----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:33:04]------------------------- 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: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.569105300000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.256284840000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.421203490000002 Atomic positions (fractional): *1 Ca 0.75358260949274 0.75000000000000 0.14928379394955 40.078 2 Ca 0.24641739050726 0.25000000000000 0.85071620605045 40.078 3 Ca 0.25358260949274 0.75000000000000 0.35071620605045 40.078 4 Ca 0.74641739050726 0.25000000000000 0.64928379394955 40.078 *5 Lu 0.42383574457647 0.75000000000000 0.61074855611202 174.967 6 Lu 0.57616425542353 0.25000000000000 0.38925144388798 174.967 7 Lu 0.92383574457647 0.75000000000000 0.88925144388798 174.967 8 Lu 0.07616425542353 0.25000000000000 0.11074855611202 174.967 *9 Lu 0.42073641918921 0.75000000000000 0.11226295795796 174.967 10 Lu 0.57926358081079 0.25000000000000 0.88773704204204 174.967 11 Lu 0.92073641918921 0.75000000000000 0.38773704204205 174.967 12 Lu 0.07926358081079 0.25000000000000 0.61226295795796 174.967 *13 O 0.21362397187021 0.75000000000000 0.68121580688201 15.999 14 O 0.78637602812979 0.25000000000000 0.31878419311799 15.999 15 O 0.71362397187021 0.75000000000000 0.81878419311799 15.999 16 O 0.28637602812979 0.25000000000000 0.18121580688201 15.999 *17 O 0.13142197373391 0.75000000000000 0.97983961917120 15.999 18 O 0.86857802626609 0.25000000000000 0.02016038082880 15.999 19 O 0.63142197373391 0.75000000000000 0.52016038082880 15.999 20 O 0.36857802626609 0.25000000000000 0.47983961917120 15.999 *21 O 0.50847428564536 0.75000000000000 0.28561477823339 15.999 22 O 0.49152571435464 0.25000000000000 0.71438522176661 15.999 23 O 0.00847428564536 0.75000000000000 0.21438522176661 15.999 24 O 0.99152571435464 0.25000000000000 0.78561477823339 15.999 *25 O 0.42330101548356 0.75000000000000 0.91982968826339 15.999 26 O 0.57669898451644 0.25000000000000 0.08017031173661 15.999 27 O 0.92330101548356 0.75000000000000 0.58017031173661 15.999 28 O 0.07669898451644 0.25000000000000 0.41982968826339 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.569105300000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.256284840000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.421203490000002 Atomic positions (fractional): *1 Ca 0.75358260949274 0.75000000000000 0.14928379394955 40.078 > 1 2 Ca 0.24641739050726 0.25000000000000 0.85071620605045 40.078 > 2 3 Ca 0.25358260949274 0.75000000000000 0.35071620605045 40.078 > 3 4 Ca 0.74641739050726 0.25000000000000 0.64928379394955 40.078 > 4 *5 Lu 0.42383574457647 0.75000000000000 0.61074855611202 174.967 > 5 6 Lu 0.57616425542353 0.25000000000000 0.38925144388798 174.967 > 6 7 Lu 0.92383574457647 0.75000000000000 0.88925144388798 174.967 > 7 8 Lu 0.07616425542353 0.25000000000000 0.11074855611202 174.967 > 8 *9 Lu 0.42073641918921 0.75000000000000 0.11226295795796 174.967 > 9 10 Lu 0.57926358081079 0.25000000000000 0.88773704204204 174.967 > 10 11 Lu 0.92073641918921 0.75000000000000 0.38773704204205 174.967 > 11 12 Lu 0.07926358081079 0.25000000000000 0.61226295795796 174.967 > 12 *13 O 0.21362397187021 0.75000000000000 0.68121580688201 15.999 > 13 14 O 0.78637602812979 0.25000000000000 0.31878419311799 15.999 > 14 15 O 0.71362397187021 0.75000000000000 0.81878419311799 15.999 > 15 16 O 0.28637602812979 0.25000000000000 0.18121580688201 15.999 > 16 *17 O 0.13142197373391 0.75000000000000 0.97983961917120 15.999 > 17 18 O 0.86857802626609 0.25000000000000 0.02016038082880 15.999 > 18 19 O 0.63142197373391 0.75000000000000 0.52016038082880 15.999 > 19 20 O 0.36857802626609 0.25000000000000 0.47983961917120 15.999 > 20 *21 O 0.50847428564536 0.75000000000000 0.28561477823339 15.999 > 21 22 O 0.49152571435464 0.25000000000000 0.71438522176661 15.999 > 22 23 O 0.00847428564536 0.75000000000000 0.21438522176661 15.999 > 23 24 O 0.99152571435464 0.25000000000000 0.78561477823339 15.999 > 24 *25 O 0.42330101548356 0.75000000000000 0.91982968826339 15.999 > 25 26 O 0.57669898451644 0.25000000000000 0.08017031173661 15.999 > 26 27 O 0.92330101548356 0.75000000000000 0.58017031173661 15.999 > 27 28 O 0.07669898451644 0.25000000000000 0.41982968826339 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.569105300000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.768854520000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.421203490000002 Atomic positions (fractional): *1 Ca 0.75358260949274 0.25000000000000 0.14928379394955 40.078 > 1 2 Ca 0.75358260949274 0.58333333333333 0.14928379394955 40.078 > 1 3 Ca 0.75358260949274 0.91666666666667 0.14928379394955 40.078 > 1 4 Ca 0.24641739050726 0.08333333333333 0.85071620605045 40.078 > 2 5 Ca 0.24641739050726 0.41666666666667 0.85071620605045 40.078 > 2 6 Ca 0.24641739050726 0.75000000000000 0.85071620605045 40.078 > 2 7 Ca 0.25358260949274 0.25000000000000 0.35071620605045 40.078 > 3 8 Ca 0.25358260949274 0.58333333333333 0.35071620605045 40.078 > 3 9 Ca 0.25358260949274 0.91666666666667 0.35071620605045 40.078 > 3 10 Ca 0.74641739050726 0.08333333333333 0.64928379394955 40.078 > 4 11 Ca 0.74641739050726 0.41666666666667 0.64928379394955 40.078 > 4 12 Ca 0.74641739050726 0.75000000000000 0.64928379394955 40.078 > 4 *13 Lu 0.42383574457647 0.25000000000000 0.61074855611202 174.967 > 5 14 Lu 0.42383574457647 0.58333333333333 0.61074855611202 174.967 > 5 15 Lu 0.42383574457647 0.91666666666667 0.61074855611202 174.967 > 5 16 Lu 0.57616425542353 0.08333333333333 0.38925144388798 174.967 > 6 17 Lu 0.57616425542353 0.41666666666667 0.38925144388798 174.967 > 6 18 Lu 0.57616425542353 0.75000000000000 0.38925144388798 174.967 > 6 19 Lu 0.92383574457647 0.25000000000000 0.88925144388798 174.967 > 7 20 Lu 0.92383574457647 0.58333333333333 0.88925144388798 174.967 > 7 21 Lu 0.92383574457647 0.91666666666667 0.88925144388798 174.967 > 7 22 Lu 0.07616425542353 0.08333333333333 0.11074855611202 174.967 > 8 23 Lu 0.07616425542353 0.41666666666667 0.11074855611202 174.967 > 8 24 Lu 0.07616425542353 0.75000000000000 0.11074855611202 174.967 > 8 *25 Lu 0.42073641918921 0.25000000000000 0.11226295795796 174.967 > 9 26 Lu 0.42073641918921 0.58333333333333 0.11226295795796 174.967 > 9 27 Lu 0.42073641918921 0.91666666666667 0.11226295795796 174.967 > 9 28 Lu 0.57926358081079 0.08333333333333 0.88773704204204 174.967 > 10 29 Lu 0.57926358081079 0.41666666666667 0.88773704204204 174.967 > 10 30 Lu 0.57926358081079 0.75000000000000 0.88773704204204 174.967 > 10 31 Lu 0.92073641918921 0.25000000000000 0.38773704204205 174.967 > 11 32 Lu 0.92073641918921 0.58333333333333 0.38773704204205 174.967 > 11 33 Lu 0.92073641918921 0.91666666666667 0.38773704204205 174.967 > 11 34 Lu 0.07926358081079 0.08333333333333 0.61226295795796 174.967 > 12 35 Lu 0.07926358081079 0.41666666666667 0.61226295795796 174.967 > 12 36 Lu 0.07926358081079 0.75000000000000 0.61226295795796 174.967 > 12 *37 O 0.21362397187021 0.25000000000000 0.68121580688201 15.999 > 13 38 O 0.21362397187021 0.58333333333333 0.68121580688201 15.999 > 13 39 O 0.21362397187021 0.91666666666667 0.68121580688201 15.999 > 13 40 O 0.78637602812979 0.08333333333333 0.31878419311799 15.999 > 14 41 O 0.78637602812979 0.41666666666667 0.31878419311799 15.999 > 14 42 O 0.78637602812979 0.75000000000000 0.31878419311799 15.999 > 14 43 O 0.71362397187021 0.25000000000000 0.81878419311799 15.999 > 15 44 O 0.71362397187021 0.58333333333333 0.81878419311799 15.999 > 15 45 O 0.71362397187021 0.91666666666667 0.81878419311799 15.999 > 15 46 O 0.28637602812979 0.08333333333333 0.18121580688201 15.999 > 16 47 O 0.28637602812979 0.41666666666667 0.18121580688201 15.999 > 16 48 O 0.28637602812979 0.75000000000000 0.18121580688201 15.999 > 16 *49 O 0.13142197373391 0.25000000000000 0.97983961917120 15.999 > 17 50 O 0.13142197373391 0.58333333333333 0.97983961917120 15.999 > 17 51 O 0.13142197373391 0.91666666666667 0.97983961917120 15.999 > 17 52 O 0.86857802626609 0.08333333333333 0.02016038082880 15.999 > 18 53 O 0.86857802626609 0.41666666666667 0.02016038082880 15.999 > 18 54 O 0.86857802626609 0.75000000000000 0.02016038082880 15.999 > 18 55 O 0.63142197373391 0.25000000000000 0.52016038082880 15.999 > 19 56 O 0.63142197373391 0.58333333333333 0.52016038082880 15.999 > 19 57 O 0.63142197373391 0.91666666666667 0.52016038082880 15.999 > 19 58 O 0.36857802626609 0.08333333333333 0.47983961917120 15.999 > 20 59 O 0.36857802626609 0.41666666666667 0.47983961917120 15.999 > 20 60 O 0.36857802626609 0.75000000000000 0.47983961917120 15.999 > 20 *61 O 0.50847428564536 0.25000000000000 0.28561477823339 15.999 > 21 62 O 0.50847428564536 0.58333333333333 0.28561477823339 15.999 > 21 63 O 0.50847428564536 0.91666666666667 0.28561477823339 15.999 > 21 64 O 0.49152571435464 0.08333333333333 0.71438522176661 15.999 > 22 65 O 0.49152571435464 0.41666666666667 0.71438522176661 15.999 > 22 66 O 0.49152571435464 0.75000000000000 0.71438522176661 15.999 > 22 67 O 0.00847428564536 0.25000000000000 0.21438522176661 15.999 > 23 68 O 0.00847428564536 0.58333333333333 0.21438522176661 15.999 > 23 69 O 0.00847428564536 0.91666666666667 0.21438522176661 15.999 > 23 70 O 0.99152571435464 0.08333333333333 0.78561477823339 15.999 > 24 71 O 0.99152571435464 0.41666666666667 0.78561477823339 15.999 > 24 72 O 0.99152571435464 0.75000000000000 0.78561477823339 15.999 > 24 *73 O 0.42330101548356 0.25000000000000 0.91982968826339 15.999 > 25 74 O 0.42330101548356 0.58333333333333 0.91982968826339 15.999 > 25 75 O 0.42330101548356 0.91666666666667 0.91982968826339 15.999 > 25 76 O 0.57669898451644 0.08333333333333 0.08017031173661 15.999 > 26 77 O 0.57669898451644 0.41666666666667 0.08017031173661 15.999 > 26 78 O 0.57669898451644 0.75000000000000 0.08017031173661 15.999 > 26 79 O 0.92330101548356 0.25000000000000 0.58017031173661 15.999 > 27 80 O 0.92330101548356 0.58333333333333 0.58017031173661 15.999 > 27 81 O 0.92330101548356 0.91666666666667 0.58017031173661 15.999 > 27 82 O 0.07669898451644 0.08333333333333 0.41982968826339 15.999 > 28 83 O 0.07669898451644 0.41666666666667 0.41982968826339 15.999 > 28 84 O 0.07669898451644 0.75000000000000 0.41982968826339 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0801221 0.0000000 0.0000000 0.0000000 4.3035825 0.0000000 0.0000000 0.0000000 4.1639531 -------------------------- Born effective charges -------------------------- 1 Ca 2.5811032 0.0000000 -0.0415958 0.0000000 2.3683910 0.0000000 -0.0381976 0.0000000 2.4241254 2 Ca 2.5811032 0.0000000 -0.0415958 0.0000000 2.3683910 0.0000000 -0.0381976 0.0000000 2.4241254 3 Ca 2.5811032 0.0000000 0.0415958 0.0000000 2.3683910 0.0000000 0.0381976 0.0000000 2.4241254 4 Ca 2.5811032 0.0000000 0.0415958 0.0000000 2.3683910 0.0000000 0.0381976 0.0000000 2.4241254 5 Lu 3.4144077 0.0000000 -0.1793557 0.0000000 4.0813527 0.0000000 -0.0778461 0.0000000 3.4541861 6 Lu 3.4144077 0.0000000 -0.1793557 0.0000000 4.0813527 0.0000000 -0.0778461 0.0000000 3.4541861 7 Lu 3.4144077 0.0000000 0.1793557 0.0000000 4.0813527 0.0000000 0.0778461 0.0000000 3.4541861 8 Lu 3.4144077 0.0000000 0.1793557 0.0000000 4.0813527 0.0000000 0.0778461 0.0000000 3.4541861 9 Lu 3.3890480 0.0000000 -0.1657099 0.0000000 3.8748143 0.0000000 -0.0590964 0.0000000 3.9192750 10 Lu 3.3890480 0.0000000 -0.1657099 0.0000000 3.8748143 0.0000000 -0.0590964 0.0000000 3.9192750 11 Lu 3.3890480 0.0000000 0.1657099 0.0000000 3.8748143 0.0000000 0.0590964 0.0000000 3.9192750 12 Lu 3.3890480 0.0000000 0.1657099 0.0000000 3.8748143 0.0000000 0.0590964 0.0000000 3.9192750 13 O -2.7828058 0.0000000 -0.0256815 0.0000000 -2.5833201 0.0000000 -0.0360731 0.0000000 -2.0407743 14 O -2.7828058 0.0000000 -0.0256815 0.0000000 -2.5833201 0.0000000 -0.0360731 0.0000000 -2.0407743 15 O -2.7828058 0.0000000 0.0256815 0.0000000 -2.5833201 0.0000000 0.0360731 0.0000000 -2.0407743 16 O -2.7828058 0.0000000 0.0256815 0.0000000 -2.5833201 0.0000000 0.0360731 0.0000000 -2.0407743 17 O -2.3248492 0.0000000 0.0256168 0.0000000 -2.5683441 0.0000000 -0.0323974 0.0000000 -2.4370478 18 O -2.3248492 0.0000000 0.0256168 0.0000000 -2.5683441 0.0000000 -0.0323974 0.0000000 -2.4370478 19 O -2.3248492 0.0000000 -0.0256168 0.0000000 -2.5683441 0.0000000 0.0323974 0.0000000 -2.4370478 20 O -2.3248492 0.0000000 -0.0256168 0.0000000 -2.5683441 0.0000000 0.0323974 0.0000000 -2.4370478 21 O -1.9513689 0.0000000 -0.4080984 0.0000000 -2.5507453 0.0000000 -0.5524641 0.0000000 -2.9414467 22 O -1.9513689 0.0000000 -0.4080984 0.0000000 -2.5507453 0.0000000 -0.5524641 0.0000000 -2.9414467 23 O -1.9513689 0.0000000 0.4080984 0.0000000 -2.5507453 0.0000000 0.5524641 0.0000000 -2.9414467 24 O -1.9513689 0.0000000 0.4080984 0.0000000 -2.5507453 0.0000000 0.5524641 0.0000000 -2.9414467 25 O -2.3255349 0.0000000 0.0098539 0.0000000 -2.6221486 0.0000000 0.1212495 0.0000000 -2.3783176 26 O -2.3255349 0.0000000 0.0098539 0.0000000 -2.6221486 0.0000000 0.1212495 0.0000000 -2.3783176 27 O -2.3255349 0.0000000 -0.0098539 0.0000000 -2.6221486 0.0000000 -0.1212495 0.0000000 -2.3783176 28 O -2.3255349 0.0000000 -0.0098539 0.0000000 -2.6221486 0.0000000 -0.1212495 0.0000000 -2.3783176 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 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: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 1.410 Solver_block: 200 / 480 - Time: 1.402 Solver_block: 300 / 480 - Time: 1.402 Solver_block: 400 / 480 - Time: 1.400 Solver_block: 480 / 480 - Time: 1.154 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.800 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 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: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:33:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:33:26]------------------------- 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): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.569105300000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.256284840000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.421203490000002 Atomic positions (fractional): 1 Ca 0.75358260949274 0.75000000000000 0.14928379394955 40.078 2 Ca 0.24641739050726 0.25000000000000 0.85071620605045 40.078 3 Ca 0.25358260949274 0.75000000000000 0.35071620605045 40.078 4 Ca 0.74641739050726 0.25000000000000 0.64928379394955 40.078 5 Lu 0.42383574457647 0.75000000000000 0.61074855611202 174.967 6 Lu 0.57616425542353 0.25000000000000 0.38925144388798 174.967 7 Lu 0.92383574457647 0.75000000000000 0.88925144388798 174.967 8 Lu 0.07616425542353 0.25000000000000 0.11074855611202 174.967 9 Lu 0.42073641918921 0.75000000000000 0.11226295795796 174.967 10 Lu 0.57926358081079 0.25000000000000 0.88773704204204 174.967 11 Lu 0.92073641918921 0.75000000000000 0.38773704204205 174.967 12 Lu 0.07926358081079 0.25000000000000 0.61226295795796 174.967 13 O 0.21362397187021 0.75000000000000 0.68121580688201 15.999 14 O 0.78637602812979 0.25000000000000 0.31878419311799 15.999 15 O 0.71362397187021 0.75000000000000 0.81878419311799 15.999 16 O 0.28637602812979 0.25000000000000 0.18121580688201 15.999 17 O 0.13142197373391 0.75000000000000 0.97983961917120 15.999 18 O 0.86857802626609 0.25000000000000 0.02016038082880 15.999 19 O 0.63142197373391 0.75000000000000 0.52016038082880 15.999 20 O 0.36857802626609 0.25000000000000 0.47983961917120 15.999 21 O 0.50847428564536 0.75000000000000 0.28561477823339 15.999 22 O 0.49152571435464 0.25000000000000 0.71438522176661 15.999 23 O 0.00847428564536 0.75000000000000 0.21438522176661 15.999 24 O 0.99152571435464 0.25000000000000 0.78561477823339 15.999 25 O 0.42330101548356 0.75000000000000 0.91982968826339 15.999 26 O 0.57669898451644 0.25000000000000 0.08017031173661 15.999 27 O 0.92330101548356 0.75000000000000 0.58017031173661 15.999 28 O 0.07669898451644 0.25000000000000 0.41982968826339 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.569105300000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.768854520000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.421203490000002 Atomic positions (fractional): 1 Ca 0.75358260949274 0.25000000000000 0.14928379394955 40.078 > 1 2 Ca 0.75358260949274 0.58333333333333 0.14928379394955 40.078 > 1 3 Ca 0.75358260949274 0.91666666666667 0.14928379394955 40.078 > 1 4 Ca 0.24641739050726 0.08333333333333 0.85071620605045 40.078 > 4 5 Ca 0.24641739050726 0.41666666666667 0.85071620605045 40.078 > 4 6 Ca 0.24641739050726 0.75000000000000 0.85071620605045 40.078 > 4 7 Ca 0.25358260949274 0.25000000000000 0.35071620605045 40.078 > 7 8 Ca 0.25358260949274 0.58333333333333 0.35071620605045 40.078 > 7 9 Ca 0.25358260949274 0.91666666666667 0.35071620605045 40.078 > 7 10 Ca 0.74641739050726 0.08333333333333 0.64928379394955 40.078 > 10 11 Ca 0.74641739050726 0.41666666666667 0.64928379394955 40.078 > 10 12 Ca 0.74641739050726 0.75000000000000 0.64928379394955 40.078 > 10 13 Lu 0.42383574457647 0.25000000000000 0.61074855611202 174.967 > 13 14 Lu 0.42383574457647 0.58333333333333 0.61074855611202 174.967 > 13 15 Lu 0.42383574457647 0.91666666666667 0.61074855611202 174.967 > 13 16 Lu 0.57616425542353 0.08333333333333 0.38925144388798 174.967 > 16 17 Lu 0.57616425542353 0.41666666666667 0.38925144388798 174.967 > 16 18 Lu 0.57616425542353 0.75000000000000 0.38925144388798 174.967 > 16 19 Lu 0.92383574457647 0.25000000000000 0.88925144388798 174.967 > 19 20 Lu 0.92383574457647 0.58333333333333 0.88925144388798 174.967 > 19 21 Lu 0.92383574457647 0.91666666666667 0.88925144388798 174.967 > 19 22 Lu 0.07616425542353 0.08333333333333 0.11074855611202 174.967 > 22 23 Lu 0.07616425542353 0.41666666666667 0.11074855611202 174.967 > 22 24 Lu 0.07616425542353 0.75000000000000 0.11074855611202 174.967 > 22 25 Lu 0.42073641918921 0.25000000000000 0.11226295795796 174.967 > 25 26 Lu 0.42073641918921 0.58333333333333 0.11226295795796 174.967 > 25 27 Lu 0.42073641918921 0.91666666666667 0.11226295795796 174.967 > 25 28 Lu 0.57926358081079 0.08333333333333 0.88773704204204 174.967 > 28 29 Lu 0.57926358081079 0.41666666666667 0.88773704204204 174.967 > 28 30 Lu 0.57926358081079 0.75000000000000 0.88773704204204 174.967 > 28 31 Lu 0.92073641918921 0.25000000000000 0.38773704204205 174.967 > 31 32 Lu 0.92073641918921 0.58333333333333 0.38773704204205 174.967 > 31 33 Lu 0.92073641918921 0.91666666666667 0.38773704204205 174.967 > 31 34 Lu 0.07926358081079 0.08333333333333 0.61226295795796 174.967 > 34 35 Lu 0.07926358081079 0.41666666666667 0.61226295795796 174.967 > 34 36 Lu 0.07926358081079 0.75000000000000 0.61226295795796 174.967 > 34 37 O 0.21362397187021 0.25000000000000 0.68121580688201 15.999 > 37 38 O 0.21362397187021 0.58333333333333 0.68121580688201 15.999 > 37 39 O 0.21362397187021 0.91666666666667 0.68121580688201 15.999 > 37 40 O 0.78637602812979 0.08333333333333 0.31878419311799 15.999 > 40 41 O 0.78637602812979 0.41666666666667 0.31878419311799 15.999 > 40 42 O 0.78637602812979 0.75000000000000 0.31878419311799 15.999 > 40 43 O 0.71362397187021 0.25000000000000 0.81878419311799 15.999 > 43 44 O 0.71362397187021 0.58333333333333 0.81878419311799 15.999 > 43 45 O 0.71362397187021 0.91666666666667 0.81878419311799 15.999 > 43 46 O 0.28637602812979 0.08333333333333 0.18121580688201 15.999 > 46 47 O 0.28637602812979 0.41666666666667 0.18121580688201 15.999 > 46 48 O 0.28637602812979 0.75000000000000 0.18121580688201 15.999 > 46 49 O 0.13142197373391 0.25000000000000 0.97983961917120 15.999 > 49 50 O 0.13142197373391 0.58333333333333 0.97983961917120 15.999 > 49 51 O 0.13142197373391 0.91666666666667 0.97983961917120 15.999 > 49 52 O 0.86857802626609 0.08333333333333 0.02016038082880 15.999 > 52 53 O 0.86857802626609 0.41666666666667 0.02016038082880 15.999 > 52 54 O 0.86857802626609 0.75000000000000 0.02016038082880 15.999 > 52 55 O 0.63142197373391 0.25000000000000 0.52016038082880 15.999 > 55 56 O 0.63142197373391 0.58333333333333 0.52016038082880 15.999 > 55 57 O 0.63142197373391 0.91666666666667 0.52016038082880 15.999 > 55 58 O 0.36857802626609 0.08333333333333 0.47983961917120 15.999 > 58 59 O 0.36857802626609 0.41666666666667 0.47983961917120 15.999 > 58 60 O 0.36857802626609 0.75000000000000 0.47983961917120 15.999 > 58 61 O 0.50847428564536 0.25000000000000 0.28561477823339 15.999 > 61 62 O 0.50847428564536 0.58333333333333 0.28561477823339 15.999 > 61 63 O 0.50847428564536 0.91666666666667 0.28561477823339 15.999 > 61 64 O 0.49152571435464 0.08333333333333 0.71438522176661 15.999 > 64 65 O 0.49152571435464 0.41666666666667 0.71438522176661 15.999 > 64 66 O 0.49152571435464 0.75000000000000 0.71438522176661 15.999 > 64 67 O 0.00847428564536 0.25000000000000 0.21438522176661 15.999 > 67 68 O 0.00847428564536 0.58333333333333 0.21438522176661 15.999 > 67 69 O 0.00847428564536 0.91666666666667 0.21438522176661 15.999 > 67 70 O 0.99152571435464 0.08333333333333 0.78561477823339 15.999 > 70 71 O 0.99152571435464 0.41666666666667 0.78561477823339 15.999 > 70 72 O 0.99152571435464 0.75000000000000 0.78561477823339 15.999 > 70 73 O 0.42330101548356 0.25000000000000 0.91982968826339 15.999 > 73 74 O 0.42330101548356 0.58333333333333 0.91982968826339 15.999 > 73 75 O 0.42330101548356 0.91666666666667 0.91982968826339 15.999 > 73 76 O 0.57669898451644 0.08333333333333 0.08017031173661 15.999 > 76 77 O 0.57669898451644 0.41666666666667 0.08017031173661 15.999 > 76 78 O 0.57669898451644 0.75000000000000 0.08017031173661 15.999 > 76 79 O 0.92330101548356 0.25000000000000 0.58017031173661 15.999 > 79 80 O 0.92330101548356 0.58333333333333 0.58017031173661 15.999 > 79 81 O 0.92330101548356 0.91666666666667 0.58017031173661 15.999 > 79 82 O 0.07669898451644 0.08333333333333 0.41982968826339 15.999 > 82 83 O 0.07669898451644 0.41666666666667 0.41982968826339 15.999 > 82 84 O 0.07669898451644 0.75000000000000 0.41982968826339 15.999 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0801221 0.0000000 0.0000000 0.0000000 4.3035825 0.0000000 0.0000000 0.0000000 4.1639531 -------------------------- Born effective charges -------------------------- 1 Ca 2.5811032 0.0000000 -0.0415958 0.0000000 2.3683910 0.0000000 -0.0381976 0.0000000 2.4241254 2 Ca 2.5811032 0.0000000 -0.0415958 0.0000000 2.3683910 0.0000000 -0.0381976 0.0000000 2.4241254 3 Ca 2.5811032 0.0000000 0.0415958 0.0000000 2.3683910 0.0000000 0.0381976 0.0000000 2.4241254 4 Ca 2.5811032 0.0000000 0.0415958 0.0000000 2.3683910 0.0000000 0.0381976 0.0000000 2.4241254 5 Lu 3.4144077 0.0000000 -0.1793557 0.0000000 4.0813527 0.0000000 -0.0778461 0.0000000 3.4541861 6 Lu 3.4144077 0.0000000 -0.1793557 0.0000000 4.0813527 0.0000000 -0.0778461 0.0000000 3.4541861 7 Lu 3.4144077 0.0000000 0.1793557 0.0000000 4.0813527 0.0000000 0.0778461 0.0000000 3.4541861 8 Lu 3.4144077 0.0000000 0.1793557 0.0000000 4.0813527 0.0000000 0.0778461 0.0000000 3.4541861 9 Lu 3.3890480 0.0000000 -0.1657099 0.0000000 3.8748143 0.0000000 -0.0590964 0.0000000 3.9192750 10 Lu 3.3890480 0.0000000 -0.1657099 0.0000000 3.8748143 0.0000000 -0.0590964 0.0000000 3.9192750 11 Lu 3.3890480 0.0000000 0.1657099 0.0000000 3.8748143 0.0000000 0.0590964 0.0000000 3.9192750 12 Lu 3.3890480 0.0000000 0.1657099 0.0000000 3.8748143 0.0000000 0.0590964 0.0000000 3.9192750 13 O -2.7828058 0.0000000 -0.0256815 0.0000000 -2.5833201 0.0000000 -0.0360731 0.0000000 -2.0407743 14 O -2.7828058 0.0000000 -0.0256815 0.0000000 -2.5833201 0.0000000 -0.0360731 0.0000000 -2.0407743 15 O -2.7828058 0.0000000 0.0256815 0.0000000 -2.5833201 0.0000000 0.0360731 0.0000000 -2.0407743 16 O -2.7828058 0.0000000 0.0256815 0.0000000 -2.5833201 0.0000000 0.0360731 0.0000000 -2.0407743 17 O -2.3248492 0.0000000 0.0256168 0.0000000 -2.5683441 0.0000000 -0.0323974 0.0000000 -2.4370478 18 O -2.3248492 0.0000000 0.0256168 0.0000000 -2.5683441 0.0000000 -0.0323974 0.0000000 -2.4370478 19 O -2.3248492 0.0000000 -0.0256168 0.0000000 -2.5683441 0.0000000 0.0323974 0.0000000 -2.4370478 20 O -2.3248492 0.0000000 -0.0256168 0.0000000 -2.5683441 0.0000000 0.0323974 0.0000000 -2.4370478 21 O -1.9513689 0.0000000 -0.4080984 0.0000000 -2.5507453 0.0000000 -0.5524641 0.0000000 -2.9414467 22 O -1.9513689 0.0000000 -0.4080984 0.0000000 -2.5507453 0.0000000 -0.5524641 0.0000000 -2.9414467 23 O -1.9513689 0.0000000 0.4080984 0.0000000 -2.5507453 0.0000000 0.5524641 0.0000000 -2.9414467 24 O -1.9513689 0.0000000 0.4080984 0.0000000 -2.5507453 0.0000000 0.5524641 0.0000000 -2.9414467 25 O -2.3255349 0.0000000 0.0098539 0.0000000 -2.6221486 0.0000000 0.1212495 0.0000000 -2.3783176 26 O -2.3255349 0.0000000 0.0098539 0.0000000 -2.6221486 0.0000000 0.1212495 0.0000000 -2.3783176 27 O -2.3255349 0.0000000 -0.0098539 0.0000000 -2.6221486 0.0000000 -0.1212495 0.0000000 -2.3783176 28 O -2.3255349 0.0000000 -0.0098539 0.0000000 -2.6221486 0.0000000 -0.1212495 0.0000000 -2.3783176 ---------------------------------------------------------------------------- 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[ 13, 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[ 25, 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[ 49, 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[ 61, 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[ 73, 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: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) 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 09:33:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:33:42]------------------------- 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): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.569105300000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.256284840000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.421203490000002 Atomic positions (fractional): 1 Ca 0.75358260949274 0.75000000000000 0.14928379394955 40.078 2 Ca 0.24641739050726 0.25000000000000 0.85071620605045 40.078 3 Ca 0.25358260949274 0.75000000000000 0.35071620605045 40.078 4 Ca 0.74641739050726 0.25000000000000 0.64928379394955 40.078 5 Lu 0.42383574457647 0.75000000000000 0.61074855611202 174.967 6 Lu 0.57616425542353 0.25000000000000 0.38925144388798 174.967 7 Lu 0.92383574457647 0.75000000000000 0.88925144388798 174.967 8 Lu 0.07616425542353 0.25000000000000 0.11074855611202 174.967 9 Lu 0.42073641918921 0.75000000000000 0.11226295795796 174.967 10 Lu 0.57926358081079 0.25000000000000 0.88773704204204 174.967 11 Lu 0.92073641918921 0.75000000000000 0.38773704204205 174.967 12 Lu 0.07926358081079 0.25000000000000 0.61226295795796 174.967 13 O 0.21362397187021 0.75000000000000 0.68121580688201 15.999 14 O 0.78637602812979 0.25000000000000 0.31878419311799 15.999 15 O 0.71362397187021 0.75000000000000 0.81878419311799 15.999 16 O 0.28637602812979 0.25000000000000 0.18121580688201 15.999 17 O 0.13142197373391 0.75000000000000 0.97983961917120 15.999 18 O 0.86857802626609 0.25000000000000 0.02016038082880 15.999 19 O 0.63142197373391 0.75000000000000 0.52016038082880 15.999 20 O 0.36857802626609 0.25000000000000 0.47983961917120 15.999 21 O 0.50847428564536 0.75000000000000 0.28561477823339 15.999 22 O 0.49152571435464 0.25000000000000 0.71438522176661 15.999 23 O 0.00847428564536 0.75000000000000 0.21438522176661 15.999 24 O 0.99152571435464 0.25000000000000 0.78561477823339 15.999 25 O 0.42330101548356 0.75000000000000 0.91982968826339 15.999 26 O 0.57669898451644 0.25000000000000 0.08017031173661 15.999 27 O 0.92330101548356 0.75000000000000 0.58017031173661 15.999 28 O 0.07669898451644 0.25000000000000 0.41982968826339 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.569105300000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.768854520000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.421203490000002 Atomic positions (fractional): 1 Ca 0.75358260949274 0.25000000000000 0.14928379394955 40.078 > 1 2 Ca 0.75358260949274 0.58333333333333 0.14928379394955 40.078 > 1 3 Ca 0.75358260949274 0.91666666666667 0.14928379394955 40.078 > 1 4 Ca 0.24641739050726 0.08333333333333 0.85071620605045 40.078 > 4 5 Ca 0.24641739050726 0.41666666666667 0.85071620605045 40.078 > 4 6 Ca 0.24641739050726 0.75000000000000 0.85071620605045 40.078 > 4 7 Ca 0.25358260949274 0.25000000000000 0.35071620605045 40.078 > 7 8 Ca 0.25358260949274 0.58333333333333 0.35071620605045 40.078 > 7 9 Ca 0.25358260949274 0.91666666666667 0.35071620605045 40.078 > 7 10 Ca 0.74641739050726 0.08333333333333 0.64928379394955 40.078 > 10 11 Ca 0.74641739050726 0.41666666666667 0.64928379394955 40.078 > 10 12 Ca 0.74641739050726 0.75000000000000 0.64928379394955 