 4.229 ( 2.454 -20.309 -10.764) 23.116 5.034 ( -1.434 -57.071 23.856) 61.873 5.807 ( -19.933 -7.248 -0.881) 21.228 6.272 ( -13.567 -19.440 -8.994) 25.355 7.918 ( -13.923 -24.103 -7.451) 28.816 8.122 ( 18.171 9.079 2.769) 20.500 8.340 ( 0.151 -19.072 -9.313) 21.225 9.748 ( 11.675 -3.884 7.247) 14.279 10.088 ( -0.617 0.065 7.840) 7.865 10.387 ( 6.732 -0.434 5.076) 8.442 10.766 ( -12.618 -1.913 -4.061) 13.392 11.444 ( 13.788 20.282 0.652) 24.534 11.593 ( -4.805 11.682 15.985) 20.373 11.849 ( 4.827 10.066 2.945) 11.545 12.552 ( 1.170 12.494 -3.942) 13.153 12.987 ( -8.689 8.497 -4.964) 13.127 14.905 ( 1.672 -7.595 -4.257) 8.866 16.002 ( -15.051 -25.643 -15.968) 33.750 18.767 ( 25.923 28.589 13.954) 41.037 21.161 ( -7.520 27.260 18.137) 33.594 22.888 ( -1.465 -6.451 -0.681) 6.650 23.325 ( 3.411 -10.756 -3.265) 11.747 23.736 ( -6.838 -7.654 0.848) 10.299 24.107 ( -6.467 -4.536 -4.586) 9.134 32.232 ( 0.082 -1.477 1.880) 2.392 32.316 ( 1.550 0.738 1.065) 2.020 32.406 ( -0.510 -0.715 1.808) 2.010 32.433 ( 0.684 0.644 -0.313) 0.991 34.498 ( 5.019 -15.441 -9.153) 18.639 35.137 ( -5.842 -7.241 -6.001) 11.071 35.629 ( 4.889 6.221 2.227) 8.220 36.002 ( -1.342 10.619 5.022) 11.823 ======================= Grid point 205 (87/144) ======================= q-point: ( 0.33 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 27.618 18.901 -0.224) 33.467 3.028 ( 7.478 -5.169 -30.100) 31.443 3.357 ( 5.760 -10.035 -55.339) 56.536 3.548 ( -12.673 -3.631 -33.640) 36.131 4.226 ( 6.016 -22.605 12.705) 26.619 4.917 ( -10.863 -53.557 22.648) 59.155 5.435 ( 1.488 -18.455 -0.128) 18.515 6.325 ( -5.332 -32.616 -13.125) 35.560 7.409 ( -14.213 -17.644 -5.025) 23.207 7.944 ( -15.618 -39.338 -20.419) 46.993 9.043 ( 37.646 15.772 0.892) 40.827 9.869 ( 1.670 -3.801 -0.244) 4.159 10.027 ( -5.822 3.427 7.016) 9.740 10.401 ( -14.076 -2.884 -5.813) 15.500 10.699 ( 13.949 6.195 13.938) 20.669 11.365 ( -12.383 10.802 13.872) 21.505 11.838 ( 15.651 12.222 8.279) 21.514 11.972 ( 10.132 12.086 -4.182) 16.316 12.565 ( -0.267 9.913 -2.284) 10.176 12.740 ( -15.493 9.374 -2.884) 18.337 14.974 ( 5.179 -8.835 -4.540) 11.202 15.675 ( -15.602 -12.273 -9.298) 21.920 19.414 ( 36.786 20.441 9.555) 43.155 20.832 ( -25.965 22.093 12.655) 36.365 22.954 ( 8.786 -4.368 1.050) 9.868 23.366 ( -2.042 -8.723 -0.879) 9.002 23.595 ( -4.759 -9.352 0.063) 10.494 23.956 ( -7.617 -5.081 -4.731) 10.306 32.234 ( 0.134 -1.397 2.190) 2.600 32.339 ( 0.451 0.466 1.255) 1.413 32.404 ( 0.431 -0.518 1.131) 1.317 32.446 ( 0.435 0.675 0.093) 0.809 34.632 ( 8.032 -13.998 -8.509) 18.244 34.993 ( -8.213 -9.705 -6.937) 14.483 35.743 ( 6.114 8.020 3.268) 10.601 35.955 ( -3.468 10.602 4.748) 12.123 ======================= Grid point 206 (88/144) ======================= q-point: (-0.50 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 0.000 21.758 21.333) 30.471 2.767 ( -0.000 23.157 -17.641) 29.111 3.319 ( -0.000 -4.146 -54.245) 54.403 3.463 ( 0.000 -4.063 -68.729) 68.849 4.466 ( 0.000 -42.717 26.638) 50.342 4.740 ( -0.000 -55.291 23.279) 59.992 5.711 ( 0.000 -31.326 -1.340) 31.354 5.937 ( 0.000 -12.016 -5.649) 13.277 7.504 ( 0.000 -34.464 -21.999) 40.887 7.634 ( -0.000 -34.347 -16.627) 38.160 9.610 ( 0.000 15.027 6.467) 16.359 9.761 ( 0.000 8.042 0.575) 8.062 9.926 ( -0.000 -2.576 -1.766) 3.123 10.215 ( 0.000 -9.211 -8.233) 12.355 10.956 ( 0.000 15.221 17.082) 22.880 11.139 ( -0.000 4.637 16.890) 17.516 11.950 ( 0.000 10.196 6.086) 11.874 12.288 ( 0.000 9.096 -5.802) 10.789 12.403 ( -0.000 13.645 -5.634) 14.762 12.580 ( 0.000 7.820 3.462) 8.552 15.056 ( 0.000 -12.018 -5.199) 13.095 15.484 ( -0.000 -4.269 -6.182) 7.513 20.102 ( 0.000 19.263 10.758) 22.063 20.246 ( -0.000 17.047 6.929) 18.402 23.188 ( 0.000 -0.536 3.510) 3.551 23.194 ( -0.000 -6.471 0.932) 6.538 23.579 ( 0.000 -13.263 -1.925) 13.402 23.862 ( 0.000 -5.140 -4.882) 7.089 32.236 ( 0.000 -1.419 2.424) 2.809 32.341 ( 0.000 0.336 1.384) 1.425 32.412 ( 0.000 -0.333 0.275) 0.431 32.450 ( 0.000 0.545 0.582) 0.798 34.777 ( 0.000 -11.877 -7.435) 14.012 34.848 ( -0.000 -12.253 -8.126) 14.702 35.849 ( 0.000 8.956 4.199) 9.892 35.878 ( 0.000 10.385 4.148) 11.182 ======================= Grid point 210 (89/144) ======================= q-point: ( 0.00 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 0.000 0.198 -8.704) 8.706 1.689 ( 0.000 -13.014 -56.512) 57.991 2.168 ( 0.000 -18.288 -26.694) 32.358 2.301 ( 0.000 -28.266 -30.950) 41.915 3.698 ( 0.000 -34.186 -1.681) 34.228 4.764 ( 0.000 -69.028 14.986) 70.636 5.179 ( 0.000 -53.863 -11.074) 54.989 7.224 ( 0.000 -48.728 -17.112) 51.645 7.226 ( 0.000 19.560 -0.455) 19.565 7.600 ( 0.000 27.877 4.023) 28.166 8.672 ( 0.000 -9.520 5.358) 10.924 9.694 ( 0.000 -5.841 8.571) 10.372 9.791 ( 0.000 -27.301 -6.176) 27.991 10.503 ( 0.000 8.890 3.868) 9.695 10.849 ( 0.000 0.149 -0.817) 0.830 11.500 ( 0.000 22.077 -2.898) 22.267 11.960 ( 0.000 5.656 4.488) 7.220 12.099 ( 0.000 16.087 14.959) 21.967 12.580 ( 0.000 14.336 -5.855) 15.485 13.057 ( 0.000 11.050 -6.448) 12.794 14.827 ( 0.000 0.361 0.220) 0.423 15.507 ( 0.000 -36.227 -12.368) 38.280 19.202 ( 0.000 37.604 18.061) 41.716 21.800 ( 0.000 24.534 13.613) 28.058 22.868 ( 0.000 -5.773 0.676) 5.812 23.094 ( 0.000 -8.776 -4.964) 10.082 23.601 ( 0.000 -8.453 -12.662) 15.224 24.103 ( 0.000 -9.104 2.804) 9.526 32.237 ( 0.000 -3.489 1.493) 3.795 32.319 ( 0.000 1.482 0.242) 1.501 32.408 ( 0.000 0.494 -1.281) 1.373 32.439 ( 0.000 -0.621 1.432) 1.561 34.133 ( 0.000 -16.960 -5.842) 17.938 35.065 ( 0.000 -3.612 -3.709) 5.177 35.646 ( 0.000 4.238 0.818) 4.317 36.204 ( 0.000 8.677 4.207) 9.643 ======================= Grid point 211 (90/144) ======================= q-point: ( 0.17 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -5.912 1.949 -8.501) 10.536 1.810 ( 5.145 -3.662 -63.392) 63.706 2.074 ( 3.071 -10.980 -52.385) 53.611 2.880 ( 35.556 -24.553 0.477) 43.212 3.874 ( 14.661 -40.089 2.581) 42.764 4.754 ( -1.142 -68.634 14.893) 70.240 5.284 ( 9.809 -49.538 -13.796) 52.351 6.310 ( -52.383 20.827 1.850) 56.401 7.172 ( -5.996 -46.323 -17.550) 49.897 8.164 ( -38.362 -9.063 4.067) 39.627 8.417 ( 42.114 18.541 1.321) 46.033 9.611 ( 1.159 -19.580 -3.753) 19.970 10.168 ( 13.522 -5.682 5.882) 15.803 10.503 ( 2.441 4.230 2.327) 5.410 10.742 ( -6.041 0.247 1.389) 6.203 11.603 ( 9.021 19.994 -2.780) 22.110 11.909 ( -4.601 5.964 5.143) 9.121 12.153 ( 4.622 16.757 13.727) 22.150 12.595 ( 0.775 13.280 -6.187) 14.671 12.988 ( -6.598 11.624 -5.378) 14.408 14.835 ( 1.167 -1.496 1.039) 2.163 15.465 ( -4.050 -29.538 -11.270) 31.873 19.377 ( 17.148 33.746 15.717) 40.986 21.707 ( -12.645 22.939 12.334) 28.952 22.820 ( -0.375 -5.836 0.024) 5.848 23.152 ( 4.453 -8.507 -3.782) 10.320 23.550 ( -4.490 -8.880 -10.215) 14.260 24.017 ( -7.718 -8.253 1.254) 11.369 32.242 ( 0.445 -3.276 1.613) 3.679 32.335 ( 1.133 0.628 0.240) 1.318 32.410 ( 0.076 0.138 -0.752) 0.768 32.441 ( 0.226 -0.026 0.871) 0.900 34.196 ( 6.055 -16.394 -5.596) 18.350 34.982 ( -7.503 -5.476 -3.585) 9.957 35.720 ( 6.580 5.668 1.066) 8.749 36.193 ( -1.379 9.557 3.911) 10.418 ======================= Grid point 212 (91/144) ======================= q-point: ( 0.33 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 37.707 17.893 -10.906) 43.138 1.906 ( 8.270 0.580 -59.679) 60.252 2.168 ( 6.959 -2.649 -56.666) 57.153 3.450 ( 8.588 -13.475 10.906) 19.346 4.173 ( 16.828 -39.940 10.399) 44.570 4.682 ( -8.139 -63.050 15.274) 65.382 5.296 ( -14.761 -14.492 -2.529) 20.840 5.686 ( 2.011 -28.361 -13.433) 31.445 6.984 ( -12.821 -37.788 -14.423) 42.430 7.342 ( -36.033 -19.729 -4.437) 41.319 9.208 ( 35.324 13.236 0.073) 37.722 9.698 ( 6.834 -14.196 -3.310) 16.099 10.137 ( -9.117 1.625 0.989) 9.313 10.306 ( -19.710 1.126 -1.337) 19.788 11.000 ( 22.371 -0.498 11.288) 25.063 11.684 ( -7.769 7.099 9.715) 14.323 11.909 ( 10.207 13.116 -5.977) 17.662 12.246 ( 3.575 17.578 9.204) 20.161 12.583 ( -2.039 12.642 -7.070) 14.627 12.820 ( -9.066 12.455 -1.450) 15.473 14.884 ( 3.531 -6.208 2.991) 7.743 15.360 ( -5.682 -15.959 -9.776) 19.559 19.856 ( 29.907 25.814 11.341) 41.102 21.235 ( -32.463 17.677 8.471) 37.922 22.943 ( 11.090 -3.379 1.877) 11.744 23.237 ( 2.748 -8.278 -2.133) 8.979 23.458 ( -3.350 -8.085 -5.061) 10.109 23.833 ( -9.898 -5.666 -2.411) 11.657 32.254 ( 0.718 -2.906 2.167) 3.695 32.347 ( -0.055 -1.455 -0.065) 1.458 32.410 ( 0.070 0.124 0.052) 0.152 32.447 ( 0.236 0.430 -0.409) 0.638 34.359 ( 9.851 -14.771 -4.947) 18.431 34.797 ( -10.532 -9.010 -3.805) 14.373 35.873 ( 8.042 7.977 1.842) 11.476 36.139 ( -4.172 10.406 3.209) 11.661 ======================= Grid point 213 (92/144) ======================= q-point: (-0.50 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 0.000 -1.980 -62.773) 62.805 2.092 ( 0.000 -2.443 -63.425) 63.472 2.685 ( 0.000 19.510 13.687) 23.832 3.083 ( -0.000 20.483 -6.638) 21.532 4.471 ( -0.000 -54.109 22.411) 58.566 4.508 ( -0.000 -60.090 15.112) 61.961 5.333 ( -0.000 -29.807 -2.492) 29.911 5.642 ( 0.000 -20.633 -11.067) 23.413 6.807 ( -0.000 -32.212 -12.111) 34.413 6.962 ( -0.000 -33.115 -15.809) 36.695 9.793 ( 0.000 6.741 0.482) 6.758 9.805 ( -0.000 -1.966 -1.786) 2.655 9.888 ( 0.000 3.634 1.155) 3.813 9.983 ( 0.000 -6.767 -4.897) 8.353 11.365 ( 0.000 4.991 13.614) 14.500 11.458 ( -0.000 0.648 11.323) 11.342 12.085 ( -0.000 10.588 0.351) 10.594 12.258 ( 0.000 16.201 -9.774) 18.921 12.553 ( 0.000 19.408 2.088) 19.520 12.706 ( 0.000 9.467 -0.276) 9.471 14.934 ( 0.000 -11.002 4.740) 11.980 15.289 ( -0.000 -7.141 -9.981) 12.273 20.502 ( 0.000 20.365 9.812) 22.606 20.553 ( -0.000 17.850 6.774) 19.092 23.135 ( 0.000 -7.791 0.974) 7.852 23.202 ( -0.000 -3.655 -1.409) 3.917 23.457 ( 0.000 -7.754 2.790) 8.241 23.697 ( -0.000 -3.635 -8.076) 8.856 32.263 ( 0.000 -2.660 2.804) 3.865 32.342 ( 0.000 -2.572 -0.480) 2.617 32.412 ( 0.000 0.482 0.178) 0.513 32.449 ( 0.000 0.220 -0.992) 1.016 34.554 ( 0.000 -12.081 -3.332) 12.532 34.596 ( -0.000 -12.480 -5.271) 13.548 36.011 ( 0.000 9.398 3.176) 9.921 36.040 ( 0.000 10.118 1.934) 10.301 ======================= Grid point 217 (93/144) ======================= q-point: ( 0.00 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 0.000 -6.467 -0.000) 6.467 1.190 ( 0.000 -10.786 -0.000) 10.786 1.683 ( 0.000 -37.797 -0.000) 37.797 1.878 ( 0.000 -10.807 -0.000) 10.807 3.306 ( 0.000 -41.068 -0.000) 41.068 4.142 ( 0.000 -76.130 -0.000) 76.130 4.493 ( 0.000 -51.138 -0.000) 51.138 6.592 ( 0.000 -41.290 -0.000) 41.290 7.427 ( 0.000 19.713 0.000) 19.713 7.918 ( 0.000 25.712 0.000) 25.712 8.624 ( 0.000 -9.988 -0.000) 9.988 9.450 ( 0.000 -25.785 -0.000) 25.785 9.705 ( 0.000 -7.373 -0.000) 7.373 10.609 ( 0.000 5.002 0.000) 5.002 10.862 ( 0.000 3.022 0.000) 3.022 11.687 ( 0.000 19.673 0.000) 19.673 12.037 ( 0.000 1.373 0.000) 1.373 12.400 ( 0.000 10.164 0.000) 10.164 12.660 ( 0.000 16.065 0.000) 16.065 13.115 ( 0.000 12.676 0.000) 12.676 14.859 ( 0.000 2.501 0.000) 2.501 15.017 ( 0.000 -35.045 -0.000) 35.045 19.800 ( 0.000 40.577 0.000) 40.577 22.164 ( 0.000 20.784 0.000) 20.784 22.817 ( 0.000 -5.735 -0.000) 5.735 22.963 ( 0.000 -7.017 -0.000) 7.017 23.344 ( 0.000 -10.550 -0.000) 10.550 24.025 ( 0.000 -13.206 -0.000) 13.206 32.206 ( 0.000 -4.999 -0.000) 4.999 32.339 ( 0.000 1.913 0.000) 1.913 32.398 ( 0.000 0.304 0.000) 0.304 32.456 ( 0.000 0.412 0.000) 0.412 33.908 ( 0.000 -15.690 -0.000) 15.690 35.005 ( 0.000 -1.369 -0.000) 1.369 35.692 ( 0.000 3.465 0.000) 