40.078 > 10 13 Lu 0.42383574457647 0.25000000000000 0.61074855611202 174.967 > 13 14 Lu 0.42383574457647 0.58333333333333 0.61074855611202 174.967 > 13 15 Lu 0.42383574457647 0.91666666666667 0.61074855611202 174.967 > 13 16 Lu 0.57616425542353 0.08333333333333 0.38925144388798 174.967 > 16 17 Lu 0.57616425542353 0.41666666666667 0.38925144388798 174.967 > 16 18 Lu 0.57616425542353 0.75000000000000 0.38925144388798 174.967 > 16 19 Lu 0.92383574457647 0.25000000000000 0.88925144388798 174.967 > 19 20 Lu 0.92383574457647 0.58333333333333 0.88925144388798 174.967 > 19 21 Lu 0.92383574457647 0.91666666666667 0.88925144388798 174.967 > 19 22 Lu 0.07616425542353 0.08333333333333 0.11074855611202 174.967 > 22 23 Lu 0.07616425542353 0.41666666666667 0.11074855611202 174.967 > 22 24 Lu 0.07616425542353 0.75000000000000 0.11074855611202 174.967 > 22 25 Lu 0.42073641918921 0.25000000000000 0.11226295795796 174.967 > 25 26 Lu 0.42073641918921 0.58333333333333 0.11226295795796 174.967 > 25 27 Lu 0.42073641918921 0.91666666666667 0.11226295795796 174.967 > 25 28 Lu 0.57926358081079 0.08333333333333 0.88773704204204 174.967 > 28 29 Lu 0.57926358081079 0.41666666666667 0.88773704204204 174.967 > 28 30 Lu 0.57926358081079 0.75000000000000 0.88773704204204 174.967 > 28 31 Lu 0.92073641918921 0.25000000000000 0.38773704204205 174.967 > 31 32 Lu 0.92073641918921 0.58333333333333 0.38773704204205 174.967 > 31 33 Lu 0.92073641918921 0.91666666666667 0.38773704204205 174.967 > 31 34 Lu 0.07926358081079 0.08333333333333 0.61226295795796 174.967 > 34 35 Lu 0.07926358081079 0.41666666666667 0.61226295795796 174.967 > 34 36 Lu 0.07926358081079 0.75000000000000 0.61226295795796 174.967 > 34 37 O 0.21362397187021 0.25000000000000 0.68121580688201 15.999 > 37 38 O 0.21362397187021 0.58333333333333 0.68121580688201 15.999 > 37 39 O 0.21362397187021 0.91666666666667 0.68121580688201 15.999 > 37 40 O 0.78637602812979 0.08333333333333 0.31878419311799 15.999 > 40 41 O 0.78637602812979 0.41666666666667 0.31878419311799 15.999 > 40 42 O 0.78637602812979 0.75000000000000 0.31878419311799 15.999 > 40 43 O 0.71362397187021 0.25000000000000 0.81878419311799 15.999 > 43 44 O 0.71362397187021 0.58333333333333 0.81878419311799 15.999 > 43 45 O 0.71362397187021 0.91666666666667 0.81878419311799 15.999 > 43 46 O 0.28637602812979 0.08333333333333 0.18121580688201 15.999 > 46 47 O 0.28637602812979 0.41666666666667 0.18121580688201 15.999 > 46 48 O 0.28637602812979 0.75000000000000 0.18121580688201 15.999 > 46 49 O 0.13142197373391 0.25000000000000 0.97983961917120 15.999 > 49 50 O 0.13142197373391 0.58333333333333 0.97983961917120 15.999 > 49 51 O 0.13142197373391 0.91666666666667 0.97983961917120 15.999 > 49 52 O 0.86857802626609 0.08333333333333 0.02016038082880 15.999 > 52 53 O 0.86857802626609 0.41666666666667 0.02016038082880 15.999 > 52 54 O 0.86857802626609 0.75000000000000 0.02016038082880 15.999 > 52 55 O 0.63142197373391 0.25000000000000 0.52016038082880 15.999 > 55 56 O 0.63142197373391 0.58333333333333 0.52016038082880 15.999 > 55 57 O 0.63142197373391 0.91666666666667 0.52016038082880 15.999 > 55 58 O 0.36857802626609 0.08333333333333 0.47983961917120 15.999 > 58 59 O 0.36857802626609 0.41666666666667 0.47983961917120 15.999 > 58 60 O 0.36857802626609 0.75000000000000 0.47983961917120 15.999 > 58 61 O 0.50847428564536 0.25000000000000 0.28561477823339 15.999 > 61 62 O 0.50847428564536 0.58333333333333 0.28561477823339 15.999 > 61 63 O 0.50847428564536 0.91666666666667 0.28561477823339 15.999 > 61 64 O 0.49152571435464 0.08333333333333 0.71438522176661 15.999 > 64 65 O 0.49152571435464 0.41666666666667 0.71438522176661 15.999 > 64 66 O 0.49152571435464 0.75000000000000 0.71438522176661 15.999 > 64 67 O 0.00847428564536 0.25000000000000 0.21438522176661 15.999 > 67 68 O 0.00847428564536 0.58333333333333 0.21438522176661 15.999 > 67 69 O 0.00847428564536 0.91666666666667 0.21438522176661 15.999 > 67 70 O 0.99152571435464 0.08333333333333 0.78561477823339 15.999 > 70 71 O 0.99152571435464 0.41666666666667 0.78561477823339 15.999 > 70 72 O 0.99152571435464 0.75000000000000 0.78561477823339 15.999 > 70 73 O 0.42330101548356 0.25000000000000 0.91982968826339 15.999 > 73 74 O 0.42330101548356 0.58333333333333 0.91982968826339 15.999 > 73 75 O 0.42330101548356 0.91666666666667 0.91982968826339 15.999 > 73 76 O 0.57669898451644 0.08333333333333 0.08017031173661 15.999 > 76 77 O 0.57669898451644 0.41666666666667 0.08017031173661 15.999 > 76 78 O 0.57669898451644 0.75000000000000 0.08017031173661 15.999 > 76 79 O 0.92330101548356 0.25000000000000 0.58017031173661 15.999 > 79 80 O 0.92330101548356 0.58333333333333 0.58017031173661 15.999 > 79 81 O 0.92330101548356 0.91666666666667 0.58017031173661 15.999 > 79 82 O 0.07669898451644 0.08333333333333 0.41982968826339 15.999 > 82 83 O 0.07669898451644 0.41666666666667 0.41982968826339 15.999 > 82 84 O 0.07669898451644 0.75000000000000 0.41982968826339 15.999 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0801221 0.0000000 0.0000000 0.0000000 4.3035825 0.0000000 0.0000000 0.0000000 4.1639531 -------------------------- Born effective charges -------------------------- 1 Ca 2.5811032 0.0000000 -0.0415958 0.0000000 2.3683910 0.0000000 -0.0381976 0.0000000 2.4241254 2 Ca 2.5811032 0.0000000 -0.0415958 0.0000000 2.3683910 0.0000000 -0.0381976 0.0000000 2.4241254 3 Ca 2.5811032 0.0000000 0.0415958 0.0000000 2.3683910 0.0000000 0.0381976 0.0000000 2.4241254 4 Ca 2.5811032 0.0000000 0.0415958 0.0000000 2.3683910 0.0000000 0.0381976 0.0000000 2.4241254 5 Lu 3.4144077 0.0000000 -0.1793557 0.0000000 4.0813527 0.0000000 -0.0778461 0.0000000 3.4541861 6 Lu 3.4144077 0.0000000 -0.1793557 0.0000000 4.0813527 0.0000000 -0.0778461 0.0000000 3.4541861 7 Lu 3.4144077 0.0000000 0.1793557 0.0000000 4.0813527 0.0000000 0.0778461 0.0000000 3.4541861 8 Lu 3.4144077 0.0000000 0.1793557 0.0000000 4.0813527 0.0000000 0.0778461 0.0000000 3.4541861 9 Lu 3.3890480 0.0000000 -0.1657099 0.0000000 3.8748143 0.0000000 -0.0590964 0.0000000 3.9192750 10 Lu 3.3890480 0.0000000 -0.1657099 0.0000000 3.8748143 0.0000000 -0.0590964 0.0000000 3.9192750 11 Lu 3.3890480 0.0000000 0.1657099 0.0000000 3.8748143 0.0000000 0.0590964 0.0000000 3.9192750 12 Lu 3.3890480 0.0000000 0.1657099 0.0000000 3.8748143 0.0000000 0.0590964 0.0000000 3.9192750 13 O -2.7828058 0.0000000 -0.0256815 0.0000000 -2.5833201 0.0000000 -0.0360731 0.0000000 -2.0407743 14 O -2.7828058 0.0000000 -0.0256815 0.0000000 -2.5833201 0.0000000 -0.0360731 0.0000000 -2.0407743 15 O -2.7828058 0.0000000 0.0256815 0.0000000 -2.5833201 0.0000000 0.0360731 0.0000000 -2.0407743 16 O -2.7828058 0.0000000 0.0256815 0.0000000 -2.5833201 0.0000000 0.0360731 0.0000000 -2.0407743 17 O -2.3248492 0.0000000 0.0256168 0.0000000 -2.5683441 0.0000000 -0.0323974 0.0000000 -2.4370478 18 O -2.3248492 0.0000000 0.0256168 0.0000000 -2.5683441 0.0000000 -0.0323974 0.0000000 -2.4370478 19 O -2.3248492 0.0000000 -0.0256168 0.0000000 -2.5683441 0.0000000 0.0323974 0.0000000 -2.4370478 20 O -2.3248492 0.0000000 -0.0256168 0.0000000 -2.5683441 0.0000000 0.0323974 0.0000000 -2.4370478 21 O -1.9513689 0.0000000 -0.4080984 0.0000000 -2.5507453 0.0000000 -0.5524641 0.0000000 -2.9414467 22 O -1.9513689 0.0000000 -0.4080984 0.0000000 -2.5507453 0.0000000 -0.5524641 0.0000000 -2.9414467 23 O -1.9513689 0.0000000 0.4080984 0.0000000 -2.5507453 0.0000000 0.5524641 0.0000000 -2.9414467 24 O -1.9513689 0.0000000 0.4080984 0.0000000 -2.5507453 0.0000000 0.5524641 0.0000000 -2.9414467 25 O -2.3255349 0.0000000 0.0098539 0.0000000 -2.6221486 0.0000000 0.1212495 0.0000000 -2.3783176 26 O -2.3255349 0.0000000 0.0098539 0.0000000 -2.6221486 0.0000000 0.1212495 0.0000000 -2.3783176 27 O -2.3255349 0.0000000 -0.0098539 0.0000000 -2.6221486 0.0000000 -0.1212495 0.0000000 -2.3783176 28 O -2.3255349 0.0000000 -0.0098539 0.0000000 -2.6221486 0.0000000 -0.1212495 0.0000000 -2.3783176 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 15 4 ] 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: 0.59, Number of G-points: 293, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.290 ( 0.000 0.000 0.000) 0.000 1.778 ( 0.000 0.000 0.000) 0.000 1.792 ( 0.000 0.000 0.000) 0.000 2.207 ( 0.000 0.000 0.000) 0.000 2.375 ( 0.000 0.000 0.000) 0.000 2.379 ( 0.000 0.000 0.000) 0.000 2.386 ( 0.000 0.000 0.000) 0.000 2.590 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 2.833 ( 0.000 0.000 0.000) 0.000 3.064 ( 0.000 0.000 0.000) 0.000 3.100 ( 0.000 0.000 0.000) 0.000 3.292 ( 0.000 0.000 0.000) 0.000 3.481 ( 0.000 0.000 0.000) 0.000 3.517 ( 0.000 0.000 0.000) 0.000 3.531 ( 0.000 0.000 0.000) 0.000 3.633 ( 0.000 0.000 0.000) 0.000 3.715 ( 0.000 0.000 0.000) 0.000 3.756 ( 0.000 0.000 0.000) 0.000 3.781 ( 0.000 0.000 0.000) 0.000 4.230 ( 0.000 0.000 0.000) 0.000 4.432 ( 0.000 0.000 0.000) 0.000 4.441 ( 0.000 0.000 0.000) 0.000 4.569 ( 0.000 0.000 0.000) 0.000 4.922 ( 0.000 0.000 0.000) 0.000 4.947 ( 0.000 0.000 0.000) 0.000 4.983 ( 0.000 0.000 0.000) 0.000 5.665 ( 0.000 0.000 0.000) 0.000 6.197 ( 0.000 0.000 0.000) 0.000 6.665 ( 0.000 0.000 0.000) 0.000 6.773 ( 0.000 0.000 0.000) 0.000 6.836 ( 0.000 0.000 0.000) 0.000 7.322 ( 0.000 0.000 0.000) 0.000 7.355 ( 0.000 0.000 0.000) 0.000 7.416 ( 0.000 0.000 0.000) 0.000 7.730 ( 0.000 0.000 0.000) 0.000 8.067 ( 0.000 0.000 0.000) 0.000 8.175 ( 0.000 0.000 0.000) 0.000 8.208 ( 0.000 0.000 0.000) 0.000 8.494 ( 0.000 0.000 0.000) 0.000 8.649 ( 0.000 0.000 0.000) 0.000 8.675 ( 0.000 0.000 0.000) 0.000 8.764 ( 0.000 0.000 0.000) 0.000 9.019 ( 0.000 0.000 0.000) 0.000 9.046 ( 0.000 0.000 0.000) 0.000 9.272 ( 0.000 0.000 0.000) 0.000 9.296 ( 0.000 0.000 0.000) 0.000 9.505 ( 0.000 0.000 0.000) 0.000 9.836 ( 0.000 0.000 0.000) 0.000 9.984 ( 0.000 0.000 0.000) 0.000 10.108 ( 0.000 0.000 0.000) 0.000 10.680 ( 0.000 0.000 0.000) 0.000 10.720 ( 0.000 0.000 0.000) 0.000 10.779 ( 0.000 0.000 0.000) 0.000 11.383 ( 0.000 0.000 0.000) 0.000 11.414 ( 0.000 0.000 0.000) 0.000 11.416 ( 0.000 0.000 0.000) 0.000 11.449 ( 0.000 0.000 0.000) 0.000 11.703 ( 0.000 0.000 0.000) 0.000 12.323 ( 0.000 0.000 0.000) 0.000 12.394 ( 0.000 0.000 0.000) 0.000 13.312 ( 0.000 0.000 0.000) 0.000 13.421 ( 0.000 0.000 0.000) 0.000 13.694 ( 0.000 0.000 0.000) 0.000 13.843 ( 0.000 0.000 0.000) 0.000 14.174 ( 0.000 0.000 0.000) 0.000 14.214 ( 0.000 0.000 0.000) 0.000 14.245 ( 0.000 0.000 0.000) 0.000 14.282 ( 0.000 0.000 0.000) 0.000 14.355 ( 0.000 0.000 0.000) 0.000 14.690 ( 0.000 0.000 0.000) 0.000 14.762 ( 0.000 0.000 0.000) 0.000 14.866 ( 0.000 0.000 0.000) 0.000 15.161 ( 0.000 0.000 0.000) 0.000 16.619 ( 0.000 0.000 0.000) 0.000 17.122 ( 0.000 0.000 0.000) 0.000 17.576 ( 0.000 0.000 0.000) 0.000 18.956 ( 0.000 0.000 0.000) 0.000 19.137 ( 0.000 0.000 0.000) 0.000 19.416 ( 0.000 0.000 0.000) 0.000 19.896 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.564 ( 26.378 0.000 0.000) 26.378 0.565 ( 25.832 0.000 0.000) 25.832 0.951 ( 45.496 0.000 0.000) 45.496 1.651 ( -7.317 0.000 0.000) 7.317 1.754 ( -3.952 0.000 0.000) 3.952 1.911 ( 7.561 0.000 0.000) 7.561 2.097 ( -7.105 0.000 0.000) 7.105 2.252 ( -6.095 0.000 0.000) 6.095 2.266 ( -8.187 0.000 0.000) 8.187 2.507 ( 5.950 0.000 0.000) 5.950 2.641 ( 3.140 0.000 0.000) 3.140 2.773 ( 1.739 0.000 0.000) 1.739 2.871 ( 1.571 0.000 0.000) 1.571 3.017 ( -4.090 0.000 0.000) 4.090 3.025 ( -5.738 0.000 0.000) 5.738 3.266 ( -9.633 0.000 0.000) 9.633 3.388 ( -4.337 0.000 0.000) 4.337 3.528 ( 1.099 0.000 0.000) 1.099 3.565 ( 2.940 0.000 0.000) 2.940 3.623 ( -0.921 0.000 0.000) 0.921 3.687 ( -4.560 0.000 0.000) 4.560 3.763 ( -1.737 0.000 0.000) 1.737 3.770 ( 4.743 0.000 0.000) 4.743 4.302 ( 8.000 0.000 0.000) 8.000 4.318 ( -0.068 0.000 0.000) 0.068 4.650 ( -4.754 0.000 0.000) 4.754 4.901 ( -6.357 0.000 0.000) 6.357 4.991 ( 11.169 0.000 0.000) 11.169 5.029 ( 7.081 0.000 0.000) 7.081 5.498 ( -13.673 0.000 0.000) 13.673 5.627 ( 5.967 0.000 0.000) 5.967 6.183 ( -2.899 0.000 0.000) 2.899 6.758 ( 7.602 0.000 0.000) 7.602 6.812 ( 3.490 0.000 0.000) 3.490 6.964 ( 5.999 0.000 0.000) 5.999 7.066 ( -11.766 0.000 0.000) 11.766 7.392 ( -0.229 0.000 0.000) 0.229 7.565 ( -13.251 0.000 0.000) 13.251 7.584 ( 8.739 0.000 0.000) 8.739 8.064 ( -0.127 0.000 0.000) 0.127 8.173 ( -2.696 0.000 0.000) 2.696 8.176 ( -2.746 0.000 0.000) 2.746 8.629 ( -1.458 0.000 0.000) 1.458 8.641 ( -2.271 0.000 0.000) 2.271 8.814 ( 4.384 0.000 0.000) 4.384 8.992 ( -0.438 0.000 0.000) 0.438 9.039 ( -6.206 0.000 0.000) 6.206 9.149 ( 8.655 0.000 0.000) 8.655 9.384 ( 7.521 0.000 0.000) 7.521 9.481 ( -4.565 0.000 0.000) 4.565 9.772 ( -5.791 0.000 0.000) 5.791 9.932 ( -4.814 0.000 0.000) 4.814 10.407 ( 25.294 0.000 0.000) 25.294 10.731 ( 0.890 0.000 0.000) 0.890 10.743 ( 6.383 0.000 0.000) 6.383 10.777 ( -0.226 0.000 0.000) 0.226 11.352 ( -7.095 0.000 0.000) 7.095 11.389 ( 0.444 0.000 0.000) 0.444 11.413 ( -0.098 0.000 0.000) 0.098 11.448 ( 2.809 0.000 0.000) 2.809 11.815 ( 7.636 0.000 0.000) 7.636 12.276 ( -2.971 0.000 0.000) 2.971 12.480 ( 6.233 0.000 0.000) 6.233 12.533 ( -21.715 0.000 0.000) 21.715 13.268 ( -4.181 0.000 0.000) 4.181 13.319 ( -11.582 0.000 0.000) 11.582 13.745 ( 4.783 0.000 0.000) 4.783 13.834 ( -0.537 0.000 0.000) 0.537 14.177 ( 0.346 0.000 0.000) 0.346 14.210 ( -0.374 0.000 0.000) 0.374 14.248 ( 0.335 0.000 0.000) 0.335 14.278 ( -0.322 0.000 0.000) 0.322 14.684 ( -0.168 0.000 0.000) 0.168 14.748 ( -2.484 0.000 0.000) 2.484 14.811 ( 3.957 0.000 0.000) 3.957 15.099 ( -4.635 0.000 0.000) 4.635 16.723 ( 12.159 0.000 0.000) 12.159 17.135 ( 0.704 0.000 0.000) 0.704 17.585 ( 0.831 0.000 0.000) 0.831 17.632 ( -0.275 0.000 0.000) 0.275 19.094 ( 0.671 0.000 0.000) 0.671 19.135 ( -0.190 0.000 0.000) 0.190 19.434 ( 1.872 0.000 0.000) 1.872 19.817 ( -7.001 0.000 0.000) 7.001 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.058 ( 20.998 0.000 0.000) 20.998 1.089 ( 23.574 0.000 0.000) 23.574 1.428 ( -14.086 0.000 0.000) 14.086 1.527 ( -17.367 0.000 0.000) 17.367 1.886 ( 42.753 0.000 0.000) 42.753 2.034 ( 4.202 0.000 0.000) 4.202 2.044 ( 2.044 0.000 0.000) 2.044 2.118 ( -5.315 0.000 0.000) 5.315 2.130 ( -5.403 0.000 0.000) 5.403 2.620 ( 4.487 0.000 0.000) 4.487 2.674 ( -0.401 0.000 0.000) 0.401 2.699 ( -31.517 0.000 0.000) 31.517 2.826 ( 3.348 0.000 0.000) 3.348 2.915 ( -5.034 0.000 0.000) 5.034 2.928 ( -2.609 0.000 0.000) 2.609 2.939 ( -2.220 0.000 0.000) 2.220 3.443 ( 4.822 0.000 0.000) 4.822 3.557 ( -6.255 0.000 0.000) 6.255 3.559 ( 1.742 0.000 0.000) 1.742 3.596 ( -1.613 0.000 0.000) 1.613 3.638 ( 3.710 0.000 0.000) 3.710 3.711 ( -3.104 0.000 0.000) 3.104 3.971 ( 13.427 0.000 0.000) 13.427 4.264 ( -11.177 0.000 0.000) 11.177 4.514 ( 6.536 0.000 0.000) 6.536 4.633 ( 16.203 0.000 0.000) 16.203 4.714 ( -10.636 0.000 0.000) 10.636 5.014 ( -15.117 0.000 0.000) 15.117 5.249 ( 8.537 0.000 0.000) 8.537 5.300 ( 0.224 0.000 0.000) 0.224 5.784 ( 9.719 0.000 0.000) 9.719 6.027 ( -11.584 0.000 0.000) 11.584 6.889 ( 2.804 0.000 0.000) 2.804 6.906 ( 2.305 0.000 0.000) 2.305 6.957 ( 4.824 0.000 0.000) 4.824 7.078 ( 1.237 0.000 0.000) 1.237 7.299 ( -7.658 0.000 0.000) 7.658 7.334 ( -4.961 0.000 0.000) 4.961 7.782 ( 10.806 0.000 0.000) 10.806 8.020 ( -10.882 0.000 0.000) 10.882 8.072 ( 1.084 0.000 0.000) 1.084 8.113 ( -2.792 0.000 0.000) 2.792 8.604 ( -0.653 0.000 0.000) 0.653 8.606 ( -0.899 0.000 0.000) 0.899 8.904 ( 3.080 0.000 0.000) 3.080 8.952 ( -2.375 0.000 0.000) 2.375 9.071 ( 8.548 0.000 0.000) 8.548 9.299 ( -11.493 0.000 0.000) 11.493 9.362 ( 10.875 0.000 0.000) 10.875 9.539 ( 0.873 0.000 0.000) 0.873 9.640 ( -0.777 0.000 0.000) 0.777 9.792 ( -8.317 0.000 0.000) 8.317 10.752 ( 0.988 0.000 0.000) 0.988 10.768 ( -0.605 0.000 0.000) 0.605 10.928 ( 10.024 0.000 0.000) 10.024 10.986 ( 20.790 0.000 0.000) 20.790 11.220 ( 0.458 0.000 0.000) 0.458 11.399 ( 0.530 0.000 0.000) 0.530 11.409 ( -0.320 0.000 0.000) 0.320 11.483 ( -3.468 0.000 0.000) 3.468 11.886 ( -1.493 0.000 0.000) 1.493 12.023 ( -20.900 0.000 0.000) 20.900 12.336 ( 10.614 0.000 0.000) 10.614 12.558 ( -4.256 0.000 0.000) 4.256 13.081 ( -4.917 0.000 0.000) 4.917 13.146 ( -6.785 0.000 0.000) 6.785 13.822 ( 1.803 0.000 0.000) 1.803 13.831 ( 0.224 0.000 0.000) 0.224 14.187 ( 0.575 0.000 0.000) 0.575 14.200 ( -0.592 0.000 0.000) 0.592 14.258 ( 0.534 0.000 0.000) 0.534 14.269 ( -0.526 0.000 0.000) 0.526 14.687 ( 0.392 0.000 0.000) 0.392 14.704 ( -1.440 0.000 0.000) 1.440 14.905 ( 4.718 0.000 0.000) 4.718 15.002 ( -4.556 0.000 0.000) 4.556 16.975 ( 10.255 0.000 0.000) 10.255 17.117 ( -3.314 0.000 0.000) 3.314 17.606 ( 1.016 0.000 0.000) 1.016 17.623 ( -0.604 0.000 0.000) 0.604 19.111 ( 0.908 0.000 0.000) 0.908 19.128 ( -0.581 0.000 0.000) 0.581 19.503 ( 4.980 0.000 0.000) 4.980 19.645 ( -8.305 0.000 0.000) 8.305 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.552 ( 0.000 26.489 0.000) 26.489 0.638 ( 0.000 30.632 0.000) 30.632 1.214 ( 0.000 57.962 0.000) 57.962 1.387 ( 0.000 9.786 0.000) 9.786 1.824 ( 0.000 3.604 0.000) 3.604 2.050 ( 0.000 23.993 0.000) 23.993 2.386 ( 0.000 1.418 0.000) 1.418 2.393 ( 0.000 15.251 0.000) 15.251 2.523 ( 0.000 12.218 0.000) 12.218 2.618 ( 0.000 20.265 0.000) 20.265 2.774 ( 0.000 15.993 0.000) 15.993 2.856 ( 0.000 3.544 0.000) 3.544 2.926 ( 0.000 15.596 0.000) 15.596 3.007 ( 0.000 -4.365 0.000) 4.365 3.161 ( 0.000 7.128 0.000) 7.128 3.425 ( 0.000 15.106 0.000) 15.106 3.470 ( 0.000 0.750 0.000) 0.750 3.655 ( 0.000 4.331 0.000) 4.331 3.706 ( 0.000 -0.698 0.000) 0.698 3.794 ( 0.000 22.384 0.000) 22.384 3.897 ( 0.000 15.186 0.000) 15.186 3.973 ( 0.000 25.449 0.000) 25.449 4.026 ( 0.000 22.281 0.000) 22.281 4.259 ( 0.000 3.978 0.000) 3.978 4.433 ( 0.000 0.531 0.000) 0.531 4.450 ( 0.000 1.003 0.000) 1.003 4.593 ( 0.000 2.944 0.000) 2.944 4.922 ( 0.000 -2.414 0.000) 2.414 4.951 ( 0.000 -0.032 0.000) 0.032 4.984 ( 0.000 3.347 0.000) 3.347 5.624 ( 0.000 -3.793 0.000) 3.793 6.139 ( 0.000 -5.375 0.000) 5.375 6.638 ( 0.000 -2.558 0.000) 2.558 6.786 ( 0.000 1.259 0.000) 1.259 6.842 ( 0.000 0.464 0.000) 0.464 7.228 ( 0.000 -9.342 0.000) 9.342 7.289 ( 0.000 -5.591 0.000) 5.591 7.306 ( 0.000 -6.797 0.000) 6.797 7.660 ( 0.000 -5.903 0.000) 5.903 8.019 ( 0.000 -11.949 0.000) 11.949 8.405 ( 0.000 -6.356 0.000) 6.356 8.508 ( 0.000 24.068 0.000) 24.068 8.691 ( 0.000 3.163 0.000) 3.163 8.784 ( 0.000 2.042 0.000) 2.042 8.842 ( 0.000 12.729 0.000) 12.729 8.942 ( 0.000 -6.095 0.000) 6.095 9.252 ( 0.000 3.050 0.000) 3.050 9.342 ( 0.000 20.235 0.000) 20.235 9.443 ( 0.000 -4.548 0.000) 4.548 9.545 ( 0.000 21.930 0.000) 21.930 9.991 ( 0.000 13.706 0.000) 13.706 10.029 ( 0.000 -4.491 0.000) 4.491 10.102 ( 0.000 10.512 0.000) 10.512 10.678 ( 0.000 0.009 0.000) 0.009 10.801 ( 0.000 6.014 0.000) 6.014 10.852 ( 0.000 7.904 0.000) 7.904 11.268 ( 0.000 -8.591 0.000) 8.591 11.300 ( 0.000 -4.554 0.000) 4.554 11.491 ( 0.000 4.224 0.000) 4.224 11.561 ( 0.000 7.606 0.000) 7.606 11.701 ( 0.000 -1.535 0.000) 1.535 12.363 ( 0.000 -2.990 0.000) 2.990 12.401 ( 0.000 6.917 0.000) 6.917 13.278 ( 0.000 -3.082 0.000) 3.082 13.324 ( 0.000 -11.518 0.000) 11.518 13.424 ( 0.000 -0.040 0.000) 0.040 13.769 ( 0.000 -6.960 0.000) 6.960 13.856 ( 0.000 -23.847 0.000) 23.847 13.889 ( 0.000 12.774 0.000) 12.774 14.126 ( 0.000 -4.337 0.000) 4.337 14.246 ( 0.000 0.242 0.000) 0.242 14.441 ( 0.000 2.502 0.000) 2.502 14.731 ( 0.000 3.172 0.000) 3.172 14.747 ( 0.000 -1.744 0.000) 1.744 14.859 ( 0.000 -2.982 0.000) 2.982 15.092 ( 0.000 -6.512 0.000) 6.512 16.739 ( 0.000 9.801 0.000) 9.801 17.139 ( 0.000 1.556 0.000) 1.556 17.539 ( 0.000 -3.323 0.000) 3.323 17.752 ( 0.000 -2.238 0.000) 2.238 18.891 ( 0.000 -6.285 0.000) 6.285 19.056 ( 0.000 -7.777 0.000) 7.777 19.327 ( 0.000 -8.482 0.000) 8.482 19.759 ( 0.000 -12.881 0.000) 12.881 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 21.947 17.996 0.000) 28.382 0.839 ( 16.136 22.195 0.000) 27.441 1.461 ( 18.596 33.991 0.000) 38.745 1.628 ( 8.921 11.034 0.000) 14.190 1.936 ( 9.120 3.844 0.000) 9.897 2.008 ( -6.176 21.638 0.000) 22.502 2.261 ( -6.197 9.450 0.000) 11.301 2.338 ( -5.002 11.710 0.000) 12.734 2.459 ( -4.388 17.204 0.000) 17.754 2.679 ( 4.407 15.185 0.000) 15.812 2.801 ( 1.393 11.762 0.000) 11.845 2.898 ( 1.556 5.209 0.000) 5.436 2.943 ( 1.437 15.447 0.000) 15.514 2.993 ( -1.823 -1.567 0.000) 2.404 3.062 ( -7.143 4.739 0.000) 8.572 3.320 ( -11.906 5.536 0.000) 13.130 3.443 ( 0.272 9.929 0.000) 9.933 3.692 ( -3.536 1.319 0.000) 3.774 3.711 ( 4.879 4.316 0.000) 6.514 3.831 ( 2.904 22.610 0.000) 22.795 3.868 ( -0.474 20.264 0.000) 20.269 3.933 ( -1.694 25.088 0.000) 25.146 4.005 ( -1.979 21.628 0.000) 21.719 4.248 ( 3.377 -3.809 0.000) 5.090 4.341 ( 3.459 3.710 0.000) 5.072 4.601 ( -5.002 -2.870 0.000) 5.767 4.909 ( -6.216 0.480 0.000) 6.234 4.935 ( 18.425 -5.109 0.000) 19.120 5.043 ( 6.037 2.098 0.000) 6.391 5.151 ( 21.368 -13.909 0.000) 25.496 5.471 ( -12.658 -2.507 0.000) 12.904 6.076 ( -6.617 -9.214 0.000) 11.344 6.729 ( 7.513 -2.663 0.000) 7.971 6.812 ( 2.636 0.437 0.000) 2.672 6.920 ( 5.951 -1.594 0.000) 6.160 7.005 ( -9.828 -5.096 0.000) 11.071 7.325 ( 0.568 -5.476 0.000) 5.506 7.492 ( 10.072 -7.148 0.000) 12.350 7.510 ( -11.925 -4.612 0.000) 12.785 8.036 ( 0.158 -10.127 0.000) 10.128 8.475 ( 3.438 5.071 0.000) 6.126 8.492 ( -1.341 24.943 0.000) 24.979 8.659 ( -1.778 0.899 0.000) 1.992 8.784 ( -6.956 16.258 0.000) 17.684 8.820 ( 2.622 1.647 0.000) 3.096 8.958 ( 2.375 -1.724 0.000) 2.935 9.023 ( -11.057 -2.625 0.000) 11.364 9.357 ( 4.900 20.246 0.000) 20.831 9.469 ( -3.573 0.547 0.000) 3.615 9.596 ( 4.715 19.032 0.000) 19.608 9.918 ( -5.900 12.112 0.000) 13.473 10.029 ( -5.957 9.468 0.000) 11.186 10.292 ( 20.791 -5.643 0.000) 21.543 10.755 ( 6.940 0.709 0.000) 6.977 10.841 ( 3.995 6.555 0.000) 7.677 10.844 ( -0.669 6.072 0.000) 6.109 11.263 ( -3.459 -4.154 0.000) 5.405 11.281 ( 1.297 -5.737 0.000) 5.882 11.394 ( -6.174 1.590 0.000) 6.375 11.564 ( 2.607 5.708 0.000) 6.275 11.821 ( 7.917 0.400 0.000) 7.928 12.352 ( -3.273 6.393 0.000) 7.183 12.450 ( 6.578 -3.326 0.000) 7.371 12.847 ( -34.566 10.606 0.000) 36.156 13.242 ( -3.619 -2.502 0.000) 4.400 13.313 ( -10.113 -1.442 0.000) 10.215 13.758 ( -0.696 -6.422 0.000) 6.460 13.769 ( -0.711 -6.643 0.000) 6.681 14.019 ( 5.209 -3.303 0.000) 6.168 14.076 ( -2.982 -9.522 0.000) 9.978 14.237 ( -8.557 -2.061 0.000) 8.802 14.285 ( 1.792 4.135 0.000) 4.507 14.689 ( -0.811 -0.547 0.000) 0.978 14.818 ( -3.026 0.061 0.000) 3.027 14.838 ( 5.358 1.594 0.000) 5.591 15.101 ( -0.933 -1.733 0.000) 1.968 16.831 ( 8.611 8.498 0.000) 12.098 17.153 ( 0.842 1.654 0.000) 1.856 17.552 ( 1.193 -2.999 0.000) 3.228 17.674 ( -3.518 1.321 0.000) 3.757 18.966 ( 3.516 -9.697 0.000) 10.315 19.053 ( -0.260 -7.826 0.000) 7.830 19.344 ( 1.682 -8.641 0.000) 8.803 19.687 ( -6.329 -12.188 0.000) 13.733 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 16.203 13.321 0.000) 20.976 1.294 ( 18.275 15.287 0.000) 23.826 1.526 ( -5.645 8.468 0.000) 10.177 1.748 ( -16.672 17.127 0.000) 23.901 2.025 ( 16.937 8.094 0.000) 18.771 2.162 ( 19.202 19.603 0.000) 27.440 2.181 ( -4.361 6.684 0.000) 7.981 2.282 ( 1.492 20.431 0.000) 20.485 2.365 ( -4.158 20.607 0.000) 21.023 2.723 ( -22.917 5.601 0.000) 23.591 2.780 ( 4.312 13.460 0.000) 14.134 2.815 ( 0.104 8.544 0.000) 8.545 2.942 ( -1.417 6.925 0.000) 7.068 2.943 ( -3.090 1.082 0.000) 3.274 2.984 ( 2.544 14.162 0.000) 14.389 3.071 ( -7.143 10.827 0.000) 12.971 3.487 ( 3.591 6.751 0.000) 7.647 3.583 ( -5.489 4.118 0.000) 6.862 3.831 ( 4.857 12.985 0.000) 13.863 3.862 ( -0.319 22.506 0.000) 22.508 3.867 ( 1.441 25.218 0.000) 25.259 3.944 ( -3.801 20.541 0.000) 20.889 4.010 ( 9.222 9.793 0.000) 13.452 4.241 ( -9.517 -0.199 0.000) 9.520 4.512 ( 9.267 -0.316 0.000) 9.273 4.612 ( 14.525 -0.593 0.000) 14.537 4.727 ( -10.495 1.600 0.000) 10.616 4.987 ( -15.935 -2.301 0.000) 16.100 5.236 ( 9.013 -1.087 0.000) 9.078 5.300 ( -0.012 0.113 0.000) 0.114 5.531 ( 15.758 -16.363 0.000) 22.717 5.852 ( -14.197 -13.547 0.000) 19.624 6.869 ( 1.906 -1.524 0.000) 2.441 6.875 ( 2.315 -2.832 0.000) 3.658 6.918 ( 4.429 -3.685 0.000) 5.761 7.017 ( 0.482 -5.054 0.000) 5.076 7.281 ( -6.273 -0.996 0.000) 6.352 7.292 ( -3.299 -3.034 0.000) 4.482 7.718 ( 11.666 -5.298 0.000) 12.813 7.949 ( -8.913 -6.625 0.000) 11.106 8.467 ( -0.578 26.603 0.000) 26.609 8.482 ( -1.785 26.321 0.000) 26.382 8.641 ( -0.093 0.911 0.000) 0.916 8.656 ( -2.415 2.712 0.000) 3.631 8.864 ( 1.632 -0.512 0.000) 1.711 8.905 ( -2.728 -1.726 0.000) 3.229 9.079 ( 9.091 1.109 0.000) 9.159 9.300 ( -10.740 0.676 0.000) 10.761 9.527 ( 9.811 15.670 0.000) 18.488 9.700 ( 0.079 14.762 0.000) 14.762 9.776 ( -2.593 11.749 0.000) 12.032 9.888 ( -7.021 9.089 0.000) 11.485 10.682 ( 11.587 -5.005 0.000) 12.621 10.805 ( -2.558 2.060 0.000) 3.284 10.942 ( 8.389 1.626 0.000) 8.545 10.975 ( 6.930 -0.658 0.000) 6.961 11.189 ( -2.807 -6.554 0.000) 7.129 11.219 ( -6.150 0.897 0.000) 6.215 11.452 ( 14.306 4.138 0.000) 14.893 11.654 ( 3.273 5.475 0.000) 6.379 11.902 ( -1.103 1.769 0.000) 2.085 12.125 ( -28.845 6.927 0.000) 29.665 12.389 ( 8.856 4.133 0.000) 9.773 12.568 ( -2.206 0.327 0.000) 2.230 13.088 ( -6.011 0.674 0.000) 6.049 13.131 ( -6.188 -1.480 0.000) 6.362 13.754 ( 0.354 -6.170 0.000) 6.180 13.765 ( -0.429 -7.188 0.000) 7.201 14.034 ( -0.808 -13.713 0.000) 13.736 14.045 ( -1.575 -10.759 0.000) 10.874 14.213 ( 4.009 -1.086 0.000) 4.154 14.284 ( -1.999 4.070 0.000) 4.535 14.703 ( 1.873 0.357 0.000) 1.906 14.755 ( -2.844 1.741 0.000) 3.335 14.952 ( 5.284 2.036 0.000) 5.663 15.049 ( -3.786 1.561 0.000) 4.095 17.026 ( 8.378 4.491 0.000) 9.505 17.143 ( -2.622 2.341 0.000) 3.514 17.584 ( 1.761 -2.043 0.000) 2.697 17.622 ( -1.929 -0.460 0.000) 1.983 19.017 ( 1.687 -8.680 0.000) 8.842 19.043 ( -0.827 -8.050 0.000) 8.092 19.405 ( 4.446 -9.303 0.000) 10.311 19.533 ( -7.469 -10.653 0.000) 13.011 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.070 ( 0.000 23.866 0.000) 23.866 1.243 ( 0.000 28.138 0.000) 28.138 1.692 ( 0.000 19.332 0.000) 19.332 1.937 ( 0.000 7.883 0.000) 7.883 2.356 ( 0.000 52.338 0.000) 52.338 2.446 ( 0.000 4.281 0.000) 4.281 2.576 ( 0.000 12.022 0.000) 12.022 2.672 ( 0.000 21.318 0.000) 21.318 2.750 ( 0.000 8.297 0.000) 8.297 2.936 ( 0.000 -2.187 0.000) 2.187 3.100 ( 0.000 20.715 0.000) 20.715 3.119 ( 0.000 25.801 0.000) 25.801 3.120 ( 0.000 13.691 0.000) 13.691 3.329 ( 0.000 21.747 0.000) 21.747 3.430 ( 0.000 18.823 0.000) 18.823 3.524 ( 0.000 5.757 0.000) 5.757 3.690 ( 0.000 -0.652 0.000) 0.652 3.781 ( 0.000 12.388 0.000) 12.388 3.853 ( 0.000 24.765 0.000) 24.765 4.122 ( 0.000 4.252 0.000) 4.252 4.323 ( 0.000 23.624 0.000) 23.624 4.412 ( 0.000 4.695 0.000) 4.695 4.479 ( 0.000 3.467 0.000) 3.467 4.515 ( 0.000 15.273 0.000) 15.273 4.625 ( 0.000 26.462 0.000) 26.462 4.655 ( 0.000 37.627 0.000) 37.627 4.818 ( 0.000 26.436 0.000) 26.436 4.853 ( 0.000 -4.055 0.000) 4.055 4.958 ( 0.000 4.447 0.000) 4.447 5.134 ( 0.000 10.806 0.000) 10.806 5.523 ( 0.000 -5.401 0.000) 5.401 6.000 ( 0.000 -7.463 0.000) 7.463 6.565 ( 0.000 -4.317 0.000) 4.317 6.824 ( 0.000 2.355 0.000) 2.355 6.849 ( 0.000 0.012 0.000) 0.012 7.011 ( 0.000 -10.806 0.000) 10.806 7.157 ( 0.000 -7.972 0.000) 7.972 7.164 ( 0.000 -5.936 0.000) 5.936 7.526 ( 0.000 -6.528 0.000) 6.528 7.749 ( 0.000 -13.965 0.000) 13.965 8.278 ( 0.000 -5.623 0.000) 5.623 8.686 ( 0.000 -2.291 0.000) 2.291 8.778 ( 0.000 -6.573 0.000) 6.573 8.870 ( 0.000 3.284 0.000) 3.284 8.994 ( 0.000 -1.355 0.000) 1.355 9.053 ( 0.000 24.060 0.000) 24.060 9.263 ( 0.000 0.252 0.000) 0.252 9.451 ( 0.000 8.063 0.000) 8.063 9.882 ( 0.000 27.563 0.000) 27.563 10.039 ( 0.000 6.571 0.000) 6.571 10.080 ( 0.000 25.806 0.000) 25.806 10.328 ( 0.000 19.034 0.000) 19.034 10.340 ( 0.000 10.712 0.000) 10.712 10.696 ( 0.000 2.303 0.000) 2.303 10.920 ( 0.000 5.438 0.000) 5.438 11.037 ( 0.000 8.946 0.000) 8.946 11.150 ( 0.000 -0.340 0.000) 0.340 11.234 ( 0.000 -1.682 0.000) 1.682 11.624 ( 0.000 -5.318 0.000) 5.318 11.633 ( 0.000 9.862 0.000) 9.862 11.724 ( 0.000 8.482 0.000) 8.482 12.281 ( 0.000 -4.662 0.000) 4.662 12.562 ( 0.000 7.707 0.000) 7.707 13.089 ( 0.000 -11.179 0.000) 11.179 13.203 ( 0.000 -3.851 0.000) 3.851 13.414 ( 0.000 -1.287 0.000) 1.287 13.437 ( 0.000 -13.832 0.000) 13.832 13.584 ( 0.000 -10.148 0.000) 10.148 14.011 ( 0.000 -6.627 0.000) 6.627 14.157 ( 0.000 13.085 0.000) 13.085 14.240 ( 0.000 -1.894 0.000) 1.894 14.464 ( 0.000 -0.290 0.000) 0.290 14.684 ( 0.000 -4.221 0.000) 4.221 14.711 ( 0.000 -10.579 0.000) 10.579 14.774 ( 0.000 0.009 0.000) 0.009 14.911 ( 0.000 -10.587 0.000) 10.587 16.930 ( 0.000 7.331 0.000) 7.331 17.180 ( 0.000 2.309 0.000) 2.309 17.458 ( 0.000 -4.074 0.000) 4.074 17.687 ( 0.000 -4.047 0.000) 4.047 18.708 ( 0.000 -11.341 0.000) 11.341 18.832 ( 0.000 -13.702 0.000) 13.702 19.081 ( 0.000 -15.136 0.000) 15.136 19.403 ( 0.000 -20.927 0.000) 20.927 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 14.407 21.017 0.000) 25.481 1.340 ( 8.558 25.173 0.000) 26.587 1.741 ( 3.624 13.920 0.000) 14.384 2.052 ( 7.470 9.188 0.000) 11.842 2.358 ( -8.178 8.944 0.000) 12.120 2.499 ( 12.753 47.298 0.000) 48.987 2.522 ( -10.461 16.078 0.000) 19.182 2.618 ( 2.851 8.387 0.000) 8.858 2.752 ( 0.838 8.724 0.000) 8.764 2.980 ( 1.669 3.684 0.000) 4.044 3.011 ( -3.089 16.082 0.000) 16.376 3.094 ( -1.878 22.833 0.000) 22.910 3.228 ( 4.441 17.859 0.000) 18.403 3.249 ( -11.808 13.295 0.000) 17.782 3.350 ( 0.950 23.074 0.000) 23.093 3.471 ( -5.167 11.655 0.000) 12.749 3.742 ( 1.162 3.759 0.000) 3.935 3.791 ( 0.480 10.382 0.000) 10.393 3.819 ( -1.311 20.898 0.000) 20.939 4.169 ( -1.042 -0.979 0.000) 1.429 4.247 ( 4.081 11.525 0.000) 12.226 4.364 ( 3.353 23.977 0.000) 24.210 4.520 ( -1.661 8.511 0.000) 8.671 4.586 ( -1.654 28.872 0.000) 28.920 4.621 ( -2.719 37.715 0.000) 37.813 4.702 ( -1.548 20.988 0.000) 21.045 4.862 ( 18.406 -1.097 0.000) 18.439 4.948 ( -2.480 6.220 0.000) 6.696 5.063 ( 12.263 4.350 0.000) 13.012 5.139 ( -0.509 7.449 0.000) 7.467 5.413 ( -8.538 -1.885 0.000) 8.744 5.866 ( -11.335 -10.101 0.000) 15.183 6.653 ( 7.232 -4.644 0.000) 8.595 6.829 ( 0.668 1.083 0.000) 1.272 6.883 ( 2.150 -2.301 0.000) 3.149 6.884 ( -6.900 -6.451 0.000) 9.446 7.198 ( 3.095 -6.525 0.000) 7.222 7.327 ( 10.678 -8.514 0.000) 13.657 7.409 ( -8.439 -4.651 0.000) 9.636 7.793 ( 1.948 -13.083 0.000) 13.227 8.410 ( 10.586 -6.077 0.000) 12.207 8.578 ( -4.436 -5.483 0.000) 7.052 8.889 ( 1.344 3.841 0.000) 4.069 8.922 ( -9.531 -6.294 0.000) 11.421 8.923 ( 7.945 -1.112 0.000) 8.023 9.049 ( -0.082 22.638 0.000) 22.639 9.109 ( -4.703 12.284 0.000) 13.153 9.489 ( -2.116 4.306 0.000) 4.798 9.903 ( 1.927 27.016 0.000) 27.085 10.070 ( -0.232 23.971 0.000) 23.972 10.117 ( 2.611 6.967 0.000) 7.440 10.255 ( -6.304 10.816 0.000) 12.519 10.395 ( 9.019 16.989 0.000) 19.234 10.796 ( 6.936 4.223 0.000) 8.120 10.921 ( 0.736 1.715 0.000) 1.866 10.972 ( -3.213 4.929 0.000) 5.884 11.229 ( 7.384 1.904 0.000) 7.626 11.249 ( -0.842 2.761 0.000) 2.886 11.444 ( -7.174 2.985 0.000) 7.770 11.698 ( -0.558 7.312 0.000) 7.333 11.852 ( 10.377 3.792 0.000) 11.048 12.349 ( 5.027 -6.402 0.000) 8.140 12.491 ( -5.359 6.224 0.000) 8.213 12.883 ( -21.137 -3.997 0.000) 21.511 13.175 ( -2.918 -3.682 0.000) 4.698 13.260 ( -7.711 -3.407 0.000) 8.430 13.504 ( 2.972 -9.364 0.000) 9.824 13.598 ( 1.501 -8.885 0.000) 9.011 13.880 ( -8.114 -8.064 0.000) 11.440 14.176 ( 2.801 8.733 0.000) 9.171 14.218 ( -18.517 1.934 0.000) 18.617 14.361 ( 6.438 1.775 0.000) 6.678 14.631 ( -2.456 -4.944 0.000) 5.521 14.700 ( 1.060 -10.215 0.000) 10.270 14.835 ( 4.043 -2.513 0.000) 4.761 14.995 ( 2.913 -8.267 0.000) 8.765 16.996 ( 5.696 6.429 0.000) 8.589 17.196 ( 1.122 2.373 0.000) 2.625 17.477 ( 1.782 -3.874 0.000) 4.264 17.653 ( -2.705 -2.960 0.000) 4.010 18.737 ( 2.253 -12.681 0.000) 12.880 18.829 ( -0.322 -13.688 0.000) 13.692 19.094 ( 1.284 -15.298 0.000) 15.352 19.348 ( -4.771 -19.989 0.000) 20.550 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 10.443 19.765 0.000) 22.354 1.625 ( 19.303 16.311 0.000) 25.272 1.742 ( -2.705 13.064 0.000) 13.341 2.073 ( -18.442 13.746 0.000) 23.001 2.193 ( 6.421 9.973 0.000) 11.861 2.336 ( -7.298 7.508 0.000) 10.471 2.696 ( 3.895 11.002 0.000) 11.671 2.729 ( 2.897 19.968 0.000) 20.177 2.852 ( 10.846 29.264 0.000) 31.209 2.930 ( -0.945 9.640 0.000) 9.686 3.005 ( -7.815 7.243 0.000) 10.656 3.007 ( -2.690 20.617 0.000) 20.792 3.101 ( 2.046 19.486 0.000) 19.593 3.232 ( -6.429 18.450 0.000) 19.538 3.369 ( 0.406 21.743 0.000) 21.747 3.369 ( -1.121 18.715 0.000) 18.749 3.733 ( -0.807 9.689 0.000) 9.723 3.744 ( -2.062 16.412 0.000) 16.541 3.913 ( 7.842 3.535 0.000) 8.602 4.086 ( -6.862 0.247 0.000) 6.866 4.435 ( 2.856 21.140 0.000) 21.332 4.453 ( 3.141 4.629 0.000) 5.594 4.508 ( 9.064 23.414 0.000) 25.107 4.566 ( -2.106 37.512 0.000) 37.571 4.573 ( 2.834 24.206 0.000) 24.372 4.741 ( 5.211 18.844 0.000) 19.551 4.827 ( -9.369 10.753 0.000) 14.262 4.956 ( -15.398 1.516 0.000) 15.472 5.216 ( 12.986 -1.488 0.000) 13.071 5.302 ( 11.138 -3.103 0.000) 11.563 5.328 ( -0.774 4.152 0.000) 4.224 5.589 ( -14.349 -10.845 0.000) 17.986 6.800 ( 2.425 -4.285 0.000) 4.924 6.812 ( 3.525 -6.452 0.000) 7.352 6.831 ( -1.146 -2.628 0.000) 2.867 6.894 ( -1.846 -6.189 0.000) 6.458 7.235 ( 0.664 -2.352 0.000) 2.444 7.267 ( -3.793 -0.425 0.000) 3.817 7.569 ( 11.598 -9.163 0.000) 14.781 7.762 ( -5.669 -11.349 0.000) 12.686 8.540 ( 0.845 -6.171 0.000) 6.229 8.586 ( 0.772 -5.895 0.000) 5.945 8.751 ( 0.800 -0.658 0.000) 1.036 8.862 ( -4.552 3.299 0.000) 5.622 9.054 ( 2.287 18.461 0.000) 18.602 9.082 ( -0.501 15.125 0.000) 15.133 9.119 ( 9.311 2.949 0.000) 9.767 9.340 ( -10.496 2.988 0.000) 10.913 9.971 ( 4.649 25.048 0.000) 25.476 10.071 ( 0.100 16.704 0.000) 16.705 10.081 ( -3.821 19.989 0.000) 20.351 10.132 ( -4.705 13.800 0.000) 14.580 10.655 ( 11.096 4.532 0.000) 11.986 10.806 ( -4.535 -0.372 0.000) 4.550 10.976 ( 4.704 1.024 0.000) 4.814 11.031 ( 3.771 6.650 0.000) 7.645 11.196 ( -1.309 5.230 0.000) 5.391 11.274 ( -5.520 4.421 0.000) 7.073 11.539 ( 18.643 4.283 0.000) 19.129 11.742 ( 3.187 4.251 0.000) 5.313 11.971 ( -0.211 5.039 0.000) 5.043 12.202 ( -24.649 -0.310 0.000) 24.651 12.459 ( 4.564 1.984 0.000) 4.977 12.551 ( -2.201 -1.745 0.000) 2.809 13.092 ( -3.797 -1.995 0.000) 4.289 13.104 ( -6.016 0.812 0.000) 6.070 13.577 ( 4.039 -7.330 0.000) 8.369 13.638 ( 0.636 -4.289 0.000) 4.336 13.752 ( -1.896 -11.878 0.000) 12.029 13.874 ( -11.995 -5.905 0.000) 13.369 14.280 ( 5.904 6.205 0.000) 8.565 14.389 ( -3.522 5.504 0.000) 6.534 14.650 ( 3.465 -6.306 0.000) 7.195 14.705 ( -1.172 -6.562 0.000) 6.665 14.921 ( 4.121 -5.343 0.000) 6.748 14.995 ( -2.403 -6.890 0.000) 7.297 17.125 ( 5.580 4.346 0.000) 7.073 17.200 ( -1.390 2.884 0.000) 3.201 17.527 ( 2.849 -3.326 0.000) 4.380 17.590 ( -3.113 -2.683 0.000) 4.110 18.783 ( 1.971 -13.602 0.000) 13.744 18.815 ( -1.054 -13.690 0.000) 13.730 19.139 ( 3.233 -16.108 0.000) 16.429 19.233 ( -5.529 -17.908 0.000) 18.742 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.526 ( 0.000 20.599 0.000) 20.599 1.781 ( 0.000 24.179 0.000) 24.179 2.125 ( 0.000 10.292 0.000) 10.292 2.134 ( 0.000 22.669 0.000) 22.669 2.544 ( 0.000 4.611 0.000) 4.611 2.615 ( 0.000 -0.662 0.000) 0.662 2.878 ( 0.000 5.044 0.000) 5.044 2.926 ( 0.000 1.499 0.000) 1.499 3.105 ( 0.000 11.768 0.000) 11.768 3.261 ( 0.000 1.988 0.000) 1.988 3.335 ( 0.000 40.705 0.000) 40.705 3.518 ( 0.000 8.908 0.000) 8.908 3.553 ( 0.000 22.016 0.000) 22.016 3.678 ( 0.000 11.461 0.000) 11.461 3.728 ( 0.000 7.931 0.000) 7.931 3.804 ( 0.000 22.203 0.000) 22.203 3.911 ( 0.000 25.431 0.000) 25.431 4.161 ( 0.000 0.546 0.000) 0.546 4.202 ( 0.000 26.134 0.000) 26.134 4.394 ( 0.000 26.940 0.000) 26.940 4.531 ( 0.000 -1.068 0.000) 1.068 4.534 ( 0.000 3.338 0.000) 3.338 4.559 ( 0.000 9.552 0.000) 9.552 4.780 ( 0.000 0.334 0.000) 0.334 4.804 ( 0.000 16.489 0.000) 16.489 5.172 ( 0.000 9.535 0.000) 9.535 5.305 ( 0.000 35.824 0.000) 35.824 5.353 ( 0.000 1.024 0.000) 1.024 5.368 ( 0.000 25.294 0.000) 25.294 5.544 ( 0.000 38.487 0.000) 38.487 5.597 ( 0.000 25.278 0.000) 25.278 5.902 ( 0.000 2.889 0.000) 2.889 6.472 ( 0.000 -4.295 0.000) 4.295 6.801 ( 0.000 -9.490 0.000) 9.490 6.830 ( 0.000 -2.090 0.000) 2.090 6.880 ( 0.000 3.065 0.000) 3.065 6.992 ( 0.000 -7.598 0.000) 7.598 7.062 ( 0.000 -3.931 0.000) 3.931 7.410 ( 0.000 -4.593 0.000) 4.593 7.460 ( 0.000 -13.946 0.000) 13.946 8.197 ( 0.000 -1.625 0.000) 1.625 8.620 ( 0.000 -2.674 0.000) 2.674 8.645 ( 0.000 -5.028 0.000) 5.028 8.874 ( 0.000 -7.272 0.000) 7.272 8.963 ( 0.000 4.990 0.000) 4.990 9.268 ( 0.000 0.162 0.000) 0.162 9.415 ( 0.000 10.705 0.000) 10.705 9.659 ( 0.000 8.698 0.000) 8.698 10.260 ( 0.000 12.542 0.000) 12.542 10.301 ( 0.000 8.149 0.000) 8.149 10.381 ( 0.000 6.426 0.000) 6.426 10.543 ( 0.000 11.976 0.000) 11.976 10.798 ( 0.000 8.130 0.000) 8.130 10.830 ( 0.000 23.750 0.000) 23.750 11.035 ( 0.000 6.264 0.000) 6.264 11.175 ( 0.000 3.748 0.000) 3.748 11.253 ( 0.000 4.492 0.000) 4.492 11.281 ( 0.000 11.496 0.000) 11.496 11.560 ( 0.000 2.594 0.000) 2.594 11.890 ( 0.000 14.486 0.000) 14.486 11.915 ( 0.000 10.092 0.000) 10.092 12.185 ( 0.000 -4.579 0.000) 4.579 12.687 ( 0.000 4.281 0.000) 4.281 12.873 ( 0.000 -9.644 0.000) 9.644 13.136 ( 0.000 -2.256 0.000) 2.256 13.354 ( 0.000 -4.896 0.000) 4.896 13.359 ( 0.000 5.986 0.000) 5.986 13.396 ( 0.000 -7.155 0.000) 7.155 13.867 ( 0.000 -7.013 0.000) 7.013 14.120 ( 0.000 -10.551 0.000) 10.551 14.337 ( 0.000 -14.413 0.000) 14.413 14.414 ( 0.000 11.621 0.000) 11.621 14.555 ( 0.000 -1.543 0.000) 1.543 14.596 ( 0.000 -3.981 0.000) 3.981 14.691 ( 0.000 -9.961 0.000) 9.961 14.707 ( 0.000 -6.830 0.000) 6.830 17.014 ( 0.000 1.068 0.000) 1.068 17.232 ( 0.000 2.819 0.000) 2.819 17.391 ( 0.000 -2.189 0.000) 2.189 17.591 ( 0.000 -5.135 0.000) 5.135 18.442 ( 0.000 -14.213 0.000) 14.213 18.516 ( 0.000 -16.569 0.000) 16.569 18.729 ( 0.000 -18.663 0.000) 18.663 18.946 ( 0.000 -22.742 0.000) 22.742 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 10.672 19.244 0.000) 22.005 1.834 ( 4.803 22.578 0.000) 23.083 2.066 ( 0.201 15.835 0.000) 15.837 2.292 ( 8.076 14.697 0.000) 16.769 2.524 ( -0.721 6.713 0.000) 6.751 2.660 ( 0.668 1.607 0.000) 1.740 2.715 ( -13.879 3.383 0.000) 14.285 2.872 ( 0.013 4.607 0.000) 4.607 3.076 ( -1.529 4.073 0.000) 4.351 3.328 ( -12.462 8.199 0.000) 14.918 3.382 ( 7.936 8.866 0.000) 11.899 3.418 ( 5.935 34.081 0.000) 34.594 3.558 ( 0.029 19.404 0.000) 19.404 3.639 ( -2.834 17.313 0.000) 17.544 3.796 ( 3.257 12.343 0.000) 12.766 3.826 ( 1.296 23.716 0.000) 23.751 3.873 ( -2.561 16.424 0.000) 16.622 4.140 ( -5.213 20.624 0.000) 21.273 4.181 ( 1.415 3.180 0.000) 3.480 4.288 ( -6.592 21.631 0.000) 22.613 4.440 ( -2.903 8.523 0.000) 9.004 4.628 ( 5.161 7.266 0.000) 8.912 4.664 ( 4.770 7.665 0.000) 9.028 4.888 ( 11.130 4.545 0.000) 12.022 4.928 ( 8.166 8.490 0.000) 11.780 5.147 ( -5.663 3.183 0.000) 6.496 5.240 ( -4.296 10.339 0.000) 11.196 5.312 ( 0.687 36.720 0.000) 36.726 5.376 ( -1.661 21.395 0.000) 21.459 5.575 ( 2.739 36.832 0.000) 36.934 5.628 ( 2.276 26.823 0.000) 26.919 5.742 ( -12.815 5.052 0.000) 13.775 6.549 ( 6.569 -4.970 0.000) 8.237 6.747 ( -4.828 -6.625 0.000) 8.198 6.805 ( -2.644 -4.053 0.000) 4.839 6.870 ( -1.125 1.684 0.000) 2.025 7.057 ( 7.543 -7.500 0.000) 10.637 7.170 ( 7.240 -6.028 0.000) 9.421 7.328 ( -4.354 -3.549 0.000) 5.617 7.516 ( 1.935 -13.281 0.000) 13.421 8.307 ( 9.340 -3.001 0.000) 9.811 8.490 ( -4.223 -1.955 0.000) 4.654 8.795 ( -6.851 -5.372 0.000) 8.706 8.848 ( 10.320 -4.164 0.000) 11.128 8.965 ( 0.058 3.019 0.000) 3.019 9.264 ( 0.905 3.840 0.000) 3.945 9.392 ( -1.825 10.382 0.000) 10.541 9.606 ( -6.455 4.987 0.000) 8.156 10.279 ( -0.506 6.736 0.000) 6.754 10.314 ( 4.408 11.420 0.000) 12.242 10.436 ( 3.302 10.790 0.000) 11.284 10.520 ( -0.375 16.163 0.000) 16.167 10.815 ( 1.828 18.240 0.000) 18.332 10.939 ( 6.446 9.324 0.000) 11.335 10.984 ( -4.694 5.567 0.000) 7.282 11.037 ( -3.964 2.473 0.000) 4.672 11.345 ( 5.391 9.891 0.000) 11.264 11.356 ( 3.401 6.730 0.000) 7.540 11.537 ( -0.528 7.738 0.000) 7.756 11.861 ( -3.280 8.335 0.000) 8.958 12.006 ( 8.394 10.601 0.000) 13.522 12.205 ( 0.893 -7.207 0.000) 7.262 12.585 ( -8.100 3.024 0.000) 8.646 12.767 ( -11.361 -6.077 0.000) 12.884 13.110 ( -2.491 -2.191 0.000) 3.318 13.209 ( -5.741 -1.236 0.000) 5.873 13.426 ( 3.086 -6.805 0.000) 7.472 13.463 ( 4.019 4.459 0.000) 6.003 13.764 ( -6.367 -3.552 0.000) 7.290 14.185 ( -18.038 -3.269 0.000) 18.332 14.271 ( 10.220 -11.601 0.000) 15.460 14.337 ( -1.321 -2.419 0.000) 2.756 14.521 ( 2.601 0.437 0.000) 2.638 14.551 ( -3.561 -1.909 0.000) 4.040 14.723 ( 1.040 -8.483 0.000) 8.547 14.795 ( 3.011 -10.257 0.000) 10.690 17.071 ( 4.889 1.014 0.000) 4.993 17.245 ( 0.904 2.351 0.000) 2.519 17.410 ( 1.809 -2.303 0.000) 2.928 17.572 ( -1.747 -4.559 0.000) 4.882 18.452 ( 0.977 -14.824 0.000) 14.856 18.514 ( -0.207 -16.458 0.000) 16.459 18.740 ( 1.048 -18.633 0.000) 18.663 18.909 ( -3.185 -21.978 0.000) 22.208 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 15.455 14.212 0.000) 20.996 1.956 ( 6.018 18.794 0.000) 19.734 2.062 ( -1.719 16.691 0.000) 16.780 2.319 ( -18.986 10.083 0.000) 21.498 2.439 ( 5.511 13.741 0.000) 14.805 2.513 ( -1.575 10.979 0.000) 11.091 2.753 ( 5.461 -0.430 0.000) 5.478 2.871 ( -2.513 2.596 0.000) 3.613 3.053 ( -0.750 3.177 0.000) 3.264 3.084 ( -6.931 2.472 0.000) 7.359 3.539 ( 3.834 24.900 0.000) 25.193 3.569 ( 4.179 5.959 0.000) 7.279 3.576 ( -0.407 24.628 0.000) 24.631 3.586 ( 5.359 26.660 0.000) 27.194 3.768 ( -4.342 15.445 0.000) 16.044 3.799 ( -4.611 26.453 0.000) 26.852 3.907 ( 5.269 8.057 0.000) 9.627 4.028 ( -5.346 10.739 0.000) 11.996 4.173 ( -1.851 11.461 0.000) 11.609 4.173 ( -3.123 21.136 0.000) 21.365 4.500 ( 8.507 4.701 0.000) 9.719 4.663 ( -3.405 7.027 0.000) 7.809 4.777 ( 6.001 11.748 0.000) 13.192 4.938 ( -10.465 3.251 0.000) 10.959 5.068 ( 6.465 7.567 0.000) 9.953 5.162 ( 11.863 0.073 0.000) 11.863 5.182 ( -3.961 11.576 0.000) 12.235 5.321 ( -3.505 16.620 0.000) 16.985 5.338 ( 2.240 38.580 0.000) 38.645 5.472 ( -11.231 16.563 0.000) 20.011 5.638 ( 2.630 32.736 0.000) 32.841 5.663 ( 0.451 29.315 0.000) 29.319 6.664 ( 1.190 -7.426 0.000) 7.520 6.716 ( 5.310 -3.455 0.000) 6.335 6.723 ( -4.416 -6.727 0.000) 8.047 6.822 ( -3.708 -1.391 0.000) 3.961 7.192 ( 4.302 -2.207 0.000) 4.835 7.257 ( -2.656 -0.798 0.000) 2.773 7.351 ( 9.270 -11.622 0.000) 14.866 7.499 ( -4.046 -13.852 0.000) 14.430 8.455 ( 0.717 -1.201 0.000) 1.398 8.478 ( 2.352 -3.360 0.000) 4.101 8.704 ( 3.147 -1.999 0.000) 3.729 8.861 ( -7.032 -1.174 0.000) 7.129 9.119 ( 12.348 -1.526 0.000) 12.442 9.309 ( 2.465 6.904 0.000) 7.331 9.356 ( -1.619 9.503 0.000) 9.640 9.391 ( -12.557 1.381 0.000) 12.632 10.318 ( 3.915 8.804 0.000) 9.635 10.412 ( -2.820 13.652 0.000) 13.940 10.429 ( 4.346 14.112 0.000) 14.767 10.514 ( -1.426 20.424 0.000) 20.474 10.835 ( -5.223 2.962 0.000) 6.004 10.838 ( -4.208 8.968 0.000) 9.906 11.041 ( 13.076 6.395 0.000) 14.556 11.187 ( 4.982 8.311 0.000) 9.690 11.349 ( -1.964 9.041 0.000) 9.252 11.396 ( -2.180 7.540 0.000) 7.849 11.649 ( 12.264 7.266 0.000) 14.255 11.838 ( -0.506 4.756 0.000) 4.782 12.091 ( -2.582 5.862 0.000) 6.406 12.123 ( -9.592 -6.101 0.000) 11.368 12.473 ( -0.083 0.242 0.000) 0.256 12.527 ( -6.061 -0.083 0.000) 6.062 13.069 ( -0.022 0.158 0.000) 0.160 13.121 ( -3.756 0.846 0.000) 3.851 13.535 ( 7.745 -5.717 0.000) 9.626 13.546 ( 4.178 4.153 0.000) 5.891 13.644 ( -5.059 1.390 0.000) 5.246 13.789 ( -16.743 -2.899 0.000) 16.992 14.370 ( 3.276 -2.178 0.000) 3.934 14.433 ( 0.576 -12.157 0.000) 12.171 14.496 ( 2.222 2.258 0.000) 3.168 14.552 ( -0.389 -3.529 0.000) 3.550 14.747 ( 1.608 -11.062 0.000) 11.178 14.794 ( -2.215 -11.761 0.000) 11.967 17.182 ( 4.791 1.033 0.000) 4.901 17.247 ( -1.274 1.498 0.000) 1.967 17.461 ( 2.879 -2.743 0.000) 3.976 17.523 ( -2.842 -3.535 0.000) 4.536 18.479 ( 1.393 -15.740 0.000) 15.801 18.504 ( -0.880 -16.205 0.000) 16.229 18.773 ( 2.139 -18.995 0.000) 19.115 18.833 ( -3.580 -20.306 0.000) 20.619 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.913 ( 0.000 17.179 0.000) 17.179 2.225 ( 0.000 19.005 0.000) 19.005 2.349 ( 0.000 11.376 0.000) 11.376 2.578 ( 0.000 19.966 0.000) 19.966 2.599 ( 0.000 -0.649 0.000) 0.649 2.612 ( 0.000 1.888 0.000) 1.888 2.979 ( 0.000 5.094 0.000) 5.094 3.014 ( 0.000 7.192 0.000) 7.192 3.200 ( 0.000 0.442 0.000) 0.442 3.283 ( 0.000 1.297 0.000) 1.297 3.512 ( 0.000 -3.803 0.000) 3.803 3.759 ( 0.000 3.396 0.000) 3.396 3.827 ( 0.000 4.170 0.000) 4.170 3.946 ( 0.000 14.472 0.000) 14.472 4.123 ( 0.000 5.624 0.000) 5.624 4.247 ( 0.000 24.454 0.000) 24.454 4.292 ( 0.000 21.417 0.000) 21.417 4.322 ( 0.000 10.776 0.000) 10.776 4.437 ( 0.000 -6.504 0.000) 6.504 4.583 ( 0.000 -1.992 0.000) 1.992 4.689 ( 0.000 14.763 0.000) 14.763 4.730 ( 0.000 22.778 0.000) 22.778 4.914 ( 0.000 22.875 0.000) 22.875 5.084 ( 0.000 23.272 0.000) 23.272 5.191 ( 0.000 19.672 0.000) 19.672 5.199 ( 0.000 -1.084 0.000) 1.084 5.460 ( 0.000 7.723 0.000) 7.723 5.489 ( 0.000 -3.430 0.000) 3.430 6.005 ( 0.000 30.667 0.000) 30.667 6.186 ( 0.000 8.246 0.000) 8.246 6.216 ( 0.000 28.696 0.000) 28.696 6.286 ( 0.000 32.211 0.000) 32.211 6.500 ( 0.000 13.929 0.000) 13.929 6.634 ( 0.000 -6.474 0.000) 6.474 6.776 ( 0.000 -2.017 0.000) 2.017 6.884 ( 0.000 -1.344 0.000) 1.344 6.952 ( 0.000 4.345 0.000) 4.345 7.008 ( 0.000 -0.878 0.000) 0.878 7.199 ( 0.000 -10.885 0.000) 10.885 7.336 ( 0.000 -2.917 0.000) 2.917 8.233 ( 0.000 5.416 0.000) 5.416 8.609 ( 0.000 2.099 0.000) 2.099 8.618 ( 0.000 2.955 0.000) 2.955 8.760 ( 0.000 -3.050 0.000) 3.050 9.065 ( 0.000 4.957 0.000) 4.957 9.270 ( 0.000 0.184 0.000) 0.184 9.525 ( 0.000 1.303 0.000) 1.303 9.754 ( 0.000 0.748 0.000) 0.748 10.320 ( 0.000 -1.314 0.000) 1.314 10.467 ( 0.000 6.935 0.000) 6.935 10.485 ( 0.000 4.678 0.000) 4.678 10.715 ( 0.000 2.272 0.000) 2.272 11.025 ( 0.000 -0.582 0.000) 0.582 11.026 ( 0.000 13.384 0.000) 13.384 11.174 ( 0.000 -3.635 0.000) 3.635 11.179 ( 0.000 7.276 0.000) 7.276 11.450 ( 0.000 13.995 0.000) 13.995 11.627 ( 0.000 17.672 0.000) 17.672 11.783 ( 0.000 16.839 0.000) 16.839 12.079 ( 0.000 -6.589 0.000) 6.589 12.118 ( 0.000 9.009 0.000) 9.009 12.164 ( 0.000 10.514 0.000) 10.514 12.708 ( 0.000 -6.105 0.000) 6.105 12.756 ( 0.000 3.625 0.000) 3.625 13.130 ( 0.000 2.293 0.000) 2.293 13.207 ( 0.000 -9.216 0.000) 9.216 13.314 ( 0.000 -1.373 0.000) 1.373 13.607 ( 0.000 15.149 0.000) 15.149 13.740 ( 0.000 -4.983 0.000) 4.983 13.822 ( 0.000 -17.272 0.000) 17.272 13.988 ( 0.000 -17.299 0.000) 17.299 14.496 ( 0.000 -13.457 0.000) 13.457 14.503 ( 0.000 -5.024 0.000) 5.024 14.510 ( 0.000 -4.869 0.000) 4.869 14.569 ( 0.000 1.861 0.000) 1.861 14.651 ( 0.000 8.196 0.000) 8.196 16.999 ( 0.000 -1.755 0.000) 1.755 17.299 ( 0.000 3.859 0.000) 3.859 17.370 ( 0.000 -0.054 0.000) 0.054 17.481 ( 0.000 -5.479 0.000) 5.479 18.144 ( 0.000 -14.389 0.000) 14.389 18.176 ( 0.000 -16.123 0.000) 16.123 18.342 ( 0.000 -18.520 0.000) 18.520 18.506 ( 0.000 -19.556 0.000) 19.556 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 8.603 16.046 0.000) 18.207 2.250 ( 2.224 17.752 0.000) 17.891 2.350 ( 0.655 12.192 0.000) 12.209 2.593 ( 0.893 1.062 0.000) 1.388 2.632 ( 4.340 16.920 0.000) 17.468 2.664 ( 1.801 -0.682 0.000) 1.925 2.864 ( -9.183 10.729 0.000) 14.122 2.967 ( -0.778 4.932 0.000) 4.993 3.156 ( -2.205 4.186 0.000) 4.731 3.383 ( -12.667 1.046 0.000) 12.710 3.410 ( 7.448 -1.739 0.000) 7.648 3.714 ( 1.327 -0.537 0.000) 1.432 3.830 ( -0.848 2.630 0.000) 2.764 3.940 ( -0.631 13.616 0.000) 13.630 4.080 ( -6.582 1.007 0.000) 6.658 4.277 ( 5.006 30.740 0.000) 31.145 4.297 ( -8.211 3.956 0.000) 9.115 4.339 ( 1.247 15.588 0.000) 15.637 4.409 ( 5.890 12.117 0.000) 13.472 4.606 ( 1.088 9.159 0.000) 9.223 4.750 ( 6.421 4.717 0.000) 7.968 4.766 ( -0.510 23.630 0.000) 23.635 4.886 ( -1.519 15.211 0.000) 15.287 5.109 ( 3.153 17.408 0.000) 17.691 5.112 ( -7.084 -1.144 0.000) 7.176 5.261 ( 5.276 20.136 0.000) 20.816 5.417 ( -1.234 4.135 0.000) 4.315 5.495 ( -2.489 4.964 0.000) 5.553 6.020 ( 1.284 30.341 0.000) 30.368 6.149 ( -2.699 15.689 0.000) 15.920 6.247 ( 2.850 27.942 0.000) 28.087 6.302 ( 1.340 31.649 0.000) 31.677 6.513 ( 1.433 3.704 0.000) 3.971 6.663 ( 0.592 2.497 0.000) 2.566 6.726 ( -4.563 -2.245 0.000) 5.085 6.911 ( 5.673 -5.454 0.000) 7.869 6.921 ( -2.973 3.796 0.000) 4.821 7.087 ( 5.089 -2.089 0.000) 5.502 7.203 ( 0.340 -9.553 0.000) 9.559 7.320 ( -1.829 -4.514 0.000) 4.870 8.318 ( 7.472 4.439 0.000) 8.691 8.526 ( -2.143 5.693 0.000) 6.083 8.730 ( -2.501 -0.459 0.000) 2.543 8.797 ( 10.750 -0.080 0.000) 10.750 9.026 ( -3.927 3.364 0.000) 5.171 9.308 ( 3.648 0.980 0.000) 3.777 9.516 ( -0.874 2.625 0.000) 2.767 9.650 ( -9.755 -0.182 0.000) 9.757 10.333 ( 2.341 0.762 0.000) 2.462 10.504 ( 4.414 6.036 0.000) 7.478 10.575 ( 5.863 4.471 0.000) 7.373 10.726 ( 1.387 2.771 0.000) 3.099 10.960 ( -3.541 -0.249 0.000) 3.550 11.098 ( -6.070 2.183 0.000) 6.450 11.153 ( 9.745 11.055 0.000) 14.737 11.162 ( -1.772 9.929 0.000) 10.086 11.525 ( 4.941 10.648 0.000) 11.739 11.610 ( -2.239 10.766 0.000) 10.996 11.799 ( 2.067 17.422 0.000) 17.544 11.990 ( -4.302 -0.662 0.000) 4.352 12.087 ( -5.505 -0.448 0.000) 5.523 12.218 ( 3.419 8.438 0.000) 9.104 12.641 ( -9.091 3.391 0.000) 9.703 12.663 ( -4.715 -3.744 0.000) 6.021 13.100 ( -1.936 1.389 0.000) 2.383 13.163 ( -1.957 -4.008 0.000) 4.461 13.349 ( 3.521 -0.679 0.000) 3.586 13.660 ( 3.213 12.898 0.000) 13.292 13.718 ( -0.468 -1.743 0.000) 1.805 13.956 ( -5.118 -16.221 0.000) 17.009 13.956 ( 9.325 -16.620 0.000) 19.058 14.291 ( -10.702 0.845 0.000) 10.736 14.485 ( -0.610 -11.319 0.000) 11.335 14.516 ( 0.464 -5.407 0.000) 5.427 14.590 ( -1.615 -4.377 0.000) 4.666 14.672 ( -0.332 4.531 0.000) 4.544 17.059 ( 5.197 -1.430 0.000) 5.390 17.292 ( -0.661 2.252 0.000) 2.347 17.390 ( 1.571 0.260 0.000) 1.592 17.475 ( -0.611 -4.805 0.000) 4.844 18.145 ( 0.199 -14.750 0.000) 14.752 18.177 ( 0.020 -15.990 0.000) 15.990 18.357 ( 1.310 -18.155 0.000) 18.203 18.482 ( -2.071 -19.076 0.000) 19.188 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 9.624 13.160 0.000) 16.304 2.301 ( 1.882 14.803 0.000) 14.923 2.368 ( 0.643 12.653 0.000) 12.670 2.483 ( -10.612 6.299 0.000) 12.341 2.726 ( 3.884 12.318 0.000) 12.915 2.735 ( 6.125 -1.025 0.000) 6.210 2.795 ( 1.051 15.710 0.000) 15.745 2.933 ( -5.143 4.789 0.000) 7.028 3.115 ( -1.610 3.592 0.000) 3.936 3.130 ( -6.681 3.287 0.000) 7.446 3.566 ( 7.875 -2.780 0.000) 8.351 3.735 ( -6.740 -2.231 0.000) 7.100 3.827 ( 6.517 0.635 0.000) 6.548 3.921 ( -1.227 9.977 0.000) 10.052 3.971 ( -1.871 4.917 0.000) 5.261 4.069 ( -10.760 0.478 0.000) 10.771 4.382 ( 4.024 30.024 0.000) 30.292 4.401 ( 2.114 23.911 0.000) 24.004 4.548 ( 7.040 18.166 0.000) 19.483 4.632 ( 3.033 8.710 0.000) 9.223 4.676 ( -6.050 25.775 0.000) 26.475 4.785 ( -9.001 3.832 0.000) 9.782 4.910 ( 7.183 2.227 0.000) 7.520 5.012 ( -2.777 3.915 0.000) 4.800 5.213 ( 6.194 9.505 0.000) 11.346 5.347 ( -6.129 3.294 0.000) 6.958 5.368 ( 4.443 17.656 0.000) 18.206 5.436 ( -2.178 13.965 0.000) 14.133 6.053 ( 1.800 28.749 0.000) 28.805 6.095 ( -2.293 24.606 0.000) 24.713 6.315 ( 2.645 29.833 0.000) 29.950 6.330 ( 0.886 31.052 0.000) 31.065 6.531 ( 1.183 -4.521 0.000) 4.673 6.609 ( -5.723 -3.397 0.000) 6.655 6.715 ( 4.969 6.217 0.000) 7.959 6.831 ( -5.401 3.739 0.000) 6.569 7.082 ( 8.831 -9.969 0.000) 13.318 7.175 ( 3.032 -3.114 0.000) 4.347 7.203 ( -0.874 -9.267 0.000) 9.308 7.246 ( -5.288 -5.296 0.000) 7.484 8.480 ( 5.150 3.851 0.000) 6.431 8.509 ( 0.064 6.455 0.000) 6.455 8.713 ( 3.476 3.351 0.000) 4.828 8.872 ( -8.347 3.041 0.000) 8.884 9.075 ( 13.484 -1.751 0.000) 13.597 9.370 ( -10.215 0.002 0.000) 10.215 9.417 ( 0.326 1.442 0.000) 1.478 9.484 ( -2.384 3.504 0.000) 4.239 10.428 ( 6.194 2.530 0.000) 6.691 10.555 ( -4.249 2.679 0.000) 5.023 10.686 ( 8.951 8.838 0.000) 12.579 10.789 ( 4.530 4.760 0.000) 6.571 10.917 ( -4.303 0.039 0.000) 4.303 10.918 ( -10.236 5.402 0.000) 11.574 11.225 ( 11.468 10.072 0.000) 15.263 11.354 ( 6.842 7.439 0.000) 10.107 11.536 ( -4.371 4.207 0.000) 6.067 11.540 ( -5.906 9.167 0.000) 10.905 11.857 ( 2.731 12.238 0.000) 12.539 11.922 ( -5.139 2.594 0.000) 5.757 12.007 ( 5.104 -3.757 0.000) 6.337 12.184 ( -8.161 3.054 0.000) 8.714 12.508 ( -1.171 3.464 0.000) 3.656 12.552 ( -4.437 2.157 0.000) 4.934 13.101 ( 2.158 2.696 0.000) 3.454 13.143 ( -1.044 1.261 0.000) 1.637 13.463 ( 7.984 -1.694 0.000) 8.161 13.680 ( -6.200 2.081 0.000) 6.540 13.718 ( 0.167 4.352 0.000) 4.355 13.740 ( -7.408 1.805 0.000) 7.625 14.130 ( 5.881 -14.600 0.000) 15.741 14.190 ( -1.193 -9.076 0.000) 9.154 14.491 ( 1.595 -12.234 0.000) 12.338 14.537 ( 1.938 -0.499 0.000) 2.002 14.541 ( -2.650 -9.126 0.000) 9.503 14.611 ( -4.523 1.894 0.000) 4.903 17.179 ( 5.429 -0.677 0.000) 5.471 17.263 ( -2.470 0.419 0.000) 2.505 17.424 ( 1.613 -0.933 0.000) 1.863 17.455 ( -1.303 -3.062 0.000) 3.328 18.156 ( 0.779 -15.376 0.000) 15.396 18.172 ( -0.584 -15.745 0.000) 15.755 18.390 ( 1.776 -17.719 0.000) 17.808 18.433 ( -2.331 -18.117 0.000) 18.266 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 0.000 13.944 0.000) 13.944 2.538 ( 0.000 9.622 0.000) 9.622 2.583 ( 0.000 11.327 0.000) 11.327 2.594 ( 0.000 0.123 0.000) 0.123 2.650 ( 0.000 4.238 0.000) 4.238 2.928 ( 0.000 13.604 0.000) 13.604 3.090 ( 0.000 5.852 0.000) 5.852 3.177 ( 0.000 -2.152 0.000) 2.152 3.203 ( 0.000 10.596 0.000) 10.596 3.338 ( 0.000 4.352 0.000) 4.352 3.395 ( 0.000 -7.423 0.000) 7.423 3.754 ( 0.000 -2.733 0.000) 2.733 3.888 ( 0.000 2.497 0.000) 2.497 4.109 ( 0.000 1.153 0.000) 1.153 4.119 ( 0.000 -1.391 0.000) 1.391 4.290 ( 0.000 -7.394 0.000) 7.394 4.396 ( 0.000 -0.321 0.000) 0.321 4.422 ( 0.000 -3.463 0.000) 3.463 4.552 ( 0.000 3.671 0.000) 3.671 4.905 ( 0.000 24.741 0.000) 24.741 4.970 ( 0.000 -1.487 0.000) 1.487 5.068 ( 0.000 18.594 0.000) 18.594 5.301 ( 0.000 15.020 0.000) 15.020 5.314 ( 0.000 12.584 0.000) 12.584 5.532 ( 0.000 18.326 0.000) 18.326 5.545 ( 0.000 13.797 0.000) 13.797 5.554 ( 0.000 11.550 0.000) 11.550 5.578 ( 0.000 3.366 0.000) 3.366 6.193 ( 0.000 -1.240 0.000) 1.240 6.482 ( 0.000 14.968 0.000) 14.968 6.536 ( 0.000 -2.051 0.000) 2.051 6.616 ( 0.000 8.477 0.000) 8.477 6.670 ( 0.000 3.834 0.000) 3.834 6.794 ( 0.000 5.949 0.000) 5.949 6.936 ( 0.000 19.088 0.000) 19.088 7.015 ( 0.000 -3.293 0.000) 3.293 7.036 ( 0.000 16.206 0.000) 16.206 7.116 ( 0.000 8.776 0.000) 8.776 7.120 ( 0.000 14.031 0.000) 14.031 7.280 ( 0.000 -2.487 0.000) 2.487 8.415 ( 0.000 11.753 0.000) 11.753 8.728 ( 0.000 8.910 0.000) 8.910 8.740 ( 0.000 8.440 0.000) 8.440 8.767 ( 0.000 3.800 0.000) 3.800 9.166 ( 0.000 4.808 0.000) 4.808 9.290 ( 0.000 2.147 0.000) 2.147 9.509 ( 0.000 -2.239 0.000) 2.239 9.714 ( 0.000 -3.889 0.000) 3.889 10.340 ( 0.000 4.110 0.000) 4.110 10.553 ( 0.000 2.029 0.000) 2.029 10.555 ( 0.000 1.282 0.000) 1.282 10.674 ( 0.000 -4.866 0.000) 4.866 11.034 ( 0.000 -8.895 0.000) 8.895 11.042 ( 0.000 4.873 0.000) 4.873 11.305 ( 0.000 4.767 0.000) 4.767 11.327 ( 0.000 14.886 0.000) 14.886 11.757 ( 0.000 14.877 0.000) 14.877 11.843 ( 0.000 4.198 0.000) 4.198 11.883 ( 0.000 -12.830 0.000) 12.830 12.129 ( 0.000 13.953 0.000) 13.953 12.256 ( 0.000 3.879 0.000) 3.879 12.290 ( 0.000 2.385 0.000) 2.385 12.622 ( 0.000 -2.955 0.000) 2.955 12.865 ( 0.000 6.340 0.000) 6.340 13.006 ( 0.000 -9.517 0.000) 9.517 13.224 ( 0.000 -12.770 0.000) 12.770 13.256 ( 0.000 10.031 0.000) 10.031 13.537 ( 0.000 -4.977 0.000) 4.977 13.567 ( 0.000 -17.162 0.000) 17.162 13.673 ( 0.000 -1.534 0.000) 1.534 13.991 ( 0.000 14.790 0.000) 14.790 14.175 ( 0.000 -17.349 0.000) 17.349 14.391 ( 0.000 -6.711 0.000) 6.711 14.436 ( 0.000 -1.205 0.000) 1.205 14.619 ( 0.000 2.894 0.000) 2.894 14.789 ( 0.000 4.573 0.000) 4.573 16.972 ( 0.000 -0.288 0.000) 0.288 17.370 ( 0.000 -5.321 0.000) 5.321 17.376 ( 0.000 0.452 0.000) 0.452 17.391 ( 0.000 5.010 0.000) 5.010 17.871 ( 0.000 -11.875 0.000) 11.875 17.875 ( 0.000 -12.917 0.000) 12.917 17.993 ( 0.000 -15.050 0.000) 15.050 18.163 ( 0.000 -13.708 0.000) 13.708 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 6.853 12.819 0.000) 14.536 2.543 ( 0.725 9.032 0.000) 9.061 2.580 ( -0.103 10.439 0.000) 10.439 2.618 ( 2.332 2.491 0.000) 3.412 2.657 ( -0.440 1.290 0.000) 1.363 2.917 ( -1.333 9.444 0.000) 9.538 3.081 ( -0.490 6.418 0.000) 6.437 3.091 ( -1.910 9.517 0.000) 9.707 3.259 ( -0.939 5.982 0.000) 6.056 3.376 ( 4.640 -0.054 0.000) 4.640 3.388 ( -2.398 -1.101 0.000) 2.638 3.665 ( -5.801 -2.342 0.000) 6.256 3.834 ( -1.169 -0.984 0.000) 1.528 4.071 ( -5.427 -0.785 0.000) 5.484 4.074 ( -3.492 -0.537 0.000) 3.533 4.221 ( -6.252 -4.597 0.000) 7.760 4.463 ( 6.685 -1.249 0.000) 6.801 4.567 ( 1.578 1.539 0.000) 2.204 4.588 ( 11.566 -1.902 0.000) 11.722 4.923 ( 1.575 23.691 0.000) 23.743 4.990 ( 1.393 -2.305 0.000) 2.693 5.064 ( 0.003 18.982 0.000) 18.982 5.196 ( -7.483 12.222 0.000) 14.331 5.279 ( -3.677 19.578 0.000) 19.921 5.473 ( -1.587 15.620 0.000) 15.700 5.556 ( -0.281 11.290 0.000) 11.294 5.631 ( 3.313 4.659 0.000) 5.717 5.635 ( 4.305 14.695 0.000) 15.313 6.230 ( 3.671 -0.059 0.000) 3.672 6.470 ( -1.327 13.014 0.000) 13.081 6.494 ( -2.523 0.154 0.000) 2.527 6.642 ( -2.612 3.033 0.000) 4.003 6.681 ( 5.795 6.435 0.000) 8.660 6.863 ( 4.848 4.511 0.000) 6.622 6.910 ( -2.095 15.771 0.000) 15.910 6.995 ( -2.476 17.521 0.000) 17.695 7.022 ( 0.040 1.335 0.000) 1.336 7.101 ( -1.301 8.298 0.000) 8.400 7.153 ( 2.083 11.552 0.000) 11.738 7.257 ( -2.031 -1.838 0.000) 2.739 8.485 ( 6.195 11.274 0.000) 12.864 8.711 ( -0.394 11.434 0.000) 11.440 8.785 ( 1.546 5.666 0.000) 5.873 8.851 ( 8.830 5.177 0.000) 10.236 9.118 ( -4.494 5.627 0.000) 7.202 9.324 ( 3.389 1.146 0.000) 3.577 9.524 ( 0.875 -1.302 0.000) 1.568 9.630 ( -8.159 -1.337 0.000) 8.267 10.359 ( 2.551 2.848 0.000) 3.824 10.554 ( 1.822 -0.602 0.000) 1.918 10.644 ( 5.793 1.744 0.000) 6.050 10.693 ( 2.189 -4.511 0.000) 5.015 10.970 ( -4.945 3.054 0.000) 5.812 11.051 ( 0.129 -6.452 0.000) 6.453 11.341 ( 2.530 7.577 0.000) 7.988 11.400 ( 5.345 12.452 0.000) 13.550 11.723 ( -9.151 0.951 0.000) 9.201 11.763 ( 0.480 5.103 0.000) 5.126 11.838 ( -1.897 -3.538 0.000) 4.015 12.127 ( -0.468 12.749 0.000) 12.758 12.164 ( -8.369 3.700 0.000) 9.151 12.333 ( 1.709 3.340 0.000) 3.752 12.611 ( -0.988 -1.846 0.000) 2.094 12.729 ( -10.616 3.949 0.000) 11.327 13.046 ( 4.046 -7.126 0.000) 8.194 13.119 ( -2.658 -3.511 0.000) 4.404 13.385 ( 3.991 4.479 0.000) 5.999 13.569 ( -0.929 -17.645 0.000) 17.670 13.586 ( 5.979 -7.924 0.000) 9.927 13.783 ( 8.426 -0.169 0.000) 8.428 13.973 ( -1.948 13.311 0.000) 13.453 14.186 ( 1.361 -15.338 0.000) 15.399 14.329 ( -9.466 2.444 0.000) 9.777 14.420 ( 2.818 -5.505 0.000) 6.185 14.519 ( -6.775 -1.041 0.000) 6.854 14.771 ( -3.267 3.240 0.000) 4.602 17.041 ( 5.826 0.026 0.000) 5.826 17.334 ( -2.394 1.562 0.000) 2.858 17.377 ( 0.621 -4.748 0.000) 4.788 17.418 ( 0.739 2.457 0.000) 2.565 17.867 ( -0.218 -11.989 0.000) 11.991 17.878 ( 0.253 -12.743 0.000) 12.746 18.019 ( 2.144 -14.451 0.000) 14.610 18.147 ( -1.405 -13.395 0.000) 13.468 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 6.580 10.666 0.000) 12.533 2.565 ( 0.286 10.744 0.000) 10.748 2.582 ( 0.078 8.622 0.000) 8.622 2.586 ( -3.933 4.096 0.000) 5.678 2.718 ( 6.025 -0.450 0.000) 6.042 2.850 ( -5.394 1.279 0.000) 5.543 3.090 ( 1.548 7.628 0.000) 7.784 3.107 ( 1.368 12.568 0.000) 12.642 3.221 ( -0.733 7.891 0.000) 7.925 3.279 ( -5.543 11.837 0.000) 13.071 3.490 ( 5.976 -4.044 0.000) 7.216 3.606 ( -3.423 -8.518 0.000) 9.180 3.824 ( 2.303 -0.879 0.000) 2.465 3.954 ( -7.751 -3.586 0.000) 8.541 4.012 ( 0.920 0.707 0.000) 1.160 4.083 ( -5.455 0.418 0.000) 5.471 4.578 ( 3.768 -4.067 0.000) 5.544 4.604 ( 1.101 -2.966 0.000) 3.163 4.832 ( 10.109 0.978 0.000) 10.156 4.960 ( 2.245 20.545 0.000) 20.667 4.977 ( -3.868 2.685 0.000) 4.709 5.048 ( -5.815 13.171 0.000) 14.398 5.095 ( 3.367 19.726 0.000) 20.011 5.185 ( -4.753 20.872 0.000) 21.406 5.473 ( 1.426 13.323 0.000) 13.399 5.520 ( -2.653 11.282 0.000) 11.590 5.690 ( 1.959 8.821 0.000) 9.036 5.698 ( 1.364 12.297 0.000) 12.372 6.332 ( 5.191 3.296 0.000) 6.149 6.421 ( -3.327 8.437 0.000) 9.070 6.481 ( 1.999 1.108 0.000) 2.286 6.564 ( -4.643 1.341 0.000) 4.833 6.821 ( 6.070 11.204 0.000) 12.743 6.873 ( -1.061 17.457 0.000) 17.490 6.917 ( 0.536 1.275 0.000) 1.383 6.987 ( -3.831 -1.095 0.000) 3.985 7.000 ( 3.219 13.803 0.000) 14.173 7.063 ( -2.432 9.377 0.000) 9.687 7.189 ( 1.267 7.574 0.000) 7.680 7.214 ( -1.549 2.456 0.000) 2.904 8.628 ( 5.859 9.900 0.000) 11.504 8.696 ( -1.357 10.782 0.000) 10.867 8.842 ( 4.665 8.637 0.000) 9.816 8.981 ( -7.049 6.373 0.000) 9.503 9.098 ( 13.061 5.366 0.000) 14.120 9.387 ( -11.833 2.468 0.000) 12.087 9.427 ( 3.442 -0.032 0.000) 3.442 9.512 ( -2.505 -0.238 0.000) 2.516 10.455 ( 6.105 1.073 0.000) 6.198 10.569 ( -2.883 -0.880 0.000) 3.014 10.763 ( 5.968 -0.931 0.000) 6.040 10.772 ( 4.760 -4.446 0.000) 6.514 10.907 ( -1.340 -0.260 0.000) 1.365 10.977 ( -6.938 -1.124 0.000) 7.029 11.421 ( 6.500 8.427 0.000) 10.643 11.469 ( 1.546 2.763 0.000) 3.166 11.565 ( -3.933 -0.333 0.000) 3.947 11.705 ( -12.807 5.354 0.000) 13.881 11.889 ( 11.837 0.211 0.000) 11.839 12.067 ( 2.404 6.672 0.000) 7.092 12.087 ( -4.267 9.493 0.000) 10.408 12.234 ( -11.401 2.770 0.000) 11.732 12.578 ( -1.801 1.808 0.000) 2.552 12.585 ( -1.260 0.400 0.000) 1.322 13.134 ( 2.901 -2.090 0.000) 3.575 13.140 ( 3.351 -2.800 0.000) 4.367 13.422 ( 1.163 -3.165 0.000) 3.372 13.496 ( -5.400 -14.001 0.000) 15.006 13.746 ( 7.885 -1.387 0.000) 8.006 13.894 ( -5.841 7.321 0.000) 9.366 13.967 ( 8.372 0.469 0.000) 8.385 14.129 ( -8.124 3.113 0.000) 8.700 14.247 ( 4.679 -10.107 0.000) 11.137 14.374 ( -6.960 -5.740 0.000) 9.021 14.510 ( 5.780 -2.455 0.000) 6.280 14.652 ( -7.177 0.857 0.000) 7.228 17.176 ( 6.176 0.553 0.000) 6.201 17.276 ( -3.462 0.909 0.000) 3.579 17.394 ( 0.932 -2.997 0.000) 3.138 17.414 ( -0.859 -0.160 0.000) 0.874 17.868 ( 0.406 -12.154 0.000) 12.161 17.878 ( -0.338 -12.398 0.000) 12.403 18.068 ( 2.289 -13.432 0.000) 13.625 18.111 ( -1.902 -13.012 0.000) 13.150 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 0.000 12.130 0.000) 12.130 2.600 ( 0.000 0.492 0.000) 0.492 2.601 ( 0.000 0.463 0.000) 0.463 2.804 ( 0.000 10.074 0.000) 10.074 2.819 ( 0.000 8.498 0.000) 8.498 3.103 ( 0.000 3.414 0.000) 3.414 3.123 ( 0.000 -3.050 0.000) 3.050 3.212 ( 0.000 -10.215 0.000) 10.215 3.236 ( 0.000 8.344 0.000) 8.344 3.415 ( 0.000 9.411 0.000) 9.411 3.479 ( 0.000 9.789 0.000) 9.789 3.669 ( 0.000 -5.285 0.000) 5.285 3.943 ( 0.000 2.899 0.000) 2.899 4.019 ( 0.000 -8.202 0.000) 8.202 4.084 ( 0.000 -1.868 0.000) 1.868 4.129 ( 0.000 -8.914 0.000) 8.914 4.358 ( 0.000 -2.316 0.000) 2.316 4.367 ( 0.000 -1.972 0.000) 1.972 4.561 ( 0.000 -0.334 0.000) 0.334 4.831 ( 0.000 -8.757 0.000) 8.757 5.325 ( 0.000 15.657 0.000) 15.657 5.385 ( 0.000 11.887 0.000) 11.887 5.521 ( 0.000 6.400 0.000) 6.400 5.583 ( 0.000 6.712 0.000) 6.712 5.625 ( 0.000 6.303 0.000) 6.303 5.743 ( 0.000 6.077 0.000) 6.077 5.787 ( 0.000 6.604 0.000) 6.604 5.788 ( 0.000 8.061 0.000) 8.061 6.223 ( 0.000 4.840 0.000) 4.840 6.507 ( 0.000 -1.004 0.000) 1.004 6.687 ( 0.000 7.509 0.000) 7.509 6.733 ( 0.000 4.523 0.000) 4.523 6.748 ( 0.000 4.668 0.000) 4.668 6.838 ( 0.000 0.962 0.000) 0.962 6.977 ( 0.000 -0.016 0.000) 0.016 7.149 ( 0.000 -1.471 0.000) 1.471 7.335 ( 0.000 9.659 0.000) 9.659 7.337 ( 0.000 9.833 0.000) 9.833 7.373 ( 0.000 13.993 0.000) 13.993 7.420 ( 0.000 12.317 0.000) 12.317 8.677 ( 0.000 12.847 0.000) 12.847 8.891 ( 0.000 6.970 0.000) 6.970 8.933 ( 0.000 9.603 0.000) 9.603 8.936 ( 0.000 10.422 0.000) 10.422 9.250 ( 0.000 3.053 0.000) 3.053 9.364 ( 0.000 4.934 0.000) 4.934 9.449 ( 0.000 -3.472 0.000) 3.472 9.620 ( 0.000 -4.748 0.000) 4.748 10.493 ( 0.000 9.603 0.000) 9.603 10.543 ( 0.000 -1.511 0.000) 1.511 10.564 ( 0.000 -0.712 0.000) 0.712 10.568 ( 0.000 -3.271 0.000) 3.271 10.825 ( 0.000 -10.938 0.000) 10.938 11.248 ( 0.000 14.584 0.000) 14.584 11.392 ( 0.000 4.524 0.000) 4.524 11.536 ( 0.000 -12.683 0.000) 12.683 11.656 ( 0.000 9.149 0.000) 9.149 11.831 ( 0.000 -4.527 0.000) 4.527 12.041 ( 0.000 12.752 0.000) 12.752 12.266 ( 0.000 -2.909 0.000) 2.909 12.285 ( 0.000 -3.602 0.000) 3.602 12.337 ( 0.000 7.132 0.000) 7.132 12.557 ( 0.000 -3.885 0.000) 3.885 12.790 ( 0.000 -17.908 0.000) 17.908 12.854 ( 0.000 -4.697 0.000) 4.697 13.058 ( 0.000 5.742 0.000) 5.742 13.224 ( 0.000 -15.429 0.000) 15.429 13.494 ( 0.000 10.748 0.000) 10.748 13.559 ( 0.000 3.234 0.000) 3.234 13.678 ( 0.000 2.338 0.000) 2.338 13.815 ( 0.000 -16.631 0.000) 16.631 14.238 ( 0.000 -8.173 0.000) 8.173 14.262 ( 0.000 10.921 0.000) 10.921 14.443 ( 0.000 1.457 0.000) 1.457 14.678 ( 0.000 2.626 0.000) 2.626 14.831 ( 0.000 -0.403 0.000) 0.403 16.997 ( 0.000 2.600 0.000) 2.600 17.265 ( 0.000 -5.018 0.000) 5.018 17.384 ( 0.000 0.419 0.000) 0.419 17.489 ( 0.000 3.301 0.000) 3.301 17.667 ( 0.000 -6.183 0.000) 6.183 17.672 ( 0.000 -7.290 0.000) 7.290 17.739 ( 0.000 -9.637 0.000) 9.637 17.940 ( 0.000 -8.492 0.000) 8.492 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 4.874 10.873 0.000) 11.915 2.604 ( 1.435 0.978 0.000) 1.737 2.633 ( 1.920 -0.138 0.000) 1.925 2.777 ( -2.225 8.807 0.000) 9.084 2.807 ( -0.936 8.653 0.000) 8.703 3.004 ( -7.011 -0.079 0.000) 7.012 3.159 ( 3.293 -2.214 0.000) 3.968 3.204 ( -0.415 2.215 0.000) 2.253 3.323 ( 5.368 -2.193 0.000) 5.798 3.404 ( -1.354 8.115 0.000) 8.227 3.489 ( 1.217 10.265 0.000) 10.336 3.634 ( -3.226 -2.375 0.000) 4.006 3.850 ( -4.877 3.964 0.000) 6.285 3.971 ( -4.395 -7.663 0.000) 8.834 4.064 ( -2.247 0.021 0.000) 2.247 4.109 ( -1.889 -7.187 0.000) 7.431 4.411 ( 3.916 -3.014 0.000) 4.942 4.515 ( 11.277 -4.429 0.000) 12.115 4.546 ( -1.323 -1.014 0.000) 1.667 4.849 ( 1.497 -8.784 0.000) 8.911 5.326 ( 0.061 14.907 0.000) 14.907 5.394 ( 1.181 12.515 0.000) 12.571 5.455 ( -4.187 9.678 0.000) 10.545 5.605 ( -1.356 12.307 0.000) 12.382 5.665 ( 4.848 -0.437 0.000) 4.868 5.710 ( -1.553 7.794 0.000) 7.947 5.778 ( -1.560 8.316 0.000) 8.461 5.826 ( 1.912 4.158 0.000) 4.576 6.263 ( 4.308 3.892 0.000) 5.806 6.497 ( -0.254 0.020 0.000) 0.254 6.647 ( -3.574 6.773 0.000) 7.658 6.717 ( -3.111 4.373 0.000) 5.367 6.761 ( 2.795 3.865 0.000) 4.769 6.890 ( 3.795 0.072 0.000) 3.796 6.953 ( -1.889 0.050 0.000) 1.889 7.115 ( -3.160 -1.827 0.000) 3.650 7.325 ( -0.448 10.785 0.000) 10.795 7.346 ( -1.831 14.356 0.000) 14.473 7.366 ( 2.016 10.013 0.000) 10.214 7.431 ( 0.554 11.740 0.000) 11.753 8.736 ( 4.931 12.062 0.000) 13.031 8.920 ( -0.706 7.833 0.000) 7.865 8.928 ( 3.294 6.885 0.000) 7.633 9.023 ( 6.870 10.962 0.000) 12.937 9.229 ( -1.643 4.202 0.000) 4.512 9.376 ( 1.553 4.233 0.000) 4.509 9.488 ( 2.850 -1.632 0.000) 3.284 9.604 ( -2.368 -1.159 0.000) 2.637 10.477 ( -1.007 8.772 0.000) 8.830 10.515 ( -0.611 -2.185 0.000) 2.269 10.585 ( 2.269 -5.096 0.000) 5.578 10.635 ( 4.381 -2.510 0.000) 5.049 10.871 ( 3.072 -10.040 0.000) 10.500 11.095 ( -9.982 8.468 0.000) 13.091 11.455 ( -6.206 -14.326 0.000) 15.613 11.506 ( 6.681 9.755 0.000) 11.824 11.672 ( -11.598 -5.439 0.000) 12.810 11.720 ( 5.923 10.765 0.000) 12.287 12.057 ( 0.211 11.958 0.000) 11.960 12.214 ( -3.900 1.087 0.000) 4.049 12.323 ( -1.384 6.974 0.000) 7.110 12.366 ( 4.663 -0.853 0.000) 4.740 12.561 ( -0.089 -3.440 0.000) 3.441 12.676 ( -10.610 -12.070 0.000) 16.070 12.894 ( 4.586 -6.773 0.000) 8.179 12.994 ( -2.701 -0.484 0.000) 2.744 13.220 ( -0.804 -15.728 0.000) 15.749 13.465 ( -6.881 -3.206 0.000) 7.592 13.584 ( 7.709 7.528 0.000) 10.775 13.816 ( 10.473 3.487 0.000) 11.038 13.916 ( 7.858 -9.292 0.000) 12.169 14.207 ( -5.505 9.069 0.000) 10.609 14.292 ( 5.042 -7.020 0.000) 8.643 14.383 ( -5.432 2.453 0.000) 5.960 14.539 ( -10.665 2.675 0.000) 10.995 14.793 ( -4.694 -1.085 0.000) 4.817 17.066 ( 5.897 2.325 0.000) 6.339 17.283 ( 1.667 -4.425 0.000) 4.729 17.354 ( -2.431 0.663 0.000) 2.520 17.471 ( -1.913 1.424 0.000) 2.385 17.671 ( 0.088 -6.840 0.000) 6.840 17.680 ( 0.919 -5.479 0.000) 5.555 17.774 ( 2.949 -9.412 0.000) 9.864 17.929 ( -1.005 -8.260 0.000) 8.321 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 1.397 2.087 0.000) 2.511 2.645 ( 2.318 7.010 0.000) 7.383 2.692 ( 4.350 0.306 0.000) 4.361 2.742 ( -0.327 7.455 0.000) 7.462 2.788 ( -0.793 8.295 0.000) 8.333 2.847 ( -7.171 -0.812 0.000) 7.217 3.205 ( 0.787 2.470 0.000) 2.592 3.219 ( 0.828 -1.232 0.000) 1.485 3.399 ( 2.278 4.345 0.000) 4.906 3.417 ( 2.809 -4.709 0.000) 5.484 3.509 ( 0.318 10.235 0.000) 10.240 3.551 ( -4.272 8.622 0.000) 9.622 3.793 ( 0.029 -0.712 0.000) 0.713 3.859 ( -5.415 -5.240 0.000) 7.535 4.038 ( 0.165 1.683 0.000) 1.691 4.063 ( -2.023 -2.262 0.000) 3.034 4.481 ( 2.451 -4.344 0.000) 4.987 4.517 ( -1.337 -3.203 0.000) 3.471 4.742 ( 9.019 -6.946 0.000) 11.384 4.858 ( -1.889 -8.617 0.000) 8.821 5.332 ( 0.904 14.149 0.000) 14.178 5.375 ( -3.129 12.974 0.000) 13.346 5.448 ( 3.978 13.203 0.000) 13.789 5.542 ( -4.324 13.016 0.000) 13.715 5.695 ( 0.210 8.029 0.000) 8.032 5.720 ( -2.010 6.839 0.000) 7.129 5.776 ( 4.071 1.292 0.000) 4.271 5.837 ( -1.209 1.942 0.000) 2.288 6.398 ( 7.696 3.844 0.000) 8.603 6.524 ( 3.084 1.987 0.000) 3.668 6.546 ( -6.018 5.519 0.000) 8.166 6.620 ( -5.556 3.133 0.000) 6.378 6.840 ( 4.211 1.481 0.000) 4.464 6.911 ( -2.334 -0.023 0.000) 2.334 6.962 ( 2.960 -0.579 0.000) 3.017 7.032 ( -4.078 -1.048 0.000) 4.210 7.316 ( -0.356 12.528 0.000) 12.533 7.317 ( -0.693 14.107 0.000) 14.124 7.409 ( 1.769 10.448 0.000) 10.597 7.433 ( -0.506 10.956 0.000) 10.968 8.840 ( 4.055 9.649 0.000) 10.466 8.897 ( -1.655 8.016 0.000) 8.185 9.015 ( 4.716 6.476 0.000) 8.011 9.102 ( -2.399 4.784 0.000) 5.352 9.281 ( 9.065 10.555 0.000) 13.913 9.438 ( 2.954 3.223 0.000) 4.372 9.494 ( -7.093 6.543 0.000) 9.650 9.516 ( -1.102 1.895 0.000) 2.192 10.492 ( 2.486 2.170 0.000) 3.300 10.522 ( 0.479 -3.371 0.000) 3.405 10.658 ( 3.968 -5.232 0.000) 6.566 10.702 ( 0.806 -4.899 0.000) 4.965 10.886 ( -1.658 -6.257 0.000) 6.473 10.910 ( -5.951 1.969 0.000) 6.269 11.375 ( -0.050 -11.617 0.000) 11.618 11.452 ( -7.343 -6.338 0.000) 9.700 11.655 ( 7.495 10.397 0.000) 12.817 11.808 ( -3.286 8.087 0.000) 8.729 12.036 ( 5.112 10.506 0.000) 11.684 12.218 ( 3.726 7.323 0.000) 8.216 12.251 ( -8.084 7.320 0.000) 10.906 12.325 ( -8.088 5.443 0.000) 9.749 12.528 ( 0.243 -7.580 0.000) 7.584 12.550 ( -0.905 -3.997 0.000) 4.098 12.997 ( 2.476 -7.433 0.000) 7.834 13.013 ( 3.988 -8.609 0.000) 9.487 13.195 ( 0.357 -14.215 0.000) 14.220 13.304 ( -7.888 -9.238 0.000) 12.148 13.789 ( 11.195 5.516 0.000) 12.480 14.029 ( -10.971 6.154 0.000) 12.579 14.039 ( 10.181 4.036 0.000) 10.951 14.105 ( 9.702 -3.146 0.000) 10.199 14.234 ( -8.427 3.770 0.000) 9.232 14.312 ( -10.315 0.972 0.000) 10.361 14.441 ( 8.894 -4.282 0.000) 9.871 14.639 ( -9.260 -2.227 0.000) 9.524 17.200 ( 5.949 1.589 0.000) 6.158 17.295 ( -3.316 0.775 0.000) 3.406 17.332 ( 3.067 -3.019 0.000) 4.303 17.408 ( -3.827 -0.965 0.000) 3.947 17.680 ( 0.687 -5.842 0.000) 5.882 17.691 ( -0.094 -5.156 0.000) 5.157 17.842 ( 3.168 -8.764 0.000) 9.319 17.898 ( -2.065 -8.180 0.000) 8.437 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( 0.000 0.217 0.000) 0.217 2.608 ( 0.000 0.135 0.000) 0.135 2.737 ( 0.000 11.826 0.000) 11.826 2.961 ( 0.000 5.505 0.000) 5.505 2.961 ( 0.000 -3.407 0.000) 3.407 3.011 ( 0.000 -0.872 0.000) 0.872 3.053 ( 0.000 -3.799 0.000) 3.799 3.102 ( 0.000 -3.012 0.000) 3.012 3.401 ( 0.000 7.563 0.000) 7.563 3.546 ( 0.000 -6.577 0.000) 6.577 3.610 ( 0.000 10.093 0.000) 10.093 3.702 ( 0.000 11.119 0.000) 11.119 3.823 ( 0.000 -10.405 0.000) 10.405 3.925 ( 0.000 -10.658 0.000) 10.658 4.001 ( 0.000 2.508 0.000) 2.508 4.045 ( 0.000 -1.960 0.000) 1.960 4.329 ( 0.000 -0.599 0.000) 0.599 4.333 ( 0.000 -1.030 0.000) 1.030 4.579 ( 0.000 2.452 0.000) 2.452 4.670 ( 0.000 -6.426 0.000) 6.426 5.537 ( 0.000 5.090 0.000) 5.090 5.546 ( 0.000 3.815 0.000) 3.815 5.589 ( 0.000 1.137 0.000) 1.137 5.598 ( 0.000 -0.189 0.000) 0.189 5.803 ( 0.000 6.084 0.000) 6.084 5.824 ( 0.000 2.310 0.000) 2.310 5.845 ( 0.000 0.315 0.000) 0.315 5.863 ( 0.000 0.060 0.000) 0.060 6.360 ( 0.000 6.915 0.000) 6.915 6.468 ( 0.000 -3.400 0.000) 3.400 6.812 ( 0.000 3.957 0.000) 3.957 6.813 ( 0.000 2.993 0.000) 2.993 6.828 ( 0.000 2.196 0.000) 2.196 6.848 ( 0.000 -0.404 0.000) 0.404 7.004 ( 0.000 2.560 0.000) 2.560 7.076 ( 0.000 -4.108 0.000) 4.108 7.476 ( 0.000 3.575 0.000) 3.575 7.479 ( 0.000 3.406 0.000) 3.406 7.573 ( 0.000 5.320 0.000) 5.320 7.588 ( 0.000 3.820 0.000) 3.820 8.902 ( 0.000 8.258 0.000) 8.258 8.985 ( 0.000 0.696 0.000) 0.696 9.099 ( 0.000 5.679 0.000) 5.679 9.113 ( 0.000 5.284 0.000) 5.284 9.290 ( 0.000 1.733 0.000) 1.733 9.365 ( 0.000 -4.685 0.000) 4.685 9.467 ( 0.000 4.378 0.000) 4.378 9.538 ( 0.000 -3.193 0.000) 3.193 10.509 ( 0.000 1.162 0.000) 1.162 10.523 ( 0.000 -0.176 0.000) 0.176 10.538 ( 0.000 -1.429 0.000) 1.429 10.615 ( 0.000 -8.653 0.000) 8.653 10.794 ( 0.000 16.579 0.000) 16.579 11.165 ( 0.000 -19.088 0.000) 19.088 11.511 ( 0.000 7.040 0.000) 7.040 11.586 ( 0.000 12.661 0.000) 12.661 11.719 ( 0.000 -0.437 0.000) 0.437 11.919 ( 0.000 12.573 0.000) 12.573 12.055 ( 0.000 -18.736 0.000) 18.736 12.143 ( 0.000 -8.827 0.000) 8.827 12.276 ( 0.000 10.041 0.000) 10.041 12.447 ( 0.000 4.006 0.000) 4.006 12.449 ( 0.000 -6.845 0.000) 6.845 12.531 ( 0.000 -5.937 0.000) 5.937 12.829 ( 0.000 2.518 0.000) 2.518 12.959 ( 0.000 -9.971 0.000) 9.971 13.223 ( 0.000 9.761 0.000) 9.761 13.462 ( 0.000 -13.161 0.000) 13.161 13.614 ( 0.000 1.749 0.000) 1.749 13.628 ( 0.000 0.153 0.000) 0.153 13.841 ( 0.000 10.826 0.000) 10.826 14.055 ( 0.000 -9.749 0.000) 9.749 14.429 ( 0.000 5.115 0.000) 5.115 14.471 ( 0.000 0.484 0.000) 0.484 14.727 ( 0.000 2.480 0.000) 2.480 14.788 ( 0.000 -3.180 0.000) 3.180 17.070 ( 0.000 4.306 0.000) 4.306 17.164 ( 0.000 -4.782 0.000) 4.782 17.404 ( 0.000 1.758 0.000) 1.758 17.462 ( 0.000 -3.738 0.000) 3.738 17.579 ( 0.000 -1.759 0.000) 1.759 17.601 ( 0.000 -3.894 0.000) 3.894 17.679 ( 0.000 4.928 0.000) 4.928 17.795 ( 0.000 -6.157 0.000) 6.157 ======================= Grid point 36 (23/72) ======================= q-point: ( 0.20 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 1.663 0.628 0.000) 1.777 2.629 ( 1.754 -0.283 0.000) 1.776 2.764 ( 1.834 9.893 0.000) 10.061 2.934 ( -2.996 -1.493 0.000) 3.348 2.945 ( -5.111 2.584 0.000) 5.727 2.961 ( 0.027 6.459 0.000) 6.459 3.077 ( 1.910 -5.009 0.000) 5.361 3.093 ( 0.030 -7.859 0.000) 7.859 3.412 ( 1.033 6.738 0.000) 6.817 3.544 ( 0.279 -5.841 0.000) 5.847 3.586 ( -2.264 9.458 0.000) 9.725 3.705 ( -0.443 8.212 0.000) 8.224 3.801 ( -1.163 -6.840 0.000) 6.938 3.933 ( 0.962 -9.545 0.000) 9.594 3.967 ( -2.611 5.886 0.000) 6.439 4.051 ( -0.014 -1.987 0.000) 1.987 4.373 ( 3.466 0.093 0.000) 3.467 4.422 ( 7.511 -4.141 0.000) 8.577 4.566 ( -1.283 3.247 0.000) 3.491 4.677 ( 0.523 -7.346 0.000) 7.365 5.532 ( -0.124 5.548 0.000) 5.549 5.558 ( 1.214 3.270 0.000) 3.488 5.579 ( -0.412 3.499 0.000) 3.523 5.632 ( 2.445 -2.072 0.000) 3.205 5.800 ( -0.470 6.327 0.000) 6.344 5.817 ( -0.464 3.134 0.000) 3.168 5.852 ( 0.195 -0.546 0.000) 0.579 5.863 ( -0.696 0.259 0.000) 0.742 6.375 ( 2.378 5.962 0.000) 6.419 6.471 ( 1.072 -2.971 0.000) 3.158 6.761 ( -4.435 3.670 0.000) 5.757 6.784 ( -4.372 1.394 0.000) 4.589 6.840 ( 2.346 3.329 0.000) 4.073 6.884 ( 2.806 -0.975 0.000) 2.971 6.986 ( -1.494 2.813 0.000) 3.185 7.052 ( -2.193 -3.401 0.000) 4.047 7.484 ( 0.827 4.403 0.000) 4.480 7.502 ( 1.734 2.811 0.000) 3.303 7.555 ( -1.315 5.936 0.000) 6.079 7.585 ( -0.397 3.065 0.000) 3.090 8.937 ( 2.901 7.014 0.000) 7.590 9.010 ( 2.192 0.284 0.000) 2.210 9.061 ( -1.533 6.093 0.000) 6.283 9.149 ( 0.127 -1.099 0.000) 1.107 9.330 ( 5.486 7.345 0.000) 9.167 9.449 ( 6.379 -3.292 0.000) 7.178 9.489 ( 2.357 5.862 0.000) 6.318 9.575 ( 2.727 -2.279 0.000) 3.554 10.499 ( -1.431 1.093 0.000) 1.800 10.528 ( 1.065 0.699 0.000) 1.274 10.559 ( 0.992 -4.157 0.000) 4.274 10.611 ( -1.537 -4.103 0.000) 4.381 10.782 ( 0.874 10.444 0.000) 10.481 11.105 ( -4.135 -17.789 0.000) 18.263 11.294 ( -13.047 10.608 0.000) 16.816 11.508 ( -11.920 -9.677 0.000) 15.353 11.779 ( 7.086 16.487 0.000) 17.946 11.970 ( 4.024 11.818 0.000) 12.484 12.156 ( 6.353 -18.498 0.000) 19.558 12.161 ( 0.880 -5.520 0.000) 5.589 12.293 ( 1.768 9.386 0.000) 9.551 12.438 ( -0.907 4.092 0.000) 4.191 12.460 ( 0.573 -6.550 0.000) 6.575 12.500 ( -3.020 -2.905 0.000) 4.191 12.822 ( 0.318 1.020 0.000) 1.068 12.946 ( -1.089 -10.460 0.000) 10.516 13.088 ( -8.964 7.816 0.000) 11.893 13.289 ( -10.537 -11.059 0.000) 15.275 13.722 ( 7.964 4.923 0.000) 9.363 13.803 ( 9.989 -3.589 0.000) 10.614 13.950 ( 9.794 8.831 0.000) 13.188 14.133 ( 7.232 -8.513 0.000) 11.171 14.345 ( -7.536 4.656 0.000) 8.859 14.403 ( -6.532 -0.920 0.000) 6.596 14.624 ( -8.134 5.352 0.000) 9.737 14.732 ( -5.749 -4.550 0.000) 7.332 17.126 ( 4.732 3.328 0.000) 5.786 17.199 ( 2.963 -3.790 0.000) 4.811 17.376 ( -2.365 1.842 0.000) 2.997 17.434 ( -2.544 -3.560 0.000) 4.376 17.593 ( 1.387 -0.821 0.000) 1.612 17.632 ( 2.747 -4.512 0.000) 5.282 17.684 ( 0.215 4.106 0.000) 4.111 17.789 ( -0.644 -5.837 0.000) 5.873 ======================= Grid point 37 (24/72) ======================= q-point: ( 0.40 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( 3.249 1.034 0.000) 3.409 2.688 ( 4.287 -0.428 0.000) 4.308 2.751 ( -3.462 3.691 0.000) 5.060 2.807 ( -6.698 -1.833 0.000) 6.944 2.920 ( 1.725 8.731 0.000) 8.899 2.955 ( -0.891 7.896 0.000) 7.946 3.110 ( 0.954 -9.066 0.000) 9.116 3.112 ( 0.934 -7.271 0.000) 7.331 3.450 ( 2.695 5.954 0.000) 6.535 3.521 ( -3.700 7.216 0.000) 8.109 3.573 ( 2.656 -4.968 0.000) 5.634 3.650 ( -4.120 -2.646 0.000) 4.896 3.820 ( 2.766 5.951 0.000) 6.562 3.896 ( -3.992 8.539 0.000) 9.426 3.975 ( 2.938 -6.588 0.000) 7.214 4.032 ( -1.987 -3.574 0.000) 4.089 4.455 ( 3.922 2.910 0.000) 4.884 4.525 ( -2.666 4.282 0.000) 5.044 4.581 ( 6.525 -8.057 0.000) 10.368 4.670 ( -1.912 -8.964 0.000) 9.166 5.542 ( 1.092 6.678 0.000) 6.767 5.567 ( -0.955 6.513 0.000) 6.583 5.603 ( 3.045 1.560 0.000) 3.421 5.660 ( -1.049 -1.941 0.000) 2.206 5.794 ( 0.618 4.173 0.000) 4.219 5.807 ( -0.415 3.265 0.000) 3.292 5.832 ( -1.256 1.239 0.000) 1.764 5.841 ( -1.215 -0.465 0.000) 1.301 6.479 ( 7.155 3.793 0.000) 8.098 6.535 ( 4.982 -1.212 0.000) 5.127 6.638 ( -7.196 2.902 0.000) 7.760 6.661 ( -6.585 0.597 0.000) 6.612 6.896 ( 2.774 3.032 0.000) 4.109 6.942 ( 2.560 -1.409 0.000) 2.922 6.948 ( -2.121 2.658 0.000) 3.401 6.996 ( -2.770 -2.001 0.000) 3.418 7.504 ( 1.025 5.597 0.000) 5.690 7.527 ( -1.235 6.286 0.000) 6.406 7.540 ( 1.741 2.229 0.000) 2.828 7.570 ( -1.069 2.250 0.000) 2.491 8.996 ( 2.278 5.490 0.000) 5.944 9.032 ( -1.372 5.539 0.000) 5.706 9.065 ( 2.879 -1.095 0.000) 3.081 9.121 ( -2.262 -2.635 0.000) 3.473 9.486 ( 7.506 8.378 0.000) 11.249 9.552 ( 2.257 6.275 0.000) 6.668 9.570 ( 3.765 0.718 0.000) 3.833 9.606 ( -0.658 2.249 0.000) 2.344 10.478 ( -0.068 0.593 0.000) 0.597 10.504 ( -2.406 0.691 0.000) 2.504 10.566 ( -0.093 -7.023 0.000) 7.023 10.579 ( -1.241 -4.889 0.000) 5.044 10.854 ( 5.702 6.470 0.000) 8.624 11.031 ( -11.176 9.431 0.000) 14.623 11.091 ( 4.195 -14.379 0.000) 14.979 11.257 ( -10.779 -11.450 0.000) 15.725 11.919 ( 6.220 14.945 0.000) 16.187 12.017 ( -1.661 11.203 0.000) 11.325 12.183 ( 2.859 -0.900 0.000) 2.997 12.241 ( 0.253 -14.973 0.000) 14.975 12.347 ( 2.930 6.135 0.000) 6.798 12.401 ( -2.512 5.160 0.000) 5.739 12.437 ( -1.244 1.707 0.000) 2.112 12.452 ( -1.360 -4.068 0.000) 4.290 12.870 ( 3.207 -3.087 0.000) 4.451 12.938 ( -4.818 2.147 0.000) 5.275 12.942 ( 2.583 -9.486 0.000) 9.832 13.081 ( -9.054 -10.705 0.000) 14.021 13.911 ( 10.249 5.481 0.000) 11.623 14.005 ( 9.764 -3.824 0.000) 10.486 14.141 ( -11.174 4.660 0.000) 12.107 14.192 ( 12.103 7.097 0.000) 14.030 14.217 ( -10.263 -2.829 0.000) 10.646 14.333 ( 11.016 -6.280 0.000) 12.680 14.429 ( -10.379 7.126 0.000) 12.590 14.560 ( -10.131 -5.365 0.000) 11.464 17.233 ( 4.772 1.664 0.000) 5.054 17.274 ( 4.124 -2.465 0.000) 4.804 17.316 ( -3.327 1.564 0.000) 3.676 17.363 ( -4.049 -2.876 0.000) 4.966 17.634 ( 2.284 1.007 0.000) 2.496 17.674 ( -1.323 2.641 0.000) 2.954 17.701 ( 3.427 -5.198 0.000) 6.226 17.761 ( -2.155 -5.436 0.000) 5.848 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 0.000 0.000 27.672) 27.672 0.663 ( 0.000 0.000 29.126) 29.126 1.193 ( 0.000 0.000 50.795) 50.795 1.633 ( 0.000 0.000 -12.710) 12.710 1.639 ( 0.000 0.000 26.563) 26.563 1.668 ( 0.000 0.000 -12.470) 12.470 2.114 ( 0.000 0.000 -0.829) 0.829 2.325 ( 0.000 0.000 -5.048) 5.048 2.496 ( 0.000 0.000 5.544) 5.544 2.522 ( 0.000 0.000 9.720) 9.720 2.591 ( 0.000 0.000 -0.142) 0.142 2.800 ( 0.000 0.000 4.094) 4.094 2.822 ( 0.000 0.000 -1.860) 1.860 2.998 ( 0.000 0.000 -22.014) 22.014 3.009 ( 0.000 0.000 -8.410) 8.410 3.020 ( 0.000 0.000 -3.740) 3.740 3.333 ( 0.000 0.000 -15.378) 15.378 3.438 ( 0.000 0.000 -16.686) 16.686 3.518 ( 0.000 0.000 0.143) 0.143 3.529 ( 0.000 0.000 -0.212) 0.212 3.661 ( 0.000 0.000 2.271) 2.271 3.764 ( 0.000 0.000 -1.554) 1.554 3.953 ( 0.000 0.000 5.673) 5.673 4.296 ( 0.000 0.000 -11.091) 11.091 4.413 ( 0.000 0.000 -0.766) 0.766 4.534 ( 0.000 0.000 7.519) 7.519 4.606 ( 0.000 0.000 21.590) 21.590 4.892 ( 0.000 0.000 -2.905) 2.905 4.981 ( 0.000 0.000 -0.211) 0.211 5.212 ( 0.000 0.000 13.470) 13.470 5.548 ( 0.000 0.000 -8.687) 8.687 6.042 ( 0.000 0.000 -15.953) 15.953 6.826 ( 0.000 0.000 2.972) 2.972 6.852 ( 0.000 0.000 1.254) 1.254 7.107 ( 0.000 0.000 3.517) 3.517 7.282 ( 0.000 0.000 -4.628) 4.628 7.365 ( 0.000 0.000 -0.094) 0.094 7.404 ( 0.000 0.000 0.465) 0.465 7.901 ( 0.000 0.000 10.659) 10.659 8.126 ( 0.000 0.000 5.240) 5.240 8.153 ( 0.000 0.000 -1.933) 1.933 8.260 ( 0.000 0.000 4.408) 4.408 8.522 ( 0.000 0.000 -8.944) 8.944 8.587 ( 0.000 0.000 8.533) 8.533 8.594 ( 0.000 0.000 -6.572) 6.572 8.954 ( 0.000 0.000 -1.940) 1.940 9.133 ( 0.000 0.000 5.746) 5.746 9.270 ( 0.000 0.000 -0.118) 0.118 9.290 ( 0.000 0.000 -0.955) 0.955 9.416 ( 0.000 0.000 -7.144) 7.144 9.866 ( 0.000 0.000 2.476) 2.476 9.969 ( 0.000 0.000 -1.332) 1.332 10.216 ( 0.000 0.000 8.454) 8.454 10.597 ( 0.000 0.000 -6.907) 6.907 10.728 ( 0.000 0.000 0.661) 0.661 10.769 ( 0.000 0.000 -0.829) 0.829 11.279 ( 0.000 0.000 -1.039) 1.039 11.388 ( 0.000 0.000 0.368) 0.368 11.409 ( 0.000 0.000 -0.397) 0.397 11.610 ( 0.000 0.000 -7.864) 7.864 11.731 ( 0.000 0.000 14.384) 14.384 12.259 ( 0.000 0.000 -8.685) 8.685 12.314 ( 0.000 0.000 -0.622) 0.622 12.369 ( 0.000 0.000 -3.420) 3.420 13.581 ( 0.000 0.000 11.916) 11.916 13.724 ( 0.000 0.000 3.255) 3.255 13.816 ( 0.000 0.000 -2.317) 2.317 14.181 ( 0.000 0.000 0.667) 0.667 14.213 ( 0.000 0.000 -0.288) 0.288 14.220 ( 0.000 0.000 -10.811) 10.811 14.246 ( 0.000 0.000 0.252) 0.252 14.275 ( 0.000 0.000 -0.609) 0.609 14.720 ( 0.000 0.000 2.493) 2.493 14.790 ( 0.000 0.000 0.774) 0.774 14.906 ( 0.000 0.000 3.975) 3.975 15.120 ( 0.000 0.000 -3.613) 3.613 16.571 ( 0.000 0.000 1.250) 1.250 16.616 ( 0.000 0.000 -0.356) 0.356 17.295 ( 0.000 0.000 1.779) 1.779 17.498 ( 0.000 0.000 -6.030) 6.030 19.043 ( 0.000 0.000 6.992) 6.992 19.359 ( 0.000 0.000 -4.918) 4.918 19.921 ( 0.000 0.000 2.122) 2.122 20.019 ( 0.000 0.000 -1.314) 1.314 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 16.295 0.000 21.498) 26.976 0.939 ( 23.079 0.000 18.658) 29.678 1.431 ( 21.867 0.000 38.609) 44.372 1.704 ( 2.644 0.000 -8.842) 9.229 1.712 ( 6.891 0.000 -12.237) 14.044 1.810 ( 3.468 0.000 17.193) 17.540 2.002 ( -9.309 0.000 -1.510) 9.431 2.222 ( -7.515 0.000 -4.204) 8.611 2.450 ( -7.313 0.000 11.090) 13.284 2.560 ( 4.331 0.000 3.383) 5.495 2.636 ( 2.974 0.000 -0.519) 3.019 2.812 ( 1.052 0.000 3.343) 3.505 2.860 ( 2.115 0.000 -2.685) 3.418 2.980 ( -0.891 0.000 -3.641) 3.749 2.984 ( -3.161 0.000 -2.839) 4.249 3.057 ( 0.584 0.000 -17.434) 17.444 3.151 ( -8.432 0.000 -16.180) 18.245 3.478 ( 3.204 0.000 -16.733) 17.037 3.532 ( 1.339 0.000 0.376) 1.391 3.558 ( 2.501 0.000 -0.569) 2.565 3.650 ( -0.986 0.000 2.136) 2.353 3.746 ( -1.642 0.000 -1.465) 2.201 3.840 ( -3.947 0.000 5.931) 7.124 4.305 ( 0.476 0.000 -0.564) 0.738 4.344 ( -7.359 0.000 -9.256) 11.825 4.597 ( 0.525 0.000 14.382) 14.392 4.850 ( 7.215 0.000 -10.784) 12.975 4.982 ( 6.606 0.000 -2.125) 6.939 5.100 ( 6.611 0.000 1.770) 6.844 5.282 ( 11.510 0.000 -0.205) 11.512 5.461 ( -6.554 0.000 -1.203) 6.664 6.004 ( -4.430 0.000 -15.313) 15.941 6.856 ( 2.608 0.000 3.952) 4.735 6.884 ( 3.389 0.000 2.774) 4.379 7.045 ( 0.058 0.000 5.052) 5.052 7.175 ( -7.110 0.000 4.263) 8.290 7.373 ( -1.259 0.000 -5.385) 5.531 7.419 ( -0.500 0.000 -0.179) 0.531 7.884 ( -1.366 0.000 14.249) 14.315 8.121 ( -0.297 0.000 5.039) 5.048 8.154 ( -0.341 0.000 -0.684) 0.765 8.226 ( -2.879 0.000 4.186) 5.080 8.515 ( -0.438 0.000 -8.037) 8.049 8.569 ( -1.944 0.000 -6.278) 6.572 8.778 ( 10.325 0.000 -0.642) 10.345 8.876 ( -3.102 0.000 -3.263) 4.502 9.114 ( -8.528 0.000 3.247) 9.125 9.221 ( 7.693 0.000 5.098) 9.229 9.375 ( 7.404 0.000 -1.142) 7.492 9.397 ( -4.369 0.000 -7.424) 8.615 9.805 ( -5.634 0.000 2.663) 6.232 9.917 ( -4.923 0.000 -1.449) 5.131 10.472 ( 21.982 0.000 5.476) 22.654 10.728 ( 9.498 0.000 -3.681) 10.186 10.736 ( 0.723 0.000 0.498) 0.878 10.769 ( -0.069 0.000 -0.675) 0.679 11.280 ( -0.583 0.000 -0.646) 0.870 11.392 ( 0.363 0.000 0.291) 0.465 11.409 ( -0.021 0.000 -0.324) 0.324 11.494 ( -4.860 0.000 -2.077) 5.285 11.897 ( 9.130 0.000 8.303) 12.341 12.227 ( -1.982 0.000 -3.191) 3.756 12.370 ( -3.000 0.000 -5.467) 6.236 12.408 ( 5.403 0.000 -6.376) 8.357 13.431 ( -13.759 0.000 10.641) 17.394 13.580 ( -20.449 0.000 7.136) 21.658 13.777 ( -3.719 0.000 -0.220) 3.726 13.856 ( -6.942 0.000 0.697) 6.977 14.185 ( 0.318 0.000 0.638) 0.713 14.211 ( -0.193 0.000 -0.080) 0.209 14.247 ( 0.164 0.000 0.052) 0.172 14.272 ( -0.303 0.000 -0.590) 0.663 14.707 ( -0.821 0.000 1.916) 2.085 14.773 ( -2.965 0.000 0.458) 3.000 14.850 ( 1.966 0.000 4.534) 4.942 15.067 ( -3.848 0.000 -3.000) 4.880 16.739 ( 12.731 0.000 1.660) 12.839 16.974 ( 15.246 0.000 -11.272) 18.961 17.364 ( 5.886 0.000 -3.392) 6.793 17.528 ( 2.209 0.000 -6.122) 6.509 19.068 ( 2.398 0.000 6.000) 6.462 19.364 ( -0.117 0.000 -4.285) 4.287 19.668 ( -18.716 0.000 14.873) 23.906 19.829 ( -8.152 0.000 0.831) 8.194 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 19.368 0.000 12.965) 23.307 1.391 ( 18.842 0.000 21.129) 28.310 1.618 ( -14.206 0.000 7.299) 15.971 1.708 ( -10.978 0.000 20.693) 23.425 1.910 ( 4.304 0.000 -10.502) 11.349 1.912 ( 12.449 0.000 -5.822) 13.743 2.025 ( 30.319 0.000 14.125) 33.448 2.055 ( -8.025 0.000 -6.798) 10.517 2.213 ( -12.901 0.000 4.122) 13.543 2.644 ( 3.206 0.000 1.551) 3.562 2.655 ( -24.781 0.000 -3.798) 25.070 2.676 ( 0.364 0.000 0.021) 0.364 2.843 ( 2.148 0.000 1.466) 2.601 2.907 ( -3.762 0.000 -0.815) 3.850 2.946 ( 2.832 0.000 -1.431) 3.173 3.002 ( -1.380 0.000 4.131) 4.356 3.265 ( 9.082 0.000 -13.314) 16.117 3.432 ( -6.254 0.000 -9.950) 11.752 3.569 ( 2.004 0.000 0.841) 2.173 3.603 ( -0.209 0.000 0.229) 0.310 3.638 ( 1.746 0.000 0.397) 1.790 3.698 ( -2.865 0.000 -1.158) 3.090 3.905 ( 8.316 0.000 -3.679) 9.094 4.123 ( -11.889 0.000 -10.789) 16.055 4.422 ( 11.243 0.000 -2.292) 11.474 4.653 ( -0.949 0.000 -1.875) 2.102 4.775 ( -3.253 0.000 2.590) 4.158 4.943 ( -9.749 0.000 -4.012) 10.542 5.276 ( 7.958 0.000 2.210) 8.260 5.362 ( -1.735 0.000 3.727) 4.110 5.577 ( 13.026 0.000 -10.179) 16.532 5.837 ( -11.140 0.000 -13.383) 17.413 6.942 ( 4.837 0.000 4.314) 6.481 6.993 ( 5.454 0.000 3.584) 6.526 7.034 ( -2.101 0.000 5.007) 5.430 7.105 ( -1.625 0.000 1.411) 2.152 7.313 ( -0.566 0.000 1.648) 1.743 7.379 ( -4.108 0.000 2.069) 4.600 7.909 ( 4.682 0.000 9.134) 10.265 8.059 ( -7.925 0.000 2.610) 8.344 8.124 ( 0.859 0.000 4.544) 4.624 8.162 ( -2.719 0.000 4.129) 4.944 8.513 ( 0.356 0.000 -6.775) 6.784 8.532 ( -1.413 0.000 -6.204) 6.363 8.851 ( 3.704 0.000 -2.185) 4.300 8.943 ( -2.905 0.000 -3.172) 4.301 9.047 ( 7.045 0.000 0.415) 7.057 9.240 ( -9.490 0.000 -5.000) 10.727 9.418 ( 10.285 0.000 4.230) 11.121 9.551 ( 6.590 0.000 -0.135) 6.591 9.655 ( -6.148 0.000 1.967) 6.455 9.774 ( -8.410 0.000 -1.662) 8.573 10.753 ( 0.755 0.000 0.121) 0.764 10.765 ( -0.375 0.000 -0.309) 0.486 10.933 ( 8.977 0.000 -0.378) 8.985 10.951 ( 15.579 0.000 -2.389) 15.761 11.260 ( 3.406 0.000 3.524) 4.901 11.400 ( 0.405 0.000 0.097) 0.416 11.407 ( -0.197 0.000 -0.135) 0.239 11.440 ( -3.739 0.000 -3.511) 5.129 11.957 ( -1.629 0.000 6.012) 6.228 12.095 ( -15.696 0.000 5.118) 16.509 12.334 ( 11.674 0.000 -0.424) 11.682 12.519 ( -0.713 0.000 -4.145) 4.206 13.145 ( -8.755 0.000 4.971) 10.068 13.197 ( -11.128 0.000 3.423) 11.643 13.776 ( 1.652 0.000 -2.442) 2.948 13.811 ( -1.402 0.000 -2.545) 2.906 14.194 ( 0.504 0.000 0.535) 0.736 14.204 ( -0.451 0.000 0.300) 0.542 14.253 ( 0.409 0.000 -0.304) 0.509 14.263 ( -0.471 0.000 -0.510) 0.694 14.701 ( 0.232 0.000 1.122) 1.146 14.719 ( -1.709 0.000 0.918) 1.940 14.918 ( 3.617 0.000 1.257) 3.829 14.991 ( -3.392 0.000 -1.051) 3.551 16.995 ( 9.944 0.000 1.905) 10.125 17.109 ( -0.346 0.000 -1.132) 1.184 17.483 ( 4.633 0.000 -6.611) 8.073 17.546 ( -1.145 0.000 -6.004) 6.112 19.145 ( 5.053 0.000 5.258) 7.292 19.280 ( -7.459 0.000 5.340) 9.174 19.510 ( 2.453 0.000 1.961) 3.141 19.639 ( -8.713 0.000 -0.816) 8.751 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 0.000 17.112 20.040) 26.352 0.992 ( 0.000 21.293 22.823) 31.214 1.600 ( 0.000 29.382 15.230) 33.094 1.635 ( 0.000 4.464 15.400) 16.034 1.720 ( 0.000 15.505 5.686) 16.515 1.977 ( 0.000 22.940 -5.388) 23.564 2.300 ( 0.000 16.016 -0.541) 16.025 2.468 ( 0.000 5.292 2.982) 6.074 2.579 ( 0.000 12.249 -0.633) 12.265 2.633 ( 0.000 9.817 4.694) 10.881 2.765 ( 0.000 14.748 -1.176) 14.795 2.862 ( 0.000 6.168 -0.324) 6.176 2.877 ( 0.000 -1.576 -11.067) 11.178 2.968 ( 0.000 14.726 3.079) 15.044 3.097 ( 0.000 9.367 -4.453) 10.371 3.290 ( 0.000 16.684 -10.010) 19.456 3.349 ( 0.000 3.554 -14.584) 15.011 3.389 ( 0.000 2.002 -12.505) 12.664 3.783 ( 0.000 15.002 1.086) 15.041 3.785 ( 0.000 22.357 -0.562) 22.364 3.866 ( 0.000 15.375 1.164) 15.419 4.002 ( 0.000 20.812 -1.925) 20.901 4.027 ( 0.000 14.617 2.871) 14.896 4.331 ( 0.000 4.679 -11.799) 12.693 4.415 ( 0.000 0.484 -0.824) 0.956 4.552 ( 0.000 2.449 7.467) 7.858 4.586 ( 0.000 -1.027 20.784) 20.809 4.869 ( 0.000 -2.121 -2.357) 3.170 4.965 ( 0.000 -1.318 -0.278) 1.347 5.238 ( 0.000 2.553 12.258) 12.521 5.510 ( 0.000 -3.453 -8.157) 8.857 5.979 ( 0.000 -4.659 -13.328) 14.119 6.814 ( 0.000 -6.388 7.359) 9.745 6.849 ( 0.000 -4.523 7.419) 8.689 6.857 ( 0.000 0.402 1.130) 1.199 7.177 ( 0.000 -8.653 -4.351) 9.685 7.304 ( 0.000 -5.449 0.405) 5.464 7.320 ( 0.000 -5.992 1.607) 6.203 7.742 ( 0.000 -10.678 5.791) 12.148 7.967 ( 0.000 -12.490 -4.271) 13.200 8.439 ( 0.000 2.380 2.827) 3.696 8.551 ( 0.000 17.232 -10.033) 19.941 8.598 ( 0.000 7.319 3.497) 8.111 8.649 ( 0.000 13.878 1.751) 13.988 8.767 ( 0.000 7.542 -6.873) 10.204 8.930 ( 0.000 1.611 0.387) 1.657 9.237 ( 0.000 -1.415 -1.424) 2.008 9.347 ( 0.000 -4.108 -7.388) 8.453 9.398 ( 0.000 21.704 4.460) 22.158 9.540 ( 0.000 20.839 -0.855) 20.857 10.014 ( 0.000 13.436 1.934) 13.574 10.089 ( 0.000 10.330 -0.575) 10.346 10.163 ( 0.000 -2.143 10.052) 10.277 10.622 ( 0.000 1.708 -6.418) 6.641 10.794 ( 0.000 5.052 -0.214) 5.056 10.844 ( 0.000 6.338 -1.900) 6.617 11.268 ( 0.000 -7.466 1.787) 7.677 11.275 ( 0.000 -1.197 0.114) 1.202 11.447 ( 0.000 5.048 -1.221) 5.194 11.616 ( 0.000 -0.073 -6.303) 6.303 11.753 ( 0.000 1.846 11.992) 12.133 12.264 ( 0.000 -1.817 -9.123) 9.302 12.405 ( 0.000 7.882 0.722) 7.915 12.667 ( 0.000 17.103 -17.484) 24.458 13.545 ( 0.000 -11.565 8.188) 14.170 13.616 ( 0.000 -5.056 6.247) 8.037 13.711 ( 0.000 -14.369 -3.505) 14.791 13.900 ( 0.000 -13.443 1.439) 13.519 14.042 ( 0.000 -3.000 5.913) 6.631 14.171 ( 0.000 -3.149 2.749) 4.180 14.188 ( 0.000 -3.560 -4.784) 5.964 14.360 ( 0.000 4.738 -5.668) 7.388 14.759 ( 0.000 2.224 2.343) 3.230 14.802 ( 0.000 -1.194 3.018) 3.245 14.870 ( 0.000 -4.107 1.586) 4.403 15.053 ( 0.000 -6.531 -3.486) 7.403 16.750 ( 0.000 10.774 1.073) 10.827 16.952 ( 0.000 17.816 -12.527) 21.779 17.357 ( 0.000 6.275 -5.090) 8.080 17.473 ( 0.000 -2.143 -5.046) 5.482 18.970 ( 0.000 -6.969 6.437) 9.487 19.261 ( 0.000 -9.569 -4.175) 10.440 19.620 ( 0.000 -26.167 16.424) 30.894 19.774 ( 0.000 -13.782 1.032) 13.820 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 17.703 12.867 15.390) 26.754 1.139 ( 12.693 16.527 20.401) 29.163 1.708 ( 7.843 9.819 -5.976) 13.915 1.742 ( 5.631 7.076 15.249) 17.729 1.875 ( 13.328 24.947 14.822) 31.932 2.007 ( 1.407 21.025 -2.608) 21.233 2.196 ( -8.278 16.061 -0.830) 18.088 2.383 ( -6.986 8.895 1.044) 11.359 2.520 ( -5.384 11.255 4.425) 13.238 2.699 ( 4.912 9.784 1.930) 11.117 2.772 ( 0.576 10.074 -2.717) 10.450 2.904 ( 2.989 7.977 -3.107) 9.067 2.912 ( 0.222 0.675 -2.449) 2.550 2.980 ( 0.746 14.254 1.658) 14.370 3.052 ( -2.217 6.710 -1.572) 7.239 3.170 ( -9.579 5.000 -12.221) 16.313 3.294 ( 0.599 17.359 -9.230) 19.669 3.502 ( 5.202 3.785 -15.236) 16.538 3.763 ( -1.225 10.408 2.213) 10.711 3.812 ( 1.288 22.694 -1.907) 22.810 3.858 ( 0.773 17.900 0.938) 17.941 3.921 ( -3.880 15.682 2.578) 16.359 3.991 ( -1.386 22.156 -1.546) 22.253 4.323 ( -4.245 0.388 -13.692) 14.340 4.339 ( -3.092 3.995 5.527) 7.488 4.578 ( 0.978 -0.632 14.287) 14.335 4.800 ( 8.462 -3.202 -7.648) 11.847 4.962 ( 6.924 -1.720 -1.851) 7.371 5.064 ( 8.233 -2.759 2.302) 8.983 5.253 ( 3.675 -0.321 6.022) 7.062 5.433 ( -5.695 -2.293 -0.849) 6.198 5.919 ( -6.052 -6.773 -12.490) 15.444 6.831 ( 2.269 -4.014 6.005) 7.571 6.862 ( 3.472 -1.071 3.340) 4.936 6.931 ( 3.604 -4.525 2.562) 6.327 7.082 ( -4.896 -7.063 2.645) 8.992 7.321 ( 0.959 -4.355 -2.593) 5.159 7.336 ( -1.437 -5.712 -1.895) 6.188 7.728 ( 0.384 -10.238 9.726) 14.127 7.998 ( 1.028 -11.492 -3.397) 12.027 8.449 ( 0.758 12.332 0.094) 12.356 8.536 ( -1.333 20.519 -2.838) 20.757 8.630 ( -1.262 11.242 0.446) 11.321 8.657 ( 2.965 3.853 -2.277) 5.369 8.828 ( 5.177 6.974 -4.149) 9.626 8.852 ( -5.551 0.800 -2.523) 6.150 9.066 ( -8.912 -4.078 2.813) 10.197 9.363 ( -2.457 -1.150 -7.524) 7.998 9.442 ( 4.384 19.549 4.622) 20.560 9.588 ( 4.544 18.710 -0.946) 19.277 9.949 ( -5.581 12.618 2.393) 14.003 10.029 ( -5.490 10.378 -0.479) 11.750 10.384 ( 17.638 -4.632 7.325) 19.652 10.716 ( 7.491 0.158 -4.537) 8.759 10.812 ( 1.052 3.919 -0.267) 4.067 10.861 ( 2.817 8.121 -1.509) 8.727 11.253 ( -1.351 -4.790 1.336) 5.153 11.276 ( 0.653 -3.680 0.470) 3.767 11.420 ( -2.602 2.697 1.509) 4.039 11.553 ( -0.549 3.169 -2.400) 4.013 11.916 ( 9.691 1.007 7.976) 12.591 12.293 ( -0.591 2.668 -5.925) 6.525 12.411 ( 3.854 1.875 -2.407) 4.916 12.559 ( -12.356 12.041 -12.479) 21.293 13.417 ( -12.097 -4.397 7.873) 15.088 13.454 ( -14.579 -8.441 8.406) 18.827 13.674 ( -1.550 -10.949 -2.919) 11.437 13.839 ( -5.622 -3.735 -0.482) 6.767 14.048 ( -1.185 -7.954 1.128) 8.120 14.083 ( 1.067 -6.035 1.273) 6.259 14.212 ( -2.969 -2.311 -0.710) 3.828 14.282 ( -1.004 3.894 -1.102) 4.170 14.708 ( -1.149 -1.117 1.841) 2.441 14.801 ( -1.475 -0.623 -1.175) 1.986 14.892 ( 2.614 1.051 4.005) 4.897 15.069 ( -0.175 -1.529 -2.784) 3.180 16.850 ( 8.966 8.733 1.882) 12.657 17.074 ( 6.496 6.375 -7.447) 11.760 17.410 ( 4.032 3.487 -6.405) 8.333 17.516 ( 2.984 -0.749 -5.933) 6.684 18.991 ( 2.004 -7.351 5.619) 9.467 19.256 ( -1.216 -10.473 -2.345) 10.801 19.470 ( -8.992 -15.657 14.241) 22.996 19.692 ( -7.130 -12.848 0.056) 14.694 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 15.524 12.393 14.141) 24.384 1.482 ( 18.896 8.965 14.609) 25.512 1.684 ( -7.826 4.859 10.668) 14.095 1.868 ( -13.898 13.852 10.765) 22.381 1.962 ( 11.650 5.212 -4.650) 13.584 2.138 ( 5.869 18.259 -8.724) 21.070 2.205 ( -8.487 9.002 -1.765) 12.497 2.244 ( 14.149 21.266 7.091) 26.509 2.351 ( -5.377 17.479 0.037) 18.287 2.694 ( -16.211 7.017 -2.725) 17.873 2.800 ( 1.720 8.979 -0.784) 9.176 2.804 ( 0.341 13.363 0.810) 13.392 2.968 ( 2.968 7.662 1.795) 8.411 3.006 ( 1.742 10.482 1.492) 10.730 3.022 ( -2.108 5.502 4.459) 7.388 3.054 ( -2.674 9.630 -0.562) 10.010 3.363 ( 5.916 11.029 -9.117) 15.484 3.490 ( -5.100 6.722 -8.330) 11.857 3.804 ( 3.612 10.871 -1.757) 11.589 3.832 ( 0.405 20.845 -2.226) 20.968 3.880 ( 1.235 22.585 0.972) 22.639 3.926 ( -0.114 16.706 -0.924) 16.732 3.965 ( 2.848 16.793 -2.466) 17.211 4.129 ( -10.283 3.013 -8.931) 13.949 4.428 ( 9.993 1.523 -2.163) 10.337 4.635 ( -0.987 -0.728 -2.409) 2.703 4.766 ( -1.922 -0.636 2.617) 3.309 4.932 ( -9.606 -0.729 -2.909) 10.063 5.262 ( 7.942 -1.293 1.776) 8.240 5.343 ( -0.708 -1.836 2.115) 2.889 5.463 ( 11.713 -7.914 -2.615) 14.376 5.726 ( -11.871 -8.951 -9.321) 17.548 6.908 ( 3.563 -2.759 3.601) 5.769 6.949 ( 1.311 -4.707 4.326) 6.526 6.963 ( 3.023 -4.655 3.042) 6.330 7.041 ( -1.379 -5.545 0.911) 5.786 7.279 ( -0.783 -2.267 0.689) 2.495 7.315 ( -2.468 -4.232 1.167) 5.037 7.796 ( 6.161 -7.734 5.819) 11.473 7.944 ( -6.207 -8.446 -0.596) 10.498 8.470 ( 1.276 20.984 0.227) 21.024 8.504 ( -1.749 25.288 0.395) 25.352 8.605 ( -0.596 7.912 -1.659) 8.106 8.630 ( -3.594 5.988 -2.235) 7.333 8.810 ( 4.114 -2.074 -1.768) 4.935 8.914 ( -4.511 -0.589 -0.729) 4.607 9.027 ( 8.745 -1.006 -2.228) 9.080 9.226 ( -9.167 -0.686 -6.042) 11.001 9.588 ( 8.707 15.760 4.364) 18.527 9.708 ( 4.758 14.375 -0.116) 15.143 9.802 ( -6.391 12.945 2.343) 14.626 9.888 ( -7.434 10.485 -0.436) 12.860 10.695 ( 8.548 -3.980 1.257) 9.512 10.787 ( -1.687 1.873 -1.640) 3.007 10.908 ( 7.324 -2.612 -1.710) 7.962 10.955 ( 3.093 0.902 -2.857) 4.306 11.245 ( 1.471 -3.242 5.430) 6.493 11.297 ( -1.619 2.508 5.786) 6.511 11.437 ( 10.047 3.026 -1.433) 10.590 11.597 ( 1.522 6.167 -4.909) 8.028 11.989 ( -2.650 2.113 6.403) 7.245 12.148 ( -20.596 4.051 2.058) 21.091 12.364 ( 10.013 2.527 -1.684) 10.464 12.516 ( 0.264 -0.419 -4.516) 4.544 13.148 ( -8.624 0.077 4.593) 9.771 13.181 ( -9.304 -1.462 3.520) 10.054 13.671 ( 1.296 -10.195 -4.149) 11.083 13.727 ( -4.154 -7.631 -4.552) 9.809 14.058 ( 2.111 -11.374 2.945) 11.938 14.110 ( -2.138 -6.051 3.893) 7.506 14.193 ( 3.368 -2.825 -1.849) 4.769 14.261 ( -2.225 2.476 -2.109) 3.941 14.719 ( 1.727 0.397 1.365) 2.237 14.762 ( -2.102 1.399 0.273) 2.540 14.963 ( 3.708 1.784 1.054) 4.248 15.034 ( -2.849 1.404 -1.297) 3.430 17.046 ( 8.003 4.327 1.803) 9.275 17.140 ( -0.582 2.591 -0.626) 2.728 17.493 ( 3.551 0.604 -5.584) 6.644 17.544 ( -0.786 -0.128 -5.426) 5.484 19.056 ( 4.303 -8.391 4.833) 10.597 19.168 ( -6.058 -10.316 5.147) 13.023 19.409 ( 2.648 -9.601 1.305) 10.045 19.524 ( -7.683 -10.860 -0.999) 13.340 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 0.000 20.264 12.392) 23.753 1.427 ( 0.000 20.889 14.062) 25.181 1.830 ( 0.000 14.354 10.113) 17.558 1.863 ( 0.000 11.971 -7.564) 14.160 2.414 ( 0.000 14.757 -11.346) 18.615 2.530 ( 0.000 3.958 6.741) 7.817 2.545 ( 0.000 43.131 16.772) 46.277 2.691 ( 0.000 18.973 1.077) 19.003 2.750 ( 0.000 3.755 -13.539) 14.050 2.750 ( 0.000 5.419 1.698) 5.679 3.019 ( 0.000 7.939 -7.078) 10.636 3.152 ( 0.000 19.134 0.893) 19.154 3.166 ( 0.000 24.449 0.724) 24.460 3.321 ( 0.000 14.435 -1.850) 14.553 3.380 ( 0.000 22.017 -0.545) 22.024 3.519 ( 0.000 15.497 -8.717) 17.781 3.580 ( 0.000 19.411 -0.055) 19.411 3.752 ( 0.000 21.041 -5.213) 21.677 3.872 ( 0.000 6.639 5.928) 8.901 4.278 ( 0.000 17.803 -2.508) 17.978 4.322 ( 0.000 7.560 -13.105) 15.130 4.327 ( 0.000 13.156 2.004) 13.308 4.429 ( 0.000 14.868 8.316) 17.036 4.474 ( 0.000 9.306 0.958) 9.356 4.665 ( 0.000 16.455 9.372) 18.937 4.719 ( 0.000 33.173 -4.937) 33.538 4.729 ( 0.000 11.980 -3.599) 12.509 4.853 ( 0.000 10.443 5.456) 11.782 4.977 ( 0.000 5.962 0.558) 5.989 5.300 ( 0.000 1.820 2.638) 3.205 5.445 ( 0.000 -0.293 -0.742) 0.798 5.882 ( 0.000 -4.393 -9.457) 10.427 6.657 ( 0.000 -6.610 7.381) 9.908 6.861 ( 0.000 1.685 2.341) 2.884 6.864 ( 0.000 -0.026 0.863) 0.863 6.981 ( 0.000 -9.781 -3.165) 10.280 7.163 ( 0.000 -7.897 0.790) 7.937 7.182 ( 0.000 -6.890 1.129) 6.982 7.540 ( 0.000 -8.626 1.476) 8.751 7.699 ( 0.000 -13.288 -4.160) 13.924 8.353 ( 0.000 -5.971 6.511) 8.834 8.681 ( 0.000 0.582 -0.225) 0.624 8.707 ( 0.000 -7.134 -6.227) 9.469 8.783 ( 0.000 7.162 -5.697) 9.151 9.017 ( 0.000 -1.923 2.173) 2.901 9.098 ( 0.000 22.586 3.977) 22.934 9.199 ( 0.000 -1.527 -4.791) 5.029 9.378 ( 0.000 10.528 -6.104) 12.170 9.933 ( 0.000 27.469 3.923) 27.748 10.063 ( 0.000 26.744 -1.421) 26.782 10.189 ( 0.000 6.359 12.053) 13.628 10.337 ( 0.000 16.523 0.701) 16.538 10.346 ( 0.000 11.515 0.422) 11.523 10.677 ( 0.000 4.299 -3.250) 5.389 10.905 ( 0.000 5.995 -0.811) 6.049 10.983 ( 0.000 6.867 -5.096) 8.552 11.169 ( 0.000 -1.240 2.343) 2.651 11.236 ( 0.000 -1.938 0.003) 1.938 11.607 ( 0.000 -0.294 -0.544) 0.618 11.624 ( 0.000 11.605 -0.581) 11.619 11.803 ( 0.000 3.481 6.654) 7.510 12.205 ( 0.000 -3.467 -7.181) 7.975 12.578 ( 0.000 7.873 1.824) 8.081 12.868 ( 0.000 3.519 -12.620) 13.102 13.208 ( 0.000 -14.242 0.223) 14.244 13.328 ( 0.000 -16.053 -5.709) 17.038 13.583 ( 0.000 -2.118 10.902) 11.106 13.732 ( 0.000 -6.090 8.765) 10.673 14.076 ( 0.000 -5.042 2.550) 5.650 14.126 ( 0.000 -3.228 -8.650) 9.233 14.145 ( 0.000 8.375 1.084) 8.445 14.435 ( 0.000 2.439 -3.969) 4.658 14.685 ( 0.000 -10.087 1.971) 10.278 14.755 ( 0.000 -6.369 2.288) 6.768 14.780 ( 0.000 -0.852 0.482) 0.979 14.868 ( 0.000 -10.839 -3.650) 11.437 16.953 ( 0.000 7.355 2.105) 7.650 17.136 ( 0.000 3.715 -4.218) 5.621 17.426 ( 0.000 -2.057 -2.352) 3.125 17.484 ( 0.000 4.082 -9.749) 10.569 18.768 ( 0.000 -12.373 5.017) 13.352 18.977 ( 0.000 -17.378 0.382) 17.382 19.150 ( 0.000 -20.274 10.636) 22.894 19.399 ( 0.000 -21.701 -0.704) 21.713 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 12.227 18.201 9.741) 23.993 1.509 ( 7.709 18.540 13.819) 24.375 1.842 ( 1.894 10.202 1.444) 10.476 1.966 ( 6.448 13.272 -0.451) 14.763 2.432 ( 0.956 15.087 -11.780) 19.165 2.469 ( -9.791 9.027 5.599) 14.447 2.531 ( -6.156 8.539 -0.980) 10.572 2.659 ( 7.949 38.828 11.829) 41.361 2.779 ( 2.964 7.035 1.496) 7.779 2.811 ( 1.440 6.849 -6.484) 9.541 2.996 ( 1.232 12.675 -3.188) 13.128 3.149 ( -0.810 21.868 1.301) 21.922 3.204 ( -0.108 15.653 -2.769) 15.896 3.269 ( -4.117 16.606 1.115) 17.145 3.360 ( -1.003 20.711 0.236) 20.737 3.429 ( -3.496 19.722 -2.317) 20.163 3.672 ( 4.897 14.571 -4.765) 16.093 3.731 ( -1.658 21.318 -4.507) 21.852 3.863 ( -0.908 7.539 4.568) 8.862 4.145 ( -6.609 5.998 -1.835) 9.111 4.289 ( -2.398 10.761 -6.998) 13.058 4.362 ( 1.998 13.433 -5.545) 14.669 4.408 ( 3.692 20.762 4.323) 21.526 4.585 ( -3.056 25.786 -2.611) 26.098 4.644 ( 0.143 24.433 4.931) 24.926 4.727 ( 3.226 18.622 3.280) 19.182 4.815 ( 4.965 12.820 -0.821) 13.773 4.951 ( 6.697 5.291 -2.544) 8.906 5.036 ( 6.124 2.230 2.546) 6.997 5.260 ( -3.418 -0.792 -0.481) 3.542 5.412 ( -2.150 2.632 4.341) 5.513 5.775 ( -9.331 -6.437 -7.354) 13.512 6.717 ( 5.175 -6.148 5.206) 9.575 6.851 ( 0.031 -1.501 1.317) 1.997 6.871 ( -1.131 -2.332 0.743) 2.696 6.929 ( -1.819 -6.777 0.665) 7.049 7.199 ( 2.457 -6.281 0.060) 6.745 7.236 ( 2.357 -4.700 -3.637) 6.393 7.519 ( 0.697 -9.710 5.872) 11.369 7.744 ( 2.331 -12.885 -4.071) 13.712 8.458 ( 7.694 -5.095 4.482) 10.259 8.599 ( -1.193 -4.205 1.706) 4.692 8.787 ( -1.079 3.461 -6.763) 7.673 8.827 ( 5.570 -1.948 -6.243) 8.590 8.983 ( -3.617 -0.954 2.386) 4.437 9.064 ( -4.025 16.644 -0.010) 17.123 9.098 ( -1.995 15.101 1.390) 15.295 9.392 ( -2.372 5.833 -7.568) 9.845 9.948 ( 1.657 26.467 3.529) 26.753 10.058 ( 0.201 24.662 -0.961) 24.682 10.200 ( -1.560 8.939 5.262) 10.490 10.269 ( -5.472 10.907 0.861) 12.233 10.444 ( 10.467 13.319 4.927) 17.642 10.771 ( 6.902 6.282 -4.236) 10.249 10.883 ( -1.183 3.088 0.310) 3.322 11.014 ( 0.877 4.828 -0.222) 4.912 11.186 ( 2.619 1.125 -1.382) 3.168 11.242 ( 2.495 -0.478 -0.376) 2.569 11.507 ( -4.899 4.833 4.421) 8.179 11.656 ( 1.093 7.615 -2.336) 8.039 11.935 ( 9.440 1.668 5.906) 11.259 12.264 ( 4.272 -4.113 -6.861) 9.068 12.508 ( -5.220 5.796 1.139) 7.882 12.714 ( -14.886 2.997 -10.100) 18.237 13.185 ( -2.474 -10.894 0.936) 11.211 13.313 ( -2.848 -11.031 -2.522) 11.668 13.473 ( -6.983 -3.683 6.440) 10.188 13.746 ( -0.328 -4.207 6.520) 7.766 13.880 ( -10.147 -6.627 -0.472) 12.128 14.128 ( -0.261 2.487 -4.624) 5.257 14.195 ( -5.209 3.327 0.853) 6.239 14.365 ( -0.395 3.491 -1.513) 3.825 14.626 ( -1.474 -7.272 0.605) 7.444 14.700 ( 0.151 -8.961 -0.643) 8.985 14.859 ( 3.968 -3.900 2.096) 5.945 14.970 ( 3.437 -7.871 -2.121) 8.847 17.015 ( 5.379 6.084 1.800) 8.318 17.165 ( 2.149 2.664 -3.100) 4.618 17.437 ( 1.757 -0.784 -2.546) 3.191 17.527 ( 2.356 1.240 -6.912) 7.408 18.780 ( 1.154 -12.832 4.492) 13.645 18.957 ( -2.180 -17.518 2.477) 17.826 19.127 ( -1.139 -17.552 6.095) 18.615 19.340 ( -5.099 -20.505 -1.069) 21.156 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 12.284 14.671 10.517) 21.835 1.716 ( 17.055 12.991 8.095) 22.916 1.840 ( -3.424 10.635 6.737) 13.046 2.110 ( 2.497 11.256 1.434) 11.618 2.144 ( -12.824 10.190 -0.328) 16.383 2.330 ( -10.047 6.591 -1.481) 12.107 2.549 ( 5.717 15.350 -11.707) 20.134 2.686 ( -6.567 14.328 -10.135) 18.738 2.845 ( 9.037 18.295 3.515) 20.706 2.955 ( 4.699 19.266 5.034) 20.460 3.039 ( 0.198 19.024 3.493) 19.343 3.083 ( -6.702 9.151 5.570) 12.636 3.142 ( 1.618 19.891 1.312) 20.000 3.218 ( -3.347 19.091 -2.236) 19.511 3.358 ( 2.271 19.172 0.394) 19.310 3.402 ( -1.220 20.229 2.051) 20.369 3.703 ( -0.217 19.607 -2.746) 19.799 3.720 ( -0.857 14.286 -1.874) 14.434 3.889 ( 4.532 5.581 -1.308) 7.308 4.020 ( -6.790 2.755 -5.128) 8.943 4.303 ( 4.878 9.206 -6.258) 12.153 4.393 ( -1.321 13.358 -5.851) 14.643 4.497 ( 4.663 30.343 -0.747) 30.709 4.561 ( -0.989 32.131 -2.418) 32.237 4.644 ( 2.888 24.873 4.569) 25.454 4.772 ( 1.772 20.014 1.064) 20.121 4.794 ( -4.492 8.718 0.131) 9.808 4.942 ( -8.707 3.692 -1.326) 9.550 5.229 ( 10.003 -1.689 0.880) 10.182 5.288 ( 6.224 -1.537 -0.902) 6.474 5.379 ( -0.704 1.072 3.425) 3.657 5.544 ( -11.741 -7.557 -3.458) 14.384 6.831 ( 3.073 -5.024 2.421) 6.368 6.841 ( 2.126 -6.921 2.381) 7.622 6.860 ( -0.798 -3.576 1.947) 4.149 6.907 ( -1.592 -6.941 0.521) 7.140 7.232 ( 0.949 -2.565 -0.238) 2.745 7.249 ( -0.545 -1.777 -0.992) 2.107 7.611 ( 6.848 -10.424 3.006) 12.830 7.736 ( -3.695 -11.735 -2.234) 12.505 8.538 ( 2.486 -3.505 1.217) 4.466 8.634 ( -5.349 -3.902 2.240) 6.989 8.752 ( 6.737 -2.773 0.419) 7.298 8.867 ( -1.911 2.861 -0.584) 3.490 9.029 ( -0.051 18.091 -2.555) 18.270 9.036 ( 3.130 9.699 -3.592) 10.806 9.064 ( 3.101 10.280 -1.300) 10.816 9.255 ( -9.535 4.046 -6.399) 12.175 10.012 ( 4.444 23.365 2.938) 23.965 10.077 ( 1.499 19.652 0.060) 19.710 10.125 ( -4.520 17.351 3.191) 18.211 10.157 ( -4.778 14.559 1.551) 15.401 10.677 ( 9.353 4.232 2.241) 10.507 10.819 ( -4.812 1.049 0.828) 4.995 10.898 ( 5.363 3.452 -4.274) 7.677 11.007 ( -3.718 4.503 -3.969) 7.060 11.253 ( 7.181 2.907 6.316) 9.995 11.389 ( -3.795 5.662 8.008) 10.516 11.507 ( 16.373 3.564 -3.044) 17.031 11.704 ( 2.035 4.795 -3.695) 6.386 12.033 ( -1.952 2.588 4.688) 5.700 12.192 ( -18.366 -0.812 -0.929) 18.408 12.418 ( 3.417 2.486 -2.658) 4.992 12.498 ( -0.697 -1.119 -4.013) 4.224 13.116 ( -2.560 -2.942 2.633) 4.706 13.168 ( -7.646 0.259 4.029) 8.646 13.441 ( 3.089 -9.254 -5.929) 11.417 13.577 ( -10.022 -5.147 -6.978) 13.252 13.859 ( 4.433 -7.010 8.437) 11.831 13.985 ( -7.585 -5.415 6.693) 11.474 14.231 ( 5.045 5.034 -4.036) 8.190 14.333 ( -4.012 4.019 -4.769) 7.416 14.666 ( 3.616 -6.227 1.421) 7.339 14.713 ( -0.347 -6.402 0.225) 6.416 14.926 ( 2.885 -5.559 0.571) 6.289 14.980 ( -1.778 -6.738 -1.221) 7.074 17.135 ( 4.995 3.515 0.925) 6.178 17.193 ( -0.296 2.080 -0.800) 2.248 17.492 ( 2.993 -0.677 -2.143) 3.743 17.541 ( -1.174 -0.323 -3.490) 3.696 18.820 ( 2.758 -14.105 3.638) 14.825 18.890 ( -3.694 -15.979 3.836) 16.844 19.138 ( 2.291 -16.277 0.421) 16.442 19.221 ( -5.418 -18.010 -1.198) 18.846 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 0.000 18.063 7.581) 19.589 1.823 ( 0.000 17.406 2.799) 17.630 2.151 ( 0.000 15.639 1.283) 15.691 2.189 ( 0.000 19.502 4.359) 19.983 2.578 ( 0.000 3.472 -4.139) 5.402 2.597 ( 0.000 2.876 5.038) 5.801 2.794 ( 0.000 5.100 -9.184) 10.505 2.809 ( 0.000 4.639 -2.632) 5.333 3.037 ( 0.000 9.374 -6.922) 11.652 3.086 ( 0.000 1.005 -11.262) 11.306 3.444 ( 0.000 37.505 8.600) 38.479 3.521 ( 0.000 13.495 0.883) 13.524 3.573 ( 0.000 9.864 2.106) 10.086 3.698 ( 0.000 23.754 1.038) 23.777 3.812 ( 0.000 12.964 6.352) 14.437 3.894 ( 0.000 25.056 0.991) 25.075 4.010 ( 0.000 20.368 10.395) 22.867 4.071 ( 0.000 19.525 -2.081) 19.635 4.334 ( 0.000 25.109 -2.441) 25.227 4.394 ( 0.000 3.914 6.138) 7.280 4.397 ( 0.000 2.943 -7.385) 7.949 4.546 ( 0.000 8.142 -6.170) 10.216 4.640 ( 0.000 4.787 7.234) 8.674 4.647 ( 0.000 9.534 -5.801) 11.160 4.718 ( 0.000 5.228 -3.486) 6.284 5.225 ( 0.000 -0.326 -5.780) 5.789 5.278 ( 0.000 12.938 0.162) 12.939 5.305 ( 0.000 33.588 0.803) 33.598 5.407 ( 0.000 25.159 2.260) 25.260 5.499 ( 0.000 36.017 -1.949) 36.070 5.665 ( 0.000 24.053 4.278) 24.431 5.860 ( 0.000 7.595 -3.466) 8.348 6.528 ( 0.000 -6.029 4.818) 7.718 6.767 ( 0.000 -9.191 -3.336) 9.778 6.869 ( 0.000 -1.284 2.829) 3.107 6.905 ( 0.000 2.553 1.580) 3.002 6.998 ( 0.000 -7.682 0.860) 7.730 7.054 ( 0.000 -5.336 -0.720) 5.384 7.396 ( 0.000 -5.354 -0.840) 5.420 7.435 ( 0.000 -12.181 -2.004) 12.345 8.253 ( 0.000 -2.870 4.923) 5.699 8.559 ( 0.000 -5.996 -6.637) 8.944 8.663 ( 0.000 -1.004 3.684) 3.819 8.880 ( 0.000 -0.210 -3.026) 3.034 8.945 ( 0.000 0.505 1.815) 1.884 9.181 ( 0.000 -0.222 -6.486) 6.490 9.452 ( 0.000 11.160 2.908) 11.533 9.617 ( 0.000 9.425 -3.427) 10.028 10.358 ( 0.000 6.143 7.670) 9.827 10.400 ( 0.000 15.107 7.823) 17.012 10.409 ( 0.000 6.688 2.302) 7.073 10.549 ( 0.000 11.101 1.127) 11.158 10.739 ( 0.000 19.008 -5.406) 19.762 10.842 ( 0.000 14.553 -1.214) 14.603 11.044 ( 0.000 7.044 0.856) 7.096 11.075 ( 0.000 -1.462 -4.570) 4.799 11.223 ( 0.000 2.134 -2.503) 3.289 11.238 ( 0.000 8.810 -4.351) 9.826 11.643 ( 0.000 4.837 6.300) 7.943 11.876 ( 0.000 10.674 -2.890) 11.058 11.942 ( 0.000 11.919 3.928) 12.550 12.162 ( 0.000 0.558 -2.720) 2.777 12.705 ( 0.000 4.590 1.948) 4.987 12.842 ( 0.000 -5.232 -2.293) 5.713 13.042 ( 0.000 -1.735 -4.970) 5.264 13.155 ( 0.000 -1.146 -8.551) 8.628 13.496 ( 0.000 -6.763 10.015) 12.085 13.652 ( 0.000 -0.691 12.710) 12.729 13.945 ( 0.000 -7.127 5.252) 8.853 14.002 ( 0.000 -10.254 -8.977) 13.628 14.340 ( 0.000 9.148 -5.214) 10.530 14.378 ( 0.000 -10.828 2.679) 11.154 14.519 ( 0.000 -3.214 -4.882) 5.845 14.617 ( 0.000 -5.385 3.523) 6.435 14.638 ( 0.000 -10.534 -4.395) 11.414 14.711 ( 0.000 -5.881 -0.086) 5.882 17.030 ( 0.000 0.536 1.496) 1.589 17.180 ( 0.000 1.039 -4.251) 4.376 17.402 ( 0.000 -0.153 1.112) 1.123 17.520 ( 0.000 0.212 -4.486) 4.491 18.482 ( 0.000 -15.092 3.377) 15.465 18.596 ( 0.000 -18.998 2.862) 19.212 18.744 ( 0.000 -19.925 3.221) 20.184 18.929 ( 0.000 -23.209 -1.676) 23.269 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 9.190 17.117 5.677) 20.241 1.865 ( 4.347 15.923 2.569) 16.705 2.124 ( -0.262 16.086 3.680) 16.504 2.279 ( 5.199 16.683 0.070) 17.475 2.581 ( -1.673 4.634 -0.918) 5.012 2.631 ( 1.426 3.186 -1.376) 3.752 2.669 ( -9.792 7.982 -2.480) 12.875 2.823 ( 2.191 3.179 -0.080) 3.861 2.927 ( -3.060 5.073 -10.453) 12.015 3.185 ( 1.674 4.337 -8.606) 9.781 3.463 ( -0.819 11.621 5.551) 12.905 3.506 ( 3.985 29.440 6.277) 30.365 3.597 ( 0.668 16.039 0.718) 16.069 3.673 ( -2.699 22.989 1.584) 23.201 3.779 ( -1.670 20.419 2.220) 20.607 3.861 ( -3.312 19.058 -0.011) 19.344 4.005 ( -0.384 15.648 9.008) 18.060 4.067 ( 0.016 19.354 -0.482) 19.360 4.236 ( -5.627 13.122 -1.212) 14.329 4.285 ( -4.818 17.576 -0.177) 18.226 4.446 ( -3.051 7.416 -1.327) 8.128 4.555 ( 3.362 6.902 -7.566) 10.779 4.648 ( 5.395 12.941 0.605) 14.034 4.790 ( 7.445 0.694 -5.444) 9.249 4.885 ( 11.263 4.872 1.097) 12.321 5.162 ( -4.943 0.956 -4.104) 6.496 5.269 ( -0.531 13.924 3.638) 14.402 5.328 ( 1.325 30.350 1.035) 30.397 5.394 ( -1.528 23.696 1.368) 23.784 5.519 ( 2.148 36.620 -3.275) 36.829 5.671 ( 0.202 25.256 2.352) 25.366 5.736 ( -10.381 10.160 -0.595) 14.538 6.584 ( 4.945 -6.664 2.909) 8.793 6.722 ( -2.973 -7.914 -2.076) 8.705 6.838 ( -2.958 -3.298 2.324) 5.002 6.875 ( -1.787 1.215 0.407) 2.198 7.076 ( 6.266 -6.036 1.272) 8.793 7.138 ( 5.675 -4.652 -2.224) 7.667 7.351 ( -1.676 -6.422 1.949) 6.917 7.482 ( 1.858 -12.187 -2.846) 12.652 8.357 ( 8.709 -3.538 4.418) 10.387 8.526 ( -1.193 -1.984 2.067) 3.103 8.709 ( 0.180 -5.070 -4.326) 6.667 8.838 ( -0.948 0.307 -3.893) 4.019 8.985 ( 3.229 1.180 3.095) 4.625 9.208 ( 2.354 3.116 -4.774) 6.168 9.409 ( -3.554 10.183 1.719) 10.921 9.554 ( -6.594 6.760 -3.904) 10.219 10.331 ( -0.853 5.332 4.841) 7.253 10.370 ( 0.799 10.890 3.097) 11.350 10.464 ( 0.602 15.164 1.902) 15.295 10.558 ( 0.935 15.599 3.018) 15.916 10.788 ( 4.836 16.857 -2.143) 17.667 10.944 ( 0.006 6.083 -4.962) 7.850 10.979 ( 2.640 8.065 3.769) 9.286 11.043 ( -1.306 1.433 2.800) 3.406 11.249 ( 1.081 3.674 -4.761) 6.110 11.329 ( 8.484 9.052 -5.461) 13.555 11.615 ( -2.465 6.251 6.097) 9.074 11.831 ( -2.974 8.229 -2.538) 9.110 12.039 ( 7.362 9.187 2.738) 12.087 12.187 ( 1.581 -1.789 -1.866) 3.030 12.605 ( -8.304 3.514 1.557) 9.151 12.714 ( -12.087 -2.199 -3.651) 12.817 13.042 ( 0.589 -2.510 -2.586) 3.651 13.178 ( 1.986 -1.216 -6.982) 7.361 13.405 ( -6.440 -4.199 8.065) 11.142 13.693 ( 1.860 -0.281 9.680) 9.861 13.781 ( -8.144 -3.536 0.945) 8.929 14.088 ( -4.412 -5.420 -4.075) 8.090 14.307 ( 1.285 0.920 -0.678) 1.720 14.376 ( -1.880 -4.687 2.750) 5.750 14.457 ( -1.331 -5.280 -3.639) 6.550 14.503 ( -0.733 -6.416 -4.065) 7.631 14.736 ( 1.442 -7.768 0.833) 7.945 14.777 ( 3.325 -9.939 -1.320) 10.563 17.078 ( 4.132 0.299 0.791) 4.218 17.197 ( 1.319 0.625 -3.865) 4.131 17.422 ( 1.947 -0.247 1.407) 2.415 17.535 ( 0.784 -0.335 -2.796) 2.923 18.485 ( 0.362 -15.431 3.069) 15.737 18.580 ( -1.430 -18.620 2.828) 18.888 18.747 ( 0.446 -19.356 1.791) 19.444 18.892 ( -3.175 -22.302 -1.654) 22.587 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 13.655 12.747 2.998) 18.920 1.991 ( 6.487 13.019 3.114) 14.876 2.110 ( -1.512 14.616 3.883) 15.198 2.323 ( -15.106 7.546 -1.231) 16.931 2.391 ( 3.192 15.761 -0.154) 16.082 2.500 ( -5.685 10.787 -1.954) 12.349 2.750 ( 6.435 6.087 -5.325) 10.335 2.871 ( -3.709 6.587 -10.681) 13.086 2.932 ( 6.975 1.348 4.885) 8.622 3.093 ( -7.957 0.497 2.861) 8.470 3.529 ( 5.588 8.078 -1.340) 9.914 3.581 ( -0.549 13.047 0.075) 13.059 3.618 ( -0.174 23.711 2.540) 23.847 3.631 ( 3.853 30.149 3.304) 30.573 3.744 ( -4.243 17.637 -1.559) 18.207 3.760 ( -3.847 21.163 -2.511) 21.656 4.014 ( 2.081 12.977 7.415) 15.090 4.068 ( -1.205 16.762 4.113) 17.302 4.156 ( -1.504 16.767 -0.232) 16.836 4.185 ( -3.687 17.784 -0.115) 18.163 4.461 ( 4.453 9.003 -3.621) 10.677 4.565 ( -3.137 8.403 -8.206) 12.157 4.780 ( 6.106 9.005 0.449) 10.890 4.868 ( -0.960 3.833 -4.123) 5.710 5.083 ( 2.985 3.342 -0.506) 4.510 5.110 ( 2.424 6.709 -1.325) 7.256 5.244 ( 0.665 8.050 3.134) 8.664 5.327 ( -3.660 12.033 -0.201) 12.579 5.379 ( 3.050 36.564 3.748) 36.882 5.512 ( -9.333 20.674 3.278) 22.919 5.587 ( 3.800 32.920 -3.830) 33.359 5.654 ( -2.105 28.330 -1.455) 28.445 6.677 ( 2.314 -8.425 1.193) 8.818 6.715 ( 2.148 -7.003 0.177) 7.327 6.766 ( -1.873 -3.850 2.709) 5.066 6.826 ( -3.283 -1.309 0.169) 3.539 7.186 ( 3.693 -1.997 -0.315) 4.210 7.224 ( 0.768 -1.206 -2.152) 2.583 7.377 ( 4.768 -11.792 1.812) 12.848 7.475 ( -2.928 -13.340 -2.047) 13.810 8.488 ( 2.756 -0.550 3.509) 4.495 8.554 ( -1.307 -2.664 5.532) 6.278 8.684 ( 6.044 -2.406 -1.736) 6.733 8.840 ( -3.950 -2.164 -2.687) 5.245 9.093 ( 8.461 0.716 -1.247) 8.582 9.250 ( -0.485 5.099 -5.523) 