3.465 36.320 ( 0.000 6.428 0.000) 6.428 ======================= Grid point 218 (94/144) ======================= q-point: ( 0.17 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 10.759 -2.062 -0.000) 10.955 1.233 ( 11.121 -0.475 -0.000) 11.131 1.316 ( -2.739 -14.000 -0.000) 14.265 2.703 ( 46.839 -21.638 -0.000) 51.596 3.425 ( 10.240 -50.570 -0.000) 51.596 4.140 ( -0.117 -75.206 -0.000) 75.206 4.611 ( 11.693 -46.332 -0.000) 47.785 6.507 ( -24.130 -17.762 -0.000) 29.962 6.618 ( -33.945 1.859 0.000) 33.995 8.096 ( -43.564 -11.607 -0.000) 45.083 8.615 ( 39.302 16.944 0.000) 42.799 9.363 ( 3.290 -18.797 -0.000) 19.083 10.159 ( 19.830 -6.924 -0.000) 21.004 10.560 ( -4.252 3.282 0.000) 5.371 10.765 ( -3.747 1.285 0.000) 3.962 11.787 ( 8.899 19.170 0.000) 21.135 11.982 ( -5.425 0.884 0.000) 5.497 12.474 ( 6.332 11.645 0.000) 13.255 12.644 ( -2.500 14.664 0.000) 14.875 13.065 ( -4.790 13.090 0.000) 13.939 14.865 ( 1.016 -0.194 -0.000) 1.034 15.030 ( 0.758 -29.680 -0.000) 29.690 19.916 ( 11.862 37.892 0.000) 39.705 22.033 ( -17.828 17.985 0.000) 25.323 22.768 ( 2.784 -4.100 -0.000) 4.956 23.047 ( 5.669 -5.918 -0.000) 8.195 23.324 ( -1.796 -10.138 -0.000) 10.295 23.927 ( -8.333 -12.892 -0.000) 15.351 32.214 ( 0.742 -4.931 -0.000) 4.986 32.341 ( -0.211 0.018 0.000) 0.212 32.401 ( 0.304 0.047 0.000) 0.307 32.454 ( -0.199 0.421 0.000) 0.466 33.979 ( 6.836 -15.261 -0.000) 16.722 34.904 ( -9.140 -3.371 -0.000) 9.742 35.785 ( 8.140 5.103 0.000) 9.607 36.323 ( -0.514 8.820 0.000) 8.835 ======================= Grid point 219 (95/144) ======================= q-point: ( 0.33 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 6.728 -4.066 -0.000) 7.862 1.283 ( -1.718 -7.399 -0.000) 7.596 2.022 ( 55.994 20.067 0.000) 59.481 3.452 ( 12.103 -17.430 -0.000) 21.220 3.685 ( 22.545 -62.476 -0.000) 66.420 4.142 ( -0.221 -67.065 -0.000) 67.065 4.891 ( 12.801 -32.651 -0.000) 35.070 5.585 ( -37.198 10.649 0.000) 38.693 6.441 ( -5.984 -34.741 -0.000) 35.252 7.155 ( -46.410 -14.845 -0.000) 48.727 9.296 ( 27.944 3.187 0.000) 28.125 9.556 ( 15.626 -5.348 -0.000) 16.516 10.133 ( -14.992 -1.318 -0.000) 15.050 10.334 ( -16.467 3.307 0.000) 16.796 11.062 ( 24.599 -4.857 -0.000) 25.074 11.808 ( -11.318 -1.380 -0.000) 11.402 12.017 ( 12.754 18.324 0.000) 22.325 12.527 ( -9.370 13.731 0.000) 16.624 12.620 ( 7.863 12.372 0.000) 14.660 12.940 ( -7.363 13.251 0.000) 15.159 14.909 ( 3.256 -4.524 -0.000) 5.574 15.028 ( -1.268 -20.247 -0.000) 20.287 20.273 ( 23.607 31.621 0.000) 39.461 21.487 ( -32.734 16.848 0.000) 36.815 22.928 ( 9.625 -3.771 -0.000) 10.337 23.149 ( 1.937 -6.966 -0.000) 7.230 23.316 ( 4.052 -6.341 -0.000) 7.526 23.734 ( -10.755 -9.726 -0.000) 14.500 32.237 ( 1.554 -4.874 -0.000) 5.115 32.320 ( -1.866 -3.119 -0.000) 3.635 32.411 ( 0.708 0.069 0.000) 0.712 32.445 ( -0.710 0.228 0.000) 0.745 34.165 ( 11.391 -13.666 -0.000) 17.791 34.679 ( -12.758 -7.230 -0.000) 14.664 35.970 ( 9.647 7.628 0.000) 12.298 36.275 ( -4.435 10.510 0.000) 11.407 ======================= Grid point 220 (96/144) ======================= q-point: (-0.50 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -0.896 -4.815 0.000) 4.897 1.211 ( 0.896 -4.815 0.000) 4.897 3.106 ( -35.406 7.324 0.000) 36.156 3.106 ( 35.406 7.324 0.000) 36.156 4.015 ( -9.368 -60.402 -0.000) 61.124 4.015 ( 9.368 -60.402 -0.000) 61.124 5.179 ( -7.033 -19.702 -0.000) 20.919 5.179 ( 7.033 -19.702 -0.000) 20.919 6.473 ( -11.877 -24.213 -0.000) 26.969 6.473 ( 11.877 -24.213 -0.000) 26.969 9.743 ( -17.574 -6.476 -0.000) 18.729 9.743 ( 17.574 -6.476 -0.000) 18.729 9.969 ( -18.454 6.364 0.000) 19.521 9.969 ( 18.454 6.364 0.000) 19.521 11.508 ( -17.839 -3.674 -0.000) 18.213 11.508 ( 17.839 -3.674 -0.000) 18.213 12.288 ( -7.745 15.717 0.000) 17.521 12.288 ( 7.745 15.717 0.000) 17.521 12.782 ( -5.979 12.751 0.000) 14.083 12.782 ( 5.979 12.751 0.000) 14.083 14.979 ( -0.313 -11.204 0.000) 11.208 14.979 ( 0.313 -11.204 0.000) 11.208 20.832 ( -31.476 23.705 0.000) 39.404 20.832 ( 31.476 23.705 0.000) 39.404 23.088 ( -3.421 -7.548 -0.000) 8.288 23.088 ( 3.421 -7.548 -0.000) 8.288 23.504 ( -5.297 -5.422 0.000) 7.581 23.504 ( 5.297 -5.422 0.000) 7.581 32.276 ( -0.688 -4.611 0.000) 4.662 32.276 ( 0.688 -4.611 0.000) 4.662 32.428 ( -0.257 0.168 0.000) 0.307 32.428 ( 0.257 0.168 0.000) 0.307 34.415 ( -12.866 -10.887 -0.000) 16.854 34.415 ( 12.866 -10.887 -0.000) 16.854 36.149 ( -7.339 9.649 0.000) 12.123 36.149 ( 7.339 9.649 0.000) 12.123 ======================= Grid point 252 (97/144) ======================= q-point: ( 0.00 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 0.000 -0.000 -0.687) 0.687 4.217 ( 0.000 0.000 21.777) 21.777 4.248 ( 0.000 0.000 34.483) 34.483 5.202 ( 0.000 -0.000 -7.324) 7.324 5.425 ( 0.000 0.000 26.883) 26.883 5.644 ( 0.000 0.000 31.002) 31.002 6.665 ( 0.000 -0.000 -23.150) 23.150 7.041 ( 0.000 0.000 32.826) 32.826 7.084 ( 0.000 0.000 12.412) 12.412 7.619 ( 0.000 -0.000 -34.918) 34.918 8.465 ( 0.000 0.000 7.141) 7.141 8.803 ( 0.000 -0.000 -32.499) 32.499 9.445 ( 0.000 0.000 25.920) 25.920 9.876 ( 0.000 -0.000 -3.622) 3.622 10.543 ( 0.000 0.000 14.891) 14.891 10.741 ( 0.000 0.000 1.955) 1.955 11.934 ( 0.000 -0.000 -2.908) 2.908 12.064 ( 0.000 -0.000 -4.798) 4.798 12.389 ( 0.000 -0.000 -16.922) 16.922 12.849 ( 0.000 0.000 3.420) 3.420 15.836 ( 0.000 0.000 20.930) 20.930 17.480 ( 0.000 -0.000 -41.760) 41.760 18.186 ( 0.000 0.000 40.545) 40.545 19.577 ( 0.000 -0.000 -47.322) 47.322 23.392 ( 0.000 0.000 10.737) 10.737 23.417 ( 0.000 0.000 12.508) 12.508 23.515 ( 0.000 -0.000 -11.081) 11.081 24.161 ( 0.000 0.000 12.395) 12.395 32.127 ( 0.000 0.000 2.894) 2.894 32.197 ( 0.000 0.000 4.299) 4.299 32.285 ( 0.000 -0.000 -2.466) 2.466 32.381 ( 0.000 0.000 0.220) 0.220 34.890 ( 0.000 0.000 10.697) 10.697 35.510 ( 0.000 0.000 4.478) 4.478 35.568 ( 0.000 -0.000 -7.697) 7.697 35.840 ( 0.000 -0.000 -10.865) 10.865 ======================= Grid point 253 (98/144) ======================= q-point: ( 0.17 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 31.130 -0.000 -3.850) 31.367 3.103 ( -57.892 0.000 22.671) 62.173 4.537 ( -40.763 -0.000 -9.506) 41.857 4.990 ( 19.308 0.000 32.749) 38.017 5.730 ( 12.192 0.000 31.259) 33.553 5.789 ( 15.113 0.000 30.460) 34.004 6.513 ( -7.622 0.000 8.914) 11.728 7.141 ( 8.582 0.000 22.797) 24.359 7.392 ( 18.975 -0.000 -20.218) 27.728 7.477 ( -14.975 -0.000 -7.511) 16.753 8.201 ( -15.081 -0.000 -17.716) 23.266 8.904 ( 6.752 -0.000 -18.572) 19.761 9.474 ( 5.995 0.000 13.607) 14.869 10.210 ( 23.449 0.000 4.432) 23.864 10.577 ( 5.728 0.000 10.690) 12.128 10.710 ( -2.771 0.000 3.863) 4.754 11.725 ( -17.658 -0.000 -6.123) 18.689 12.029 ( -3.979 -0.000 -3.543) 5.328 12.503 ( 7.858 -0.000 -13.452) 15.579 12.807 ( -3.771 0.000 2.185) 4.359 15.821 ( -0.665 0.000 17.705) 17.717 17.060 ( -28.991 -0.000 -16.796) 33.504 18.633 ( 31.296 0.000 13.662) 34.148 19.634 ( 4.779 -0.000 -43.850) 44.110 23.327 ( -5.946 0.000 10.594) 12.148 23.353 ( -6.064 0.000 0.606) 6.095 23.558 ( 4.304 0.000 2.335) 4.896 24.115 ( -4.442 0.000 12.778) 13.528 32.131 ( 0.417 0.000 2.868) 2.898 32.191 ( -0.571 0.000 3.976) 4.017 32.292 ( 0.742 -0.000 -2.002) 2.135 32.381 ( -0.070 0.000 0.097) 0.120 34.927 ( 3.735 0.000 10.388) 11.040 35.450 ( -4.618 0.000 4.242) 6.271 35.615 ( 3.334 -0.000 -7.376) 8.094 35.832 ( -0.881 -0.000 -10.915) 10.951 ======================= Grid point 254 (99/144) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -38.850 0.000 10.023) 40.122 2.253 ( -11.501 -0.000 -19.188) 22.371 4.093 ( 7.941 0.000 4.835) 9.297 5.046 ( -10.378 0.000 30.012) 31.756 5.918 ( 8.331 0.000 35.153) 36.127 6.080 ( 9.302 0.000 35.007) 36.221 6.416 ( -2.494 0.000 22.066) 22.206 6.843 ( -30.098 0.000 4.652) 30.455 7.558 ( 16.363 0.000 18.312) 24.557 7.660 ( 7.705 -0.000 -33.238) 34.119 8.118 ( 7.563 -0.000 -32.203) 33.079 8.854 ( -12.854 0.000 8.685) 15.513 9.834 ( 28.017 -0.000 -14.181) 31.402 10.431 ( 1.158 0.000 10.842) 10.904 10.657 ( -1.535 0.000 9.023) 9.153 10.924 ( 19.963 0.000 0.823) 19.980 11.321 ( -17.803 -0.000 -5.396) 18.603 11.875 ( -12.281 -0.000 -0.067) 12.281 12.629 ( 4.314 -0.000 -9.928) 10.825 12.729 ( -3.299 -0.000 -1.610) 3.671 15.861 ( 5.904 0.000 10.012) 11.623 16.507 ( -25.241 -0.000 -6.014) 25.948 19.225 ( 25.972 -0.000 -2.929) 26.137 19.710 ( 1.101 -0.000 -33.972) 33.990 23.193 ( -6.189 0.000 8.716) 10.689 23.212 ( -6.836 -0.000 -1.800) 7.069 23.677 ( 7.320 0.000 9.654) 12.115 23.995 ( -7.310 0.000 13.102) 15.003 32.143 ( 0.729 0.000 2.868) 2.959 32.176 ( -0.840 0.000 3.432) 3.533 32.314 ( 1.431 -0.000 -1.164) 1.845 32.373 ( -0.896 -0.000 -0.160) 0.911 35.034 ( 6.791 0.000 9.463) 11.647 35.336 ( -6.830 0.000 6.234) 9.247 35.686 ( 3.607 -0.000 -9.071) 9.762 35.804 ( -1.958 -0.000 -10.833) 11.009 ======================= Grid point 255 (100/144) ======================= q-point: (-0.50 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -3.350 0.000 -14.802) 15.176 1.817 ( 3.350 0.000 -14.802) 15.176 4.615 ( -16.854 0.000 19.510) 25.782 4.615 ( 16.854 0.000 19.510) 25.782 6.094 ( -0.602 0.000 36.378) 36.383 6.094 ( 0.602 0.000 36.378) 36.383 6.434 ( -0.716 0.000 18.504) 18.518 6.434 ( 0.716 0.000 18.504) 18.518 7.725 ( -0.199 -0.000 -24.943) 24.944 7.725 ( 0.199 -0.000 -24.943) 24.944 8.472 ( -22.835 0.000 2.434) 22.964 8.472 ( 22.835 0.000 2.434) 22.964 10.340 ( -10.769 0.000 -8.128) 13.492 10.340 ( 10.769 0.000 -8.128) 13.492 10.748 ( -15.433 0.000 5.212) 16.289 10.748 ( 15.433 0.000 5.212) 16.289 11.532 ( -18.068 0.000 2.659) 18.262 11.532 ( 18.068 0.000 2.659) 18.262 12.683 ( -1.445 -0.000 -6.088) 6.257 12.683 ( 1.445 -0.000 -6.088) 6.257 16.084 ( -16.268 0.000 1.568) 16.343 16.084 ( 16.268 0.000 1.568) 16.343 19.612 ( -9.998 -0.000 -18.982) 21.454 19.612 ( 9.998 -0.000 -18.982) 21.454 23.129 ( -0.056 0.000 3.326) 3.327 23.129 ( 0.056 0.000 3.326) 3.327 23.836 ( -6.606 0.000 12.296) 13.958 23.836 ( 6.606 0.000 12.296) 13.958 32.159 ( -0.273 0.000 3.036) 3.048 32.159 ( 0.273 0.000 3.036) 3.048 32.346 ( -1.616 -0.000 -0.526) 1.700 32.346 ( 1.616 -0.000 -0.526) 1.700 35.185 ( -7.944 0.000 8.025) 11.292 35.185 ( 7.944 0.000 8.025) 11.292 35.754 ( -2.837 -0.000 -10.265) 10.650 35.754 ( 2.837 -0.000 -10.265) 10.650 ======================= Grid point 259 (101/144) ======================= q-point: ( 0.00 -0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 0.000 -5.499 3.531) 6.535 4.461 ( 0.000 -22.812 18.689) 29.490 4.628 ( 0.000 -26.675 1.676) 26.728 4.999 ( 0.000 2.106 11.265) 11.460 5.573 ( 0.000 7.903 -22.353) 23.709 5.837 ( 0.000 10.075 -28.332) 30.070 6.331 ( 0.000 -6.640 -4.135) 7.822 6.892 ( 0.000 -36.198 1.764) 36.241 7.570 ( 0.000 -3.606 15.706) 16.115 7.792 ( 0.000 42.271 21.948) 47.629 8.346 ( 0.000 -0.648 -0.423) 0.774 8.707 ( 0.000 17.067 4.552) 17.664 9.771 ( 0.000 -10.152 12.666) 16.232 9.973 ( 0.000 10.397 8.161) 13.217 10.656 ( 0.000 -10.124 5.850) 11.692 10.892 ( 0.000 11.999 5.294) 13.115 11.837 ( 0.000 -18.105 -9.085) 20.257 11.841 ( 0.000 -3.226 -5.867) 6.695 12.207 ( 0.000 16.595 -12.150) 20.568 12.915 ( 0.000 2.152 2.174) 3.059 16.081 ( 0.000 -28.953 10.946) 30.953 16.903 ( 0.000 28.976 -26.048) 38.963 18.413 ( 0.000 -37.999 -12.605) 40.035 19.220 ( 0.000 37.479 6.014) 37.958 23.307 ( 0.000 -5.589 -6.842) 8.834 23.587 ( 0.000 -3.539 7.616) 8.398 23.592 ( 0.000 3.367 8.101) 8.773 24.347 ( 0.000 -1.930 8.111) 8.338 32.178 ( 