7.533 9.336 ( -2.815 8.793 -0.755) 9.264 9.365 ( -8.405 5.334 -1.490) 10.065 10.360 ( 3.078 9.182 3.415) 10.269 10.430 ( -2.391 13.149 1.026) 13.403 10.439 ( 4.371 14.250 1.158) 14.951 10.536 ( -3.065 19.542 0.399) 19.785 10.849 ( -2.428 2.201 1.982) 3.830 10.861 ( -2.750 9.586 1.770) 10.128 11.028 ( 7.401 7.682 -0.967) 10.710 11.144 ( -1.166 9.541 -4.705) 10.702 11.334 ( 9.996 4.865 3.005) 11.516 11.512 ( -3.382 6.171 6.563) 9.622 11.590 ( 11.474 4.754 -4.896) 13.350 11.792 ( -2.374 3.578 -4.094) 5.933 12.113 ( -2.695 5.113 1.739) 6.036 12.138 ( -7.457 -2.376 1.095) 7.902 12.463 ( -2.108 1.988 -0.919) 3.040 12.492 ( -4.320 1.037 -2.363) 5.032 13.078 ( 3.348 0.039 1.422) 3.638 13.180 ( -4.519 1.112 3.744) 5.973 13.342 ( 4.327 -0.916 -6.454) 7.824 13.538 ( -12.100 0.741 -6.955) 13.976 13.780 ( 4.238 -0.719 10.967) 11.780 13.903 ( -8.037 -2.685 7.047) 11.021 14.328 ( 2.008 2.106 -4.075) 5.007 14.392 ( -3.678 -0.830 -5.445) 6.623 14.477 ( 5.895 -9.740 0.744) 11.410 14.531 ( 0.731 -9.182 -1.341) 9.308 14.755 ( 0.797 -10.189 0.548) 10.235 14.785 ( -1.597 -11.268 -0.713) 11.403 17.169 ( 3.754 -0.203 -0.716) 3.827 17.213 ( -0.333 -0.119 -2.471) 2.497 17.477 ( 2.982 -0.529 1.481) 3.371 17.529 ( -1.541 -0.661 0.025) 1.677 18.503 ( 1.406 -16.371 2.225) 16.582 18.541 ( -2.101 -17.541 2.164) 17.799 18.768 ( 1.643 -19.139 -0.081) 19.209 18.820 ( -3.256 -20.390 -1.204) 20.683 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 0.000 15.333 3.842) 15.807 2.141 ( 0.000 13.909 -4.047) 14.486 2.469 ( 0.000 14.356 5.244) 15.284 2.553 ( 0.000 10.511 -0.698) 10.534 2.642 ( 0.000 1.893 3.832) 4.274 2.647 ( 0.000 8.547 2.498) 8.904 2.910 ( 0.000 4.755 -3.460) 5.881 2.946 ( 0.000 9.369 -4.360) 10.334 3.112 ( 0.000 2.186 -10.682) 10.903 3.170 ( 0.000 5.389 -6.136) 8.166 3.584 ( 0.000 -3.195 4.625) 5.621 3.665 ( 0.000 2.270 -2.816) 3.617 3.889 ( 0.000 5.538 8.146) 9.850 4.144 ( 0.000 14.644 3.358) 15.024 4.216 ( 0.000 -2.199 5.650) 6.063 4.237 ( 0.000 4.891 -3.685) 6.124 4.281 ( 0.000 26.546 4.632) 26.948 4.376 ( 0.000 13.213 7.868) 15.378 4.470 ( 0.000 3.769 2.700) 4.636 4.552 ( 0.000 3.195 -1.390) 3.484 4.684 ( 0.000 15.957 -1.043) 15.991 4.719 ( 0.000 17.496 -2.075) 17.619 4.868 ( 0.000 23.000 -3.948) 23.336 4.974 ( 0.000 14.109 -12.403) 18.785 5.086 ( 0.000 22.785 1.056) 22.809 5.242 ( 0.000 8.825 -2.146) 9.082 5.466 ( 0.000 6.158 0.876) 6.220 5.492 ( 0.000 -2.167 0.157) 2.173 6.042 ( 0.000 30.441 3.300) 30.620 6.215 ( 0.000 31.390 -1.408) 31.421 6.250 ( 0.000 13.876 4.560) 14.606 6.267 ( 0.000 28.173 -0.281) 28.174 6.472 ( 0.000 8.359 -1.658) 8.522 6.597 ( 0.000 -6.650 -3.264) 7.408 6.829 ( 0.000 -2.362 2.658) 3.556 6.900 ( 0.000 0.062 2.647) 2.648 6.925 ( 0.000 -2.626 -2.301) 3.491 7.015 ( 0.000 4.220 0.146) 4.223 7.217 ( 0.000 -8.637 1.563) 8.778 7.313 ( 0.000 -3.088 -1.910) 3.631 8.264 ( 0.000 4.310 2.817) 5.149 8.498 ( 0.000 0.607 -6.930) 6.957 8.681 ( 0.000 3.267 5.333) 6.254 8.849 ( 0.000 0.457 4.395) 4.418 9.022 ( 0.000 4.503 -2.915) 5.364 9.191 ( 0.000 1.237 -5.950) 6.077 9.571 ( 0.000 1.471 3.320) 3.631 9.722 ( 0.000 1.039 -2.717) 2.908 10.390 ( 0.000 -0.193 5.883) 5.886 10.502 ( 0.000 4.233 1.338) 4.440 10.592 ( 0.000 4.785 10.445) 11.489 10.713 ( 0.000 2.038 0.298) 2.060 10.964 ( 0.000 -4.956 -7.997) 9.408 11.049 ( 0.000 13.208 -0.302) 13.211 11.112 ( 0.000 3.668 -0.133) 3.671 11.168 ( 0.000 6.110 -0.968) 6.186 11.397 ( 0.000 13.432 -4.437) 14.146 11.425 ( 0.000 8.973 -14.408) 16.974 11.809 ( 0.000 9.665 5.939) 11.344 12.072 ( 0.000 8.739 -4.017) 9.618 12.204 ( 0.000 10.758 3.312) 11.256 12.263 ( 0.000 8.995 7.228) 11.540 12.724 ( 0.000 -5.491 3.073) 6.293 12.790 ( 0.000 4.403 2.753) 5.193 13.083 ( 0.000 4.964 -2.854) 5.726 13.211 ( 0.000 4.685 -7.418) 8.774 13.301 ( 0.000 -11.827 7.003) 13.745 13.678 ( 0.000 -13.369 -6.812) 15.005 13.745 ( 0.000 2.227 7.055) 7.398 13.803 ( 0.000 -6.254 5.044) 8.035 14.104 ( 0.000 -14.535 7.107) 16.179 14.394 ( 0.000 -8.467 -6.447) 10.642 14.427 ( 0.000 -5.160 -5.943) 7.871 14.476 ( 0.000 -4.869 -4.977) 6.963 14.591 ( 0.000 1.312 1.462) 1.965 14.637 ( 0.000 3.041 -0.527) 3.086 17.007 ( 0.000 -1.836 1.073) 2.126 17.188 ( 0.000 -0.025 -6.959) 6.959 17.412 ( 0.000 0.825 3.412) 3.511 17.518 ( 0.000 -0.005 0.804) 0.804 18.172 ( 0.000 -14.697 2.314) 14.878 18.223 ( 0.000 -16.990 2.911) 17.238 18.339 ( 0.000 -19.202 0.496) 19.209 18.479 ( 0.000 -20.123 -2.420) 20.268 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 7.294 14.242 2.133) 16.143 2.162 ( 2.224 13.179 -3.717) 13.872 2.438 ( -1.704 13.289 3.845) 13.939 2.579 ( -0.960 8.054 -2.508) 8.490 2.679 ( 4.689 3.262 4.797) 7.459 2.687 ( 2.423 8.586 1.236) 9.007 2.851 ( -5.724 9.459 0.164) 11.057 2.920 ( 0.026 6.667 -3.689) 7.620 3.039 ( -1.690 6.346 -7.421) 9.910 3.245 ( 0.053 2.728 -8.641) 9.062 3.503 ( -4.461 -1.292 5.695) 7.349 3.677 ( 1.693 -1.397 -1.770) 2.820 3.892 ( -1.422 4.152 5.062) 6.699 4.032 ( -5.714 5.240 0.738) 7.788 4.142 ( -4.530 11.327 5.810) 13.511 4.228 ( -4.483 6.104 -2.634) 8.018 4.343 ( 3.721 21.057 5.116) 21.987 4.402 ( 2.218 16.676 5.991) 17.858 4.476 ( 3.399 9.248 4.256) 10.733 4.602 ( 1.041 11.897 -0.370) 11.948 4.723 ( 1.395 17.998 -2.573) 18.234 4.746 ( 3.043 6.740 -2.982) 7.974 4.835 ( -1.620 18.052 -3.373) 18.436 4.986 ( 0.082 8.666 -8.895) 12.419 5.108 ( 2.583 16.849 0.532) 17.055 5.232 ( 0.424 12.876 -2.792) 13.182 5.455 ( 0.025 5.426 2.125) 5.828 5.492 ( -2.155 4.281 -0.195) 4.797 6.052 ( 0.923 30.045 2.881) 30.197 6.170 ( -3.266 19.338 0.766) 19.627 6.251 ( 1.530 31.140 0.707) 31.185 6.300 ( 1.561 28.225 0.092) 28.268 6.489 ( 1.146 0.735 -1.497) 2.024 6.594 ( -0.216 -2.042 -4.690) 5.120 6.791 ( -2.800 -0.140 4.194) 5.045 6.913 ( -1.283 2.349 -0.171) 2.682 6.954 ( 4.501 -4.669 2.460) 6.936 7.067 ( 4.566 -1.194 -1.586) 4.979 7.217 ( -0.030 -7.715 1.262) 7.818 7.300 ( -1.552 -4.481 -1.698) 5.037 8.351 ( 7.706 3.504 2.976) 8.973 8.540 ( 3.007 3.469 -1.684) 4.890 8.664 ( -1.036 1.480 0.576) 1.897 8.866 ( 1.174 3.187 0.388) 3.418 9.017 ( 0.268 2.004 1.400) 2.459 9.251 ( 4.698 1.589 -4.801) 6.903 9.530 ( -3.323 2.577 1.313) 4.406 9.623 ( -9.053 0.561 -2.192) 9.332 10.393 ( 1.666 1.752 5.323) 5.847 10.533 ( 3.470 5.628 0.761) 6.655 10.659 ( 1.652 4.136 7.378) 8.618 10.725 ( 4.089 1.304 1.286) 4.481 10.919 ( -3.300 -4.356 -6.298) 8.338 11.079 ( -1.640 8.462 1.338) 8.722 11.133 ( -1.850 7.052 -2.820) 7.817 11.188 ( 9.568 10.444 2.780) 14.434 11.430 ( 1.159 11.804 -7.172) 13.860 11.488 ( 6.154 5.636 -11.477) 14.190 11.762 ( -3.930 7.154 4.705) 9.422 11.990 ( -6.415 7.191 -3.406) 10.221 12.240 ( -0.665 7.294 6.386) 9.718 12.247 ( 0.904 8.520 4.082) 9.490 12.652 ( -6.777 -3.262 0.346) 7.529 12.671 ( -9.590 3.583 2.102) 10.451 13.071 ( 0.415 4.452 -0.893) 4.559 13.226 ( 1.086 3.508 -3.354) 4.973 13.290 ( 0.214 -5.934 3.818) 7.060 13.649 ( -1.675 -8.001 -6.431) 10.401 13.789 ( 2.672 5.450 8.704) 10.611 13.904 ( 4.472 -8.952 2.121) 10.229 14.097 ( 0.307 -15.192 6.204) 16.413 14.275 ( -7.705 -3.355 -1.775) 8.590 14.423 ( -1.520 -6.288 -6.302) 9.031 14.440 ( -0.580 -2.812 -5.252) 5.986 14.581 ( -0.864 -5.489 0.125) 5.558 14.653 ( -0.745 0.486 -1.648) 1.873 17.056 ( 4.114 -1.642 0.191) 4.434 17.198 ( 0.622 -0.297 -6.126) 6.165 17.426 ( 1.392 0.331 3.582) 3.858 17.526 ( 0.387 -0.288 1.477) 1.553 18.170 ( -0.147 -14.833 2.251) 15.003 18.215 ( -0.756 -16.713 2.357) 16.896 18.352 ( 1.142 -18.685 0.052) 18.720 18.457 ( -1.903 -19.608 -2.241) 19.827 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 8.153 11.390 -0.227) 14.009 2.237 ( 4.526 10.970 -2.752) 12.182 2.386 ( -3.122 11.636 0.823) 12.075 2.464 ( -8.741 6.449 -1.381) 10.950 2.722 ( 1.772 14.874 0.374) 14.984 2.754 ( -0.416 11.247 -0.841) 11.286 2.849 ( 7.334 6.067 3.374) 10.098 2.976 ( 4.549 3.435 0.102) 5.701 3.005 ( -3.455 6.826 -4.956) 9.116 3.108 ( -9.117 2.075 0.780) 9.382 3.527 ( 5.078 -2.926 -2.033) 6.203 3.654 ( -5.435 -2.435 -5.326) 7.990 3.884 ( 3.112 2.796 3.251) 5.298 3.958 ( -2.308 4.930 -1.133) 5.560 4.063 ( -1.964 10.624 8.136) 13.525 4.107 ( -5.652 4.742 3.807) 8.302 4.421 ( 3.452 24.947 3.058) 25.370 4.445 ( 1.301 21.769 3.732) 22.125 4.569 ( 3.793 19.813 1.508) 20.229 4.605 ( 0.317 9.681 -2.948) 10.125 4.671 ( -2.886 21.549 -0.106) 21.741 4.728 ( -4.842 6.297 -4.115) 8.946 4.903 ( 5.374 3.605 -0.571) 6.496 4.973 ( -1.297 4.147 -3.219) 5.408 5.198 ( 5.118 10.147 -0.846) 11.396 5.266 ( 0.550 11.547 -3.858) 12.187 5.415 ( -2.191 10.058 1.092) 10.352 5.442 ( -2.298 11.395 0.271) 11.627 6.078 ( 1.473 28.110 2.150) 28.231 6.114 ( -2.079 23.845 1.515) 23.983 6.291 ( 1.930 32.379 -1.598) 32.476 6.318 ( -0.261 31.387 -1.393) 31.419 6.517 ( 2.494 -6.502 -0.409) 6.976 6.584 ( -2.328 -3.894 -2.080) 4.991 6.761 ( 1.751 4.765 3.435) 6.129 6.842 ( -4.537 3.998 0.443) 6.063 7.097 ( 7.496 -8.796 1.184) 11.618 7.159 ( 3.545 -4.186 -1.285) 5.634 7.207 ( -1.329 -6.899 0.280) 7.031 7.235 ( -4.687 -5.300 -0.811) 7.121 8.519 ( 5.742 3.696 3.449) 7.651 8.575 ( -0.447 5.323 5.563) 7.712 8.686 ( 5.450 2.882 -2.424) 6.625 8.842 ( -5.730 3.009 -3.227) 7.232 9.092 ( 8.703 0.020 1.905) 8.909 9.305 ( -5.593 1.352 -5.434) 7.914 9.421 ( -3.020 1.574 0.492) 3.441 9.465 ( -3.242 3.490 -1.395) 4.964 10.477 ( 5.758 2.873 4.326) 7.754 10.597 ( -4.482 3.301 3.248) 6.445 10.660 ( 7.013 7.003 -2.127) 10.137 10.821 ( -5.420 6.525 -3.994) 9.376 10.855 ( 4.846 -0.445 3.619) 6.064 11.001 ( -7.080 3.667 4.529) 9.169 11.183 ( 9.429 7.646 -3.015) 12.508 11.362 ( -3.609 9.262 -3.782) 10.635 11.445 ( 8.624 5.539 -0.097) 10.250 11.629 ( -3.024 5.247 2.617) 6.597 11.688 ( 5.624 4.114 -7.368) 10.141 11.860 ( -6.325 3.754 -5.049) 8.921 12.157 ( -2.773 4.418 7.633) 9.245 12.225 ( -5.972 5.017 2.689) 8.250 12.516 ( -2.391 3.219 0.264) 4.018 12.532 ( -3.162 2.154 -1.445) 4.090 13.127 ( 4.365 4.341 2.545) 6.661 13.210 ( -2.795 1.302 5.183) 6.031 13.367 ( 7.199 2.371 -5.949) 9.636 13.555 ( -8.531 -1.027 -7.667) 11.516 13.820 ( 1.076 3.708 8.112) 8.983 13.869 ( -3.893 -0.644 6.394) 7.513 14.168 ( 4.067 -13.536 2.837) 14.416 14.209 ( -0.243 -9.037 1.670) 9.193 14.398 ( 0.649 -6.254 -7.130) 9.507 14.436 ( -1.054 -4.037 -6.860) 8.029 14.563 ( -0.108 -7.132 0.421) 7.145 14.601 ( -3.201 -3.415 -1.098) 4.808 17.146 ( 3.805 -1.352 -1.829) 4.433 17.198 ( -1.020 -0.933 -4.091) 4.318 17.470 ( 2.604 -0.378 3.651) 4.500 17.517 ( -1.477 -0.579 2.866) 3.276 18.172 ( 0.577 -15.353 1.542) 15.441 18.193 ( -1.207 -15.988 1.429) 16.097 18.381 ( 1.453 -18.112 -0.643) 18.182 18.414 ( -1.888 -18.554 -1.521) 18.712 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 0.000 12.961 1.526) 13.051 2.399 ( 0.000 11.210 -6.019) 12.724 2.612 ( 0.000 0.968 1.634) 1.899 2.654 ( 0.000 3.000 0.482) 3.039 2.741 ( 0.000 8.441 6.967) 10.945 2.902 ( 0.000 8.494 -2.737) 8.924 3.008 ( 0.000 6.470 -1.745) 6.701 3.148 ( 0.000 8.221 -4.839) 9.540 3.193 ( 0.000 6.777 -5.448) 8.696 3.283 ( 0.000 5.277 2.615) 5.890 3.495 ( 0.000 -4.334 5.381) 6.909 3.680 ( 0.000 0.678 -9.302) 9.326 3.906 ( 0.000 -2.288 9.828) 10.091 4.146 ( 0.000 -3.852 2.547) 4.618 4.178 ( 0.000 -5.703 -5.908) 8.211 4.282 ( 0.000 -1.488 5.589) 5.784 4.403 ( 0.000 -3.126 -1.134) 3.325 4.418 ( 0.000 -2.187 -1.550) 2.681 4.608 ( 0.000 2.943 6.475) 7.113 4.887 ( 0.000 9.727 -2.576) 10.062 4.999 ( 0.000 14.733 3.049) 15.046 5.084 ( 0.000 19.354 1.223) 19.393 5.257 ( 0.000 15.809 -4.347) 16.396 5.265 ( 0.000 15.741 -3.148) 16.053 5.516 ( 0.000 14.496 -0.442) 14.503 5.535 ( 0.000 14.654 -0.793) 14.676 5.554 ( 0.000 12.802 -0.349) 12.806 5.566 ( 0.000 3.796 -0.881) 3.897 6.247 ( 0.000 -2.028 4.237) 4.697 6.468 ( 0.000 -3.054 -5.076) 5.924 6.517 ( 0.000 13.334 3.213) 13.715 6.628 ( 0.000 4.969 1.503) 5.192 6.692 ( 0.000 11.648 1.084) 11.698 6.815 ( 0.000 7.165 1.812) 7.391 6.930 ( 0.000 10.655 -7.199) 12.859 6.950 ( 0.000 16.162 -2.312) 16.327 7.041 ( 0.000 13.209 3.569) 13.682 7.095 ( 0.000 -1.121 2.606) 2.837 7.190 ( 0.000 11.216 1.317) 11.293 7.262 ( 0.000 -1.270 -1.846) 2.241 8.428 ( 0.000 11.176 1.296) 11.251 8.585 ( 0.000 7.492 -6.267) 9.768 8.799 ( 0.000 7.822 5.173) 9.378 8.926 ( 0.000 6.744 7.339) 9.967 9.114 ( 0.000 4.426 -4.224) 6.118 9.237 ( 0.000 3.353 -4.308) 5.459 9.549 ( 0.000 -2.863 2.990) 4.140 9.686 ( 0.000 -3.830 -2.453) 4.548 10.426 ( 0.000 4.439 7.511) 8.725 10.578 ( 0.000 1.636 1.751) 2.396 10.609 ( 0.000 -3.033 3.489) 4.623 10.694 ( 0.000 -1.250 3.279) 3.509 10.891 ( 0.000 0.318 -9.487) 9.492 11.042 ( 0.000 -6.312 -3.099) 7.032 11.297 ( 0.000 5.793 -0.686) 5.833 11.351 ( 0.000 14.313 -0.437) 14.319 11.543 ( 0.000 1.731 -10.992) 11.128 11.681 ( 0.000 13.224 -6.042) 14.539 11.952 ( 0.000 2.914 5.306) 6.054 12.197 ( 0.000 2.420 -4.157) 4.810 12.351 ( 0.000 4.328 4.268) 6.079 12.460 ( 0.000 8.190 12.761) 15.163 12.622 ( 0.000 -4.547 3.867) 5.969 12.897 ( 0.000 5.640 1.782) 5.915 13.024 ( 0.000 -12.125 2.188) 12.321 13.194 ( 0.000 -15.225 -2.386) 15.411 13.263 ( 0.000 10.514 0.265) 10.517 13.398 ( 0.000 -0.804 -7.286) 7.331 13.704 ( 0.000 -3.283 2.912) 4.389 13.712 ( 0.000 -14.099 7.004) 15.743 14.001 ( 0.000 8.163 0.237) 8.167 14.120 ( 0.000 -15.958 -4.453) 16.568 14.328 ( 0.000 -4.221 -3.571) 5.529 14.415 ( 0.000 -0.780 -2.366) 2.491 14.635 ( 0.000 2.631 1.209) 2.895 14.739 ( 0.000 4.393 -3.697) 5.742 16.983 ( 0.000 -0.129 1.195) 1.202 17.184 ( 0.000 -0.371 -8.243) 8.251 17.425 ( 0.000 0.149 3.964) 3.967 17.528 ( 0.000 0.881 3.285) 3.401 17.897 ( 0.000 -11.918 2.061) 12.095 17.911 ( 0.000 -13.440 3.575) 13.907 17.982 ( 0.000 -14.969 -0.980) 15.002 18.126 ( 0.000 -13.981 -3.312) 14.368 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 5.391 11.889 -0.070) 13.055 2.405 ( 0.781 10.455 -5.482) 11.830 2.621 ( 0.209 3.783 0.646) 3.843 2.655 ( -1.070 3.065 0.541) 3.291 2.745 ( 0.931 5.005 6.393) 8.172 2.898 ( 0.610 6.385 -2.014) 6.723 3.012 ( 0.858 7.270 -1.455) 7.464 3.121 ( -1.516 10.850 -2.293) 11.193 3.188 ( -0.600 8.060 -2.972) 8.612 3.317 ( 2.076 3.703 -1.977) 4.683 3.468 ( -5.530 -0.807 3.532) 6.611 3.611 ( -1.061 -3.061 -3.312) 4.633 3.912 ( -1.760 -1.201 5.308) 5.720 4.050 ( -4.330 -0.613 -0.183) 4.377 4.157 ( -2.899 -6.704 0.718) 7.339 4.236 ( -4.214 -1.712 5.180) 6.893 4.469 ( 6.269 -2.744 0.187) 6.846 4.512 ( 4.872 -1.423 -3.600) 6.223 4.663 ( 5.194 0.009 5.001) 7.210 4.891 ( 0.406 9.037 -3.337) 9.642 5.016 ( 1.276 13.818 2.474) 14.096 5.071 ( -0.879 19.532 0.362) 19.555 5.170 ( -5.694 13.756 -1.537) 14.966 5.249 ( -2.884 19.420 -2.702) 19.818 5.463 ( -1.765 15.229 -0.559) 15.341 5.516 ( 0.356 11.961 -2.564) 12.238 5.626 ( 3.314 6.963 -0.091) 7.711 5.648 ( 4.333 12.721 0.210) 13.440 6.262 ( 1.974 -0.469 2.827) 3.480 6.442 ( -1.217 -0.021 -3.867) 4.054 6.499 ( -2.261 10.266 2.326) 10.767 6.627 ( -1.678 3.192 -0.850) 3.705 6.723 ( 4.081 10.045 2.985) 11.246 6.859 ( 2.820 9.706 0.667) 10.129 6.921 ( -0.554 11.393 -4.345) 12.206 6.957 ( 0.804 13.433 -1.018) 13.496 7.037 ( -0.439 12.292 2.565) 12.565 7.102 ( 0.466 -1.301 2.180) 2.581 7.176 ( -1.056 11.086 0.325) 11.141 7.243 ( -1.676 -0.668 -1.506) 2.350 8.501 ( 6.458 10.554 1.518) 12.465 8.657 ( 6.138 7.621 -5.483) 11.217 8.777 ( -1.527 8.826 4.613) 10.075 8.979 ( 4.146 7.434 5.174) 9.961 9.077 ( -3.007 4.033 -2.105) 5.454 9.287 ( 4.066 2.161 -3.601) 5.846 9.538 ( -1.201 -1.295 1.236) 2.156 9.610 ( -6.916 -1.253 -1.553) 7.198 10.437 ( 1.566 3.403 6.681) 7.659 10.599 ( 2.056 -0.116 2.293) 3.082 10.675 ( 3.662 -4.776 -0.636) 6.052 10.693 ( 2.210 0.591 5.290) 5.763 10.859 ( -1.970 0.060 -8.249) 8.481 11.080 ( 1.852 -4.678 0.440) 5.050 11.295 ( -0.417 6.299 -4.127) 7.542 11.431 ( 6.814 11.906 -0.929) 13.750 11.523 ( -1.616 0.209 -7.542) 7.716 11.689 ( 0.208 10.593 -5.584) 11.976 11.861 ( -6.009 2.443 4.563) 7.931 12.104 ( -7.837 3.537 -4.125) 9.536 12.365 ( 0.854 3.822 3.798) 5.455 12.410 ( -5.390 7.012 12.055) 14.951 12.588 ( -2.658 -3.121 -0.233) 4.106 12.752 ( -11.423 3.620 1.052) 12.029 13.086 ( 5.399 -9.803 3.767) 11.808 13.150 ( -0.373 -3.087 2.452) 3.961 13.345 ( 3.459 2.711 -3.423) 5.570 13.430 ( 2.697 -4.734 -6.398) 8.404 13.746 ( 2.598 -12.205 7.578) 14.600 13.809 ( 8.347 -2.667 2.609) 9.143 13.992 ( -1.215 8.372 1.069) 8.527 14.115 ( 0.036 -12.652 -5.122) 13.650 14.317 ( -3.239 -1.474 -2.644) 4.433 14.374 ( -1.643 -2.554 -2.433) 3.891 14.534 ( -6.604 0.088 1.650) 6.808 14.710 ( -3.917 2.770 -4.815) 6.797 17.037 ( 4.521 0.124 0.158) 4.525 17.193 ( 0.572 -0.076 -7.228) 7.251 17.425 ( 0.407 -0.587 4.261) 4.321 17.525 ( -0.449 0.067 3.276) 3.307 17.897 ( -0.244 -11.431 2.778) 11.766 17.908 ( -0.085 -13.095 2.447) 13.322 18.006 ( 1.992 -14.657 -1.060) 14.830 18.112 ( -1.242 -13.693 -3.169) 14.109 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 4.476 9.044 -2.522) 10.402 2.442 ( 3.023 9.442 -4.896) 11.057 2.571 ( -3.130 6.159 -0.809) 6.956 2.603 ( -3.913 7.573 -0.419) 8.535 2.815 ( 5.388 -0.159 5.794) 7.914 2.907 ( -1.849 1.781 2.719) 3.739 3.074 ( 5.188 6.333 -1.387) 8.304 3.118 ( 1.800 14.069 -1.192) 14.233 3.153 ( -2.700 7.327 -1.554) 7.962 3.241 ( -8.011 11.048 -1.968) 13.788 3.450 ( 4.882 -3.886 -1.636) 6.451 3.571 ( -5.044 -4.092 -3.543) 7.398 3.900 ( 2.935 -0.298 4.585) 5.452 3.994 ( -3.327 0.219 -0.332) 3.351 4.086 ( -1.124 -3.818 7.815) 8.770 4.143 ( -4.529 -1.384 5.324) 7.126 4.572 ( 3.178 -3.832 -0.878) 5.055 4.588 ( 1.796 -3.607 -1.334) 4.244 4.803 ( 6.720 -0.375 -1.946) 7.006 4.890 ( -1.358 5.425 -4.668) 7.285 5.013 ( -0.517 18.541 2.202) 18.679 5.053 ( -3.724 13.915 0.997) 14.439 5.099 ( 2.140 18.407 -0.393) 18.535 5.168 ( -4.087 20.135 -1.645) 20.612 5.466 ( 1.757 13.546 -0.041) 13.659 5.509 ( -1.560 11.882 -0.627) 12.000 5.681 ( 2.156 10.969 -0.668) 11.199 5.703 ( 0.609 12.307 -0.289) 12.325 6.336 ( 4.569 2.162 0.959) 5.145 6.428 ( -3.751 4.376 0.746) 5.812 6.457 ( 2.628 3.702 -1.883) 4.915 6.550 ( -5.016 2.496 -1.649) 5.840 6.829 ( 4.596 10.916 1.551) 11.945 6.882 ( -0.734 15.872 0.849) 15.911 6.926 ( 1.503 8.355 -0.464) 8.502 6.971 ( -1.100 7.272 -1.423) 7.491 7.038 ( 1.603 9.172 3.078) 9.807 7.088 ( -2.189 2.302 2.620) 4.118 7.172 ( 0.962 6.769 -1.581) 7.018 7.203 ( -1.838 2.318 -1.175) 3.183 8.654 ( 6.591 9.015 2.283) 11.399 8.740 ( -2.284 9.396 3.633) 10.330 8.802 ( 7.299 8.208 -2.770) 11.328 8.958 ( -6.696 7.340 -2.861) 10.339 9.133 ( 9.312 4.956 3.330) 11.062 9.340 ( -5.207 2.497 -4.197) 7.139 9.445 ( -1.375 1.388 1.631) 2.545 9.505 ( -3.135 0.956 -0.684) 3.348 10.506 ( 4.786 0.892 4.432) 6.584 10.604 ( -3.362 -1.594 2.663) 4.575 10.730 ( 4.668 0.294 -2.914) 5.511 10.780 ( 1.979 -4.315 -1.400) 4.949 10.886 ( 4.687 -0.763 1.112) 4.878 11.029 ( -6.856 -1.015 4.800) 8.431 11.312 ( 3.607 3.635 -7.559) 9.131 11.438 ( -6.615 -1.086 -8.083) 10.501 11.578 ( 6.484 7.048 4.303) 10.499 11.730 ( -5.129 2.084 1.766) 5.811 11.784 ( 7.423 8.483 -4.048) 11.977 11.959 ( -5.607 5.838 -5.821) 9.970 12.267 ( -4.624 5.536 9.226) 11.711 12.314 ( -6.682 3.919 4.650) 9.035 12.550 ( -0.628 -0.730 -2.225) 2.425 12.570 ( -3.439 1.130 -1.291) 3.843 13.182 ( 3.922 -3.520 4.125) 6.692 13.212 ( 2.878 -0.624 5.512) 6.249 13.381 ( 1.692 -3.143 -3.472) 4.979 13.447 ( -2.423 -7.788 -3.705) 8.959 13.814 ( 4.347 -3.250 4.975) 7.363 13.921 ( -4.846 3.685 1.683) 6.316 13.994 ( 7.875 -0.585 2.727) 8.355 14.126 ( -2.481 0.477 -0.351) 2.551 14.225 ( 0.544 -6.784 -1.708) 7.017 14.331 ( -5.459 -4.150 -4.199) 8.041 14.476 ( 2.860 -3.217 -1.603) 4.593 14.589 ( -6.651 -0.076 -4.976) 8.307 17.134 ( 4.045 0.417 -2.273) 4.658 17.190 ( -1.226 0.329 -4.868) 5.030 17.453 ( 2.183 -1.502 4.457) 5.186 17.501 ( -1.946 -1.209 3.926) 4.545 17.893 ( 0.170 -11.625 2.084) 11.811 17.903 ( -0.537 -11.943 1.911) 12.107 18.049 ( 1.916 -13.815 -1.481) 14.026 18.083 ( -1.416 -13.375 -2.417) 13.665 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( 0.000 11.570 0.357) 11.576 2.573 ( 0.000 4.872 -2.489) 5.471 2.629 ( 0.000 0.727 2.464) 2.569 2.738 ( 0.000 6.613 -1.969) 6.900 2.876 ( 0.000 4.683 0.931) 4.775 2.965 ( 0.000 0.486 -5.888) 5.908 3.143 ( 0.000 2.748 -0.484) 2.790 3.168 ( 0.000 -6.060 -2.664) 6.620 3.378 ( 0.000 5.123 8.194) 9.664 3.392 ( 0.000 10.497 0.368) 10.503 3.508 ( 0.000 6.877 2.653) 7.371 3.736 ( 0.000 4.854 -11.724) 12.689 3.824 ( 0.000 -5.266 10.016) 11.316 4.027 ( 0.000 -8.489 -1.795) 8.677 4.069 ( 0.000 -3.636 -0.980) 3.766 4.176 ( 0.000 -8.394 0.720) 8.425 4.343 ( 0.000 -2.336 -1.063) 2.567 4.352 ( 0.000 -2.834 -1.739) 3.325 4.616 ( 0.000 -1.018 5.053) 5.155 4.814 ( 0.000 -7.714 -1.904) 7.945 5.363 ( 0.000 14.029 3.277) 14.407 5.399 ( 0.000 10.749 1.314) 10.829 5.506 ( 0.000 8.104 -1.692) 8.279 5.558 ( 0.000 11.480 -3.998) 12.156 5.628 ( 0.000 2.994 2.671) 4.012 5.718 ( 0.000 6.748 -2.533) 7.208 5.770 ( 0.000 8.376 1.467) 8.503 5.817 ( 0.000 8.567 0.088) 8.567 6.257 ( 0.000 3.511 2.162) 4.124 6.431 ( 0.000 -0.628 -5.817) 5.851 6.684 ( 0.000 5.425 0.874) 5.495 6.698 ( 0.000 3.625 0.315) 3.639 6.846 ( 0.000 5.387 4.420) 6.968 6.866 ( 0.000 2.098 1.477) 2.566 7.008 ( 0.000 -0.148 2.285) 2.290 7.129 ( 0.000 -2.873 -3.439) 4.481 7.279 ( 0.000 12.702 -0.634) 12.718 7.306 ( 0.000 12.878 -1.766) 12.998 7.405 ( 0.000 11.616 0.284) 11.619 7.419 ( 0.000 9.663 -0.564) 9.679 8.683 ( 0.000 12.557 0.546) 12.568 8.778 ( 0.000 10.282 -4.673) 11.294 8.971 ( 0.000 8.150 3.468) 8.857 9.076 ( 0.000 5.973 6.893) 9.121 9.202 ( 0.000 4.460 -4.055) 6.027 9.320 ( 0.000 4.094 -3.443) 5.349 9.484 ( 0.000 -2.752 2.427) 3.669 9.595 ( 0.000 -4.358 -2.093) 4.834 10.514 ( 0.000 -4.741 -0.260) 4.748 10.550 ( 0.000 -3.003 -0.009) 3.004 10.551 ( 0.000 5.478 5.539) 7.791 10.717 ( 0.000 5.241 8.030) 9.589 10.821 ( 0.000 -8.628 -0.555) 8.646 11.091 ( 0.000 11.408 -11.760) 16.384 11.404 ( 0.000 5.128 0.995) 5.224 11.493 ( 0.000 -3.898 -3.288) 5.100 11.642 ( 0.000 12.127 1.010) 12.169 11.909 ( 0.000 -6.472 5.368) 8.409 11.917 ( 0.000 9.140 -9.459) 13.153 12.157 ( 0.000 -5.890 -5.360) 7.964 12.395 ( 0.000 -0.734 5.241) 5.292 12.517 ( 0.000 -4.625 8.021) 9.259 12.570 ( 0.000 1.086 4.999) 5.116 12.787 ( 0.000 -16.812 -0.592) 16.823 12.847 ( 0.000 -3.454 0.490) 3.489 13.044 ( 0.000 6.117 -1.679) 6.344 13.324 ( 0.000 -12.630 7.586) 14.733 13.492 ( 0.000 9.652 -0.503) 9.665 13.542 ( 0.000 1.834 -1.311) 2.255 13.656 ( 0.000 -3.203 -2.787) 4.246 13.808 ( 0.000 -11.219 0.879) 11.253 14.096 ( 0.000 -2.077 -9.201) 9.433 14.321 ( 0.000 4.974 2.724) 5.671 14.432 ( 0.000 1.870 -1.208) 2.226 14.687 ( 0.000 2.191 0.851) 2.350 14.788 ( 0.000 0.350 -3.312) 3.330 17.008 ( 0.000 2.545 1.195) 2.812 17.172 ( 0.000 -0.885 -5.994) 6.059 17.415 ( 0.000 -0.895 2.822) 2.960 17.534 ( 0.000 -1.637 0.987) 1.911 17.679 ( 0.000 -8.101 1.531) 8.245 17.694 ( 0.000 -7.658 1.480) 7.800 17.760 ( 0.000 -6.304 2.030) 6.623 17.910 ( 0.000 -7.558 -2.703) 8.027 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 3.162 10.030 -0.970) 10.562 2.578 ( 0.972 6.191 -2.569) 6.773 2.652 ( 1.710 0.547 1.869) 2.592 2.739 ( 0.002 5.612 -0.590) 5.642 2.851 ( -2.324 4.503 0.832) 5.135 2.954 ( -1.309 0.345 -3.947) 4.173 3.097 ( -1.215 -0.796 -0.699) 1.612 3.215 ( 1.823 -4.065 -5.123) 6.790 3.364 ( -0.740 7.062 6.847) 9.864 3.397 ( 0.345 8.616 1.746) 8.798 3.532 ( 0.672 6.913 1.560) 7.118 3.643 ( -4.157 5.794 -3.880) 8.118 3.862 ( -0.139 -3.155 4.673) 5.640 4.001 ( -1.681 -8.130 0.551) 8.320 4.036 ( -1.473 -0.892 -1.019) 2.001 4.130 ( -2.904 -7.479 1.551) 8.172 4.399 ( 4.081 -3.412 -1.119) 5.436 4.445 ( 5.719 -3.403 -3.951) 7.739 4.627 ( 1.586 -2.649 4.896) 5.788 4.819 ( 0.465 -7.668 -2.717) 8.149 5.356 ( -0.454 12.959 2.194) 13.151 5.398 ( -0.113 11.310 0.995) 11.354 5.438 ( -3.958 10.513 -1.614) 11.349 5.566 ( -1.226 10.581 -3.649) 11.259 5.659 ( 1.965 5.597 0.575) 5.960 5.726 ( 0.547 6.286 -0.938) 6.379 5.768 ( 0.937 8.205 2.408) 8.602 5.849 ( 1.994 6.063 0.437) 6.397 6.292 ( 3.561 3.524 1.818) 5.330 6.435 ( 0.797 0.262 -4.818) 4.890 6.643 ( -3.700 5.184 0.457) 6.385 6.677 ( -2.186 2.842 -0.608) 3.636 6.842 ( 0.308 4.671 3.801) 6.030 6.903 ( 2.380 1.943 0.810) 3.177 6.999 ( -0.496 -0.935 3.435) 3.595 7.112 ( -1.685 -2.801 -1.549) 3.617 7.286 ( 0.611 13.202 -1.561) 13.308 7.310 ( 0.242 12.950 -0.720) 12.972 7.398 ( -0.350 11.237 0.410) 11.250 7.418 ( -0.222 10.202 -1.472) 10.310 8.740 ( 4.901 11.612 0.484) 12.613 8.834 ( 4.793 8.844 -4.279) 10.931 8.963 ( -0.672 7.894 3.137) 8.521 9.122 ( 2.610 4.336 4.169) 6.558 9.191 ( 0.405 7.613 -1.851) 7.845 9.351 ( 2.815 4.213 -2.407) 5.610 9.505 ( 1.714 -1.213 1.463) 2.559 9.583 ( -1.575 -1.187 -1.631) 2.560 10.541 ( 0.319 1.766 2.404) 3.000 10.551 ( 0.295 -1.948 1.920) 2.751 10.567 ( 2.837 -1.596 3.581) 4.839 10.694 ( 0.311 -0.462 3.760) 3.801 10.871 ( 1.647 -3.703 -0.371) 4.070 11.031 ( -3.044 5.150 -6.800) 9.057 11.331 ( -6.253 -4.288 -3.898) 8.525 11.532 ( 1.139 4.609 -2.642) 5.433 11.659 ( -1.150 5.086 1.678) 5.477 11.770 ( -3.298 0.977 2.032) 3.995 11.972 ( 1.224 8.675 -4.430) 9.817 12.130 ( -2.582 -1.307 -6.049) 6.706 12.402 ( 1.412 -0.349 2.555) 2.940 12.485 ( -3.342 -2.792 6.957) 8.208 12.541 ( -4.006 1.660 2.717) 5.117 12.727 ( -7.495 -9.640 2.743) 12.515 12.902 ( 4.499 -5.188 0.737) 6.906 12.998 ( 1.435 -2.541 -0.566) 2.973 13.264 ( -3.568 -10.663 4.142) 11.983 13.457 ( -6.092 -3.150 -1.330) 6.986 13.623 ( 8.960 3.864 3.292) 10.298 13.801 ( 10.721 0.731 -2.051) 10.940 13.891 ( 6.951 -6.162 -0.683) 9.314 14.123 ( 1.329 1.507 -7.395) 7.663 14.301 ( -0.958 1.384 1.565) 2.298 14.377 ( -5.032 2.115 -0.688) 5.501 14.558 ( -10.129 1.925 1.819) 10.469 14.735 ( -5.691 -0.525 -4.717) 7.411 17.065 ( 4.692 2.485 0.228) 5.314 17.192 ( 1.541 -0.149 -5.491) 5.705 17.400 ( -0.916 -1.625 3.354) 3.838 17.508 ( -2.148 -2.692 1.089) 3.612 17.688 ( 0.707 -7.607 1.838) 7.858 17.724 ( 1.730 -5.317 3.025) 6.357 17.770 ( 1.428 -7.889 -0.116) 8.018 17.900 ( -0.889 -7.339 -2.604) 7.838 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( 2.227 6.450 -2.178) 7.163 2.625 ( 0.792 7.819 -3.513) 8.609 2.673 ( 1.894 4.573 0.110) 4.951 2.744 ( -1.704 5.851 -2.221) 6.486 2.807 ( 1.283 -0.090 4.049) 4.249 2.893 ( -4.524 -1.625 2.325) 5.340 3.132 ( 4.082 -1.652 -4.091) 6.011 3.212 ( -2.438 -4.445 -5.159) 7.234 3.366 ( 1.137 8.685 3.116) 9.297 3.394 ( -0.935 5.943 1.325) 6.161 3.528 ( 0.801 10.937 -1.054) 11.017 3.582 ( -3.273 6.728 -1.306) 7.594 3.867 ( 2.337 -3.197 6.093) 7.267 3.945 ( -3.947 -5.669 5.990) 9.143 4.037 ( 1.369 0.024 0.016) 1.369 4.077 ( -2.209 -4.115 1.338) 4.858 4.472 ( 2.557 -4.390 -0.796) 5.142 4.502 ( -0.105 -3.301 -1.396) 3.586 4.716 ( 5.964 -6.299 -1.472) 8.799 4.809 ( -2.225 -7.637 -3.901) 8.859 5.346 ( -0.169 12.258 1.193) 12.317 5.366 ( -2.187 12.476 -0.270) 12.669 5.425 ( 2.625 11.499 -1.903) 11.947 5.503 ( -4.140 11.329 -3.562) 12.577 5.694 ( 1.402 8.536 0.965) 8.704 5.719 ( -0.917 8.287 0.694) 8.366 5.823 ( 3.222 3.902 2.770) 5.769 5.868 ( -0.629 4.013 1.367) 4.286 6.400 ( 6.106 4.358 0.134) 7.503 6.475 ( 2.161 2.624 -3.216) 4.679 6.550 ( -3.978 3.824 0.080) 5.519 6.598 ( -4.967 1.847 -1.300) 5.456 6.871 ( 2.271 2.618 2.199) 4.105 6.917 ( -1.408 1.437 0.422) 2.055 7.014 ( 2.027 -1.789 3.780) 4.648 7.064 ( -2.602 -2.126 1.742) 3.784 7.301 ( 0.717 13.679 -0.728) 13.717 7.311 ( -0.186 13.377 0.143) 13.379 7.398 ( 0.377 10.808 -1.084) 10.869 7.409 ( -0.565 10.461 -2.203) 10.706 8.848 ( 4.512 8.884 0.894) 10.004 8.908 ( -0.588 6.822 0.537) 6.869 8.981 ( 4.504 7.251 -1.479) 8.663 9.085 ( -4.347 3.989 -2.286) 6.327 9.302 ( 7.829 10.320 1.981) 13.104 9.415 ( 0.852 5.084 -2.190) 5.601 9.506 ( -1.856 4.713 1.540) 5.294 9.535 ( -1.831 2.691 0.795) 3.350 10.539 ( 0.881 1.455 3.594) 3.976 10.559 ( -0.071 -1.464 2.599) 2.984 10.659 ( 4.696 -5.801 0.163) 7.466 10.722 ( -0.406 -2.294 0.859) 2.483 10.856 ( 1.516 -0.680 -0.369) 1.703 10.973 ( -6.167 -3.028 5.261) 8.653 11.261 ( 2.525 -8.033 -9.052) 12.363 11.397 ( -9.268 -4.229 -6.003) 11.824 11.701 ( 5.138 5.881 3.882) 8.721 11.792 ( -1.184 5.830 -0.117) 5.950 11.989 ( 3.477 10.051 -2.870) 11.016 12.091 ( -2.439 6.297 -6.598) 9.441 12.372 ( -4.380 4.326 6.505) 8.956 12.393 ( -4.627 2.796 3.594) 6.492 12.491 ( 1.368 -4.152 -2.057) 4.831 12.556 ( -5.300 -1.835 -0.648) 5.646 13.026 ( 6.373 -8.767 3.275) 11.323 13.102 ( 4.416 -8.133 5.281) 10.655 13.189 ( -1.779 -12.321 0.006) 12.448 13.308 ( -7.781 -8.847 -0.176) 11.783 13.829 ( 10.340 4.656 3.449) 11.853 13.998 ( 1.275 4.976 -2.438) 5.686 14.058 ( 6.908 1.630 0.874) 7.151 14.102 ( 4.177 0.790 0.183) 4.255 14.234 ( -8.136 3.459 0.013) 8.841 14.291 ( -7.389 0.641 -2.310) 7.769 14.401 ( 3.398 -4.131 -1.735) 5.623 14.568 ( -9.283 -2.129 -5.794) 11.148 17.164 ( 3.914 2.298 -2.071) 4.989 17.210 ( -0.439 1.553 -4.265) 4.560 17.403 ( 1.490 -3.399 3.799) 5.311 17.454 ( -2.863 -3.701 2.366) 5.244 17.707 ( 1.159 -5.995 2.279) 6.518 17.731 ( -0.790 -4.583 2.991) 5.530 17.823 ( 2.881 -8.326 -1.620) 8.958 17.873 ( -1.793 -7.449 -2.183) 7.966 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 0.000 1.055 1.348) 1.712 2.632 ( 0.000 0.179 1.917) 1.926 2.734 ( 0.000 11.003 -0.061) 