0.000 0.128 2.455) 2.459 32.255 ( 0.000 0.055 -0.665) 0.667 32.284 ( 0.000 0.497 4.667) 4.694 32.390 ( 0.000 0.397 0.472) 0.616 35.050 ( 0.000 -0.778 6.361) 6.409 35.410 ( 0.000 -0.456 -8.260) 8.272 35.567 ( 0.000 1.731 1.298) 2.164 35.670 ( 0.000 -1.155 -7.223) 7.315 ======================= Grid point 260 (102/144) ======================= q-point: ( 0.17 -0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 20.074 -5.402 -3.683) 21.112 3.449 ( -56.894 -7.644 16.990) 59.866 4.288 ( -35.609 -1.132 -10.294) 37.084 5.375 ( 15.423 -16.737 13.879) 26.657 5.684 ( 12.777 -32.765 -4.018) 35.396 6.177 ( 14.606 1.714 -30.703) 34.043 6.430 ( 10.713 4.878 -7.205) 13.801 6.986 ( 10.490 -15.790 11.658) 22.254 7.584 ( 0.980 9.748 13.911) 17.015 7.780 ( -5.391 21.248 13.018) 25.495 8.166 ( -20.429 5.930 15.671) 26.421 8.664 ( 13.845 15.855 -8.277) 22.618 9.754 ( -6.187 -4.044 14.689) 16.443 10.303 ( 25.836 2.386 3.418) 26.170 10.668 ( 2.372 -8.149 6.278) 10.557 10.876 ( -1.111 10.787 5.201) 12.027 11.547 ( -17.249 -6.799 -8.791) 20.519 11.957 ( 1.452 -5.485 -2.344) 6.139 12.297 ( 7.343 8.151 -12.433) 16.581 12.851 ( -6.054 1.802 1.214) 6.432 16.012 ( -5.766 -24.861 8.378) 26.861 16.670 ( -19.287 16.945 -22.424) 34.087 18.663 ( 20.945 -24.771 -14.082) 35.364 19.314 ( 8.109 32.827 5.165) 34.206 23.240 ( -5.378 -4.610 -5.269) 8.828 23.513 ( -6.664 1.616 8.150) 10.651 23.670 ( 6.460 -2.770 6.958) 9.891 24.302 ( -4.342 -2.408 8.204) 9.590 32.180 ( 0.252 0.066 2.329) 2.343 32.250 ( -0.557 0.434 0.952) 1.185 32.293 ( 0.978 0.249 3.118) 3.277 32.390 ( -0.053 0.378 0.604) 0.715 35.084 ( 3.403 -0.408 6.167) 7.056 35.424 ( 1.076 -0.235 -7.272) 7.355 35.548 ( -1.780 1.919 0.561) 2.677 35.655 ( -1.384 -1.836 -7.344) 7.695 ======================= Grid point 261 (103/144) ======================= q-point: ( 0.33 -0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -28.131 -17.126 -14.315) 35.911 2.412 ( -44.459 19.801 6.432) 49.092 4.113 ( 22.389 -8.995 4.525) 24.549 5.338 ( -13.230 -8.702 1.442) 15.900 5.976 ( 11.055 -49.563 14.247) 52.742 6.294 ( -1.087 -25.232 -10.793) 27.465 6.605 ( 6.150 -1.542 -26.671) 27.414 7.084 ( -14.498 13.077 11.535) 22.677 7.482 ( -1.714 18.136 -0.803) 18.234 7.607 ( -1.140 30.630 18.789) 35.952 8.210 ( 20.328 8.120 24.094) 32.553 8.983 ( 5.432 2.770 0.888) 6.162 9.677 ( 7.082 -0.469 -1.331) 7.221 10.483 ( -8.341 -1.252 -4.409) 9.518 10.796 ( 1.125 -1.526 2.807) 3.388 10.984 ( 9.645 4.108 5.595) 11.883 11.265 ( -0.770 -3.066 1.500) 3.499 11.908 ( -6.881 1.006 2.878) 7.526 12.441 ( 6.504 0.361 -10.339) 12.220 12.702 ( -7.961 0.670 -2.222) 8.293 15.919 ( -1.764 -16.274 1.384) 16.427 16.273 ( -18.387 3.281 -15.918) 24.540 19.099 ( 20.266 -7.674 -12.619) 25.077 19.461 ( 4.410 22.063 0.811) 22.515 23.149 ( -2.477 -3.221 -1.773) 4.434 23.345 ( -9.236 1.410 6.558) 11.415 23.826 ( 8.752 -4.002 7.541) 12.226 24.182 ( -7.460 -3.146 8.314) 11.605 32.188 ( 0.497 -0.238 2.106) 2.176 32.235 ( -0.905 0.998 1.966) 2.383 32.321 ( 1.780 0.147 2.075) 2.737 32.383 ( -0.791 0.320 1.051) 1.354 35.180 ( 5.912 0.547 5.360) 7.999 35.414 ( -3.313 1.837 -0.195) 3.794 35.528 ( 0.903 -0.390 -5.584) 5.670 35.619 ( -2.179 -2.366 -7.641) 8.291 ======================= Grid point 262 (104/144) ======================= q-point: (-0.50 -0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 0.000 -22.316 -5.546) 22.995 1.886 ( -0.000 28.399 -10.090) 30.138 4.672 ( -0.000 -22.184 13.059) 25.742 4.962 ( 0.000 7.241 -0.435) 7.254 6.154 ( 0.000 -55.828 30.840) 63.780 6.174 ( -0.000 -34.822 -12.624) 37.040 6.717 ( 0.000 12.760 -37.994) 40.079 6.806 ( -0.000 -5.704 -6.787) 8.866 7.553 ( -0.000 41.807 19.801) 46.259 7.564 ( 0.000 34.098 17.434) 38.296 8.701 ( -0.000 -1.515 17.161) 17.228 8.726 ( 0.000 0.033 14.724) 14.724 10.060 ( 0.000 -3.049 -14.877) 15.186 10.148 ( -0.000 5.139 -14.563) 15.443 10.802 ( 0.000 -7.280 3.085) 7.907 10.954 ( 0.000 7.701 8.269) 11.299 11.516 ( 0.000 -9.863 4.942) 11.032 11.728 ( 0.000 10.386 8.648) 13.515 12.554 ( -0.000 -1.760 -6.864) 7.086 12.569 ( 0.000 -0.153 -6.841) 6.843 15.971 ( -0.000 -8.897 -8.034) 11.987 16.008 ( 0.000 -4.862 -7.300) 8.771 19.370 ( 0.000 3.963 -6.638) 7.732 19.455 ( 0.000 11.779 -6.600) 13.503 23.155 ( 0.000 -3.170 3.122) 4.450 23.210 ( -0.000 1.869 2.854) 3.411 23.983 ( 0.000 -6.664 8.328) 10.666 24.037 ( 0.000 -1.255 7.966) 8.064 32.196 ( 0.000 -0.865 2.036) 2.213 32.222 ( 0.000 1.689 2.008) 2.624 32.357 ( 0.000 0.154 1.547) 1.555 32.358 ( -0.000 0.299 1.727) 1.753 35.301 ( -0.000 1.101 3.104) 3.294 35.314 ( 0.000 2.393 4.420) 5.026 35.567 ( 0.000 -2.140 -7.330) 7.636 35.573 ( 0.000 -1.639 -8.365) 8.524 ======================= Grid point 266 (105/144) ======================= q-point: ( 0.00 -0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 0.000 -8.371 7.607) 11.311 4.089 ( 0.000 -33.448 -17.360) 37.685 4.333 ( 0.000 -31.371 -9.770) 32.857 4.780 ( 0.000 -2.163 -60.695) 60.733 4.991 ( 0.000 2.856 -33.365) 33.487 5.595 ( 0.000 9.920 16.648) 19.380 6.312 ( 0.000 0.712 1.565) 1.719 6.784 ( 0.000 -35.130 20.617) 40.733 7.443 ( 0.000 -28.465 0.114) 28.465 8.608 ( 0.000 1.058 13.889) 13.929 8.669 ( 0.000 32.790 26.168) 41.952 9.148 ( 0.000 30.825 16.849) 35.130 9.725 ( 0.000 -20.996 -1.560) 21.054 10.248 ( 0.000 15.268 7.762) 17.128 10.639 ( 0.000 -10.035 4.267) 10.905 11.085 ( 0.000 10.026 2.394) 10.308 11.529 ( 0.000 -6.317 -7.705) 9.964 11.658 ( 0.000 -5.239 -8.380) 9.883 12.208 ( 0.000 14.880 -6.725) 16.329 12.956 ( 0.000 3.623 -1.362) 3.870 15.603 ( 0.000 -23.845 -20.554) 31.481 17.208 ( 0.000 29.437 14.611) 32.864 17.629 ( 0.000 -31.460 -26.436) 41.092 19.909 ( 0.000 29.188 24.603) 38.175 23.153 ( 0.000 -5.918 -3.680) 6.969 23.607 ( 0.000 -6.384 0.196) 6.387 23.756 ( 0.000 3.098 6.157) 6.892 24.393 ( 0.000 -4.678 0.665) 4.725 32.213 ( 0.000 -0.131 1.548) 1.553 32.263 ( 0.000 0.564 0.986) 1.136 32.366 ( 0.000 0.407 3.691) 3.714 32.403 ( 0.000 0.684 0.220) 0.718 35.015 ( 0.000 -10.303 -4.523) 11.252 35.357 ( 0.000 6.048 0.033) 6.048 35.505 ( 0.000 -4.469 -5.915) 7.413 35.659 ( 0.000 5.861 2.811) 6.500 ======================= Grid point 267 (106/144) ======================= q-point: ( 0.17 -0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 1.800 -8.665 -4.565) 9.958 3.446 ( -28.540 -22.512 0.767) 36.358 4.277 ( -40.308 11.611 -0.544) 41.951 4.742 ( 0.057 -4.652 -64.311) 64.479 4.963 ( 16.724 -17.403 -42.240) 48.650 5.797 ( 15.684 -20.631 5.381) 26.469 6.324 ( -1.274 -37.163 19.151) 41.827 7.199 ( 28.843 -11.723 12.469) 33.538 7.596 ( 12.436 -5.695 -1.682) 13.781 8.111 ( -28.564 -1.827 11.543) 30.863 8.856 ( 7.788 33.268 24.605) 42.105 9.044 ( -5.791 29.559 17.525) 34.848 9.778 ( -1.407 -18.254 -1.071) 18.339 10.420 ( 10.711 9.011 4.345) 14.656 10.664 ( 3.993 -8.045 2.507) 9.325 11.060 ( -0.478 10.238 2.649) 10.586 11.352 ( -10.240 -2.677 -4.709) 11.584 11.808 ( 8.675 -6.712 -6.337) 12.668 12.241 ( 2.952 13.200 -6.606) 15.053 12.874 ( -8.039 3.210 -1.929) 8.869 15.576 ( -2.042 -21.857 -18.915) 28.977 16.670 ( -32.040 4.391 -2.382) 32.427 18.217 ( 37.018 -5.651 -8.581) 38.417 19.924 ( 0.463 27.435 21.948) 35.137 23.112 ( -2.939 -5.468 -2.949) 6.872 23.624 ( -2.642 -4.143 3.024) 5.769 23.727 ( 1.113 -0.073 3.132) 3.325 24.341 ( -4.935 -5.190 0.358) 7.171 32.214 ( 0.036 -0.118 1.523) 1.528 32.270 ( 0.539 0.822 1.106) 1.479 32.364 ( -0.010 0.287 3.462) 3.474 32.407 ( 0.307 0.723 0.453) 0.907 35.051 ( 3.444 -9.835 -4.700) 11.431 35.373 ( 1.368 5.078 -0.285) 5.267 35.484 ( -1.821 -3.773 -5.474) 6.893 35.644 ( -1.465 5.858 3.027) 6.755 ======================= Grid point 268 (107/144) ======================= q-point: ( 0.33 -0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -22.269 -8.398 -13.706) 27.465 2.744 ( -49.569 19.082 7.452) 53.635 4.050 ( 22.341 -5.573 -7.690) 24.276 4.720 ( -2.926 -3.290 -59.170) 59.334 5.218 ( 11.217 -20.534 -39.878) 46.236 6.072 ( 5.911 -41.904 16.326) 45.359 6.268 ( -1.724 -40.377 18.444) 44.423 7.068 ( -35.380 -12.871 1.346) 37.673 7.893 ( 24.760 -0.198 8.265) 26.104 8.175 ( 17.690 20.183 13.514) 30.049 8.925 ( -2.665 23.571 23.152) 33.147 9.048 ( 6.989 17.256 5.898) 19.530 9.697 ( -2.161 -2.942 2.384) 4.360 10.368 ( -14.406 5.198 -6.143) 16.501 10.723 ( -0.444 -7.223 -2.455) 7.641 11.132 ( -1.412 5.507 0.102) 5.686 11.321 ( 14.408 -0.790 9.006) 17.009 11.955 ( 5.553 -1.077 -0.263) 5.662 12.307 ( 3.565 8.123 -7.168) 11.405 12.655 ( -13.000 1.853 -4.528) 13.891 15.565 ( 2.073 -16.878 -15.203) 22.810 16.100 ( -24.002 -2.699 -7.096) 25.174 18.934 ( 33.531 3.596 -1.333) 33.750 19.858 ( -8.780 21.869 14.722) 27.787 23.092 ( 2.099 -4.089 -0.378) 4.611 23.456 ( -11.332 -0.058 4.793) 12.304 23.844 ( 8.043 -6.244 0.340) 10.188 24.211 ( -7.699 -5.784 -0.050) 9.629 32.216 ( 0.187 -0.251 1.490) 1.522 32.274 ( -0.289 1.437 1.318) 1.971 32.374 ( 1.065 0.193 2.820) 3.021 32.410 ( -0.108 0.695 1.100) 1.306 35.142 ( 5.430 -8.637 -5.268) 11.482 35.370 ( -2.980 -3.173 -4.569) 6.311 35.471 ( 1.827 3.641 -0.361) 4.090 35.601 ( -2.804 5.841 3.062) 7.166 ======================= Grid point 269 (108/144) ======================= q-point: (-0.50 -0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 0.000 0.082 7.954) 7.954 2.026 ( -0.000 29.729 -7.753) 30.723 4.469 ( -0.000 -8.986 -29.966) 31.285 4.613 ( 0.000 0.313 -45.278) 45.279 5.427 ( 0.000 -32.280 -11.672) 34.325 5.948 ( 0.000 -31.665 0.736) 31.673 6.345 ( 0.000 -24.355 10.546) 26.540 6.618 ( -0.000 -32.940 10.655) 34.621 8.254 ( 0.000 18.023 12.852) 22.136 8.305 ( -0.000 13.947 13.613) 19.489 8.902 ( 0.000 3.370 7.078) 7.839 9.092 ( 0.000 16.825 20.979) 26.892 9.802 ( 0.000 3.258 -11.499) 11.952 10.070 ( -0.000 13.902 -2.603) 14.143 10.716 ( 0.000 -8.984 -1.477) 9.105 11.097 ( 0.000 2.640 -0.096) 2.642 11.541 ( 0.000 -5.368 8.279) 9.867 12.011 ( 0.000 10.383 9.156) 13.844 12.400 ( -0.000 0.102 -9.126) 9.127 12.435 ( 0.000 2.257 -8.873) 9.155 15.656 ( -0.000 -13.328 -12.091) 17.995 15.780 ( 0.000 -5.900 -9.870) 11.499 19.451 ( 0.000 10.076 6.630) 12.061 19.598 ( -0.000 15.530 5.539) 16.489 23.182 ( 0.000 -2.999 3.467) 4.585 23.266 ( -0.000 -0.063 2.197) 2.198 23.979 ( 0.000 -9.375 0.283) 9.380 24.081 ( 0.000 -3.943 -0.275) 3.953 32.219 ( 0.000 -0.491 1.562) 1.637 32.268 ( 0.000 1.825 1.271) 2.224 32.394 ( 0.000 0.240 1.870) 1.885 32.402 ( -0.000 0.667 2.112) 2.215 35.232 ( 0.000 -7.312 -6.153) 9.556 35.301 ( -0.000 -6.554 -5.276) 8.414 35.523 ( 0.000 6.527 1.977) 6.820 35.545 ( 0.000 5.164 2.449) 5.715 ======================= Grid point 273 (109/144) ======================= q-point: ( 0.00 -0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 0.000 -8.909 6.406) 10.973 3.222 ( 0.000 -16.953 -59.122) 61.504 3.421 ( 0.000 -10.690 -56.657) 57.656 3.660 ( 0.000 -19.732 -35.750) 40.834 4.639 ( 0.000 -24.498 0.319) 24.500 5.996 ( 0.000 -14.776 25.086) 29.114 6.359 ( 0.000 1.183 1.233) 1.709 6.841 ( 0.000 -14.980 14.813) 21.067 7.133 ( 0.000 -31.199 0.157) 31.199 8.785 ( 0.000 -5.408 9.482) 10.916 9.042 ( 0.000 -30.112 -8.250) 31.222 9.506 ( 0.000 0.693 11.780) 11.800 9.761 ( 0.000 26.132 14.705) 29.985 10.596 ( 0.000 -12.871 2.953) 13.205 10.599 ( 0.000 29.784 4.493) 30.121 11.080 ( 0.000 -5.550 -7.552) 9.372 11.474 ( 0.000 10.045 -0.551) 10.060 11.568 ( 0.000 8.362 0.565) 8.381 12.254 ( 0.000 12.848 -4.177) 13.510 12.931 ( 0.000 5.116 -6.264) 8.088 15.076 ( 0.000 -9.516 -16.721) 19.239 16.883 ( 0.000 -32.643 -19.356) 37.950 17.844 ( 0.000 26.140 22.532) 34.511 20.639 ( 0.000 26.899 23.485) 35.708 23.051 ( 0.000 -5.894 -0.960) 5.972 23.475 ( 0.000 -7.547 -6.254) 9.802 23.850 ( 0.000 1.715 -0.200) 1.726 24.300 ( 0.000 -6.167 -2.848) 6.792 32.238 ( 0.000 0.131 1.259) 1.266 32.292 ( 0.000 0.365 1.391) 1.438 32.407 ( 0.000 0.695 -0.593) 0.914 32.420 ( 0.000 0.199 1.913) 1.923 34.768 ( 0.000 -14.957 -6.753) 16.411 35.338 ( 0.000 -6.777 -5.766) 8.898 35.452 ( 0.000 6.639 1.962) 6.923 35.817 ( 0.000 8.692 5.840) 10.471 ======================= Grid point 274 (110/144) ======================= q-point: ( 0.17 -0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -18.368 -10.704 -7.485) 22.538 3.046 ( -0.828 -16.079 -30.466) 34.458 3.395 ( 0.920 -2.321 -74.425) 74.466 3.821 ( 0.781 -10.991 -38.901) 40.432 4.572 ( -14.420 -4.747 7.697) 17.021 5.743 ( -0.357 -14.243 8.091) 16.384 6.294 ( -2.914 -50.814 25.348) 56.860 7.007 ( 7.372 -39.744 -0.336) 40.423 7.690 ( 39.871 15.893 2.959) 43.024 8.245 ( -33.228 -7.434 8.827) 35.175 9.057 ( -7.871 -31.912 -12.606) 35.203 9.638 ( 8.148 13.578 16.482) 22.857 9.804 ( 3.263 23.109 14.378) 27.411 10.523 ( -2.001 -3.084 1.041) 3.821 10.675 ( -2.645 6.163 -0.143) 6.708 11.142 ( 9.858 6.657 -2.602) 12.176 11.396 ( -4.302 7.981 6.817) 11.343 11.668 ( 7.168 5.884 -5.728) 10.900 12.287 ( 2.805 12.580 -3.984) 13.490 12.842 ( -8.864 5.024 -6.117) 11.884 15.089 ( 1.814 -9.388 -15.127) 17.896 16.475 ( -29.320 -18.021 -9.360) 35.666 18.325 ( 36.680 12.977 13.042) 41.036 20.603 ( -4.824 25.866 21.903) 34.235 23.020 ( -1.698 -6.016 -0.864) 6.311 23.521 ( 3.600 -7.955 -5.487) 10.312 23.787 ( -5.715 1.305 0.036) 5.863 24.232 ( -6.251 -6.405 -4.060) 9.828 32.239 ( 0.131 0.162 1.400) 1.415 32.303 ( 0.937 0.761 1.401) 1.850 32.407 ( -0.034 0.299 0.444) 0.536 32.421 ( 0.266 0.545 0.867) 1.058 34.809 ( 3.959 -14.436 -6.589) 16.355 35.293 ( -3.861 -7.468 -5.246) 9.910 35.494 ( 3.536 6.895 1.857) 7.968 35.802 ( -1.547 8.861 5.507) 10.547 ======================= Grid point 275 (111/144) ======================= q-point: ( 0.33 -0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 2.144 6.284 -9.378) 11.490 2.986 ( -31.653 11.033 -12.981) 35.947 3.409 ( -8.146 3.626 -54.353) 55.079 3.467 ( -3.478 1.641 -66.237) 66.349 4.675 ( 29.985 -16.092 2.324) 34.109 5.929 ( 5.882 -44.520 16.867) 47.970 6.233 ( -1.523 -52.572 26.833) 59.043 6.902 ( -26.462 -23.237 -1.406) 35.245 7.782 ( 7.919 -19.581 -2.608) 21.282 8.481 ( 15.603 3.597 1.042) 16.046 8.874 ( 2.936 -12.468 -8.937) 15.619 9.713 ( -2.896 17.880 11.358) 21.380 9.839 ( 0.822 17.932 12.899) 22.105 10.387 ( -11.940 5.700 -2.090) 13.395 10.639 ( 3.049 -3.097 1.675) 4.657 11.186 ( -6.565 5.128 5.998) 10.265 11.553 ( 15.728 11.331 8.775) 21.278 11.842 ( 11.991 2.177 -10.672) 16.199 12.340 ( 1.956 12.147 -4.281) 13.027 12.586 ( -16.458 4.847 -5.929) 18.153 15.176 ( 7.447 -9.746 -10.896) 16.406 15.914 ( -25.208 -10.102 -5.807) 27.770 19.100 ( 39.104 9.795 10.425) 41.638 20.378 ( -18.908 20.973 17.133) 33.029 23.051 ( 5.886 -4.688 0.811) 7.568 23.499 ( -9.073 -3.724 1.110) 9.870 23.732 ( 3.597 -4.856 -5.185) 7.962 24.081 ( -8.160 -6.222 -6.235) 12.007 32.244 ( 0.295 0.099 1.730) 1.758 32.315 ( -0.022 1.563 1.389) 2.091 32.410 ( 0.417 -0.037 0.845) 0.943 32.430 ( 0.480 0.787 0.289) 0.966 34.915 ( 6.328 -13.202 -6.042) 15.838 35.196 ( -5.716 -9.680 -5.241) 12.403 35.578 ( 4.691 8.074 2.681) 9.715 35.753 ( -3.303 9.066 4.661) 10.716 ======================= Grid point 276 (112/144) ======================= q-point: (-0.50 -0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 0.000 20.613 13.553) 24.669 2.193 ( -0.000 30.316 -9.339) 31.721 3.371 ( 0.000 -2.060 -71.906) 71.936 3.494 ( 0.000 0.439 -72.349) 72.351 5.283 ( -0.000 -32.301 22.249) 39.222 5.736 ( 0.000 -27.941 7.361) 28.894 6.330 ( 0.000 -37.314 19.681) 42.186 6.447 ( -0.000 -41.202 11.262) 42.714 8.134 ( 0.000 -24.941 -13.437) 28.330 8.262 ( -0.000 -24.221 -7.463) 25.344 9.233 ( 0.000 20.971 9.416) 22.987 9.532 ( -0.000 14.646 0.525) 14.656 9.860 ( 0.000 12.252 8.039) 14.654 10.240 ( 0.000 9.744 0.758) 9.773 10.697 ( 0.000 4.012 7.835) 8.802 11.093 ( 0.000 -0.940 5.046) 5.132 11.707 ( -0.000 9.261 6.309) 11.205 12.164 ( 0.000 3.757 -4.716) 6.030 12.235 ( -0.000 3.895 -10.631) 11.323 12.361 ( 0.000 12.430 -3.800) 12.998 15.335 ( -0.000 -13.586 -6.518) 15.069 15.572 ( 0.000 -4.101 -7.314) 8.386 19.766 ( 0.000 12.763 13.774) 18.778 19.916 ( -0.000 14.747 10.868) 18.319 23.221 ( 0.000 -2.408 3.870) 4.558 23.285 ( -0.000 -2.486 1.268) 2.791 23.818 ( 0.000 -9.736 -6.164) 11.523 23.961 ( -0.000 -4.085 -7.550) 8.584 32.248 ( 0.000 -0.089 2.037) 2.039 32.311 ( 0.000 1.995 1.279) 2.369 32.417 ( 0.000 0.014 0.353) 0.353 32.436 ( 0.000 0.769 0.585) 0.966 35.023 ( 0.000 -11.774 -5.110) 12.835 35.096 ( -0.000 -11.550 -5.882) 12.962 35.671 ( 0.000 9.724 3.769) 10.429 35.675 ( 0.000 8.014 3.568) 8.773 ======================= Grid point 280 (113/144) ======================= q-point: ( 0.00 -0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 0.000 -4.762 -10.901) 11.896 1.815 ( 0.000 -1.412 -77.494) 77.507 2.384 ( 0.000 -5.028 -39.857) 40.173 2.988 ( 0.000 -36.324 -11.378) 38.065 4.392 ( 0.000 -31.827 3.795) 32.053 6.082 ( 0.000 -52.162 20.794) 56.154 6.236 ( 0.000 -36.925 0.462) 36.928 6.916 ( 0.000 -0.149 -1.882) 1.888 7.046 ( 0.000 18.046 5.574) 18.888 8.284 ( 0.000 -51.626 -17.022) 54.360 8.856 ( 0.000 -7.979 5.855) 9.897 9.772 ( 0.000 -1.230 10.676) 10.747 10.153 ( 0.000 10.534 5.738) 11.995 10.429 ( 0.000 -18.112 -2.102) 18.233 10.884 ( 0.000 -3.443 -4.393) 5.582 10.937 ( 0.000 31.604 -2.924) 31.739 11.712 ( 0.000 22.178 7.247) 23.332 11.761 ( 0.000 13.205 4.975) 14.111 12.308 ( 0.000 11.252 -3.834) 11.888 12.857 ( 0.000 7.317 -7.670) 10.600 14.823 ( 0.000 0.223 -6.581) 6.585 16.265 ( 0.000 -35.981 -9.995) 37.343 18.510 ( 0.000 28.901 18.293) 34.204 21.275 ( 0.000 25.705 15.778) 30.161 22.990 ( 0.000 -5.817 0.649) 5.853 23.264 ( 0.000 -7.399 -7.213) 10.333 23.729 ( 0.000 -4.120 -10.386) 11.174 24.244 ( 0.000 -4.682 2.690) 5.400 32.262 ( 0.000 0.491 1.081) 1.187 32.313 ( 0.000 -0.448 0.748) 0.872 32.397 ( 0.000 0.488 -0.956) 1.074 32.442 ( 0.000 0.169 0.466) 0.496 34.495 ( 0.000 -17.645 -4.416) 18.189 35.174 ( 0.000 -6.901 -3.963) 7.958 35.545 ( 0.000 5.668 1.143) 5.782 36.018 ( 0.000 9.369 5.207) 10.719 ======================= Grid point 281 (114/144) ======================= q-point: ( 0.17 -0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -25.044 -7.823 -8.736) 27.653 1.845 ( 2.490 -0.005 -74.740) 74.781 2.210 ( -5.014 -3.331 -55.815) 56.139 3.346 ( 25.337 -21.626 -1.805) 33.360 4.577 ( 6.244 -22.353 6.628) 24.137 5.820 ( -22.225 2.965 6.071) 23.229 6.136 ( -3.137 -60.486 18.603) 63.360 6.480 ( -2.897 -50.150 -5.232) 50.505 7.918 ( 33.698 14.815 1.183) 36.830 8.151 ( -9.699 -30.925 -7.863) 33.351 8.455 ( -23.201 -21.241 -3.271) 31.625 9.905 ( 4.865 -4.561 5.667) 8.751 10.154 ( -1.612 8.781 3.149) 9.467 10.520 ( 6.804 -7.408 4.609) 11.064 10.717 ( -8.251 5.394 1.922) 10.044 11.151 ( 16.303 18.267 -8.964) 26.073 11.695 ( -3.869 14.142 9.133) 17.273 11.786 ( 4.299 19.263 4.814) 20.316 12.328 ( 1.261 11.821 -5.690) 13.180 12.780 ( -7.591 7.591 -6.746) 12.679 14.856 ( 3.756 -0.741 -5.423) 6.639 16.074 ( -16.799 -27.723 -7.078) 33.180 18.793 ( 25.950 22.154 15.086) 37.307 21.208 ( -8.595 24.660 14.952) 30.092 22.951 ( -1.362 -6.491 0.161) 6.634 23.320 ( 4.646 -7.449 -6.484) 10.913 23.683 ( -4.396 -4.151 -9.070) 10.900 24.148 ( -8.932 -4.584 1.384) 10.134 32.268 ( 0.431 0.355 1.342) 1.453 32.328 ( 1.278 0.086 0.611) 1.419 32.402 ( 0.427 0.473 -0.871) 1.079 32.438 ( -0.261 0.228 0.421) 0.545 34.545 ( 4.871 -17.045 -4.217) 18.222 35.126 ( -4.512 -8.348 -3.575) 10.140 35.594 ( 4.490 6.660 1.174) 8.118 35.997 ( -2.149 9.585 4.738) 10.906 ======================= Grid point 282 (115/144) ======================= q-point: ( 0.33 -0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 30.858 20.286 -2.612) 37.022 1.897 ( 2.511 0.965 -71.685) 71.735 2.180 ( -0.113 1.411 -66.563) 66.578 3.420 ( -35.549 13.830 3.884) 38.341 4.676 ( 28.052 -11.202 8.365) 31.343 5.769 ( 6.066 -44.869 16.154) 48.073 6.091 ( -1.502 -59.118 19.251) 62.192 6.465 ( -6.751 -39.663 -11.664) 41.890 7.535 ( -20.175 -19.249 -1.776) 27.941 8.019 ( -18.027 -40.853 -15.819) 47.373 8.890 ( 39.427 16.093 0.509) 42.587 9.921 ( -3.070 0.892 3.900) 5.043 10.072 ( -6.783 0.742 0.177) 6.825 10.316 ( -15.918 -1.272 -4.561) 16.607 10.893 ( 15.221 12.290 16.727) 25.739 11.449 ( 2.227 12.359 6.129) 13.974 11.655 ( 9.338 10.056 -9.148) 16.493 11.893 ( 5.790 16.995 8.693) 19.948 12.319 ( -3.176 11.977 -10.595) 16.303 12.578 ( -11.272 9.845 -3.587) 15.390 14.990 ( 9.771 -4.183 -2.199) 10.854 15.693 ( -19.549 -15.220 -4.285) 25.143 19.440 ( 36.748 14.583 11.198) 41.091 20.857 ( -26.760 18.751 11.839) 34.754 23.026 ( 9.204 -4.574 1.583) 10.399 23.404 ( 1.161 -7.486 -3.541) 8.362 23.582 ( -3.351 -3.845 -7.028) 8.683 23.930 ( -11.734 -4.022 -2.955) 12.751 32.279 ( 0.691 0.139 1.931) 2.056 32.347 ( 0.375 0.894 0.391) 1.046 32.410 ( 0.213 0.120 -0.420) 0.486 32.437 ( 0.142 0.528 -0.291) 0.620 34.676 ( 7.869 -15.643 -3.636) 17.884 35.008 ( -7.114 -11.236 -3.243) 13.688 35.705 ( 6.180 8.370 1.697) 10.542 35.932 ( -4.348 9.873 3.663) 11.394 ======================= Grid point 283 (116/144) ======================= q-point: (-0.50 -0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 0.000 3.206 -60.700) 60.785 1.968 ( 0.000 18.157 -25.486) 31.293 2.281 ( 0.000 12.816 -32.994) 35.396 2.541 ( -0.000 28.354 -15.626) 32.375 5.381 ( -0.000 -30.234 21.776) 37.260 5.577 ( 0.000 -33.153 8.604) 34.251 6.145 ( 0.000 -49.741 6.105) 50.115 6.206 ( -0.000 -42.642 8.934) 43.568 7.530 ( 0.000 -35.839 -13.436) 38.275 7.695 ( -0.000 -36.446 -16.350) 39.946 9.545 ( 0.000 15.714 4.195) 16.265 9.636 ( -0.000 12.345 -1.718) 12.464 9.982 ( 0.000 -4.909 2.922) 5.713 10.168 ( 0.000 -7.340 -6.706) 9.942 11.111 ( 0.000 18.612 18.653) 26.350 11.347 ( -0.000 10.512 12.932) 16.665 11.855 ( 0.000 11.410 -5.706) 12.757 12.022 ( 0.000 5.844 -12.731) 14.008 12.195 ( -0.000 12.696 1.553) 12.791 12.447 ( 0.000 14.986 -5.263) 15.883 15.175 ( 0.000 -11.555 3.115) 11.967 15.407 ( -0.000 -4.674 -7.056) 8.464 20.152 ( 0.000 13.807 12.143) 18.386 20.239 ( -0.000 13.225 7.744) 15.325 23.261 ( 0.000 -2.555 2.529) 3.595 23.263 ( -0.000 -4.669 0.648) 4.714 23.616 ( 0.000 -7.324 -4.189) 8.437 23.761 ( -0.000 -2.837 -9.566) 9.977 32.289 ( 0.000 -0.114 2.469) 2.472 32.347 ( 0.000 1.427 0.290) 1.457 32.411 ( 0.000 -0.168 -0.309) 0.352 32.439 ( 0.000 0.676 -0.885) 1.114 34.823 ( 0.000 -13.780 -2.145) 13.946 34.870 ( -0.000 -13.803 -4.315) 14.462 35.823 ( 0.000 9.007 2.772) 9.424 35.833 ( -0.000 10.102 2.382) 10.379 ======================= Grid point 287 (117/144) ======================= q-point: ( 0.00 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 0.000 3.170 0.000) 3.170 1.274 ( 0.000 0.374 0.000) 0.374 2.026 ( 0.000 -5.776 -0.000) 5.776 2.485 ( 0.000 -39.735 -0.000) 39.735 4.096 ( 0.000 -34.771 -0.000) 34.771 5.649 ( 0.000 -68.786 -0.000) 68.786 5.689 ( 0.000 -60.191 -0.000) 60.191 7.022 ( 0.000 18.092 0.000) 18.092 7.348 ( 0.000 28.200 0.000) 28.200 7.569 ( 0.000 -51.939 -0.000) 51.939 8.823 ( 0.000 -9.212 -0.000) 9.212 9.834 ( 0.000 -5.001 -0.000) 5.001 10.021 ( 0.000 -27.723 -0.000) 27.723 10.436 ( 0.000 10.840 0.000) 10.840 10.838 ( 0.000 -0.344 -0.000) 0.344 11.199 ( 0.000 27.693 0.000) 27.693 11.935 ( 0.000 9.431 0.000) 9.431 12.062 ( 0.000 24.084 0.000) 24.084 12.364 ( 0.000 10.740 0.000) 10.740 12.865 ( 0.000 10.319 0.000) 10.319 14.797 ( 0.000 3.424 0.000) 3.424 15.789 ( 0.000 -38.419 -0.000) 38.419 19.020 ( 0.000 34.247 0.000) 34.247 21.686 ( 0.000 24.878 0.000) 24.878 22.941 ( 0.000 -5.998 -0.000) 5.998 23.114 ( 0.000 -7.318 -0.000) 7.318 23.535 ( 0.000 -8.107 -0.000) 8.107 24.228 ( 0.000 -6.275 -0.000) 6.275 32.278 ( 0.000 -0.758 -0.000) 0.758 32.311 ( 0.000 -0.206 -0.000) 0.206 32.391 ( 0.000 0.357 0.000) 0.357 32.448 ( 0.000 0.344 0.000) 0.344 34.265 ( 0.000 -18.415 -0.000) 18.415 35.072 ( 0.000 -5.333 -0.000) 5.333 35.608 ( 0.000 4.726 0.000) 4.726 36.164 ( 0.000 8.708 0.000) 8.708 ======================= Grid point 288 (118/144) ======================= q-point: ( 0.17 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 4.216 3.979 0.000) 5.797 1.199 ( -6.461 2.458 0.000) 6.913 1.529 ( -16.632 -7.928 -0.000) 18.425 3.127 ( 38.385 -21.253 -0.000) 43.876 4.345 ( 18.250 -35.612 -0.000) 40.016 5.646 ( -0.429 -69.665 -0.000) 69.667 5.719 ( 3.469 -53.034 -0.000) 53.147 6.121 ( -47.444 12.486 0.000) 49.060 7.492 ( -7.879 -49.207 -0.000) 49.834 8.177 ( 29.443 17.708 0.000) 34.358 8.350 ( -23.422 -6.802 -0.000) 24.390 9.785 ( 0.207 -19.523 -0.000) 19.524 10.243 ( 0.171 2.318 0.000) 2.324 10.504 ( 6.947 -1.575 -0.000) 7.123 10.772 ( 2.505 -1.813 -0.000) 3.092 11.304 ( 9.745 27.217 0.000) 28.909 11.892 ( -4.277 9.291 0.000) 10.228 12.122 ( 5.364 22.961 0.000) 23.579 12.361 ( -1.305 11.281 0.000) 11.356 12.804 ( -5.850 10.870 0.000) 12.344 14.832 ( 3.802 2.322 0.000) 4.455 15.693 ( -9.055 -32.255 -0.000) 33.502 19.215 ( 18.905 29.205 0.000) 34.790 21.598 ( -11.715 23.389 0.000) 26.159 22.886 ( -0.857 -6.679 -0.000) 6.734 23.183 ( 5.196 -6.836 -0.000) 8.587 23.506 ( -2.781 -7.734 -0.000) 8.219 24.122 ( -9.806 -5.956 -0.000) 11.473 32.283 ( 0.542 -1.025 -0.000) 1.160 32.329 ( 1.364 0.122 0.000) 1.370 32.397 ( 0.559 0.356 0.000) 0.663 32.445 ( -0.257 0.413 0.000) 0.487 34.324 ( 5.673 -17.779 -0.000) 18.662 35.011 ( -5.689 -7.092 -0.000) 9.092 35.670 ( 5.615 6.060 0.000) 8.262 36.141 ( -2.353 9.173 0.000) 9.470 ======================= Grid point 289 (119/144) ======================= q-point: ( 0.33 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 8.288 3.942 0.000) 9.178 1.343 ( -1.014 2.770 0.000) 2.949 1.529 ( 41.236 23.378 0.000) 47.402 3.565 ( -14.744 4.891 0.000) 15.534 4.632 ( 22.917 -19.265 -0.000) 29.939 5.511 ( -9.241 -50.504 -0.000) 51.342 5.658 ( -0.428 -58.449 -0.000) 58.450 5.834 ( 5.199 -37.470 -0.000) 37.829 7.238 ( -17.582 -35.890 -0.000) 39.965 7.507 ( -33.149 -24.397 -0.000) 41.159 9.061 ( 38.003 15.567 0.000) 41.067 9.830 ( 3.962 -16.215 -0.000) 16.692 10.112 ( -9.421 5.005 0.000) 10.668 10.279 ( -20.382 0.837 0.000) 20.399 11.156 ( 22.626 -2.396 -0.000) 22.753 11.568 ( 16.345 23.039 0.000) 28.249 11.761 ( -8.943 8.509 0.000) 12.344 12.193 ( -5.339 16.871 0.000) 17.695 12.321 ( 3.290 15.844 0.000) 16.181 12.655 ( -8.521 13.001 0.000) 15.545 14.962 ( 9.256 -1.530 -0.000) 9.382 15.461 ( -13.349 -20.011 -0.000) 24.055 19.734 ( 31.909 20.424 0.000) 37.886 21.150 ( -31.782 16.815 0.000) 35.956 23.002 ( 11.158 -3.906 -0.000) 11.822 23.293 ( 4.276 -7.064 -0.000) 8.258 23.443 ( -1.510 -5.765 -0.000) 5.959 23.874 ( -14.283 -4.192 -0.000) 14.885 32.301 ( 1.274 -1.047 -0.000) 1.649 32.345 ( -0.006 -0.184 -0.000) 0.184 32.410 ( 0.649 0.221 0.000) 0.685 32.437 ( -0.559 0.524 0.000) 0.766 34.476 ( 9.173 -16.170 -0.000) 18.590 34.863 ( -8.788 -10.591 -0.000) 13.762 35.806 ( 7.459 8.231 0.000) 11.108 36.069 ( -4.852 9.808 0.000) 10.943 ======================= Grid point 290 (120/144) ======================= q-point: (-0.50 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -1.356 2.372 0.000) 2.732 1.234 ( 1.356 2.372 0.000) 2.732 2.654 ( -53.265 29.166 0.000) 60.727 2.654 ( 53.265 29.166 0.000) 60.727 5.290 ( -25.527 -46.783 -0.000) 53.294 5.290 ( 25.527 -46.783 -0.000) 53.294 5.722 ( -3.458 -41.000 -0.000) 41.146 5.722 ( 3.458 -41.000 -0.000) 41.146 7.091 ( -4.412 -34.828 -0.000) 35.106 7.091 ( 4.412 -34.828 -0.000) 35.106 9.725 ( -27.101 10.247 0.000) 28.974 9.725 ( 27.101 10.247 0.000) 28.974 9.973 ( -3.154 -8.002 -0.000) 8.601 9.973 ( 3.154 -8.002 -0.000) 8.601 11.527 ( -8.603 5.334 0.000) 10.122 11.527 ( 8.603 5.334 0.000) 10.122 11.925 ( -13.058 15.812 0.000) 20.507 11.925 ( 13.058 15.812 0.000) 20.507 12.476 ( -3.231 16.275 0.000) 16.593 12.476 ( 3.231 16.275 0.000) 16.593 15.190 ( -5.578 -9.022 0.000) 10.607 15.190 ( 5.578 -9.022 0.000) 10.607 20.437 ( -36.742 15.266 0.000) 39.787 20.437 ( 36.742 15.266 0.000) 39.787 23.224 ( -8.403 -5.646 -0.000) 10.123 23.224 ( 8.403 -5.646 -0.000) 10.123 23.586 ( -7.771 -3.183 0.000) 8.398 23.586 ( 7.771 -3.183 0.000) 8.398 32.329 ( -0.261 -0.783 0.000) 0.826 32.329 ( 0.261 -0.783 0.000) 0.826 32.423 ( -0.142 0.363 0.000) 0.389 32.423 ( 0.142 0.363 0.000) 0.389 34.672 ( -9.329 -13.814 -0.000) 16.669 34.672 ( 9.329 -13.814 -0.000) 16.669 35.951 ( -6.520 9.591 0.000) 11.597 35.951 ( 6.520 9.591 0.000) 11.597 ======================= Grid point 336 (121/144) ======================= q-point: ( 0.00 -0.64 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 0.000 0.000 7.087) 7.087 4.570 ( 0.000 -0.000 -18.965) 18.965 4.733 ( 0.000 -0.000 -58.792) 58.792 4.785 ( 0.000 -0.000 -68.606) 68.606 4.887 ( 0.000 0.000 14.784) 14.784 5.303 ( 0.000 0.000 19.475) 19.475 6.292 ( 0.000 -0.000 -6.774) 6.774 7.633 ( 0.000 0.000 33.008) 33.008 7.896 ( 0.000 0.000 25.755) 25.755 8.021 ( 0.000 0.000 19.796) 19.796 8.327 ( 0.000 0.000 9.857) 9.857 8.824 ( 0.000 0.000 13.743) 13.743 9.946 ( 0.000 0.000 2.241) 2.241 10.109 ( 0.000 0.000 9.661) 9.661 10.845 ( 0.000 0.000 3.159) 3.159 10.864 ( 0.000 0.000 5.000) 5.000 11.652 ( 0.000 -0.000 -23.577) 23.577 11.725 ( 0.000 -0.000 -8.810) 8.810 11.993 ( 0.000 0.000 1.034) 1.034 12.919 ( 0.000 -0.000 -1.020) 1.020 15.935 ( 0.000 -0.000 -40.983) 40.983 16.823 ( 0.000 0.000 32.013) 32.013 18.026 ( 0.000 -0.000 -35.259) 35.259 19.538 ( 0.000 0.000 34.490) 34.490 23.222 ( 0.000 -0.000 -4.845) 4.845 23.674 ( 0.000 -0.000 -0.325) 0.325 23.713 ( 0.000 0.000 6.474) 6.474 24.445 ( 0.000 0.000 0.995) 0.995 32.217 ( 0.000 0.000 1.797) 1.797 32.254 ( 0.000 0.000 0.610) 0.610 32.361 ( 0.000 0.000 3.837) 3.837 32.395 ( 0.000 0.000 0.291) 0.291 35.167 ( 0.000 0.000 5.149) 5.149 35.250 ( 0.000 -0.000 -8.547) 8.547 35.543 ( 0.000 -0.000 -2.004) 2.004 35.606 ( 0.000 -0.000 -1.021) 1.021 ======================= Grid point 338 (122/144) ======================= q-point: ( 0.17 -0.64 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 4.245 -0.000 -3.815) 5.707 3.800 ( -65.886 0.000 14.517) 67.467 3.992 ( -20.263 -0.000 -19.388) 28.045 4.781 ( -0.543 -0.000 -66.843) 66.846 5.152 ( 15.242 -0.000 -56.481) 58.502 6.159 ( 41.577 0.000 19.289) 45.833 6.564 ( 22.534 0.000 5.767) 23.260 7.609 ( -4.240 0.000 28.907) 29.216 7.865 ( -2.572 0.000 26.979) 27.102 7.915 ( -15.650 0.000 11.895) 19.657 8.479 ( 14.914 0.000 2.887) 15.190 8.486 ( -13.854 0.000 22.369) 26.312 10.013 ( -9.420 0.000 10.217) 13.897 10.298 ( 19.662 -0.000 -3.063) 19.900 10.844 ( 2.512 0.000 4.217) 4.909 10.865 ( 0.263 0.000 4.101) 4.110 11.388 ( -12.791 -0.000 -12.013) 17.548 11.975 ( 12.864 -0.000 -15.741) 20.329 12.002 ( 0.467 0.000 1.878) 1.936 12.841 ( -7.531 -0.000 -1.735) 7.728 15.877 ( -4.979 -0.000 -36.809) 37.144 16.527 ( -22.857 0.000 16.425) 28.147 18.365 ( 27.187 -0.000 -19.518) 33.468 19.581 ( 3.145 0.000 30.260) 30.423 23.175 ( -3.499 -0.000 -3.736) 5.119 23.640 ( -7.112 0.000 6.390) 9.560 23.747 ( 6.600 -0.000 -0.585) 6.626 24.398 ( -4.512 0.000 0.463) 4.535 32.217 ( 0.020 0.000 1.626) 1.626 32.259 ( 0.281 0.000 0.849) 0.894 32.360 ( 0.106 0.000 3.628) 3.630 32.399 ( 0.275 0.000 0.458) 0.534 35.195 ( 2.741 0.000 4.920) 5.632 35.273 ( 2.275 -0.000 -8.168) 8.479 35.526 ( -1.735 -0.000 -1.477) 2.278 35.587 ( -1.928 -0.000 -1.524) 2.458 ======================= Grid point 340 (123/144) ======================= q-point: ( 0.33 -0.64 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -24.136 -0.000 -19.357) 30.939 2.487 ( -63.047 0.000 10.035) 63.840 4.106 ( 25.564 -0.000 -13.488) 28.904 4.748 ( -3.522 -0.000 -61.668) 61.768 5.414 ( 15.359 -0.000 -50.496) 52.780 6.576 ( -11.280 0.000 14.441) 18.324 6.976 ( 15.815 0.000 20.913) 26.219 7.260 ( -15.631 0.000 8.446) 17.766 7.722 ( -0.203 0.000 30.616) 30.616 7.809 ( -2.853 0.000 28.645) 28.787 8.575 ( 17.074 0.000 21.241) 27.253 8.875 ( 21.132 -0.000 -7.175) 22.317 9.770 ( -12.109 0.000 8.699) 14.910 10.286 ( -17.807 -0.000 -15.081) 23.335 10.882 ( 1.565 0.000 2.405) 2.869 10.979 ( 0.889 -0.000 -0.890) 1.258 11.371 ( 16.671 0.000 6.097) 17.751 11.976 ( -4.486 0.000 4.301) 6.214 12.206 ( 10.444 -0.000 -14.618) 17.966 12.638 ( -11.977 -0.000 -4.803) 12.904 15.787 ( -2.520 -0.000 -26.297) 26.417 16.091 ( -18.686 0.000 1.136) 18.721 18.930 ( 27.177 -0.000 -4.626) 27.568 19.593 ( -3.758 0.000 19.950) 20.301 23.139 ( 1.083 -0.000 -0.765) 1.326 23.450 ( -11.118 0.000 5.504) 12.406 23.910 ( 9.281 -0.000 -0.831) 9.318 24.274 ( -7.719 -0.000 -0.421) 7.730 32.221 ( 0.452 0.000 1.355) 1.429 32.255 ( -0.735 0.000 1.258) 1.457 32.371 ( 1.027 0.000 2.939) 3.113 32.402 ( -0.070 0.000 1.056) 1.058 35.268 ( 4.275 0.000 3.942) 5.815 35.332 ( 3.119 -0.000 -6.341) 7.067 35.478 ( -2.679 -0.000 -0.570) 2.739 35.532 ( -3.390 -0.000 -2.945) 4.491 ======================= Grid point 342 (124/144) ======================= q-point: (-0.50 -0.64 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -16.579 0.000 -4.727) 17.239 1.480 ( 16.579 0.000 -4.727) 17.239 4.580 ( -14.746 -0.000 -42.591) 45.071 4.580 ( 14.746 -0.000 -42.591) 45.071 5.923 ( -27.823 0.000 -17.334) 32.781 5.923 ( 27.823 0.000 -17.334) 32.781 7.169 ( -0.802 0.000 24.165) 24.178 7.169 ( 0.802 0.000 24.165) 24.178 7.754 ( -1.600 0.000 30.074) 30.117 7.754 ( 1.600 0.000 30.074) 30.117 8.965 ( -14.323 0.000 9.868) 17.393 8.965 ( 14.323 0.000 9.868) 17.393 9.835 ( -17.520 0.000 -11.825) 21.137 9.835 ( 17.520 0.000 -11.825) 21.137 10.929 ( -0.430 0.000 0.453) 0.625 10.929 ( 0.430 0.000 0.453) 0.625 11.767 ( -9.393 0.000 7.816) 12.219 11.767 ( 9.393 0.000 7.816) 12.219 12.408 ( -10.367 -0.000 -10.686) 14.888 12.408 ( 10.367 -0.000 -10.686) 14.888 15.827 ( -6.020 -0.000 -12.732) 14.083 15.827 ( 6.020 -0.000 -12.732) 14.083 19.385 ( -15.626 0.000 7.646) 17.396 19.385 ( 15.626 0.000 7.646) 17.396 23.240 ( -7.675 0.000 2.976) 8.232 23.240 ( 7.675 0.000 2.976) 8.232 24.100 ( -8.427 0.000 -0.847) 8.470 24.100 ( 8.427 0.000 -0.847) 8.470 32.236 ( -0.380 0.000 1.306) 1.360 32.236 ( 0.380 0.000 1.306) 1.360 32.393 ( -0.795 0.000 2.009) 2.160 32.393 ( 0.795 0.000 2.009) 2.160 35.347 ( -1.038 0.000 0.828) 1.328 35.347 ( 1.038 0.000 0.828) 1.328 35.465 ( -1.237 0.000 -3.704) 3.906 35.465 ( 1.237 0.000 -3.704) 3.906 ======================= Grid point 350 (125/144) ======================= q-point: ( 0.00 -0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 0.000 -4.417 5.635) 7.160 3.363 ( 0.000 -1.653 -83.419) 83.435 3.532 ( 0.000 -1.930 -68.531) 68.558 4.162 ( 0.000 -20.074 -13.406) 24.139 5.048 ( 0.000 -12.376 8.837) 15.207 5.723 ( 0.000 17.752 14.225) 22.748 6.178 ( 0.000 8.148 -7.595) 11.139 7.757 ( 0.000 -53.908 28.609) 61.029 7.982 ( 0.000 -42.647 11.958) 44.292 8.768 ( 0.000 14.218 11.873) 18.524 8.774 ( 0.000 40.782 26.391) 48.576 9.194 ( 0.000 20.013 17.422) 26.533 9.870 ( 0.000 -17.097 -3.750) 17.503 10.229 ( 0.000 5.166 1.949) 5.521 10.814 ( 0.000 -8.954 3.322) 9.550 11.032 ( 0.000 7.899 3.160) 8.508 11.255 ( 0.000 9.059 -20.505) 22.417 11.535 ( 0.000 -2.228 -9.490) 9.748 12.057 ( 0.000 5.269 1.462) 5.468 12.866 ( 0.000 1.453 -5.722) 5.904 15.238 ( 0.000 -4.935 -29.711) 30.118 17.410 ( 0.000 -15.456 -22.556) 27.344 17.456 ( 0.000 10.407 29.355) 31.146 20.197 ( 0.000 13.205 28.873) 31.750 23.145 ( 0.000 -2.694 -2.035) 3.377 23.582 ( 0.000 -2.708 -7.639) 8.105 23.804 ( 0.000 1.730 1.762) 2.469 24.392 ( 0.000 -2.366 -4.312) 4.918 32.241 ( 0.000 -0.372 1.141) 1.200 32.277 ( 0.000 0.797 1.293) 1.519 32.397 ( 0.000 0.258 -0.329) 0.418 32.415 ( 0.000 0.181 1.984) 1.992 35.042 ( 0.000 -10.978 -5.049) 12.083 35.300 ( 0.000 7.844 1.988) 8.092 35.466 ( 0.000 -5.070 -3.504) 6.163 35.665 ( 0.000 5.567 4.002) 6.857 ======================= Grid point 351 (126/144) ======================= q-point: ( 0.17 -0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -15.240 -6.436 -5.388) 17.399 3.294 ( -7.309 -8.136 -58.241) 59.259 3.395 ( -2.194 2.159 -74.491) 74.555 4.013 ( -41.798 -7.496 -5.276) 42.792 4.442 ( -4.843 9.860 -11.134) 15.641 6.232 ( 35.127 -28.169 6.911) 45.554 6.748 ( 36.096 14.462 7.169) 39.541 7.756 ( -6.243 -36.082 16.481) 40.156 7.915 ( -5.857 -33.870 15.146) 37.562 8.391 ( -17.645 -7.880 15.136) 24.547 8.881 ( 2.930 37.321 20.185) 42.530 9.101 ( -3.529 31.394 21.229) 38.061 9.934 ( -2.227 -24.608 -5.895) 25.402 10.333 ( 3.205 13.921 -0.726) 14.303 10.809 ( 0.115 -10.261 1.683) 10.399 11.002 ( 2.362 6.642 1.125) 7.139 11.219 ( -0.290 8.797 -6.401) 10.883 11.669 ( 10.132 -3.320 -14.325) 17.857 12.076 ( 1.367 6.642 0.197) 6.785 12.779 ( -8.595 1.347 -5.837) 10.476 15.247 ( 1.487 -4.745 -26.723) 27.182 16.687 ( -34.946 -3.504 0.453) 35.124 18.231 ( 39.981 -0.912 6.778) 40.562 20.180 ( -2.576 12.571 26.834) 29.744 23.115 ( -1.879 -2.669 -1.437) 3.566 23.642 ( 4.728 -3.677 -7.059) 9.258 23.740 ( -5.618 2.306 1.589) 6.277 24.328 ( -5.967 -2.501 -5.604) 8.560 32.239 ( -0.074 -0.176 1.124) 1.140 32.284 ( 0.523 0.798 1.366) 1.666 32.402 ( 0.418 0.161 -0.177) 0.481 32.412 ( -0.117 0.260 1.774) 1.797 35.074 ( 3.150 -10.678 -4.799) 12.123 35.322 ( 2.075 7.216 1.868) 7.737 35.454 ( -1.171 -5.383 -2.846) 6.201 35.642 ( -2.248 6.286 3.505) 7.540 ======================= Grid point 352 (127/144) ======================= q-point: ( 0.33 -0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -21.914 -4.551 -15.631) 27.300 2.685 ( -63.043 11.945 1.166) 64.175 3.382 ( 3.473 -0.358 -64.013) 64.108 3.451 ( -0.492 0.725 -75.041) 75.046 4.881 ( 38.713 -4.707 -6.006) 39.458 6.716 ( -12.558 -24.860 14.576) 31.435 7.093 ( 2.123 -24.719 14.709) 28.843 7.372 ( -3.057 -18.079 11.819) 21.815 8.100 ( 17.514 -8.946 14.514) 24.442 8.335 ( 6.339 -5.414 14.580) 16.794 8.927 ( 1.741 18.319 6.465) 19.504 9.098 ( 3.502 27.390 20.680) 34.498 9.787 ( -10.330 -13.499 -3.376) 17.330 10.140 ( -17.362 16.381 -4.641) 24.317 10.809 ( -0.112 -11.707 0.734) 11.730 11.056 ( -1.008 10.116 0.793) 10.197 11.445 ( 20.778 0.090 2.942) 20.986 11.876 ( 10.159 -4.927 -13.203) 17.372 12.090 ( -0.067 10.794 -4.150) 11.565 12.532 ( -15.781 1.002 -6.784) 17.207 15.332 ( 7.971 -4.495 -18.726) 20.843 16.057 ( -27.697 -3.493 -2.739) 28.051 18.998 ( 36.135 1.288 10.213) 37.573 20.038 ( -12.984 9.998 21.458) 27.000 23.127 ( 4.115 -2.158 0.582) 4.683 23.532 ( -11.768 -0.283 3.281) 12.220 23.806 ( 8.438 -2.048 -8.542) 12.181 24.176 ( -8.773 -2.527 -7.934) 12.095 32.242 ( 0.406 -0.035 1.208) 1.275 32.285 ( -0.573 0.992 1.440) 1.840 32.410 ( 0.424 -0.081 0.701) 0.823 32.416 ( 0.421 0.510 0.631) 0.915 35.161 ( 5.295 -10.241 -3.711) 12.112 35.356 ( -0.441 -0.924 -0.172) 1.038 35.435 ( 0.717 0.919 -0.053) 1.167 35.580 ( -3.769 7.806 2.316) 8.972 ======================= Grid point 353 (128/144) ======================= q-point: (-0.50 -0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 0.000 -0.524 2.203) 2.264 1.612 ( -0.000 23.807 -6.378) 24.646 3.416 ( 0.000 -2.348 -75.279) 75.316 3.464 ( 0.000 2.115 -74.783) 74.813 5.751 ( -0.000 -14.478 8.883) 16.986 5.916 ( 0.000 1.769 1.219) 2.149 7.314 ( 0.000 -43.664 26.690) 51.175 7.320 ( -0.000 -38.069 19.249) 42.659 8.331 ( 0.000 11.292 13.387) 17.514 8.423 ( 0.000 14.240 15.352) 20.940 8.954 ( 0.000 -3.099 0.111) 3.101 9.180 ( 0.000 15.043 4.470) 15.693 9.646 ( -0.000 -0.147 -0.505) 0.526 9.896 ( 0.000 19.160 2.058) 19.270 10.809 ( 0.000 -11.094 0.789) 11.122 11.037 ( 0.000 8.729 0.704) 8.757 11.721 ( 0.000 -10.438 0.500) 10.450 12.002 ( 0.000 13.921 1.334) 13.985 12.194 ( 0.000 0.777 -11.412) 11.439 12.197 ( -0.000 1.739 -12.861) 12.978 15.560 ( -0.000 -7.413 -9.340) 11.924 15.628 ( 0.000 -0.454 -9.434) 9.445 19.605 ( 0.000 2.458 15.827) 16.017 19.670 ( -0.000 8.352 14.650) 16.864 23.272 ( 0.000 -2.289 3.280) 4.000 23.303 ( -0.000 0.489 2.246) 2.298 23.968 ( 0.000 -4.725 -8.770) 9.962 24.011 ( -0.000 -0.415 -9.178) 9.187 32.251 ( 0.000 -0.472 1.523) 1.594 32.272 ( 0.000 1.554 1.224) 1.978 32.416 ( 0.000 -0.053 0.532) 0.535 32.421 ( 0.000 0.523 0.592) 0.790 35.250 ( 0.000 -10.099 -1.880) 10.273 35.308 ( -0.000 -8.352 -2.592) 8.745 35.480 ( 0.000 8.308 1.859) 8.513 35.514 ( -0.000 7.747 1.357) 7.865 ======================= Grid point 357 (129/144) ======================= q-point: ( 0.00 -0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 0.000 -4.582 -20.758) 21.257 1.808 ( 0.000 1.154 -85.489) 85.497 2.442 ( 0.000 -1.507 -38.657) 38.686 3.709 ( 0.000 -31.439 -6.923) 32.192 4.965 ( 0.000 -23.281 3.460) 23.536 6.148 ( 0.000 24.440 7.974) 25.708 6.220 ( 0.000 16.468 -2.541) 16.662 7.638 ( 0.000 -55.871 19.620) 59.216 7.668 ( 0.000 -50.374 5.937) 50.722 8.971 ( 0.000 -1.826 6.205) 6.468 9.221 ( 0.000 -29.603 -5.247) 30.064 9.688 ( 0.000 7.233 11.775) 13.819 9.720 ( 0.000 26.283 10.087) 28.152 10.336 ( 0.000 20.228 -3.664) 20.558 10.786 ( 0.000 -10.624 4.108) 11.390 11.005 ( 0.000 -7.939 -7.227) 10.735 11.190 ( 0.000 27.919 -7.924) 29.021 11.486 ( 0.000 11.184 1.173) 11.245 12.134 ( 0.000 5.608 0.613) 5.642 12.759 ( 0.000 2.684 -7.228) 7.710 14.818 ( 0.000 0.233 -13.721) 13.723 16.908 ( 0.000 -24.522 -10.368) 26.624 18.044 ( 0.000 15.934 19.362) 25.075 20.800 ( 0.000 18.739 18.243) 26.152 23.093 ( 0.000 -3.801 -0.173) 3.805 23.385 ( 0.000 -4.201 -8.553) 9.529 23.778 ( 0.000 -0.996 -5.076) 5.172 24.308 ( 0.000 -1.812 -1.158) 2.150 32.255 ( 0.000 -0.027 0.720) 0.721 32.308 ( 0.000 0.851 0.966) 1.288 32.390 ( 0.000 0.252 -0.655) 0.702 32.437 ( 0.000 0.187 0.454) 0.491 34.833 ( 0.000 -14.697 -3.162) 15.033 35.335 ( 0.000 -8.247 -2.766) 8.699 35.410 ( 0.000 7.468 1.263) 7.574 35.826 ( 0.000 9.022 4.365) 10.023 ======================= Grid point 358 (130/144) ======================= q-point: ( 0.17 -0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -25.011 -9.843 -14.909) 30.737 1.827 ( 1.859 1.265 -82.952) 82.983 2.250 ( -10.944 -1.203 -53.606) 54.725 3.778 ( 2.219 -20.537 -0.334) 20.659 4.606 ( -31.915 15.385 3.315) 35.584 6.020 ( 27.395 -22.993 1.421) 35.794 6.989 ( 29.988 -1.592 9.168) 31.399 7.526 ( -10.217 -46.384 5.819) 47.851 7.830 ( 13.930 -29.390 11.794) 34.596 8.491 ( -27.661 -11.222 7.946) 30.891 9.181 ( -11.633 -29.095 -7.879) 32.310 9.717 ( 2.068 13.670 6.299) 15.193 9.794 ( 4.544 30.295 14.365) 33.835 10.432 ( 0.521 11.285 -1.301) 11.372 10.720 ( -4.586 -5.736 -1.417) 7.479 11.031 ( 11.550 0.581 -2.599) 11.853 11.356 ( 9.333 18.929 -0.503) 21.111 11.464 ( -0.279 6.544 -3.541) 7.446 12.127 ( -1.190 7.423 -2.577) 7.947 12.680 ( -7.824 2.588 -6.213) 10.320 14.868 ( 5.511 -0.420 -11.991) 13.203 16.529 ( -28.773 -15.220 -4.384) 32.845 18.490 ( 35.252 7.582 13.608) 38.540 20.751 ( -5.977 18.037 17.352) 25.733 23.067 ( -1.045 -4.303 -0.041) 4.429 23.444 ( 5.134 -4.384 -8.426) 10.797 23.729 ( -4.868 -0.758 -4.136) 6.433 24.215 ( -8.733 -2.091 -2.549) 9.335 32.257 ( 0.238 0.275 0.838) 0.913 32.317 ( 0.672 0.965 0.964) 1.521 32.394 ( 0.437 0.264 -0.708) 0.873 32.434 ( -0.331 0.199 0.424) 0.574 34.873 ( 3.923 -14.303 -2.964) 15.124 35.311 ( -2.256 -8.938 -2.111) 9.457 35.446 ( 3.237 7.486 1.028) 8.220 35.800 ( -2.564 9.415 3.943) 10.525 ======================= Grid point 359 (131/144) ======================= q-point: ( 0.33 -0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -3.871 3.075 -7.875) 9.298 1.868 ( 1.378 1.683 -77.459) 77.490 2.134 ( -2.998 2.258 -68.978) 69.080 3.037 ( -61.412 19.069 1.818) 64.330 4.843 ( 43.561 -5.902 3.613) 44.107 6.627 ( 11.319 -35.194 11.009) 38.574 7.026 ( -20.890 -25.407 4.358) 33.180 7.320 ( 0.955 -40.988 14.818) 43.594 7.986 ( 4.600 -25.205 -0.214) 25.622 8.510 ( 18.423 -1.110 7.914) 20.082 8.882 ( -10.119 -22.684 -10.548) 26.986 9.661 ( -9.794 20.182 5.086) 23.002 9.870 ( 2.619 22.828 11.878) 25.867 10.240 ( -11.869 10.824 -3.508) 16.442 10.764 ( 5.446 -5.404 5.843) 9.644 11.211 ( -1.576 10.039 5.796) 11.698 11.508 ( 11.538 9.957 -7.935) 17.182 11.641 ( 16.169 1.453 -1.514) 16.304 12.074 ( -3.803 11.673 -10.660) 16.259 12.452 ( -14.809 2.793 -3.521) 15.476 15.059 ( 13.986 -2.509 -7.472) 16.054 15.946 ( -28.089 -8.802 -2.094) 29.510 19.247 ( 38.552 4.785 11.430) 40.495 20.506 ( -19.605 14.062 14.724) 28.264 23.115 ( 6.705 -3.603 1.332) 7.727 23.529 ( -3.369 -4.338 -2.511) 6.040 23.624 ( 0.838 -0.717 -7.308) 7.390 24.000 ( -11.660 -2.589 -6.459) 13.579 32.267 ( 0.796 0.635 1.218) 1.587 32.322 ( -0.398 1.334 1.004) 1.717 32.405 ( 0.599 0.216 -0.721) 0.962 32.428 ( -0.219 0.317 -0.053) 0.389 34.983 ( 6.705 -13.713 -2.227) 15.426 35.245 ( -4.516 -11.396 -1.614) 12.364 35.527 ( 4.742 8.790 1.322) 10.074 35.727 ( -4.531 10.119 2.898) 11.459 ======================= Grid point 360 (132/144) ======================= q-point: (-0.50 -0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 0.000 19.757 -0.276) 19.759 1.654 ( -0.000 17.864 -27.872) 33.106 2.107 ( -0.000 9.533 -52.463) 53.323 2.132 ( -0.000 4.829 -67.450) 67.623 5.800 ( -0.000 -13.116 10.035) 16.515 5.920 ( 0.000 -7.183 1.493) 7.337 7.196 ( 0.000 -48.115 16.091) 50.735 7.263 ( -0.000 -50.768 19.547) 54.401 8.196 ( 0.000 -27.096 -7.950) 28.239 8.364 ( -0.000 -25.164 -9.585) 26.928 9.176 ( 0.000 18.471 7.642) 19.989 9.350 ( -0.000 14.669 -2.408) 14.865 9.897 ( 0.000 15.334 10.155) 18.392 10.122 ( 0.000 14.354 -1.169) 14.401 10.842 ( 0.000 1.416 11.628) 11.714 11.151 ( 0.000 6.013 3.656) 7.037 11.636 ( 0.000 7.024 -4.999) 8.621 11.932 ( 0.000 6.916 -15.897) 17.336 12.068 ( -0.000 1.456 -2.484) 2.880 12.154 ( 0.000 10.356 -2.919) 10.759 15.381 ( 0.000 -8.015 -1.212) 8.106 15.482 ( 0.000 -2.385 -5.633) 6.117 19.938 ( 0.000 6.751 13.850) 15.407 20.006 ( -0.000 9.153 10.534) 13.955 23.310 ( 0.000 -2.081 3.101) 3.734 23.328 ( -0.000 -1.750 1.260) 2.156 23.744 ( 0.000 -4.913 -8.369) 9.705 23.809 ( -0.000 -1.495 -10.595) 10.700 32.282 ( 0.000 0.431 1.826) 1.876 32.310 ( 0.000 1.857 0.740) 1.999 32.413 ( -0.000 -0.041 -0.484) 0.486 32.425 ( 0.000 0.620 -0.737) 0.963 35.105 ( 0.000 -13.324 -0.566) 13.336 35.147 ( -0.000 -12.877 -2.584) 13.134 35.622 ( 0.000 10.498 2.220) 10.730 35.634 ( -0.000 9.528 1.597) 9.661 ======================= Grid point 364 (133/144) ======================= q-point: ( 0.00 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 0.000 8.118 0.000) 8.118 1.234 ( 0.000 2.774 0.000) 2.774 2.144 ( 0.000 -5.672 -0.000) 5.672 3.287 ( 0.000 -37.319 -0.000) 37.319 4.733 ( 0.000 -27.473 -0.000) 27.473 6.360 ( 0.000 10.372 0.000) 10.372 6.459 ( 0.000 15.096 0.000) 15.096 7.189 ( 0.000 -48.604 -0.000) 48.604 7.276 ( 0.000 -47.196 -0.000) 47.196 8.645 ( 0.000 -50.917 -0.000) 50.917 8.986 ( 0.000 -6.050 -0.000) 6.050 9.893 ( 0.000 0.512 0.000) 0.512 10.050 ( 0.000 20.473 0.000) 20.473 10.569 ( 0.000 32.125 0.000) 32.125 10.642 ( 0.000 -24.732 -0.000) 24.732 10.860 ( 0.000 -1.511 -0.000) 1.511 11.465 ( 0.000 32.948 0.000) 32.948 11.663 ( 0.000 15.408 0.000) 15.408 12.196 ( 0.000 6.189 0.000) 6.189 12.717 ( 0.000 4.387 0.000) 4.387 14.725 ( 0.000 3.440 0.000) 3.440 16.526 ( 0.000 -31.689 -0.000) 31.689 18.429 ( 0.000 22.712 0.000) 22.712 21.186 ( 0.000 22.505 0.000) 22.505 23.052 ( 0.000 -4.586 -0.000) 4.586 23.248 ( 0.000 -5.392 -0.000) 5.392 23.673 ( 0.000 -5.172 -0.000) 5.172 24.296 ( 0.000 -1.078 -0.000) 1.078 32.265 ( 0.000 0.594 0.000) 0.594 32.323 ( 0.000 0.145 0.000) 0.145 32.385 ( 0.000 0.239 0.000) 0.239 32.442 ( 0.000 0.201 0.000) 0.201 34.637 ( 0.000 -17.241 -0.000) 17.241 35.219 ( 0.000 -8.592 -0.000) 8.592 35.494 ( 0.000 6.572 0.000) 6.572 35.970 ( 0.000 9.920 0.000) 9.920 ======================= Grid point 365 (134/144) ======================= q-point: ( 0.17 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 3.634 6.891 0.000) 7.790 1.157 ( -9.738 1.734 0.000) 9.891 1.699 ( -30.035 -9.232 -0.000) 31.422 3.567 ( 20.125 -21.218 -0.000) 29.245 4.740 ( -16.990 1.388 0.000) 17.046 5.867 ( 5.447 -8.292 -0.000) 9.921 6.885 ( 8.685 -42.010 -0.000) 42.898 7.041 ( -8.042 -57.698 -0.000) 58.256 7.796 ( 34.574 5.776 0.000) 35.053 8.406 ( -23.124 -23.765 -0.000) 33.158 8.663 ( -18.189 -34.037 -0.000) 38.592 10.009 ( -2.311 16.867 0.000) 17.024 10.033 ( 4.689 1.374 0.000) 4.886 10.614 ( -12.969 4.861 0.000) 13.850 10.696 ( 9.393 14.136 0.000) 16.973 10.902 ( 17.905 -6.214 -0.000) 18.953 11.557 ( 2.963 24.437 0.000) 24.616 11.650 ( 2.714 18.095 0.000) 18.298 12.166 ( -3.576 7.965 0.000) 8.731 12.651 ( -6.561 4.281 0.000) 7.834 14.782 ( 6.110 2.383 0.000) 6.559 16.281 ( -21.026 -23.550 -0.000) 31.570 18.751 ( 28.638 15.508 0.000) 32.567 21.121 ( -8.007 21.646 0.000) 23.079 23.017 ( -1.012 -5.637 -0.000) 5.728 23.310 ( 5.107 -5.153 -0.000) 7.255 23.637 ( -3.591 -4.827 -0.000) 6.016 24.188 ( -10.216 -1.207 -0.000) 10.287 32.273 ( 0.653 0.868 0.000) 1.086 32.332 ( 0.779 0.342 0.000) 0.851 32.389 ( 0.451 0.325 0.000) 0.556 32.438 ( -0.367 0.239 0.000) 0.438 34.684 ( 4.539 -16.711 -0.000) 17.316 35.188 ( -2.956 -9.833 -0.000) 10.267 35.534 ( 3.785 7.309 0.000) 8.231 35.943 ( -2.742 10.074 0.000) 10.441 ======================= Grid point 366 (135/144) ======================= q-point: ( 0.33 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 18.135 11.865 0.000) 21.672 1.053 ( 11.700 12.810 0.000) 17.349 1.348 ( -7.689 2.495 0.000) 8.083 3.273 ( -54.289 20.540 0.000) 58.045 4.821 ( 39.513 -6.281 -0.000) 40.009 6.387 ( 28.544 -37.053 -0.000) 46.773 6.705 ( -27.276 -39.490 -0.000) 47.994 6.965 ( -0.818 -58.402 -0.000) 58.408 7.735 ( -13.714 -21.920 -0.000) 25.857 8.282 ( -21.877 -41.117 -0.000) 46.575 8.741 ( 38.629 12.699 0.000) 40.663 9.894 ( -11.414 15.181 0.000) 18.994 10.077 ( 0.546 -1.611 -0.000) 1.701 10.273 ( -15.791 3.311 0.000) 16.134 10.935 ( 13.649 16.810 0.000) 21.653 11.358 ( 22.947 -0.174 -0.000) 22.947 11.453 ( -9.351 17.335 0.000) 19.696 11.848 ( 12.227 16.924 0.000) 20.878 12.035 ( -8.769 11.536 0.000) 14.490 12.461 ( -12.371 5.439 0.000) 13.514 14.985 ( 14.447 -0.904 -0.000) 14.476 15.810 ( -24.448 -13.494 -0.000) 27.925 19.434 ( 37.530 9.171 0.000) 38.634 20.802 ( -24.546 16.187 0.000) 29.403 23.090 ( 8.755 -4.358 -0.000) 9.780 23.426 ( 5.173 -5.545 -0.000) 7.583 23.538 ( -4.866 -3.241 -0.000) 5.847 23.927 ( -14.818 -1.494 -0.000) 14.893 32.292 ( 1.299 1.189 0.000) 1.761 32.341 ( -0.227 0.748 0.000) 0.782 32.401 ( 0.671 0.470 0.000) 0.820 32.428 ( -0.638 0.323 0.000) 0.715 34.808 ( 7.562 -15.691 -0.000) 17.418 35.103 ( -5.642 -12.389 -0.000) 13.613 35.632 ( 5.744 8.816 0.000) 10.523 35.864 ( -4.996 10.314 0.000) 11.460 ======================= Grid point 367 (136/144) ======================= q-point: (-0.50 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -2.496 6.194 0.000) 6.678 1.138 ( 2.496 6.194 0.000) 6.678 2.029 ( -58.507 29.469 0.000) 65.509 2.029 ( 58.507 29.469 0.000) 65.509 5.798 ( -50.141 -13.854 -0.000) 52.020 5.798 ( 50.141 -13.854 -0.000) 52.020 6.862 ( -8.111 -57.145 -0.000) 57.717 6.862 ( 8.111 -57.145 -0.000) 57.717 7.833 ( -12.960 -35.585 -0.000) 37.872 7.833 ( 12.960 -35.585 -0.000) 37.872 9.451 ( -29.441 15.523 0.000) 33.283 9.451 ( 29.441 15.523 0.000) 33.283 10.104 ( -0.531 -0.713 0.000) 0.889 10.104 ( 0.531 -0.713 0.000) 0.889 11.215 ( -4.865 17.759 0.000) 18.413 11.215 ( 4.865 17.759 0.000) 18.413 11.751 ( -7.933 6.192 0.000) 10.064 11.751 ( 7.933 6.192 0.000) 10.064 12.172 ( -9.645 11.100 0.000) 14.705 12.172 ( 9.645 11.100 0.000) 14.705 15.347 ( -17.406 -6.235 -0.000) 18.489 15.347 ( 17.406 -6.235 -0.000) 18.489 20.181 ( -35.158 9.918 0.000) 36.530 20.181 ( 35.158 9.918 0.000) 36.530 23.315 ( -11.588 -3.217 -0.000) 12.026 23.315 ( 11.588 -3.217 -0.000) 12.026 23.649 ( -8.811 -2.943 0.000) 9.290 23.649 ( 8.811 -2.943 0.000) 9.290 32.322 ( -0.491 1.157 0.000) 1.257 32.322 ( 0.491 1.157 0.000) 1.257 32.414 ( -0.195 0.402 0.000) 0.447 32.414 ( 0.195 0.402 0.000) 0.447 34.966 ( -6.893 -14.468 -0.000) 16.026 34.966 ( 6.893 -14.468 -0.000) 16.026 35.752 ( -6.028 10.009 0.000) 11.684 35.752 ( 6.028 10.009 0.000) 11.684 ======================= Grid point 427 (137/144) ======================= q-point: ( 0.00 -0.55 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 0.000 -0.000 -26.476) 26.476 1.793 ( 0.000 -0.000 -88.150) 88.150 2.458 ( 0.000 -0.000 -35.940) 35.940 4.094 ( 0.000 -0.000 -6.623) 6.623 5.254 ( 0.000 0.000 5.192) 5.192 5.820 ( 0.000 0.000 7.335) 7.335 5.989 ( 0.000 -0.000 -5.883) 5.883 8.449 ( 0.000 0.000 5.193) 5.193 8.653 ( 0.000 0.000 12.985) 12.985 8.838 ( 0.000 0.000 10.260) 10.260 8.852 ( 0.000 0.000 27.880) 27.880 9.353 ( 0.000 0.000 11.055) 11.055 9.926 ( 0.000 -0.000 -1.707) 1.707 10.220 ( 0.000 -0.000 -0.873) 0.873 10.748 ( 0.000 -0.000 -23.011) 23.011 10.888 ( 0.000 0.000 0.383) 0.383 11.092 ( 0.000 0.000 6.079) 6.079 11.375 ( 0.000 -0.000 -7.943) 7.943 12.077 ( 0.000 0.000 2.108) 2.108 12.733 ( 0.000 -0.000 -7.110) 7.110 14.815 ( 0.000 -0.000 -16.982) 16.982 17.178 ( 0.000 -0.000 -11.318) 11.318 17.877 ( 0.000 0.000 20.073) 20.073 20.591 ( 0.000 0.000 19.765) 19.765 23.134 ( 0.000 -0.000 -0.737) 0.737 23.429 ( 0.000 -0.000 -8.999) 8.999 23.786 ( 0.000 -0.000 -2.504) 2.504 24.326 ( 0.000 -0.000 -3.076) 3.076 32.259 ( 0.000 0.000 0.644) 0.644 32.293 ( 0.000 0.000 0.942) 0.942 32.387 ( 0.000 -0.000 -0.522) 0.522 32.435 ( 0.000 0.000 0.524) 0.524 35.029 ( 0.000 -0.000 -3.167) 3.167 35.291 ( 0.000 0.000 1.782) 1.782 35.454 ( 0.000 -0.000 -1.783) 1.783 35.701 ( 0.000 0.000 3.519) 3.519 ======================= Grid point 429 (138/144) ======================= q-point: ( 0.17 -0.55 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -20.149 -0.000 -19.704) 28.182 1.811 ( 1.725 -0.000 -86.640) 86.657 2.265 ( -13.298 -0.000 -49.681) 51.430 4.189 ( -67.811 0.000 5.065) 68.000 4.214 ( 19.128 -0.000 -2.672) 19.313 6.486 ( 41.578 -0.000 -4.169) 41.786 6.673 ( 46.217 0.000 7.379) 46.802 8.057 ( -36.099 0.000 3.575) 36.276 8.600 ( -4.764 0.000 10.689) 11.703 8.867 ( -0.828 0.000 28.180) 28.192 8.871 ( 2.737 0.000 11.045) 11.379 9.200 ( -4.209 0.000 12.446) 13.138 9.990 ( -7.751 -0.000 -11.187) 13.610 10.175 ( -4.788 -0.000 -0.095) 4.789 10.767 ( 10.346 -0.000 -11.071) 15.152 11.064 ( 12.145 0.000 0.076) 12.145 11.066 ( -2.291 0.000 6.773) 7.150 11.444 ( 7.200 -0.000 -11.076) 13.211 12.045 ( -3.635 -0.000 -1.205) 3.829 12.656 ( -7.698 -0.000 -5.959) 9.735 14.873 ( 6.255 -0.000 -14.900) 16.160 16.682 ( -33.265 -0.000 -2.728) 33.377 18.429 ( 38.595 0.000 11.885) 40.384 20.550 ( -4.921 0.000 18.757) 19.392 23.113 ( -0.801 -0.000 -0.300) 0.855 23.491 ( 5.504 -0.000 -9.298) 10.805 23.733 ( -5.283 -0.000 -1.550) 5.506 24.236 ( -8.427 -0.000 -4.467) 9.538 32.257 ( -0.138 0.000 0.679) 0.693 32.302 ( 0.642 0.000 1.000) 1.188 32.391 ( 0.427 -0.000 -0.608) 0.743 32.431 ( -0.347 0.000 0.488) 0.599 35.065 ( 3.719 -0.000 -2.921) 4.729 35.314 ( 2.128 0.000 1.750) 2.755 35.457 ( 0.282 -0.000 -1.351) 1.380 35.662 ( -3.877 0.000 3.095) 4.961 ======================= Grid point 431 (139/144) ======================= q-point: ( 0.33 -0.55 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -22.876 -0.000 -10.720) 25.263 1.844 ( -0.079 -0.000 -79.321) 79.322 2.109 ( -4.268 -0.000 -68.897) 69.029 2.808 ( -67.422 0.000 0.041) 67.422 4.907 ( 47.076 0.000 2.742) 47.156 7.023 ( -42.752 0.000 6.502) 43.244 7.371 ( 42.251 0.000 2.611) 42.331 7.567 ( 20.412 0.000 6.329) 21.371 8.485 ( -5.829 0.000 5.359) 7.918 8.780 ( -8.190 0.000 22.827) 24.252 8.937 ( 4.106 0.000 10.318) 11.105 9.219 ( 0.208 0.000 12.769) 12.771 9.692 ( -12.658 -0.000 -15.690) 20.160 10.016 ( -11.310 0.000 2.080) 11.500 10.945 ( 4.234 0.000 1.338) 4.440 11.018 ( -2.107 0.000 7.481) 7.772 11.389 ( 18.235 -0.000 -8.417) 20.084 11.677 ( 16.572 -0.000 -7.832) 18.329 11.918 ( -9.032 -0.000 -9.162) 12.866 12.429 ( -14.986 -0.000 -3.337) 15.353 15.087 ( 15.510 -0.000 -9.600) 18.241 16.038 ( -30.420 -0.000 -1.570) 30.461 19.207 ( 37.752 0.000 11.201) 39.379 20.348 ( -16.318 0.000 16.072) 22.904 23.155 ( 5.772 0.000 1.213) 5.898 23.574 ( -10.549 0.000 0.958) 10.592 23.629 ( 8.128 -0.000 -10.163) 13.014 24.028 ( -11.411 -0.000 -7.942) 13.902 32.261 ( 0.645 0.000 0.868) 1.081 32.305 ( -0.589 0.000 1.169) 1.309 32.403 ( 0.672 -0.000 -0.726) 0.989 32.424 ( -0.347 0.000 0.072) 0.354 35.177 ( 7.350 -0.000 -1.850) 7.579 35.361 ( 2.046 0.000 1.486) 2.529 35.459 ( -0.211 -0.000 -0.358) 0.415 35.551 ( -6.814 0.000 1.834) 7.057 ======================= Grid point 433 (140/144) ======================= q-point: (-0.50 -0.55 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -49.517 -0.000 -7.316) 50.054 1.343 ( 49.517 -0.000 -7.315) 50.054 2.060 ( -0.854 -0.000 -70.203) 70.208 2.060 ( 0.854 -0.000 -70.203) 70.208 5.961 ( -55.619 0.000 4.599) 55.809 5.961 ( 55.619 0.000 4.599) 55.809 7.884 ( -0.003 0.000 13.883) 13.883 7.884 ( 0.003 0.000 13.883) 13.883 8.516 ( -9.801 0.000 3.697) 10.475 8.516 ( 9.801 0.000 3.697) 10.475 9.061 ( -3.390 0.000 4.688) 5.785 9.061 ( 3.390 0.000 4.688) 5.785 9.752 ( -6.302 0.000 1.850) 6.567 9.752 ( 6.302 0.000 1.850) 6.567 10.987 ( -0.068 0.000 6.287) 6.287 10.987 ( 0.068 0.000 6.287) 6.287 11.696 ( -6.358 0.000 -14.997) 16.289 11.696 ( 6.358 0.000 -14.997) 16.289 12.069 ( -20.323 -0.000 -1.948) 20.416 12.069 ( 20.323 -0.000 -1.948) 20.416 15.488 ( -23.903 -0.000 -4.254) 24.278 15.488 ( 23.903 -0.000 -4.254) 24.278 19.887 ( -29.214 0.000 13.097) 32.015 19.887 ( 29.214 0.000 13.097) 32.015 23.339 ( -11.730 0.000 2.294) 11.952 23.339 ( 11.730 0.000 2.294) 11.952 23.811 ( -9.637 -0.000 -10.281) 14.091 23.811 ( 9.637 -0.000 -10.281) 14.091 32.282 ( -1.017 0.000 1.158) 1.541 32.282 ( 1.017 0.000 1.158) 1.541 32.416 ( -0.399 0.000 -0.541) 0.672 32.416 ( 0.399 0.000 -0.541) 0.672 35.333 ( -4.637 0.000 0.146) 4.639 35.333 ( 4.637 0.000 0.146) 4.639 35.455 ( -0.102 0.000 0.572) 0.581 35.455 ( 0.102 0.000 0.572) 0.581 ======================= Grid point 441 (141/144) ======================= q-point: ( 0.00 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 0.000 4.851 0.000) 4.851 1.185 ( 0.000 1.507 0.000) 1.507 2.237 ( 0.000 -2.703 -0.000) 2.703 3.924 ( 0.000 -20.376 -0.000) 20.376 5.206 ( 0.000 -16.542 -0.000) 16.542 5.985 ( 0.000 17.969 0.000) 17.969 6.020 ( 0.000 14.707 0.000) 14.707 8.222 ( 0.000 -42.672 -0.000) 42.672 8.398 ( 0.000 -51.478 -0.000) 51.478 9.013 ( 0.000 6.637 0.000) 6.637 9.371 ( 0.000 12.531 0.000) 12.531 9.571 ( 0.000 20.148 0.000) 20.148 9.773 ( 0.000 -13.555 -0.000) 13.555 10.159 ( 0.000 1.188 0.000) 1.188 10.748 ( 0.000 34.725 0.000) 34.725 10.887 ( 0.000 -1.015 -0.000) 1.015 11.061 ( 0.000 -14.591 -0.000) 14.591 11.374 ( 0.000 11.510 0.000) 11.510 12.108 ( 0.000 2.200 0.000) 2.200 12.663 ( 0.000 1.215 0.000) 1.215 14.669 ( 0.000 1.578 0.000) 1.578 17.008 ( 0.000 -13.139 -0.000) 13.139 18.109 ( 0.000 8.002 0.000) 8.002 20.833 ( 0.000 9.935 0.000) 9.935 23.119 ( 0.000 -1.739 -0.000) 1.739 23.325 ( 0.000 -1.971 -0.000) 1.971 23.743 ( 0.000 -1.677 -0.000) 1.677 24.301 ( 0.000 0.141 0.000) 0.141 32.263 ( 0.000 -0.284 -0.000) 0.284 32.308 ( 0.000 0.876 0.000) 0.876 32.382 ( 0.000 0.055 0.000) 0.055 32.439 ( 0.000 0.064 0.000) 0.064 34.939 ( 0.000 -10.601 -0.000) 10.601 35.347 ( 0.000 6.585 0.000) 6.585 35.395 ( 0.000 -7.107 -0.000) 7.107 35.779 ( 0.000 7.365 0.000) 7.365 ======================= Grid point 442 (142/144) ======================= q-point: ( 0.17 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 6.184 4.056 0.000) 7.396 1.126 ( -7.566 1.018 0.000) 7.634 1.871 ( -32.847 -5.627 -0.000) 33.325 3.997 ( -5.506 -20.954 -0.000) 21.665 4.439 ( -35.962 21.131 0.000) 41.711 6.272 ( 40.057 -24.110 -0.000) 46.753 6.900 ( 45.429 21.314 0.000) 50.180 7.959 ( -28.265 -25.726 -0.000) 38.219 8.412 ( -2.264 -43.554 -0.000) 43.613 8.755 ( -8.975 -22.792 -0.000) 24.495 9.336 ( -13.602 0.868 0.000) 13.630 9.547 ( 6.416 31.421 0.000) 32.069 9.719 ( -6.250 -3.669 -0.000) 7.247 10.295 ( -3.716 14.740 0.000) 15.201 10.662 ( 9.268 3.430 0.000) 9.883 11.100 ( 4.398 -6.969 -0.000) 8.240 11.136 ( 13.795 10.503 0.000) 17.339 11.372 ( 1.651 7.982 0.000) 8.151 12.042 ( -6.912 3.577 0.000) 7.783 12.602 ( -6.270 0.992 0.000) 6.348 14.744 ( 7.891 1.048 0.000) 7.961 16.611 ( -29.925 -8.072 -0.000) 30.995 18.569 ( 35.855 3.374 0.000) 36.013 20.781 ( -6.097 9.588 0.000) 11.363 23.101 ( -0.336 -2.183 -0.000) 2.209 23.384 ( 5.098 -1.900 -0.000) 5.440 23.701 ( -4.218 -1.504 -0.000) 4.478 24.197 ( -9.865 -0.024 -0.000) 9.866 32.263 ( 0.072 0.057 0.000) 0.092 32.316 ( 0.668 0.780 0.000) 1.027 32.385 ( 0.345 0.073 0.000) 0.352 32.435 ( -0.417 0.077 0.000) 0.424 34.978 ( 3.959 -10.464 -0.000) 11.188 35.363 ( 0.947 2.373 0.000) 2.555 35.403 ( 1.132 -3.824 -0.000) 3.988 35.743 ( -3.564 8.196 0.000) 8.938 ======================= Grid point 443 (143/144) ======================= q-point: ( 0.33 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 5.039 -0.077 -0.000) 5.039 0.878 ( -2.580 5.938 0.000) 6.474 1.324 ( -15.539 -0.069 -0.000) 15.539 2.888 ( -69.824 12.580 0.000) 70.948 4.923 ( 47.675 -2.879 -0.000) 47.762 6.989 ( -19.018 -17.831 -0.000) 26.069 7.267 ( 12.444 -18.084 -0.000) 21.952 7.671 ( 26.451 -0.290 -0.000) 26.453 8.310 ( -4.954 -33.493 -0.000) 33.857 8.827 ( 10.456 -25.284 -0.000) 27.361 8.964 ( -21.942 -18.365 -0.000) 28.613 9.496 ( -14.360 18.933 0.000) 23.763 9.704 ( 7.727 32.366 0.000) 33.276 10.087 ( -11.423 9.875 0.000) 15.100 10.910 ( 9.917 -8.925 -0.000) 13.342 11.176 ( -2.297 8.483 0.000) 8.788 11.302 ( 10.189 6.566 0.000) 12.121 11.628 ( 21.337 2.612 0.000) 21.496 11.836 ( -13.069 6.675 0.000) 14.675 12.406 ( -13.576 0.863 0.000) 13.603 15.000 ( 17.784 -0.423 -0.000) 17.789 15.999 ( -30.064 -4.720 -0.000) 30.432 19.329 ( 38.254 1.914 0.000) 38.301 20.543 ( -18.641 7.384 0.000) 20.050 23.160 ( 6.918 -1.951 -0.000) 7.187 23.510 ( 6.872 -2.307 -0.000) 7.248 23.575 ( -7.914 -0.579 -0.000) 7.935 23.948 ( -13.783 -0.539 -0.000) 13.794 32.272 ( 0.912 0.516 0.000) 1.048 32.321 ( -0.467 0.768 0.000) 0.899 32.395 ( 0.628 0.119 0.000) 0.639 32.424 ( -0.690 0.104 0.000) 0.698 35.095 ( 7.433 -10.945 -0.000) 13.230 35.349 ( -2.692 -9.584 -0.000) 9.955 35.454 ( 3.608 6.389 0.000) 7.337 35.646 ( -5.709 10.450 0.000) 11.908 ======================= Grid point 444 (144/144) ======================= q-point: (-0.50 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -4.793 4.761 0.000) 6.756 1.013 ( 4.793 4.761 0.000) 6.756 1.560 ( -56.186 13.144 0.000) 57.703 1.560 ( 56.186 13.144 0.000) 57.703 5.982 ( -55.635 -4.417 -0.000) 55.810 5.982 ( 55.635 -4.417 -0.000) 55.810 7.839 ( -11.955 -32.971 -0.000) 35.072 7.839 ( 11.955 -32.971 -0.000) 35.072 8.433 ( -18.234 -16.813 -0.000) 24.802 8.433 ( 18.234 -16.813 -0.000) 24.802 9.163 ( -13.375 7.789 0.000) 15.477 9.163 ( 13.375 7.789 0.000) 15.477 9.878 ( -4.526 17.899 0.000) 18.463 9.878 ( 4.526 17.899 0.000) 18.463 11.070 ( -1.685 -2.361 0.000) 2.901 11.070 ( 1.685 -2.361 0.000) 2.901 11.557 ( -6.562 9.633 0.000) 11.656 11.557 ( 6.562 9.633 0.000) 11.656 12.063 ( -20.079 1.263 0.000) 20.118 12.063 ( 20.079 1.263 0.000) 20.118 15.439 ( -25.274 -2.423 -0.000) 25.389 15.439 ( 25.274 -2.423 -0.000) 25.389 20.036 ( -31.289 3.823 0.000) 31.521 20.036 ( 31.289 3.823 0.000) 31.521 23.359 ( -11.692 -1.073 -0.000) 11.741 23.359 ( 11.692 -1.073 -0.000) 11.741 23.696 ( -10.352 -1.305 -0.000) 10.434 23.696 ( 10.352 -1.305 -0.000) 10.434 32.299 ( -1.158 0.752 0.000) 1.381 32.299 ( 1.158 0.752 0.000) 1.381 32.409 ( -0.562 0.123 0.000) 0.576 32.409 ( 0.562 0.123 0.000) 0.576 35.249 ( -6.499 -12.339 -0.000) 13.946 35.249 ( 6.499 -12.339 -0.000) 13.946 35.537 ( -4.496 10.489 0.000) 11.412 35.537 ( 4.496 10.489 0.000) 11.412 =================== 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 3/26136 10.0 43.461 39.138 54.481 0.000 -0.000 -0.000 3/26136 20.0 27.881 20.229 51.147 0.000 -0.000 0.000 3/26136 30.0 17.735 14.901 43.138 0.000 -0.000 0.000 3/26136 40.0 13.130 13.144 36.242 0.000 -0.000 0.000 3/26136 50.0 10.643 12.325 31.184 0.000 -0.000 0.000 3/26136 60.0 9.123 11.714 27.312 0.000 -0.000 0.000 3/26136 70.0 8.102 11.137 24.231 0.000 -0.000 0.000 3/26136 80.0 7.360 10.568 21.725 0.000 -0.000 0.000 3/26136 90.0 6.787 10.015 19.657 0.000 -0.000 0.000 3/26136 100.0 6.325 9.490 17.930 0.000 -0.000 0.000 3/26136 110.0 5.939 8.998 16.474 0.000 -0.000 0.000 3/26136 120.0 5.609 8.543 15.233 0.000 -0.000 0.000 3/26136 130.0 5.323 8.123 14.167 0.000 -0.000 0.000 3/26136 140.0 5.071 7.737 13.242 0.000 -0.000 0.000 3/26136 150.0 4.847 7.383 12.434 0.000 -0.000 0.000 3/26136 160.0 4.645 7.058 11.721 0.000 -0.000 0.000 3/26136 170.0 4.462 6.758 11.088 0.000 -0.000 0.000 3/26136 180.0 4.296 6.482 10.522 0.000 -0.000 0.000 3/26136 190.0 4.143 6.227 10.014 0.000 -0.000 0.000 3/26136 200.0 4.001 5.991 9.554 0.000 -0.000 0.000 3/26136 210.0 3.870 5.771 9.135 0.000 -0.000 0.000 3/26136 220.0 3.747 5.567 8.753 0.000 -0.000 0.000 3/26136 230.0 3.632 5.376 8.403 0.000 -0.000 0.000 3/26136 240.0 3.525 5.198 8.080 0.000 -0.000 0.000 3/26136 250.0 3.423 5.031 7.781 0.000 -0.000 0.000 3/26136 260.0 3.327 4.874 7.505 0.000 -0.000 0.000 3/26136 270.0 3.236 4.726 7.247 0.000 -0.000 0.000 3/26136 280.0 3.150 4.587 7.007 0.000 -0.000 0.000 3/26136 290.0 3.068 4.455 6.783 0.000 -0.000 0.000 3/26136 300.0 2.990 4.331 6.572 0.000 -0.000 0.000 3/26136 310.0 2.916 4.213 6.375 0.000 -0.000 0.000 3/26136 320.0 2.845 4.101 6.189 0.000 -0.000 0.000 3/26136 330.0 2.778 3.995 6.013 0.000 -0.000 0.000 3/26136 340.0 2.713 3.894 5.847 0.000 -0.000 0.000 3/26136 350.0 2.651 3.798 5.690 0.000 -0.000 0.000 3/26136 360.0 2.592 3.706 5.542 0.000 -0.000 0.000 3/26136 370.0 2.535 3.619 5.401 0.000 -0.000 0.000 3/26136 380.0 2.480 3.535 5.266 0.000 -0.000 0.000 3/26136 390.0 2.427 3.455 5.139 0.000 -0.000 0.000 3/26136 400.0 2.377 3.379 5.017 0.000 -0.000 0.000 3/26136 410.0 2.328 3.306 4.901 0.000 -0.000 0.000 3/26136 420.0 2.282 3.235 4.790 0.000 -0.000 0.000 3/26136 430.0 2.237 3.168 4.684 0.000 -0.000 0.000 3/26136 440.0 2.193 3.103 4.583 0.000 -0.000 0.000 3/26136 450.0 2.152 3.041 4.486 0.000 -0.000 0.000 3/26136 460.0 2.111 2.981 4.393 0.000 -0.000 0.000 3/26136 470.0 2.073 2.924 4.303 0.000 -0.000 0.000 3/26136 480.0 2.035 2.868 4.218 0.000 -0.000 0.000 3/26136 490.0 1.999 2.815 4.135 0.000 -0.000 0.000 3/26136 500.0 1.964 2.763 4.056 0.000 -0.000 0.000 3/26136 510.0 1.930 2.714 3.979 0.000 -0.000 0.000 3/26136 520.0 1.897 2.666 3.906 0.000 -0.000 0.000 3/26136 530.0 1.865 2.619 3.835 0.000 -0.000 0.000 3/26136 540.0 1.834 2.574 3.766 0.000 -0.000 0.000 3/26136 550.0 1.804 2.531 3.700 0.000 -0.000 0.000 3/26136 560.0 1.775 2.489 3.637 0.000 -0.000 0.000 3/26136 570.0 1.747 2.448 3.575 0.000 -0.000 0.000 3/26136 580.0 1.720 2.409 3.515 0.000 -0.000 0.000 3/26136 590.0 1.694 2.371 3.458 0.000 -0.000 0.000 3/26136 600.0 1.668 2.334 3.402 0.000 -0.000 0.000 3/26136 610.0 1.643 2.298 3.348 0.000 -0.000 0.000 3/26136 620.0 1.619 2.263 3.295 0.000 -0.000 0.000 3/26136 630.0 1.595 2.230 3.245 0.000 -0.000 0.000 3/26136 640.0 1.572 2.197 3.195 0.000 -0.000 0.000 3/26136 650.0 1.550 2.165 3.148 0.000 -0.000 0.000 3/26136 660.0 1.529 2.134 3.101 0.000 -0.000 0.000 3/26136 670.0 1.507 2.104 3.056 0.000 -0.000 0.000 3/26136 680.0 1.487 2.075 3.012 0.000 -0.000 0.000 3/26136 690.0 1.467 2.046 2.970 0.000 -0.000 0.000 3/26136 700.0 1.447 2.018 2.929 0.000 -0.000 0.000 3/26136 710.0 1.428 1.991 2.888 0.000 -0.000 0.000 3/26136 720.0 1.410 1.965 2.849 0.000 -0.000 0.000 3/26136 730.0 1.392 1.939 2.811 0.000 -0.000 0.000 3/26136 740.0 1.374 1.914 2.774 0.000 -0.000 0.000 3/26136 750.0 1.357 1.890 2.738 0.000 -0.000 0.000 3/26136 760.0 1.340 1.866 2.702 0.000 -0.000 0.000 3/26136 770.0 1.324 1.843 2.668 0.000 -0.000 0.000 3/26136 780.0 1.308 1.820 2.635 0.000 -0.000 0.000 3/26136 790.0 1.292 1.798 2.602 0.000 -0.000 0.000 3/26136 800.0 1.277 1.777 2.570 0.000 -0.000 0.000 3/26136 810.0 1.262 1.756 2.539 0.000 -0.000 0.000 3/26136 820.0 1.248 1.735 2.509 0.000 -0.000 0.000 3/26136 830.0 1.233 1.715 2.479 0.000 -0.000 0.000 3/26136 840.0 1.219 1.695 2.450 0.000 -0.000 0.000 3/26136 850.0 1.206 1.676 2.422 0.000 -0.000 0.000 3/26136 860.0 1.193 1.657 2.394 0.000 -0.000 0.000 3/26136 870.0 1.179 1.639 2.367 0.000 -0.000 0.000 3/26136 880.0 1.167 1.621 2.341 0.000 -0.000 0.000 3/26136 890.0 1.154 1.603 2.315 0.000 -0.000 0.000 3/26136 900.0 1.142 1.586 2.289 0.000 -0.000 0.000 3/26136 910.0 1.130 1.569 2.265 0.000 -0.000 0.000 3/26136 920.0 1.118 1.553 2.240 0.000 -0.000 0.000 3/26136 930.0 1.107 1.537 2.217 0.000 -0.000 0.000 3/26136 940.0 1.095 1.521 2.194 0.000 -0.000 0.000 3/26136 950.0 1.084 1.505 2.171 0.000 -0.000 0.000 3/26136 960.0 1.074 1.490 2.149 0.000 -0.000 0.000 3/26136 970.0 1.063 1.475 2.127 0.000 -0.000 0.000 3/26136 980.0 1.052 1.461 2.105 0.000 -0.000 0.000 3/26136 990.0 1.042 1.446 2.084 0.000 -0.000 0.000 3/26136 1000.0 1.032 1.432 2.064 0.000 -0.000 0.000 3/26136 Thermal conductivity related properties were written into "kappa-m61111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:14:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|