11.003 2.880 ( 0.000 3.528 -5.255) 6.329 2.959 ( 0.000 -0.836 -4.673) 4.747 2.960 ( 0.000 5.050 -2.874) 5.811 2.989 ( 0.000 -8.633 0.844) 8.674 3.093 ( 0.000 -5.994 -2.210) 6.388 3.518 ( 0.000 7.644 8.332) 11.307 3.601 ( 0.000 7.592 4.224) 8.688 3.668 ( 0.000 3.498 2.358) 4.218 3.735 ( 0.000 2.526 4.800) 5.424 3.828 ( 0.000 -0.008 -6.089) 6.089 3.840 ( 0.000 -8.123 1.059) 8.191 3.993 ( 0.000 -6.837 -2.334) 7.224 3.995 ( 0.000 -3.446 -4.208) 5.439 4.311 ( 0.000 -0.760 -1.320) 1.523 4.314 ( 0.000 -1.001 -1.517) 1.818 4.607 ( 0.000 0.891 2.169) 2.345 4.671 ( 0.000 -5.426 -0.171) 5.429 5.527 ( 0.000 2.512 -0.338) 2.535 5.527 ( 0.000 2.767 -0.063) 2.768 5.627 ( 0.000 3.737 1.582) 4.058 5.651 ( 0.000 1.038 1.711) 2.001 5.744 ( 0.000 4.729 -1.001) 4.833 5.786 ( 0.000 0.388 -1.953) 1.991 5.892 ( 0.000 3.584 3.093) 4.734 5.913 ( 0.000 1.544 2.178) 2.670 6.359 ( 0.000 4.918 -1.144) 5.049 6.421 ( 0.000 -1.134 -4.394) 4.538 6.762 ( 0.000 1.947 -0.093) 1.949 6.763 ( 0.000 1.945 -0.541) 2.019 6.909 ( 0.000 2.026 2.728) 3.398 6.922 ( 0.000 1.552 4.345) 4.613 7.021 ( 0.000 1.164 0.891) 1.466 7.058 ( 0.000 -2.955 -2.135) 3.646 7.461 ( 0.000 4.857 -0.617) 4.896 7.475 ( 0.000 3.581 -0.030) 3.582 7.563 ( 0.000 4.033 -1.906) 4.461 7.568 ( 0.000 3.803 -0.953) 3.920 8.900 ( 0.000 7.822 0.052) 7.822 8.948 ( 0.000 4.349 -2.251) 4.897 9.096 ( 0.000 3.317 -0.070) 3.318 9.122 ( 0.000 -0.441 -0.111) 0.455 9.296 ( 0.000 3.803 0.784) 3.883 9.349 ( 0.000 -1.506 -1.128) 1.882 9.479 ( 0.000 2.194 0.909) 2.375 9.526 ( 0.000 -2.404 -0.978) 2.596 10.456 ( 0.000 -0.406 -1.154) 1.224 10.489 ( 0.000 -2.814 -1.818) 3.350 10.599 ( 0.000 1.140 2.119) 2.406 10.661 ( 0.000 -5.708 1.586) 5.924 10.938 ( 0.000 13.999 11.840) 18.335 11.197 ( 0.000 -7.963 3.693) 8.778 11.529 ( 0.000 7.395 1.307) 7.510 11.535 ( 0.000 13.930 -4.854) 14.751 11.709 ( 0.000 -8.552 0.048) 8.552 11.883 ( 0.000 -14.829 -11.162) 18.561 11.905 ( 0.000 10.300 -1.843) 10.463 12.069 ( 0.000 -2.891 -8.436) 8.917 12.328 ( 0.000 -1.253 6.347) 6.470 12.404 ( 0.000 -5.803 1.400) 5.970 12.563 ( 0.000 -0.642 3.687) 3.742 12.582 ( 0.000 -3.419 1.820) 3.873 12.885 ( 0.000 5.845 5.895) 8.301 13.057 ( 0.000 -10.499 7.715) 13.029 13.209 ( 0.000 8.678 -1.840) 8.871 13.429 ( 0.000 -12.205 -3.961) 12.831 13.597 ( 0.000 2.101 -1.195) 2.417 13.615 ( 0.000 0.604 -1.142) 1.292 13.827 ( 0.000 7.733 -0.114) 7.734 13.987 ( 0.000 -7.141 -5.347) 8.921 14.434 ( 0.000 4.157 0.496) 4.186 14.466 ( 0.000 0.738 -0.464) 0.872 14.724 ( 0.000 1.706 -0.105) 1.709 14.765 ( 0.000 -2.081 -1.751) 2.720 17.076 ( 0.000 3.636 0.568) 3.680 17.140 ( 0.000 -2.378 -1.886) 3.035 17.403 ( 0.000 0.213 0.167) 0.271 17.447 ( 0.000 -4.325 -1.261) 4.505 17.592 ( 0.000 -1.954 0.025) 1.954 17.592 ( 0.000 -2.283 0.788) 2.415 17.726 ( 0.000 1.942 2.928) 3.513 17.793 ( 0.000 -4.312 -0.234) 4.318 ======================= Grid point 111 (47/72) ======================= q-point: ( 0.20 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 1.522 1.676 1.403) 2.663 2.654 ( 1.954 -0.235 2.191) 2.945 2.751 ( 1.523 9.481 -1.178) 9.674 2.871 ( -0.921 3.924 -4.716) 6.203 2.917 ( -4.005 1.688 -1.939) 4.759 2.945 ( -0.784 1.260 -1.735) 2.283 3.013 ( 1.054 -5.310 -2.270) 5.870 3.066 ( -1.580 -8.201 -2.703) 8.778 3.518 ( 0.057 7.592 7.369) 10.581 3.589 ( -1.150 7.339 4.463) 8.667 3.662 ( -0.353 1.401 2.803) 3.153 3.735 ( -0.050 5.188 3.291) 6.144 3.812 ( -1.859 -6.120 0.824) 6.448 3.858 ( 2.297 -1.861 -3.549) 4.619 3.973 ( -1.254 -4.344 -1.331) 4.713 4.005 ( 0.708 -3.339 -4.073) 5.314 4.359 ( 3.820 -0.016 -1.016) 3.953 4.389 ( 6.057 -2.287 -2.368) 6.894 4.595 ( -1.184 0.582 2.084) 2.467 4.668 ( -0.405 -6.168 -0.872) 6.242 5.511 ( -0.701 3.373 -0.828) 3.544 5.527 ( 0.145 1.973 -1.203) 2.316 5.599 ( -2.160 5.274 0.146) 5.701 5.655 ( -0.500 -0.087 -0.688) 0.855 5.774 ( 2.118 4.096 0.697) 4.663 5.799 ( 1.660 1.390 0.712) 2.279 5.895 ( -0.055 3.719 2.941) 4.742 5.921 ( 0.321 1.180 2.177) 2.497 6.380 ( 2.548 4.128 -0.504) 4.877 6.434 ( 1.712 -0.987 -3.456) 3.981 6.724 ( -3.642 2.250 -1.032) 4.404 6.731 ( -3.341 1.585 -1.390) 3.950 6.918 ( 0.484 2.279 3.297) 4.037 6.934 ( 1.558 0.537 3.715) 4.064 7.006 ( -1.248 1.595 1.197) 2.353 7.050 ( -0.973 -2.701 -0.689) 2.953 7.472 ( 1.025 4.889 -1.118) 5.119 7.483 ( 0.738 3.899 -0.270) 3.977 7.554 ( -0.691 4.050 -0.845) 4.195 7.563 ( -0.561 3.392 -1.715) 3.842 8.933 ( 2.708 6.537 -0.166) 7.078 8.974 ( 2.278 3.386 -2.131) 4.604 9.074 ( -1.286 3.314 0.721) 3.627 9.133 ( -0.402 -2.158 -1.419) 2.614 9.351 ( 5.744 6.563 1.628) 8.872 9.424 ( 5.911 0.476 -1.553) 6.130 9.509 ( 2.968 2.345 1.218) 3.974 9.561 ( 2.735 -1.501 -1.094) 3.306 10.480 ( 2.183 -1.418 -0.341) 2.626 10.494 ( 0.482 -2.072 -0.676) 2.233 10.628 ( 2.432 0.580 2.114) 3.274 10.669 ( -0.456 -3.453 3.170) 4.710 10.887 ( -2.906 9.525 9.044) 13.453 11.113 ( -6.558 -8.383 1.859) 10.805 11.272 ( -12.974 8.824 -1.769) 15.790 11.504 ( -13.596 -10.897 -2.168) 17.558 11.738 ( 8.175 11.976 -1.681) 14.598 11.938 ( 2.348 9.731 -2.826) 10.401 12.006 ( 5.977 -11.218 -8.164) 15.107 12.084 ( 1.389 -1.229 -8.070) 8.281 12.345 ( 1.480 -0.585 4.732) 4.993 12.417 ( 1.275 -3.805 1.917) 4.447 12.552 ( -2.931 -1.663 2.919) 4.459 12.572 ( -0.043 -1.853 3.946) 4.359 12.874 ( 0.086 3.207 4.147) 5.243 13.015 ( -3.610 -8.072 4.956) 10.137 13.090 ( -7.375 5.467 0.713) 9.208 13.282 ( -9.228 -10.846 -1.292) 14.299 13.725 ( 9.336 4.084 0.269) 10.194 13.788 ( 11.185 -2.215 -1.596) 11.513 13.922 ( 8.473 6.608 -1.297) 10.823 14.059 ( 6.551 -5.886 -5.637) 10.457 14.370 ( -5.858 3.444 1.847) 7.042 14.408 ( -5.499 0.016 0.340) 5.510 14.614 ( -9.128 3.615 -0.587) 9.836 14.692 ( -6.973 -3.390 -3.221) 8.396 17.127 ( 4.269 3.160 0.185) 5.315 17.178 ( 3.152 -1.543 -1.675) 3.888 17.377 ( -2.133 0.059 0.355) 2.163 17.422 ( -2.251 -4.148 -1.019) 4.828 17.604 ( 1.643 -1.068 0.893) 2.154 17.630 ( 2.841 -3.455 0.030) 4.473 17.725 ( -0.307 1.780 2.622) 3.184 17.788 ( -0.656 -4.115 -0.237) 4.174 ======================= Grid point 112 (48/72) ======================= q-point: ( 0.40 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 3.102 2.924 1.252) 4.443 2.708 ( 2.702 1.068 1.856) 3.448 2.772 ( -0.760 2.650 1.217) 3.013 2.816 ( -4.720 -1.260 0.416) 4.903 2.857 ( 1.006 7.839 -3.996) 8.856 2.909 ( -2.690 5.092 -2.926) 6.460 3.030 ( 1.248 -7.238 -5.339) 9.080 3.052 ( -0.500 -8.730 -4.409) 9.793 3.527 ( 0.981 7.735 5.414) 9.492 3.558 ( -1.717 8.296 4.405) 9.549 3.662 ( 0.705 -2.148 3.298) 3.998 3.701 ( -2.695 -1.076 2.681) 3.951 3.825 ( 2.896 3.258 1.700) 4.679 3.883 ( -1.367 3.783 -0.052) 4.023 3.970 ( 1.765 -6.217 -0.705) 6.501 4.008 ( -0.915 -4.275 -2.412) 4.993 4.445 ( 3.915 2.437 -0.632) 4.654 4.493 ( 1.267 1.836 -2.479) 3.335 4.579 ( 1.574 -5.497 0.046) 5.718 4.641 ( -2.429 -7.840 -2.242) 8.508 5.512 ( 0.960 4.668 -1.455) 4.983 5.549 ( -2.292 5.764 -1.282) 6.334 5.550 ( 2.156 1.325 -3.076) 3.983 5.612 ( -3.163 0.078 -3.660) 4.838 5.826 ( 2.414 4.196 2.765) 5.575 5.841 ( 1.641 3.212 3.048) 4.723 5.884 ( -0.452 2.197 3.508) 4.164 5.909 ( -1.559 0.313 3.019) 3.413 6.477 ( 6.355 2.743 -0.543) 6.943 6.506 ( 5.012 0.079 -2.379) 5.548 6.618 ( -6.240 2.110 -1.312) 6.717 6.628 ( -5.979 0.854 -1.773) 6.294 6.937 ( 1.366 2.836 2.628) 4.100 6.965 ( -0.203 1.941 1.687) 2.579 6.982 ( 0.534 -0.657 2.718) 2.847 7.018 ( -1.867 -2.126 1.464) 3.185 7.497 ( 1.080 5.338 -1.083) 5.552 7.501 ( 0.731 5.016 -0.622) 5.107 7.540 ( -0.517 3.056 -0.678) 3.173 7.546 ( -0.919 2.712 -2.042) 3.517 8.991 ( 2.451 4.887 -0.207) 5.471 9.022 ( 0.728 3.765 -1.027) 3.970 9.055 ( 0.679 0.766 -0.336) 1.077 9.102 ( -2.327 -1.892 -1.564) 3.383 9.496 ( 6.471 7.473 0.874) 9.924 9.539 ( 3.419 5.214 -0.856) 6.294 9.581 ( 2.669 1.417 0.640) 3.089 9.601 ( 0.320 1.729 -0.355) 1.794 10.513 ( 2.052 -0.311 2.662) 3.375 10.550 ( 3.964 -3.547 2.724) 5.976 10.598 ( -4.344 1.213 4.190) 6.156 10.654 ( -2.285 -3.798 3.889) 5.897 10.880 ( 2.394 4.517 3.162) 6.012 11.018 ( -9.501 7.827 -1.081) 12.357 11.054 ( 2.961 -10.621 -2.745) 11.363 11.229 ( -11.686 -10.865 -3.259) 16.286 11.877 ( 5.300 11.080 -2.279) 12.492 11.954 ( -1.639 9.183 -4.101) 10.190 12.085 ( 2.778 -4.902 -5.783) 8.074 12.119 ( 0.446 -5.198 -7.664) 9.272 12.388 ( 2.638 2.840 2.768) 4.763 12.450 ( -0.714 3.650 1.193) 3.906 12.477 ( -0.762 0.093 5.048) 5.106 12.536 ( -3.247 -1.056 2.839) 4.440 12.923 ( 3.175 -1.521 1.728) 3.922 12.953 ( -0.535 -5.475 4.644) 7.200 12.982 ( -1.976 -3.639 1.909) 4.560 13.095 ( -8.328 -10.183 0.731) 13.175 13.938 ( 10.790 4.949 2.458) 12.122 14.019 ( 10.810 -2.961 1.261) 11.279 14.122 ( 3.471 6.053 -2.793) 7.516 14.172 ( 0.828 2.517 -1.030) 2.843 14.246 ( -8.443 -0.697 2.016) 8.708 14.287 ( 6.157 -4.476 -2.199) 7.924 14.394 ( -11.031 5.215 -2.742) 12.506 14.500 ( -10.626 -4.477 -5.030) 12.580 17.220 ( 3.900 2.915 -0.812) 4.936 17.246 ( 2.401 1.385 -1.883) 3.351 17.331 ( -1.490 -2.453 1.057) 3.059 17.362 ( -3.155 -4.338 -0.152) 5.366 17.652 ( 2.744 0.227 1.463) 3.118 17.699 ( 3.379 -4.094 -0.267) 5.315 17.704 ( -1.809 1.232 2.092) 3.027 17.759 ( -2.179 -4.006 -0.253) 4.567 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 0.000 0.000 -23.325) 23.325 1.188 ( 0.000 0.000 23.325) 23.325 1.250 ( 0.000 0.000 -23.950) 23.950 1.250 ( 0.000 0.000 23.950) 23.950 2.109 ( 0.000 0.000 -7.462) 7.462 2.109 ( 0.000 0.000 7.462) 7.462 2.194 ( 0.000 0.000 -6.125) 6.125 2.194 ( 0.000 0.000 6.125) 6.125 2.537 ( 0.000 0.000 -4.796) 4.796 2.537 ( 0.000 0.000 4.796) 4.796 2.572 ( 0.000 0.000 -1.817) 1.817 2.572 ( 0.000 0.000 1.817) 1.817 2.813 ( 0.000 0.000 -10.184) 10.184 2.813 ( 0.000 0.000 10.184) 10.184 2.914 ( 0.000 0.000 -5.602) 5.602 2.914 ( 0.000 0.000 5.602) 5.602 3.153 ( 0.000 0.000 -6.266) 6.266 3.153 ( 0.000 0.000 6.266) 6.266 3.523 ( 0.000 0.000 -0.283) 0.283 3.523 ( 0.000 0.000 0.283) 0.283 3.717 ( 0.000 0.000 -2.568) 2.568 3.717 ( 0.000 0.000 2.568) 2.568 4.106 ( 0.000 0.000 -7.844) 7.844 4.106 ( 0.000 0.000 7.844) 7.844 4.507 ( 0.000 0.000 -7.132) 7.132 4.507 ( 0.000 0.000 7.132) 7.132 4.915 ( 0.000 0.000 -5.460) 5.460 4.915 ( 0.000 0.000 5.460) 5.460 5.106 ( 0.000 0.000 -19.106) 19.106 5.106 ( 0.000 0.000 19.106) 19.106 5.666 ( 0.000 0.000 -16.622) 16.622 5.666 ( 0.000 0.000 16.622) 16.622 6.867 ( 0.000 0.000 -0.502) 0.502 6.867 ( 0.000 0.000 0.502) 0.502 7.187 ( 0.000 0.000 -3.796) 3.796 7.187 ( 0.000 0.000 3.796) 3.796 7.390 ( 0.000 0.000 -1.526) 1.526 7.390 ( 0.000 0.000 1.526) 1.526 8.081 ( 0.000 0.000 -5.278) 5.278 8.081 ( 0.000 0.000 5.278) 5.278 8.277 ( 0.000 0.000 -7.211) 7.211 8.277 ( 0.000 0.000 7.211) 7.211 8.437 ( 0.000 0.000 -5.915) 5.915 8.437 ( 0.000 0.000 5.915) 5.915 8.824 ( 0.000 0.000 -10.509) 10.509 8.824 ( 0.000 0.000 10.509) 10.509 9.241 ( 0.000 0.000 -3.660) 3.660 9.241 ( 0.000 0.000 3.660) 3.660 9.286 ( 0.000 0.000 -2.829) 2.829 9.286 ( 0.000 0.000 2.829) 2.829 9.926 ( 0.000 0.000 -2.593) 2.593 9.926 ( 0.000 0.000 2.593) 2.593 10.415 ( 0.000 0.000 -9.087) 9.087 10.415 ( 0.000 0.000 9.087) 9.087 10.747 ( 0.000 0.000 -1.064) 1.064 10.747 ( 0.000 0.000 1.064) 1.064 11.393 ( 0.000 0.000 -9.928) 9.928 11.393 ( 0.000 0.000 9.928) 9.928 11.398 ( 0.000 0.000 -0.541) 0.541 11.398 ( 0.000 0.000 0.541) 0.541 12.029 ( 0.000 0.000 -12.338) 12.338 12.029 ( 0.000 0.000 12.338) 12.338 12.313 ( 0.000 0.000 -1.059) 1.059 12.313 ( 0.000 0.000 1.059) 1.059 13.749 ( 0.000 0.000 -3.743) 3.743 13.749 ( 0.000 0.000 3.743) 3.743 13.935 ( 0.000 0.000 -14.168) 14.168 13.935 ( 0.000 0.000 14.168) 14.168 14.199 ( 0.000 0.000 -0.852) 0.852 14.199 ( 0.000 0.000 0.852) 0.852 14.258 ( 0.000 0.000 -0.786) 0.786 14.258 ( 0.000 0.000 0.786) 0.786 14.774 ( 0.000 0.000 -1.958) 1.958 14.774 ( 0.000 0.000 1.958) 1.958 15.017 ( 0.000 0.000 -5.393) 5.393 15.017 ( 0.000 0.000 5.393) 5.393 16.600 ( 0.000 0.000 -1.160) 1.160 16.600 ( 0.000 0.000 1.160) 1.160 17.367 ( 0.000 0.000 -4.968) 4.968 17.367 ( 0.000 0.000 4.968) 4.968 19.215 ( 0.000 0.000 -7.840) 7.840 19.215 ( 0.000 0.000 7.840) 7.840 19.976 ( 0.000 0.000 -2.496) 2.496 19.976 ( 0.000 0.000 2.496) 2.496 ======================= Grid point 152 (50/72) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 14.140 0.000 -17.937) 22.840 1.342 ( 14.140 0.000 17.937) 22.840 1.345 ( 8.561 0.000 -21.078) 22.750 1.345 ( 8.561 0.000 21.078) 22.750 2.090 ( -8.881 0.000 -6.716) 11.134 2.090 ( -8.881 0.000 6.716) 11.134 2.194 ( 6.022 0.000 -3.822) 7.132 2.194 ( 6.022 0.000 3.822) 7.132 2.549 ( -1.604 0.000 -11.587) 11.698 2.549 ( -1.604 0.000 11.587) 11.698 2.615 ( 3.106 0.000 -1.558) 3.475 2.615 ( 3.106 0.000 1.558) 3.475 2.833 ( -1.049 0.000 -9.304) 9.363 2.833 ( -1.049 0.000 9.304) 9.363 2.902 ( -1.027 0.000 -4.370) 4.489 2.902 ( -1.027 0.000 4.370) 4.489 3.116 ( 3.375 0.000 -12.682) 13.123 3.116 ( 3.375 0.000 12.682) 13.123 3.544 ( 1.887 0.000 -0.630) 1.990 3.544 ( 1.887 0.000 0.630) 1.990 3.702 ( -1.358 0.000 -2.398) 2.756 3.702 ( -1.358 0.000 2.398) 2.756 4.039 ( -5.965 0.000 -11.609) 13.052 4.039 ( -5.965 0.000 11.609) 13.052 4.525 ( -0.971 0.000 -12.892) 12.928 4.525 ( -0.971 0.000 12.892) 12.928 4.920 ( 0.046 0.000 -7.507) 7.507 4.920 ( 0.046 0.000 7.507) 7.507 5.174 ( 6.459 0.000 -8.068) 10.335 5.174 ( 6.459 0.000 8.068) 10.335 5.653 ( -1.809 0.000 -15.044) 15.152 5.653 ( -1.809 0.000 15.044) 15.152 6.913 ( 4.174 0.000 -0.671) 4.227 6.913 ( 4.174 0.000 0.671) 4.227 7.145 ( -2.427 0.000 -4.410) 5.034 7.145 ( -2.427 0.000 4.410) 5.034 7.375 ( -0.977 0.000 -3.020) 3.174 7.375 ( -0.977 0.000 3.020) 3.174 8.108 ( 0.439 0.000 -5.332) 5.350 8.108 ( 0.439 0.000 5.332) 5.350 8.258 ( -1.618 0.000 -5.469) 5.704 8.258 ( -1.618 0.000 5.469) 5.704 8.425 ( -0.881 0.000 -4.397) 4.484 8.425 ( -0.881 0.000 4.397) 4.484 8.815 ( 0.295 0.000 -2.969) 2.984 8.815 ( 0.295 0.000 2.969) 2.984 9.218 ( -5.197 0.000 -7.056) 8.763 9.218 ( -5.197 0.000 7.056) 8.763 9.323 ( 7.233 0.000 -3.675) 8.113 9.323 ( 7.233 0.000 3.675) 8.113 9.869 ( -5.237 0.000 -2.808) 5.942 9.869 ( -5.237 0.000 2.808) 5.942 10.607 ( 15.567 0.000 -6.372) 16.821 10.607 ( 15.567 0.000 6.372) 16.821 10.751 ( 0.322 0.000 -0.837) 0.897 10.751 ( 0.322 0.000 0.837) 0.897 11.367 ( -1.680 0.000 -7.181) 7.375 11.367 ( -1.680 0.000 7.181) 7.375 11.400 ( 0.169 0.000 -0.435) 0.467 11.400 ( 0.169 0.000 0.435) 0.467 12.112 ( 5.345 0.000 -9.023) 10.488 12.112 ( 5.345 0.000 9.023) 10.488 12.308 ( 0.191 0.000 -0.846) 0.868 12.308 ( 0.191 0.000 0.846) 0.868 13.628 ( -18.482 0.000 -3.534) 18.816 13.628 ( -18.482 0.000 3.534) 18.816 13.783 ( -3.640 0.000 -3.619) 5.133 13.783 ( -3.640 0.000 3.619) 5.133 14.201 ( 0.185 0.000 -0.745) 0.768 14.201 ( 0.185 0.000 0.745) 0.768 14.256 ( -0.192 0.000 -0.691) 0.718 14.256 ( -0.192 0.000 0.691) 0.718 14.753 ( -1.726 0.000 -1.879) 2.551 14.753 ( -1.726 0.000 1.879) 2.551 14.972 ( -1.940 0.000 -5.442) 5.777 14.972 ( -1.940 0.000 5.442) 5.777 16.805 ( 14.759 0.000 -4.703) 15.490 16.805 ( 14.759 0.000 4.703) 15.490 17.399 ( 2.431 0.000 -4.672) 5.266 17.399 ( 2.431 0.000 4.672) 5.266 19.228 ( 1.294 0.000 -7.467) 7.579 19.228 ( 1.294 0.000 7.467) 7.579 19.824 ( -12.038 0.000 -2.188) 12.236 19.824 ( -12.038 0.000 2.188) 12.236 ======================= Grid point 154 (51/72) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 12.091 0.000 -14.665) 19.006 1.573 ( 12.091 0.000 14.665) 19.006 1.719 ( 19.686 0.000 -9.588) 21.896 1.719 ( 19.686 0.000 9.588) 21.896 1.863 ( -11.924 0.000 -9.330) 15.140 1.863 ( -11.924 0.000 9.330) 15.140 2.155 ( -13.473 0.000 -10.819) 17.280 2.155 ( -13.473 0.000 10.819) 17.280 2.486 ( 0.773 0.000 -17.022) 17.039 2.486 ( 0.773 0.000 17.022) 17.039 2.670 ( 1.635 0.000 -0.692) 1.776 2.670 ( 1.635 0.000 0.692) 1.776 2.868 ( 3.249 0.000 -5.519) 6.404 2.868 ( 3.249 0.000 5.519) 6.404 2.880 ( -0.799 0.000 -1.602) 1.791 2.880 ( -0.799 0.000 1.602) 1.791 3.238 ( 3.883 0.000 -7.810) 8.722 3.238 ( 3.883 0.000 7.810) 8.722 3.592 ( 2.227 0.000 -1.039) 2.457 3.592 ( 2.227 0.000 1.039) 2.457 3.665 ( -1.915 0.000 -1.671) 2.542 3.665 ( -1.915 0.000 1.671) 2.542 3.919 ( -3.598 0.000 -5.918) 6.926 3.919 ( -3.598 0.000 5.918) 6.926 4.493 ( -0.645 0.000 -8.103) 8.129 4.493 ( -0.645 0.000 8.103) 8.129 4.863 ( -3.935 0.000 -4.275) 5.810 4.863 ( -3.935 0.000 4.275) 5.810 5.343 ( 7.273 0.000 -3.912) 8.259 5.343 ( 7.273 0.000 3.912) 8.259 5.581 ( -4.222 0.000 -8.521) 9.509 5.581 ( -4.222 0.000 8.521) 9.509 7.019 ( 5.108 0.000 -1.878) 5.443 7.019 ( 5.108 0.000 1.878) 5.443 7.104 ( -2.304 0.000 -1.789) 2.917 7.104 ( -2.304 0.000 1.789) 2.917 7.369 ( 0.432 0.000 -2.612) 2.647 7.369 ( 0.432 0.000 2.612) 2.647 8.065 ( -2.923 0.000 -3.459) 4.529 8.065 ( -2.923 0.000 3.459) 4.529 8.226 ( -1.007 0.000 -1.843) 2.100 8.226 ( -1.007 0.000 1.843) 2.100 8.411 ( -0.343 0.000 -1.426) 1.467 8.411 ( -0.343 0.000 1.426) 1.467 8.858 ( 2.728 0.000 -2.916) 3.993 8.858 ( 2.728 0.000 2.916) 3.993 9.116 ( -3.662 0.000 -5.275) 6.422 9.116 ( -3.662 0.000 5.275) 6.422 9.508 ( 9.616 0.000 -3.473) 10.224 9.508 ( 9.616 0.000 3.473) 10.224 9.720 ( -8.565 0.000 -3.141) 9.123 9.720 ( -8.565 0.000 3.141) 9.123 10.757 ( 0.188 0.000 -0.307) 0.360 10.757 ( 0.188 0.000 0.307) 0.360 10.920 ( 10.469 0.000 -0.244) 10.471 10.920 ( 10.469 0.000 0.244) 10.471 11.351 ( 0.343 0.000 -4.327) 4.340 11.351 ( 0.343 0.000 4.327) 4.340 11.403 ( 0.103 0.000 -0.164) 0.194 11.403 ( 0.103 0.000 0.164) 0.194 12.105 ( -4.328 0.000 -5.473) 6.978 12.105 ( -4.328 0.000 5.473) 6.978 12.390 ( 5.459 0.000 -6.221) 8.277 12.390 ( 5.459 0.000 6.221) 8.277 13.231 ( -13.113 0.000 -1.401) 13.187 13.231 ( -13.113 0.000 1.401) 13.187 13.757 ( -0.356 0.000 -1.210) 1.261 13.757 ( -0.356 0.000 1.210) 1.261 14.205 ( 0.134 0.000 -0.333) 0.359 14.205 ( 0.134 0.000 0.333) 0.359 14.252 ( -0.138 0.000 -0.312) 0.342 14.252 ( -0.138 0.000 0.312) 0.342 14.723 ( -0.777 0.000 -0.637) 1.005 14.723 ( -0.777 0.000 0.637) 1.005 14.956 ( -0.058 0.000 -1.946) 1.947 14.956 ( -0.058 0.000 1.946) 1.947 17.056 ( 7.158 0.000 -3.264) 7.867 17.056 ( 7.158 0.000 3.264) 7.867 17.436 ( 0.750 0.000 -2.515) 2.624 17.436 ( 0.750 0.000 2.515) 2.624 19.268 ( 2.040 0.000 -4.602) 5.034 19.268 ( 2.040 0.000 4.602) 5.034 19.593 ( -7.594 0.000 -3.662) 8.430 19.593 ( -7.594 0.000 3.662) 8.430 ======================= Grid point 160 (52/72) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 0.000 9.275 -20.378) 22.389 1.286 ( 0.000 9.275 20.378) 22.389 1.482 ( 0.000 17.488 -20.166) 26.693 1.482 ( 0.000 17.488 20.166) 26.693 2.235 ( 0.000 11.138 -10.016) 14.979 2.235 ( 0.000 11.138 10.016) 14.979 2.325 ( 0.000 11.490 -0.585) 11.505 2.325 ( 0.000 11.490 0.585) 11.505 2.675 ( 0.000 15.477 -15.576) 21.958 2.675 ( 0.000 15.477 15.576) 21.958 2.717 ( 0.000 10.473 -2.644) 10.801 2.717 ( 0.000 10.473 2.644) 10.801 2.827 ( 0.000 4.714 -9.453) 10.563 2.827 ( 0.000 4.714 9.453) 10.563 3.120 ( 0.000 12.216 -3.250) 12.641 3.120 ( 0.000 12.216 3.250) 12.641 3.162 ( 0.000 9.112 -7.867) 12.038 3.162 ( 0.000 9.112 7.867) 12.038 3.781 ( 0.000 22.420 -0.168) 22.420 3.781 ( 0.000 22.420 0.168) 22.420 3.943 ( 0.000 16.521 -3.692) 16.928 3.943 ( 0.000 16.521 3.692) 16.928 4.134 ( 0.000 6.715 -7.034) 9.724 4.134 ( 0.000 6.715 7.034) 9.724 4.509 ( 0.000 0.437 -7.358) 7.371 4.509 ( 0.000 0.437 7.358) 7.371 4.899 ( 0.000 -1.127 -5.713) 5.823 4.899 ( 0.000 -1.127 5.713) 5.823 5.088 ( 0.000 -1.686 -19.030) 19.104 5.088 ( 0.000 -1.686 19.030) 19.104 5.648 ( 0.000 -1.132 -15.218) 15.260 5.648 ( 0.000 -1.132 15.218) 15.260 6.868 ( 0.000 0.127 -0.583) 0.597 6.868 ( 0.000 0.127 0.583) 0.597 7.049 ( 0.000 -10.014 -7.519) 12.522 7.049 ( 0.000 -10.014 7.519) 12.522 7.325 ( 0.000 -5.536 -0.996) 5.625 7.325 ( 0.000 -5.536 0.996) 5.625 7.862 ( 0.000 -13.701 -5.037) 14.598 7.862 ( 0.000 -13.701 5.037) 14.598 8.471 ( 0.000 12.912 -0.238) 12.914 8.471 ( 0.000 12.912 0.238) 12.914 8.622 ( 0.000 5.094 -5.059) 7.179 8.622 ( 0.000 5.094 5.059) 7.179 8.851 ( 0.000 8.993 -8.859) 12.624 8.851 ( 0.000 8.993 8.859) 12.624 9.223 ( 0.000 -4.668 -1.760) 4.988 9.223 ( 0.000 -4.668 1.760) 4.988 9.493 ( 0.000 21.351 -3.526) 21.640 9.493 ( 0.000 21.351 3.526) 21.640 10.059 ( 0.000 12.260 -1.916) 12.409 10.059 ( 0.000 12.260 1.916) 12.409 10.412 ( 0.000 0.814 -11.443) 11.471 10.412 ( 0.000 0.814 11.443) 11.471 10.805 ( 0.000 4.514 -1.227) 4.678 10.805 ( 0.000 4.514 1.227) 4.678 11.306 ( 0.000 -4.930 -0.136) 4.932 11.306 ( 0.000 -4.930 0.136) 4.932 11.471 ( 0.000 4.936 -4.931) 6.977 11.471 ( 0.000 4.936 4.931) 6.977 12.019 ( 0.000 -0.951 -11.986) 12.023 12.019 ( 0.000 -0.951 11.986) 12.023 12.456 ( 0.000 11.052 -4.647) 11.989 12.456 ( 0.000 11.052 4.647) 11.989 13.641 ( 0.000 -17.056 -2.895) 17.300 13.641 ( 0.000 -17.056 2.895) 17.300 13.823 ( 0.000 -2.834 -9.030) 9.464 13.823 ( 0.000 -2.834 9.030) 9.464 14.110 ( 0.000 -6.984 -1.581) 7.160 14.110 ( 0.000 -6.984 1.581) 7.160 14.242 ( 0.000 2.326 -4.577) 5.135 14.242 ( 0.000 2.326 4.577) 5.135 14.810 ( 0.000 1.097 -1.673) 2.000 14.810 ( 0.000 1.097 1.673) 2.000 14.954 ( 0.000 -6.309 -5.021) 8.063 14.954 ( 0.000 -6.309 5.021) 8.063 16.793 ( 0.000 14.304 -3.419) 14.707 16.793 ( 0.000 14.304 3.419) 14.707 17.368 ( 0.000 0.290 -3.614) 3.626 17.368 ( 0.000 0.290 3.614) 3.626 19.129 ( 0.000 -8.179 -7.266) 10.940 19.129 ( 0.000 -8.179 7.266) 10.940 19.778 ( 0.000 -17.488 -1.597) 17.561 19.778 ( 0.000 -17.488 1.597) 17.561 ======================= Grid point 162 (53/72) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 10.488 7.667 -16.915) 21.328 1.395 ( 10.488 7.667 16.915) 21.328 1.584 ( 9.161 16.165 -18.664) 26.336 1.584 ( 9.161 16.165 18.664) 26.336 2.198 ( -5.430 8.714 -7.779) 12.881 2.198 ( -5.430 8.714 7.779) 12.881 2.347 ( 1.316 14.140 -5.404) 15.194 2.347 ( 1.316 14.140 5.404) 15.194 2.579 ( -3.516 7.330 -14.163) 16.331 2.579 ( -3.516 7.330 14.163) 16.331 2.830 ( -0.028 11.823 -3.973) 12.473 2.830 ( -0.028 11.823 3.973) 12.473 2.869 ( 4.791 11.410 -3.282) 12.803 2.869 ( 4.791 11.410 3.282) 12.803 3.073 ( -1.193 7.368 -6.140) 9.665 3.073 ( -1.193 7.368 6.140) 9.665 3.179 ( 4.255 13.533 -7.580) 16.085 3.179 ( 4.255 13.533 7.580) 16.085 3.785 ( 0.348 20.354 -0.516) 20.363 3.785 ( 0.348 20.354 0.516) 20.363 3.936 ( -0.800 19.325 -3.499) 19.656 3.936 ( -0.800 19.325 3.499) 19.656 4.056 ( -5.819 4.355 -9.960) 12.330 4.056 ( -5.819 4.355 9.960) 12.330 4.527 ( -1.064 1.480 -10.853) 11.005 4.527 ( -1.064 1.480 10.853) 11.005 4.904 ( 0.446 -1.447 -7.236) 7.393 4.904 ( 0.446 -1.447 7.236) 7.393 5.155 ( 5.934 -1.669 -8.307) 10.345 5.155 ( 5.934 -1.669 8.307) 10.345 5.621 ( -2.847 -2.389 -13.342) 13.850 5.621 ( -2.847 -2.389 13.342) 13.850 6.902 ( 3.159 -1.035 -0.529) 3.366 6.902 ( 3.159 -1.035 0.529) 3.366 7.033 ( -0.706 -8.437 -5.360) 10.021 7.033 ( -0.706 -8.437 5.360) 10.021 7.315 ( -0.613 -5.021 -1.402) 5.248 7.315 ( -0.613 -5.021 1.402) 5.248 7.898 ( 1.971 -13.204 -5.795) 14.554 7.898 ( 1.971 -13.204 5.795) 14.554 8.465 ( -0.144 14.225 -1.435) 14.298 8.465 ( -0.144 14.225 1.435) 14.298 8.656 ( 1.338 11.091 -2.872) 11.535 8.656 ( 1.338 11.091 2.872) 11.535 8.799 ( -2.603 3.063 -3.398) 5.264 8.799 ( -2.603 3.063 3.398) 5.264 9.175 ( -4.172 -2.968 -7.673) 9.224 9.175 ( -4.172 -2.968 7.673) 9.224 9.541 ( 4.667 19.249 -3.546) 20.121 9.541 ( 4.667 19.249 3.546) 20.121 10.001 ( -5.266 11.946 -2.038) 13.213 10.001 ( -5.266 11.946 2.038) 13.213 10.564 ( 11.725 -1.922 -8.366) 14.531 10.564 ( 11.725 -1.922 8.366) 14.531 10.823 ( 2.016 5.429 -1.235) 5.921 10.823 ( 2.016 5.429 1.235) 5.921 11.292 ( -0.219 -4.573 -0.623) 4.620 11.292 ( -0.219 -4.573 0.623) 4.620 11.469 ( -0.047 4.925 -3.770) 6.203 11.469 ( -0.047 4.925 3.770) 6.203 12.114 ( 7.075 -0.494 -9.245) 11.652 12.114 ( 7.075 -0.494 9.245) 11.652 12.404 ( -4.554 7.863 -2.629) 9.460 12.404 ( -4.554 7.863 2.629) 9.460 13.535 ( -12.174 -11.638 -2.409) 17.013 13.535 ( -12.174 -11.638 2.409) 17.013 13.722 ( -7.001 -3.427 -7.832) 11.049 13.722 ( -7.001 -3.427 7.832) 11.049 14.082 ( 0.420 -8.020 -1.679) 8.204 14.082 ( 0.420 -8.020 1.679) 8.204 14.236 ( -0.999 1.200 -2.485) 2.935 14.236 ( -0.999 1.200 2.485) 2.935 14.761 ( -1.820 -1.259 -2.477) 3.322 14.761 ( -1.820 -1.259 2.477) 3.322 14.988 ( 1.281 -0.517 -4.336) 4.551 14.988 ( 1.281 -0.517 4.336) 4.551 16.923 ( 9.855 9.115 -5.074) 14.351 16.923 ( 9.855 9.115 5.074) 14.351 17.404 ( 2.742 0.574 -3.596) 4.558 17.404 ( 2.742 0.574 3.596) 4.558 19.139 ( 0.958 -8.473 -6.874) 10.953 19.139 ( 0.958 -8.473 6.874) 10.953 19.661 ( -9.478 -14.782 -3.821) 17.971 19.661 ( -9.478 -14.782 3.821) 17.971 ======================= Grid point 164 (54/72) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 14.041 7.301 -7.648) 17.577 1.677 ( 14.041 7.301 7.648) 17.577 1.826 ( 11.334 9.450 -11.626) 18.786 1.826 ( 11.334 9.450 11.626) 18.786 2.029 ( -7.572 13.394 -4.988) 16.175 2.029 ( -7.572 13.394 4.988) 16.175 2.220 ( -13.475 6.396 -8.331) 17.084 2.220 ( -13.475 6.396 8.331) 17.084 2.570 ( 1.881 11.623 -11.015) 16.124 2.570 ( 1.881 11.623 11.015) 16.124 2.786 ( -1.029 10.423 -1.689) 10.609 2.786 ( -1.029 10.423 1.689) 10.609 2.988 ( 5.319 12.204 -2.125) 13.481 2.988 ( 5.319 12.204 2.125) 13.481 3.065 ( -1.212 12.988 -2.800) 13.342 3.065 ( -1.212 12.988 2.800) 13.342 3.301 ( 3.866 8.898 -6.516) 11.687 3.301 ( 3.866 8.898 6.516) 11.687 3.792 ( 0.396 12.714 -1.088) 12.767 3.792 ( 0.396 12.714 1.088) 12.767 3.914 ( -0.841 22.741 -1.912) 22.837 3.914 ( -0.841 22.741 1.912) 22.837 3.961 ( -2.276 9.308 -4.631) 10.642 3.961 ( -2.276 9.308 4.631) 10.642 4.488 ( -1.112 0.830 -6.940) 7.078 4.488 ( -1.112 0.830 6.940) 7.078 4.859 ( -3.457 -0.154 -4.364) 5.570 4.859 ( -3.457 -0.154 4.364) 5.570 5.313 ( 7.177 -2.635 -2.935) 8.189 5.313 ( 7.177 -2.635 2.935) 8.189 5.533 ( -4.742 -3.860 -7.205) 9.450 5.533 ( -4.742 -3.860 7.205) 9.450 6.981 ( 3.498 -3.576 -1.953) 5.370 6.981 ( 3.498 -3.576 1.953) 5.370 7.025 ( -0.625 -6.388 -2.151) 6.770 7.025 ( -0.625 -6.388 2.151) 6.770 7.312 ( 0.331 -4.232 -1.513) 4.507 7.312 ( 0.331 -4.232 1.513) 4.507 7.907 ( -0.681 -10.665 -3.377) 11.208 7.907 ( -0.681 -10.665 3.377) 11.208 8.480 ( 1.476 18.627 -1.187) 18.723 8.480 ( 1.476 18.627 1.187) 18.723 8.596 ( -4.230 11.290 -0.471) 12.066 8.596 ( -4.230 11.290 0.471) 12.066 8.843 ( 4.050 1.102 -4.093) 5.863 8.843 ( 4.050 1.102 4.093) 5.863 9.080 ( -3.901 -2.648 -6.077) 7.691 9.080 ( -3.901 -2.648 6.077) 7.691 9.674 ( 7.435 15.080 -2.957) 17.071 9.674 ( 7.435 15.080 2.957) 17.071 9.858 ( -7.683 12.592 -2.224) 14.918 9.858 ( -7.683 12.592 2.224) 14.918 10.738 ( 3.183 -1.145 -2.492) 4.201 10.738 ( 3.183 -1.145 2.492) 4.201 10.899 ( 3.555 -1.335 -1.279) 4.007 10.899 ( 3.555 -1.335 1.279) 4.007 11.361 ( 6.959 1.401 -3.845) 8.073 11.361 ( 6.959 1.401 3.845) 8.073 11.460 ( -1.465 4.790 -6.652) 8.327 11.460 ( -1.465 4.790 6.652) 8.327 12.129 ( -6.262 1.541 -5.091) 8.216 12.129 ( -6.262 1.541 5.091) 8.216 12.396 ( 4.575 0.544 -5.184) 6.936 12.396 ( 4.575 0.544 5.184) 6.936 13.224 ( -11.436 -0.743 -0.856) 11.492 13.224 ( -11.436 -0.743 0.856) 11.492 13.637 ( -1.769 -10.882 -1.947) 11.196 13.637 ( -1.769 -10.882 1.947) 11.196 14.131 ( 3.304 -5.728 -3.276) 7.379 14.131 ( 3.304 -5.728 3.276) 7.379 14.197 ( -2.676 -1.885 -3.524) 4.810 14.197 ( -2.676 -1.885 3.524) 4.810 14.752 ( 0.269 0.777 -1.240) 1.488 14.752 ( 0.269 0.777 1.240) 1.488 14.997 ( -0.062 1.405 -1.891) 2.357 14.997 ( -0.062 1.405 1.891) 2.357 17.100 ( 5.309 3.611 -2.747) 6.983 17.100 ( 5.309 3.611 2.747) 6.983 17.449 ( 1.093 1.159 -1.976) 2.538 17.449 ( 1.093 1.159 1.976) 2.538 19.167 ( 1.385 -9.477 -4.007) 10.382 19.167 ( 1.385 -9.477 4.007) 10.382 19.477 ( -6.026 -10.876 -3.438) 12.901 19.477 ( -6.026 -10.876 3.438) 12.901 ======================= Grid point 170 (55/72) ======================= q-point: ( 0.00 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 0.000 13.030 -12.223) 17.866 1.525 ( 0.000 13.030 12.223) 17.866 1.844 ( 0.000 17.802 -10.825) 20.835 1.844 ( 0.000 17.802 10.825) 20.835 2.399 ( 0.000 6.817 -12.987) 14.668 2.399 ( 0.000 6.817 12.987) 14.668 2.671 ( 0.000 12.447 -3.841) 13.027 2.671 ( 0.000 12.447 3.841) 13.027 2.842 ( 0.000 4.791 -6.349) 7.954 2.842 ( 0.000 4.791 6.349) 7.954 3.027 ( 0.000 20.350 -18.695) 27.634 3.027 ( 0.000 20.350 18.695) 27.634 3.179 ( 0.000 25.797 -3.010) 25.972 3.179 ( 0.000 25.797 3.010) 25.972 3.398 ( 0.000 22.331 -2.700) 22.494 3.398 ( 0.000 22.331 2.700) 22.494 3.619 ( 0.000 26.523 -5.608) 27.109 3.619 ( 0.000 26.523 5.608) 27.109 4.059 ( 0.000 3.203 -10.573) 11.047 4.059 ( 0.000 3.203 10.573) 11.047 4.288 ( 0.000 17.412 -2.316) 17.565 4.288 ( 0.000 17.412 2.316) 17.565 4.563 ( 0.000 6.222 -7.151) 9.479 4.563 ( 0.000 6.222 7.151) 9.479 4.604 ( 0.000 30.180 -6.076) 30.786 4.604 ( 0.000 30.180 6.076) 30.786 4.932 ( 0.000 8.254 -6.203) 10.325 4.932 ( 0.000 8.254 6.203) 10.325 5.059 ( 0.000 1.382 -14.928) 14.991 5.059 ( 0.000 1.382 14.928) 14.991 5.644 ( 0.000 1.174 -11.496) 11.556 5.644 ( 0.000 1.174 11.496) 11.556 6.827 ( 0.000 -7.380 -6.350) 9.736 6.827 ( 0.000 -7.380 6.350) 9.736 6.901 ( 0.000 -0.896 -1.888) 2.090 6.901 ( 0.000 -0.896 1.888) 2.090 7.188 ( 0.000 -7.495 -0.854) 7.544 7.188 ( 0.000 -7.495 0.854) 7.544 7.600 ( 0.000 -11.615 -4.057) 12.303 7.600 ( 0.000 -11.615 4.057) 12.303 8.533 ( 0.000 -6.752 -8.982) 11.237 8.533 ( 0.000 -6.752 8.982) 11.237 8.694 ( 0.000 5.972 -1.975) 6.290 8.694 ( 0.000 5.972 1.975) 6.290 9.090 ( 0.000 -1.951 -4.350) 4.768 9.090 ( 0.000 -1.951 4.350) 4.768 9.224 ( 0.000 16.183 -6.959) 17.616 9.224 ( 0.000 16.183 6.959) 17.616 10.016 ( 0.000 27.308 -3.085) 27.482 10.016 ( 0.000 27.308 3.085) 27.482 10.348 ( 0.000 12.722 -0.102) 12.723 10.348 ( 0.000 12.722 0.102) 12.723 10.489 ( 0.000 7.406 -13.120) 15.066 10.489 ( 0.000 7.406 13.120) 15.066 10.905 ( 0.000 5.612 -1.222) 5.744 10.905 ( 0.000 5.612 1.222) 5.744 11.221 ( 0.000 -3.019 -1.661) 3.446 11.221 ( 0.000 -3.019 1.661) 3.446 11.611 ( 0.000 8.438 -0.572) 8.458 11.611 ( 0.000 8.438 0.572) 8.458 11.995 ( 0.000 -0.721 -10.370) 10.395 11.995 ( 0.000 -0.721 10.370) 10.395 12.660 ( 0.000 7.806 -6.164) 9.946 12.660 ( 0.000 7.806 6.164) 9.946 13.235 ( 0.000 -17.181 -2.619) 17.379 13.235 ( 0.000 -17.181 2.619) 17.379 13.810 ( 0.000 -0.902 -7.011) 7.069 13.810 ( 0.000 -0.902 7.011) 7.069 14.006 ( 0.000 -3.822 -3.156) 4.957 14.006 ( 0.000 -3.822 3.156) 4.957 14.292 ( 0.000 2.247 -8.209) 8.511 14.292 ( 0.000 2.247 8.209) 8.511 14.764 ( 0.000 -10.802 -4.129) 11.565 14.764 ( 0.000 -10.802 4.129) 11.565 14.789 ( 0.000 -3.903 -1.142) 4.067 14.789 ( 0.000 -3.903 1.142) 4.067 17.026 ( 0.000 6.868 -4.632) 8.284 17.026 ( 0.000 6.868 4.632) 8.284 17.390 ( 0.000 2.039 -0.063) 2.040 17.390 ( 0.000 2.039 0.063) 2.040 18.894 ( 0.000 -14.345 -5.687) 15.431 18.894 ( 0.000 -14.345 5.687) 15.431 19.344 ( 0.000 -23.395 -5.166) 23.959 19.344 ( 0.000 -23.395 5.166) 23.959 ======================= Grid point 172 (56/72) ======================= q-point: ( 0.20 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 8.018 11.945 -11.283) 18.283 1.606 ( 8.018 11.945 11.283) 18.283 1.906 ( 5.567 15.462 -13.851) 21.492 1.906 ( 5.567 15.462 13.851) 21.492 2.374 ( -2.919 8.038 -9.617) 12.869 2.374 ( -2.919 8.038 9.617) 12.869 2.604 ( -7.609 7.451 -5.306) 11.898 2.604 ( -7.609 7.451 5.306) 11.898 2.866 ( 3.895 14.304 -7.842) 16.771 2.866 ( 3.895 14.304 7.842) 16.771 3.074 ( 3.360 17.741 -10.648) 20.962 3.074 ( 3.360 17.741 10.648) 20.962 3.215 ( 0.769 20.449 -5.995) 21.324 3.215 ( 0.769 20.449 5.995) 21.324 3.363 ( -0.345 23.100 -2.042) 23.193 3.363 ( -0.345 23.100 2.042) 23.193 3.629 ( 1.311 25.978 -3.238) 26.212 3.629 ( 1.311 25.978 3.238) 26.212 4.019 ( -5.026 4.495 -9.270) 11.463 4.019 ( -5.026 4.495 9.270) 11.463 4.249 ( -1.107 10.119 -5.204) 11.433 4.249 ( -1.107 10.119 5.204) 11.433 4.491 ( -0.830 26.526 -3.838) 26.816 4.491 ( -0.830 26.526 3.838) 26.816 4.749 ( 3.241 23.587 -4.430) 24.217 4.749 ( 3.241 23.587 4.430) 24.217 4.896 ( -0.115 4.372 -6.159) 7.554 4.896 ( -0.115 4.372 6.159) 7.554 5.121 ( 4.570 -0.382 -7.009) 8.375 5.121 ( 4.570 -0.382 7.009) 8.375 5.588 ( -5.015 -0.032 -9.038) 10.336 5.588 ( -5.015 -0.032 9.038) 10.336 6.837 ( 1.429 -7.668 -4.097) 8.810 6.837 ( 1.429 -7.668 4.097) 8.810 6.897 ( -0.397 -2.194 -1.644) 2.770 6.897 ( -0.397 -2.194 1.644) 2.770 7.202 ( 1.338 -5.437 -0.363) 5.611 7.202 ( 1.338 -5.437 0.363) 5.611 7.638 ( 2.693 -12.093 -5.166) 13.423 7.638 ( 2.693 -12.093 5.166) 13.423 8.587 ( 3.235 -3.779 -5.596) 7.487 8.587 ( 3.235 -3.779 5.596) 7.487 8.707 ( 2.525 1.786 -2.818) 4.184 8.707 ( 2.525 1.786 2.818) 4.184 9.027 ( -4.118 6.469 -1.927) 7.907 9.027 ( -4.118 6.469 1.927) 7.907 9.215 ( -2.265 11.559 -7.643) 14.042 9.215 ( -2.265 11.559 7.643) 14.042 10.022 ( 0.952 25.533 -2.616) 25.685 10.022 ( 0.952 25.533 2.616) 25.685 10.271 ( -4.723 11.519 -1.127) 12.501 10.271 ( -4.723 11.519 1.127) 12.501 10.610 ( 7.919 8.015 -9.017) 14.431 10.610 ( 7.919 8.015 9.017) 14.431 10.942 ( 2.049 5.906 -4.136) 7.496 10.942 ( 2.049 5.906 4.136) 7.496 11.215 ( 2.154 -2.430 -2.163) 3.901 11.215 ( 2.154 -2.430 2.163) 3.901 11.598 ( -0.993 7.448 -3.427) 8.258 11.598 ( -0.993 7.448 3.427) 8.258 12.088 ( 7.229 -1.459 -8.094) 10.950 12.088 ( 7.229 -1.459 8.094) 10.950 12.556 ( -9.176 6.048 -4.065) 11.718 12.556 ( -9.176 6.048 4.065) 11.718 13.228 ( -0.929 -13.984 -3.221) 14.380 13.228 ( -0.929 -13.984 3.221) 14.380 13.676 ( -12.346 -1.952 -9.335) 15.601 13.676 ( -12.346 -1.952 9.335) 15.601 13.989 ( 0.321 -1.975 -7.690) 7.946 13.989 ( 0.321 -1.975 7.690) 7.946 14.279 ( -2.227 2.648 -5.372) 6.390 14.279 ( -2.227 2.648 5.372) 6.390 14.665 ( -0.893 -8.222 -2.279) 8.578 14.665 ( -0.893 -8.222 2.279) 8.578 14.914 ( 3.979 -6.321 -2.732) 7.952 14.914 ( 3.979 -6.321 2.732) 7.952 17.078 ( 4.329 4.756 -3.891) 7.516 17.078 ( 4.329 4.756 3.891) 7.516 17.429 ( 2.959 1.860 -2.162) 4.110 17.429 ( 2.959 1.860 2.162) 4.110 18.896 ( 0.224 -14.705 -5.254) 15.617 18.896 ( 0.224 -14.705 5.254) 15.617 19.279 ( -5.286 -21.212 -5.025) 22.430 19.279 ( -5.286 -21.212 5.025) 22.430 ======================= Grid point 174 (57/72) ======================= q-point: ( 0.40 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 13.315 8.926 -5.253) 16.868 1.844 ( 13.315 8.926 5.253) 16.868 2.021 ( 1.901 9.657 -12.964) 16.277 2.021 ( 1.901 9.657 12.964) 16.277 2.253 ( -6.972 8.159 -5.803) 12.201 2.253 ( -6.972 8.159 5.803) 12.201 2.430 ( -6.265 12.535 -6.720) 15.542 2.430 ( -6.265 12.535 6.720) 15.542 2.967 ( 3.861 19.501 -4.181) 20.315 2.967 ( 3.861 19.501 4.181) 20.315 3.121 ( 1.049 20.469 -3.205) 20.745 3.121 ( 1.049 20.469 3.205) 20.745 3.180 ( -2.024 13.838 -1.171) 14.034 3.180 ( -2.024 13.838 1.171) 14.034 3.404 ( 1.640 17.447 -2.882) 17.760 3.404 ( 1.640 17.447 2.882) 17.760 3.669 ( 1.540 23.713 -0.958) 23.783 3.669 ( 1.540 23.713 0.958) 23.783 3.906 ( -3.449 6.010 -3.750) 7.880 3.906 ( -3.449 6.010 3.750) 7.880 4.273 ( 2.242 7.815 -3.652) 8.913 4.273 ( 2.242 7.815 3.652) 8.913 4.501 ( 1.035 29.813 -1.689) 29.878 4.501 ( 1.035 29.813 1.689) 29.878 4.724 ( -2.440 27.790 -2.923) 28.049 4.724 ( -2.440 27.790 2.923) 28.049 4.883 ( -2.159 5.031 -4.138) 6.863 4.883 ( -2.159 5.031 4.138) 6.863 5.257 ( 7.319 -1.851 -1.710) 7.741 5.257 ( 7.319 -1.851 1.710) 7.741 5.461 ( -6.271 -2.277 -3.923) 7.740 5.461 ( -6.271 -2.277 3.923) 7.740 6.876 ( 0.978 -7.163 -0.576) 7.253 6.876 ( 0.978 -7.163 0.576) 7.253 6.893 ( 0.551 -5.271 -1.572) 5.528 6.893 ( 0.551 -5.271 1.572) 5.528 7.234 ( 1.202 -3.061 -0.474) 3.323 7.234 ( 1.202 -3.061 0.474) 3.323 7.677 ( 0.775 -11.894 -2.924) 12.272 7.677 ( 0.775 -11.894 2.924) 12.272 8.604 ( -0.472 -1.236 -4.011) 4.224 8.604 ( -0.472 -1.236 4.011) 4.224 8.810 ( 4.233 -0.596 -4.061) 5.896 8.810 ( 4.233 -0.596 4.061) 5.896 8.986 ( 1.677 11.466 -0.408) 11.595 8.986 ( 1.677 11.466 0.408) 11.595 9.119 ( -6.108 9.690 -5.209) 12.583 9.119 ( -6.108 9.690 5.209) 12.583 10.065 ( 3.028 21.257 -1.462) 21.521 10.065 ( 3.028 21.257 1.462) 21.521 10.171 ( -4.544 16.099 -0.627) 16.740 10.171 ( -4.544 16.099 0.627) 16.740 10.757 ( 5.674 4.336 -4.784) 8.595 10.757 ( 5.674 4.336 4.784) 8.595 10.909 ( -4.115 2.905 -4.017) 6.443 10.909 ( -4.115 2.905 4.017) 6.443 11.403 ( 12.468 2.409 -6.287) 14.170 11.403 ( 12.468 2.409 6.287) 14.170 11.573 ( -1.718 5.601 -7.914) 9.847 11.573 ( -1.718 5.601 7.914) 9.847 12.138 ( -5.967 -0.584 -4.246) 7.347 12.138 ( -5.967 -0.584 4.246) 7.347 12.413 ( 0.084 1.261 -2.727) 3.005 12.413 ( 0.084 1.261 2.727) 3.005 13.188 ( -2.563 -2.991 -2.887) 4.883 13.188 ( -2.563 -2.991 2.887) 4.883 13.428 ( -7.468 -6.524 -5.162) 11.180 13.428 ( -7.468 -6.524 5.162) 11.180 14.029 ( 2.455 -3.942 -5.473) 7.177 14.029 ( 2.455 -3.942 5.473) 7.177 14.210 ( -3.101 2.610 -4.957) 6.403 14.210 ( -3.101 2.610 4.957) 6.403 14.700 ( 2.160 -6.255 -1.337) 6.751 14.700 ( 2.160 -6.255 1.337) 6.751 14.949 ( 0.122 -6.187 -1.434) 6.352 14.949 ( 0.122 -6.187 1.434) 6.352 17.164 ( 2.818 1.932 -1.569) 3.759 17.164 ( 2.818 1.932 1.569) 3.759 17.480 ( 1.403 1.725 -1.408) 2.632 17.480 ( 1.403 1.725 1.408) 2.632 18.902 ( 0.214 -15.776 -2.659) 16.000 18.902 ( 0.214 -15.776 2.659) 16.000 19.177 ( -3.229 -17.602 -2.601) 18.083 19.177 ( -3.229 -17.602 2.601) 18.083 ======================= Grid point 180 (58/72) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 0.000 13.058 -6.520) 14.595 1.795 ( 0.000 13.058 6.520) 14.595 2.215 ( 0.000 17.986 -4.066) 18.440 2.215 ( 0.000 17.986 4.066) 18.440 2.548 ( 0.000 7.369 -5.690) 9.310 2.548 ( 0.000 7.369 5.690) 9.310 2.811 ( 0.000 5.689 -5.513) 7.922 2.811 ( 0.000 5.689 5.513) 7.922 2.889 ( 0.000 1.216 -2.654) 2.919 2.889 ( 0.000 1.216 2.654) 2.919 3.570 ( 0.000 16.435 -1.686) 16.521 3.570 ( 0.000 16.435 1.686) 16.521 3.641 ( 0.000 25.447 -6.695) 26.313 3.641 ( 0.000 25.447 6.695) 26.313 3.904 ( 0.000 22.959 -0.568) 22.966 3.904 ( 0.000 22.959 0.568) 22.966 4.129 ( 0.000 19.226 -5.432) 19.978 4.129 ( 0.000 19.226 5.432) 19.978 4.254 ( 0.000 20.999 -1.495) 21.052 4.254 ( 0.000 20.999 1.495) 21.052 4.452 ( 0.000 4.651 -0.316) 4.662 4.452 ( 0.000 4.651 0.316) 4.662 4.611 ( 0.000 -1.091 -0.833) 1.372 4.611 ( 0.000 -1.091 0.833) 1.372 4.948 ( 0.000 3.666 -15.035) 15.475 4.948 ( 0.000 3.666 15.035) 15.475 5.320 ( 0.000 24.119 -0.454) 24.123 5.320 ( 0.000 24.119 0.454) 24.123 5.453 ( 0.000 29.648 -2.198) 29.729 5.453 ( 0.000 29.648 2.198) 29.729 5.767 ( 0.000 16.254 -4.758) 16.936 5.767 ( 0.000 16.254 4.758) 16.936 6.657 ( 0.000 -8.355 -6.209) 10.410 6.657 ( 0.000 -8.355 6.209) 10.410 6.916 ( 0.000 1.292 -0.919) 1.585 6.916 ( 0.000 1.292 0.919) 1.585 7.029 ( 0.000 -7.580 -1.567) 7.740 7.029 ( 0.000 -7.580 1.567) 7.740 7.395 ( 0.000 -8.236 -1.052) 8.303 7.395 ( 0.000 -8.236 1.052) 8.303 8.396 ( 0.000 -5.255 -7.589) 9.231 8.396 ( 0.000 -5.255 7.589) 9.231 8.768 ( 0.000 2.051 -5.594) 5.958 8.768 ( 0.000 2.051 5.594) 5.958 9.039 ( 0.000 -0.924 -5.823) 5.896 9.039 ( 0.000 -0.924 5.823) 5.896 9.530 ( 0.000 10.693 -4.069) 11.441 9.530 ( 0.000 10.693 4.069) 11.441 10.457 ( 0.000 6.682 -0.995) 6.755 10.457 ( 0.000 6.682 0.995) 6.755 10.573 ( 0.000 17.726 -8.931) 19.848 10.573 ( 0.000 17.726 8.931) 19.848 10.690 ( 0.000 9.627 -10.499) 14.245 10.690 ( 0.000 9.627 10.499) 14.245 11.058 ( 0.000 9.171 -0.429) 9.181 11.058 ( 0.000 9.171 0.429) 9.181 11.176 ( 0.000 -1.994 -0.195) 2.004 11.176 ( 0.000 -1.994 0.195) 2.004 11.780 ( 0.000 7.724 -5.639) 9.563 11.780 ( 0.000 7.724 5.639) 9.563 12.059 ( 0.000 8.423 -5.982) 10.331 12.059 ( 0.000 8.423 5.982) 10.331 12.774 ( 0.000 3.691 -3.853) 5.336 12.774 ( 0.000 3.691 3.853) 5.336 13.017 ( 0.000 -3.858 -3.295) 5.074 13.017 ( 0.000 -3.858 3.295) 5.074 13.734 ( 0.000 -7.627 -10.246) 12.773 13.734 ( 0.000 -7.627 10.246) 12.773 13.940 ( 0.000 -2.808 -7.036) 7.575 13.940 ( 0.000 -2.808 7.036) 7.575 14.325 ( 0.000 0.524 -5.272) 5.298 14.325 ( 0.000 0.524 5.272) 5.298 14.525 ( 0.000 -11.064 -5.052) 12.163 14.525 ( 0.000 -11.064 5.052) 12.163 14.687 ( 0.000 -5.668 -2.284) 6.111 14.687 ( 0.000 -5.668 2.284) 6.111 17.085 ( 0.000 -0.029 -3.658) 3.658 17.085 ( 0.000 -0.029 3.658) 3.658 17.442 ( 0.000 2.615 -2.593) 3.683 17.442 ( 0.000 2.615 2.593) 3.683 18.567 ( 0.000 -16.963 -3.678) 17.357 18.567 ( 0.000 -16.963 3.678) 17.357 18.859 ( 0.000 -23.388 -4.919) 23.900 18.859 ( 0.000 -23.388 4.919) 23.900 ======================= Grid point 182 (59/72) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 5.923 12.169 -4.757) 14.345 1.857 ( 5.923 12.169 4.757) 14.345 2.233 ( 1.510 16.061 -6.580) 17.422 2.233 ( 1.510 16.061 6.580) 17.422 2.539 ( -1.544 8.140 -4.061) 9.226 2.539 ( -1.544 8.140 4.061) 9.226 2.724 ( -6.182 5.844 -5.785) 10.287 2.724 ( -6.182 5.844 5.785) 10.287 2.977 ( 6.692 2.161 -9.943) 12.178 2.977 ( 6.692 2.161 9.943) 12.178 3.569 ( -0.708 11.496 -3.171) 11.946 3.569 ( -0.708 11.496 3.171) 11.946 3.647 ( 0.598 27.266 -4.576) 27.653 3.647 ( 0.598 27.266 4.576) 27.653 3.832 ( -5.739 20.962 -2.392) 21.864 3.832 ( -5.739 20.962 2.392) 21.864 4.131 ( 0.026 19.128 -3.361) 19.421 4.131 ( 0.026 19.128 3.361) 19.421 4.232 ( -2.214 20.032 -3.631) 20.479 4.232 ( -2.214 20.032 3.631) 20.479 4.389 ( -1.673 8.490 -2.932) 9.137 4.389 ( -1.673 8.490 2.932) 9.137 4.716 ( 5.864 0.872 -3.255) 6.763 4.716 ( 5.864 0.872 3.255) 6.763 5.003 ( 4.425 2.353 -8.671) 10.015 5.003 ( 4.425 2.353 8.671) 10.015 5.328 ( 0.254 19.073 -1.421) 19.127 5.328 ( 0.254 19.073 1.421) 19.127 5.446 ( -0.228 32.665 -3.231) 32.825 5.446 ( -0.228 32.665 3.231) 32.825 5.714 ( -4.753 18.895 -1.459) 19.538 5.714 ( -4.753 18.895 1.459) 19.538 6.659 ( 0.961 -8.915 -3.528) 9.636 6.659 ( 0.961 -8.915 3.528) 9.636 6.875 ( -2.697 -0.421 -0.769) 2.836 6.875 ( -2.697 -0.421 0.769) 2.836 7.100 ( 4.899 -4.664 -1.107) 6.855 7.100 ( 4.899 -4.664 1.107) 6.855 7.410 ( 1.045 -9.769 -3.317) 10.370 7.410 ( 1.045 -9.769 3.317) 10.370 8.479 ( 6.963 -4.742 -5.801) 10.228 8.479 ( 6.963 -4.742 5.801) 10.228 8.722 ( -2.998 0.712 -5.062) 5.926 8.722 ( -2.998 0.712 5.062) 5.926 9.086 ( 3.221 1.826 -5.616) 6.726 9.086 ( 3.221 1.826 5.616) 6.726 9.468 ( -5.693 9.025 -3.557) 11.248 9.468 ( -5.693 9.025 3.557) 11.248 10.409 ( -1.551 7.373 -0.247) 7.538 10.409 ( -1.551 7.373 0.247) 7.538 10.538 ( -2.024 18.536 -5.090) 19.328 10.538 ( -2.024 18.536 5.090) 19.328 10.818 ( 6.644 8.119 -5.399) 11.799 10.818 ( 6.644 8.119 5.399) 11.799 11.082 ( 0.282 9.013 -3.458) 9.658 11.082 ( 0.282 9.013 3.458) 9.658 11.196 ( 5.467 0.110 -3.846) 6.685 11.196 ( 5.467 0.110 3.846) 6.685 11.747 ( -2.881 6.647 -5.225) 8.932 11.747 ( -2.881 6.647 5.225) 8.932 12.117 ( 4.590 5.905 -4.029) 8.495 12.117 ( 4.590 5.905 4.029) 8.495 12.647 ( -10.724 3.071 -2.362) 11.403 12.647 ( -10.724 3.071 2.362) 11.403 13.050 ( 2.863 -2.991 -3.545) 5.451 13.050 ( 2.863 -2.991 3.545) 5.451 13.616 ( -9.509 -4.528 -9.514) 14.194 13.616 ( -9.509 -4.528 9.514) 14.194 13.970 ( 0.745 -0.494 -9.233) 9.276 13.970 ( 0.745 -0.494 9.233) 9.276 14.330 ( -1.335 1.804 -4.685) 5.195 14.330 ( -1.335 1.804 4.685) 5.195 14.446 ( -1.183 -12.039 -1.597) 12.202 14.446 ( -1.183 -12.039 1.597) 12.202 14.752 ( 2.673 -8.815 -0.826) 9.248 14.752 ( 2.673 -8.815 0.826) 9.248 17.116 ( 2.636 -0.386 -2.849) 3.900 17.116 ( 2.636 -0.386 2.849) 3.900 17.471 ( 2.295 2.025 -2.788) 4.140 17.471 ( 2.295 2.025 2.788) 4.140 18.563 ( -0.377 -17.149 -3.280) 17.464 18.563 ( -0.377 -17.149 3.280) 17.464 18.829 ( -2.411 -22.151 -4.108) 22.657 18.829 ( -2.411 -22.151 4.108) 22.657 ======================= Grid point 184 (60/72) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 9.680 8.995 -1.179) 13.267 2.029 ( 9.680 8.995 1.179) 13.267 2.229 ( -4.204 10.124 -6.588) 12.789 2.229 ( -4.204 10.124 6.588) 12.789 2.452 ( -4.012 12.124 -3.185) 13.161 2.452 ( -4.012 12.124 3.185) 13.161 2.666 ( 0.187 10.621 -3.237) 11.105 2.666 ( 0.187 10.621 3.237) 11.105 3.088 ( 2.692 0.585 -5.122) 5.816 3.088 ( 2.692 0.585 5.122) 5.816 3.542 ( -1.176 6.117 -2.571) 6.739 3.542 ( -1.176 6.117 2.571) 6.739 3.664 ( 1.407 25.242 -1.395) 25.319 3.664 ( 1.407 25.242 1.395) 25.319 3.723 ( -4.014 22.493 -0.894) 22.866 3.723 ( -4.014 22.493 0.894) 22.866 4.138 ( 0.940 18.684 -1.104) 18.740 4.138 ( 0.940 18.684 1.104) 18.740 4.175 ( -2.598 19.559 -1.612) 19.796 4.175 ( -2.598 19.559 1.612) 19.796 4.404 ( 1.596 9.934 -2.353) 10.333 4.404 ( 1.596 9.934 2.353) 10.333 4.800 ( 1.990 4.970 -1.832) 5.658 4.800 ( 1.990 4.970 1.832) 5.658 5.086 ( 2.620 4.308 -1.108) 5.163 5.086 ( 2.620 4.308 1.108) 5.163 5.302 ( -2.155 9.143 -1.991) 9.603 5.302 ( -2.155 9.143 1.991) 9.603 5.483 ( 4.075 33.642 -5.178) 34.282 5.483 ( 4.075 33.642 5.178) 34.282 5.596 ( -5.896 25.623 -3.628) 26.541 5.596 ( -5.896 25.623 3.628) 26.541 6.706 ( 2.845 -8.938 -1.106) 9.445 6.706 ( 2.845 -8.938 1.106) 9.445 6.815 ( -2.776 -2.122 -1.422) 3.772 6.815 ( -2.776 -2.122 1.422) 3.772 7.189 ( 2.779 -1.612 -0.793) 3.309 7.189 ( 2.779 -1.612 0.793) 3.309 7.423 ( 0.120 -12.484 -2.375) 12.708 7.423 ( 0.120 -12.484 2.375) 12.708 8.584 ( 0.860 -0.049 -4.105) 4.194 8.584 ( 0.860 -0.049 4.105) 4.194 8.728 ( 4.110 -3.764 -6.515) 8.574 8.728 ( 4.110 -3.764 6.515) 8.574 9.125 ( 0.002 3.572 -4.401) 5.668 9.125 ( 0.002 3.572 4.401) 5.668 9.339 ( -4.578 7.902 -0.810) 9.168 9.339 ( -4.578 7.902 0.810) 9.168 10.425 ( 2.182 11.508 -1.602) 11.822 10.425 ( 2.182 11.508 1.602) 11.822 10.496 ( -1.962 15.555 -3.398) 16.042 10.496 ( -1.962 15.555 3.398) 16.042 10.894 ( 1.387 6.255 -0.191) 6.410 10.894 ( 1.387 6.255 0.191) 6.410 11.036 ( -2.479 9.728 -3.281) 10.562 11.036 ( -2.479 9.728 3.281) 10.562 11.449 ( 14.713 2.073 -6.504) 16.219 11.449 ( 14.713 2.073 6.504) 16.219 11.669 ( -5.200 3.706 -6.726) 9.274 11.669 ( -5.200 3.706 6.726) 9.274 12.147 ( -3.811 2.776 -0.774) 4.778 12.147 ( -3.811 2.776 0.774) 4.778 12.454 ( -3.782 2.753 -0.735) 4.735 12.454 ( -3.782 2.753 0.735) 4.735 13.145 ( 6.543 0.267 -4.516) 7.955 13.145 ( 6.543 0.267 4.516) 7.955 13.378 ( -11.550 0.137 -7.014) 13.513 13.378 ( -11.550 0.137 7.014) 13.513 13.973 ( 0.135 -1.612 -4.018) 4.331 13.973 ( 0.135 -1.612 4.018) 4.331 14.271 ( -2.147 2.453 -2.534) 4.129 14.271 ( -2.147 2.453 2.534) 4.129 14.505 ( 3.333 -12.005 -1.227) 12.520 14.505 ( 3.333 -12.005 1.227) 12.520 14.768 ( -0.463 -10.485 -0.704) 10.519 14.768 ( -0.463 -10.485 0.704) 10.519 17.170 ( 1.775 -1.158 -1.044) 2.363 17.170 ( 1.775 -1.158 1.044) 2.363 17.513 ( 1.248 1.396 -1.419) 2.350 17.513 ( 1.248 1.396 1.419) 2.350 18.552 ( -0.500 -17.676 -1.458) 17.743 18.552 ( -0.500 -17.676 1.458) 17.743 18.785 ( -1.279 -20.019 -1.595) 20.123 18.785 ( -1.279 -20.019 1.595) 20.123 ======================= Grid point 190 (61/72) ======================= q-point: ( 0.00 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 0.000 12.316 -4.304) 13.046 2.055 ( 0.000 12.316 4.304) 13.046 2.533 ( 0.000 10.930 -1.699) 11.061 2.533 ( 0.000 10.930 1.699) 11.061 2.695 ( 0.000 7.897 -1.461) 8.031 2.695 ( 0.000 7.897 1.461) 8.031 2.920 ( 0.000 2.928 -4.467) 5.341 2.920 ( 0.000 2.928 4.467) 5.341 2.975 ( 0.000 9.987 -7.483) 12.480 2.975 ( 0.000 9.987 7.483) 12.480 3.660 ( 0.000 -1.513 -1.129) 1.888 3.660 ( 0.000 -1.513 1.129) 1.888 4.041 ( 0.000 6.560 -6.309) 9.102 4.041 ( 0.000 6.560 6.309) 9.102 4.243 ( 0.000 10.307 -0.403) 10.315 4.243 ( 0.000 10.307 0.403) 10.315 4.464 ( 0.000 -1.952 -3.687) 4.172 4.464 ( 0.000 -1.952 3.687) 4.172 4.578 ( 0.000 22.986 -3.636) 23.272 4.578 ( 0.000 22.986 3.636) 23.272 4.618 ( 0.000 9.897 -4.801) 11.000 4.618 ( 0.000 9.897 4.801) 11.000 4.795 ( 0.000 21.862 -0.187) 21.863 4.795 ( 0.000 21.862 0.187) 21.863 5.152 ( 0.000 16.857 -4.594) 17.471 5.152 ( 0.000 16.857 4.594) 17.471 5.487 ( 0.000 1.339 -0.688) 1.505 5.487 ( 0.000 1.339 0.688) 1.505 6.135 ( 0.000 30.865 -4.688) 31.219 6.135 ( 0.000 30.865 4.688) 31.219 6.295 ( 0.000 27.647 -1.185) 27.673 6.295 ( 0.000 27.647 1.185) 27.673 6.499 ( 0.000 -6.076 -4.568) 7.602 6.499 ( 0.000 -6.076 4.568) 7.602 6.872 ( 0.000 -5.524 -2.170) 5.935 6.872 ( 0.000 -5.524 2.170) 5.935 6.983 ( 0.000 4.324 -3.262) 5.417 6.983 ( 0.000 4.324 3.262) 5.417 7.263 ( 0.000 -4.889 -2.448) 5.468 7.263 ( 0.000 -4.889 2.448) 5.468 8.357 ( 0.000 1.971 -5.598) 5.935 8.357 ( 0.000 1.971 5.598) 5.935 8.820 ( 0.000 3.871 -6.208) 7.316 8.820 ( 0.000 3.871 6.208) 7.316 9.055 ( 0.000 2.217 -5.626) 6.047 9.055 ( 0.000 2.217 5.626) 6.047 9.649 ( 0.000 1.443 -3.624) 3.900 9.649 ( 0.000 1.443 3.624) 3.900 10.508 ( 0.000 2.426 -2.446) 3.445 10.508 ( 0.000 2.426 2.446) 3.445 10.758 ( 0.000 -2.230 -7.154) 7.493 10.758 ( 0.000 -2.230 7.154) 7.493 10.892 ( 0.000 7.970 -13.595) 15.759 10.892 ( 0.000 7.970 13.595) 15.759 11.142 ( 0.000 1.402 -1.247) 1.876 11.142 ( 0.000 1.402 1.247) 1.876 11.295 ( 0.000 13.193 -3.154) 13.565 11.295 ( 0.000 13.193 3.154) 13.565 11.954 ( 0.000 8.756 -6.449) 10.874 11.954 ( 0.000 8.756 6.449) 10.874 12.286 ( 0.000 11.210 -3.193) 11.656 12.286 ( 0.000 11.210 3.193) 11.656 12.824 ( 0.000 1.543 -2.052) 2.567 12.824 ( 0.000 1.543 2.052) 2.567 13.064 ( 0.000 7.616 -3.446) 8.359 13.064 ( 0.000 7.616 3.446) 8.359 13.483 ( 0.000 -16.234 -9.149) 18.634 13.483 ( 0.000 -16.234 9.149) 18.634 13.882 ( 0.000 -3.184 -0.980) 3.332 13.882 ( 0.000 -3.184 0.980) 3.332 14.248 ( 0.000 -9.702 -6.018) 11.417 14.248 ( 0.000 -9.702 6.018) 11.417 14.360 ( 0.000 -3.917 -2.593) 4.698 14.360 ( 0.000 -3.917 2.593) 4.698 14.622 ( 0.000 0.378 -1.098) 1.161 14.622 ( 0.000 0.378 1.098) 1.161 17.062 ( 0.000 -1.570 -4.158) 4.445 17.062 ( 0.000 -1.570 4.158) 4.445 17.490 ( 0.000 1.969 -3.000) 3.588 17.490 ( 0.000 1.969 3.000) 3.588 18.227 ( 0.000 -15.578 -2.126) 15.723 18.227 ( 0.000 -15.578 2.126) 15.723 18.403 ( 0.000 -20.872 -4.272) 21.305 18.403 ( 0.000 -20.872 4.272) 21.305 ======================= Grid point 192 (62/72) ======================= q-point: ( 0.20 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 4.091 11.453 -2.683) 12.455 2.099 ( 4.091 11.453 2.683) 12.455 2.515 ( -2.202 10.045 -3.376) 10.823 2.515 ( -2.202 10.045 3.376) 10.823 2.711 ( 1.532 8.659 -0.884) 8.838 2.711 ( 1.532 8.659 0.884) 8.838 2.863 ( -2.985 7.646 -1.086) 8.280 2.863 ( -2.985 7.646 1.086) 8.280 3.044 ( 4.440 5.585 -8.403) 11.023 3.044 ( 4.440 5.585 8.403) 11.023 3.625 ( -3.389 -2.041 -4.171) 5.749 3.625 ( -3.389 -2.041 4.171) 5.749 3.979 ( -4.481 3.881 -3.526) 6.897 3.979 ( -4.481 3.881 3.526) 6.897 4.212 ( -1.796 13.172 -1.317) 13.359 4.212 ( -1.796 13.172 1.317) 13.359 4.495 ( 1.243 4.750 -5.120) 7.094 4.495 ( 1.243 4.750 5.120) 7.094 4.560 ( -0.400 18.278 -5.300) 19.035 4.560 ( -0.400 18.278 5.300) 19.035 4.657 ( 1.425 15.851 -1.467) 15.982 4.657 ( 1.425 15.851 1.467) 15.982 4.829 ( 3.666 13.788 -3.665) 14.730 4.829 ( 3.666 13.788 3.665) 14.730 5.155 ( 0.892 14.247 -3.526) 14.704 5.155 ( 0.892 14.247 3.526) 14.704 5.485 ( -0.997 4.508 -0.639) 4.661 5.485 ( -0.997 4.508 0.639) 4.661 6.131 ( -0.352 28.526 -3.646) 28.760 6.131 ( -0.352 28.526 3.646) 28.760 6.291 ( -0.487 29.648 -1.740) 29.703 6.291 ( -0.487 29.648 1.740) 29.703 6.497 ( 0.696 -5.496 -3.040) 6.320 6.497 ( 0.696 -5.496 3.040) 6.320 6.875 ( -1.184 -0.203 -3.153) 3.374 6.875 ( -1.184 -0.203 3.153) 3.374 7.019 ( 4.101 -1.508 -2.924) 5.258 7.019 ( 4.101 -1.508 2.924) 5.258 7.256 ( -0.858 -5.289 -2.114) 5.760 7.256 ( -0.858 -5.289 2.114) 5.760 8.442 ( 7.495 1.776 -5.089) 9.232 8.442 ( 7.495 1.776 5.089) 9.232 8.773 ( -3.220 4.663 -6.592) 8.693 8.773 ( -3.220 4.663 6.592) 8.693 9.122 ( 4.540 1.852 -6.386) 8.051 9.122 ( 4.540 1.852 6.386) 8.051 9.571 ( -6.705 1.841 -2.282) 7.318 9.571 ( -6.705 1.841 2.282) 7.318 10.514 ( 1.426 4.037 -3.605) 5.597 10.514 ( 1.426 4.037 3.605) 5.597 10.743 ( -1.208 -0.123 -5.216) 5.356 10.743 ( -1.208 -0.123 5.216) 5.356 10.942 ( 2.651 4.481 -11.666) 12.775 10.942 ( 2.651 4.481 11.666) 12.775 11.191 ( 4.652 2.579 -4.827) 7.183 11.191 ( 4.652 2.579 4.827) 7.183 11.330 ( 3.705 12.291 -3.549) 13.319 11.330 ( 3.705 12.291 3.549) 13.319 11.885 ( -5.846 6.690 -5.671) 10.540 11.885 ( -5.846 6.690 5.671) 10.540 12.300 ( 0.808 9.651 -1.703) 9.833 12.300 ( 0.808 9.651 1.703) 9.833 12.691 ( -10.900 1.390 -1.329) 11.069 12.691 ( -10.900 1.390 1.329) 11.069 13.099 ( 3.556 7.141 -4.285) 9.055 13.099 ( 3.556 7.141 4.285) 9.055 13.466 ( -1.808 -10.520 -9.125) 14.043 13.466 ( -1.808 -10.520 9.125) 14.043 13.945 ( 3.544 -2.306 -2.337) 4.831 13.945 ( 3.544 -2.306 2.337) 4.831 14.208 ( -2.184 -10.557 -3.956) 11.484 14.208 ( -2.184 -10.557 3.956) 11.484 14.335 ( -1.900 -1.988 -1.812) 3.293 14.335 ( -1.900 -1.988 1.812) 3.293 14.609 ( -1.286 -3.508 -2.054) 4.264 14.609 ( -1.286 -3.508 2.054) 4.264 17.090 ( 2.340 -1.540 -3.238) 4.282 17.090 ( 2.340 -1.540 3.238) 4.282 17.506 ( 1.370 1.334 -2.938) 3.506 17.506 ( 1.370 1.334 2.938) 3.506 18.223 ( -0.548 -15.462 -1.807) 15.577 18.223 ( -0.548 -15.462 1.807) 15.577 18.391 ( -0.786 -20.224 -3.263) 20.501 18.391 ( -0.786 -20.224 3.263) 20.501 ======================= Grid point 194 (63/72) ======================= q-point: ( 0.40 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 5.772 8.797 -0.600) 10.539 2.211 ( 5.772 8.797 0.600) 10.539 2.421 ( -5.779 8.612 -2.310) 10.626 2.421 ( -5.779 8.612 2.310) 10.626 2.734 ( 0.181 14.051 -0.721) 14.071 2.734 ( 0.181 14.051 0.721) 14.071 2.870 ( 3.173 9.305 -2.349) 10.107 2.870 ( 3.173 9.305 2.349) 10.107 3.096 ( -0.126 1.193 -4.206) 4.374 3.096 ( -0.126 1.193 4.206) 4.374 3.542 ( -3.057 -2.797 -3.869) 5.669 3.542 ( -3.057 -2.797 3.869) 5.669 3.929 ( -0.198 4.398 -1.392) 4.617 3.929 ( -0.198 4.398 1.392) 4.617 4.169 ( -1.953 12.155 -0.775) 12.336 4.169 ( -1.953 12.155 0.775) 12.336 4.508 ( 0.712 13.951 -4.925) 14.812 4.508 ( 0.712 13.951 4.925) 14.812 4.545 ( -1.445 17.212 -4.443) 17.834 4.545 ( -1.445 17.212 4.443) 17.834 4.676 ( 0.707 16.841 -1.111) 16.893 4.676 ( 0.707 16.841 1.111) 16.893 4.907 ( 2.397 4.460 -1.728) 5.350 4.907 ( 2.397 4.460 1.728) 5.350 5.202 ( 2.900 11.411 -1.612) 11.884 5.202 ( 2.900 11.411 1.612) 11.884 5.433 ( -3.031 9.225 -0.856) 9.748 5.433 ( -3.031 9.225 0.856) 9.748 6.126 ( -0.064 25.280 -1.295) 25.313 6.126 ( -0.064 25.280 1.295) 25.313 6.280 ( -0.358 33.051 -1.205) 33.075 6.280 ( -0.358 33.051 1.205) 33.075 6.535 ( 2.000 -6.437 -1.953) 7.017 6.535 ( 2.000 -6.437 1.953) 7.017 6.827 ( -2.217 4.087 -2.039) 5.077 6.827 ( -2.217 4.087 2.039) 5.077 7.127 ( 5.227 -6.073 -1.492) 8.150 7.127 ( 5.227 -6.073 1.492) 8.150 7.217 ( -2.984 -5.297 -0.706) 6.120 7.217 ( -2.984 -5.297 0.706) 6.120 8.609 ( 5.999 2.932 -4.149) 7.861 8.609 ( 5.999 2.932 4.149) 7.861 8.724 ( -0.832 3.746 -6.928) 7.919 8.724 ( -0.832 3.746 6.928) 7.919 9.174 ( -0.159 1.950 -5.527) 5.863 9.174 ( -0.159 1.950 5.527) 5.863 9.438 ( -3.910 2.746 -0.996) 4.881 9.438 ( -3.910 2.746 0.996) 4.881 10.587 ( 5.166 4.646 -4.586) 8.325 10.587 ( 5.166 4.646 4.586) 8.325 10.692 ( -4.019 3.053 -5.494) 7.460 10.692 ( -4.019 3.053 5.494) 7.460 10.995 ( 2.551 4.049 -6.389) 7.982 10.995 ( 2.551 4.049 6.389) 7.982 11.209 ( -2.417 5.013 -6.915) 8.876 11.209 ( -2.417 5.013 6.915) 8.876 11.521 ( 12.708 5.987 -5.305) 15.016 11.521 ( 12.708 5.987 5.305) 15.016 11.743 ( -7.838 3.953 -5.199) 10.203 11.743 ( -7.838 3.953 5.199) 10.203 12.257 ( -5.003 6.842 -0.929) 8.527 12.257 ( -5.003 6.842 0.929) 8.527 12.513 ( -3.233 2.376 -0.248) 4.020 12.513 ( -3.233 2.376 0.248) 4.020 13.212 ( 6.734 5.615 -4.899) 10.043 13.212 ( 6.734 5.615 4.899) 10.043 13.385 ( -6.013 -0.560 -7.369) 9.528 13.385 ( -6.013 -0.560 7.369) 9.528 13.953 ( -1.287 -0.815 -1.165) 1.918 13.953 ( -1.287 -0.815 1.165) 1.918 14.233 ( 3.513 -9.996 -3.996) 11.324 14.233 ( 3.513 -9.996 3.996) 11.324 14.293 ( -2.121 -4.097 -4.437) 6.401 14.293 ( -2.121 -4.097 4.437) 6.401 14.575 ( -1.436 -6.951 -0.916) 7.157 14.575 ( -1.436 -6.951 0.916) 7.157 17.136 ( 1.425 -1.675 -1.177) 2.495 17.136 ( 1.425 -1.675 1.177) 2.495 17.534 ( 0.910 0.551 -1.432) 1.784 17.534 ( 0.910 0.551 1.432) 1.784 18.205 ( -0.762 -15.576 -0.778) 15.614 18.205 ( -0.762 -15.576 0.778) 15.614 18.381 ( -0.179 -18.949 -1.019) 18.977 18.381 ( -0.179 -18.949 1.019) 18.977 ======================= Grid point 200 (64/72) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 0.000 11.429 -3.287) 11.892 2.298 ( 0.000 11.429 3.287) 11.892 2.651 ( 0.000 2.770 -1.208) 3.022 2.651 ( 0.000 2.770 1.208) 3.022 2.839 ( 0.000 3.980 -2.573) 4.740 2.839 ( 0.000 3.980 2.573) 4.740 3.035 ( 0.000 8.042 -3.599) 8.811 3.035 ( 0.000 8.042 3.599) 8.811 3.211 ( 0.000 12.392 -5.550) 13.578 3.211 ( 0.000 12.392 5.550) 13.578 3.588 ( 0.000 -4.376 -2.401) 4.992 3.588 ( 0.000 -4.376 2.401) 4.992 4.058 ( 0.000 -2.435 -4.556) 5.166 4.058 ( 0.000 -2.435 4.556) 5.166 4.258 ( 0.000 -5.293 -6.729) 8.561 4.258 ( 0.000 -5.293 6.729) 8.561 4.392 ( 0.000 -3.709 -0.129) 3.711 4.392 ( 0.000 -3.709 0.129) 3.711 4.778 ( 0.000 2.885 -7.200) 7.757 4.778 ( 0.000 2.885 7.200) 7.757 5.080 ( 0.000 22.952 -2.974) 23.144 5.080 ( 0.000 22.952 2.974) 23.144 5.200 ( 0.000 16.174 -1.166) 16.216 5.200 ( 0.000 16.174 1.166) 16.216 5.519 ( 0.000 15.254 -0.520) 15.263 5.519 ( 0.000 15.254 0.520) 15.263 5.550 ( 0.000 7.213 -0.336) 7.221 5.550 ( 0.000 7.213 0.336) 7.221 6.352 ( 0.000 -3.435 -5.156) 6.195 6.352 ( 0.000 -3.435 5.156) 6.195 6.606 ( 0.000 9.941 -3.898) 10.678 6.606 ( 0.000 9.941 3.898) 10.678 6.768 ( 0.000 9.169 -6.181) 11.057 6.768 ( 0.000 9.169 6.181) 11.057 6.875 ( 0.000 14.711 -3.193) 15.054 6.875 ( 0.000 14.711 3.193) 15.054 7.131 ( 0.000 6.887 -2.160) 7.218 7.131 ( 0.000 6.887 2.160) 7.218 7.205 ( 0.000 2.454 -2.313) 3.372 7.205 ( 0.000 2.454 2.313) 3.372 8.478 ( 0.000 9.426 -3.491) 10.052 8.478 ( 0.000 9.426 3.491) 10.052 8.940 ( 0.000 7.466 -6.526) 9.916 8.940 ( 0.000 7.466 6.526) 9.916 9.120 ( 0.000 4.087 -5.733) 7.041 9.120 ( 0.000 4.087 5.733) 7.041 9.620 ( 0.000 -3.499 -3.297) 4.807 9.620 ( 0.000 -3.499 3.297) 4.807 10.601 ( 0.000 4.913 -2.146) 5.361 10.601 ( 0.000 4.913 2.146) 5.361 10.667 ( 0.000 -3.016 -8.105) 8.648 10.667 ( 0.000 -3.016 8.105) 8.648 10.872 ( 0.000 -5.571 -10.848) 12.195 10.872 ( 0.000 -5.571 10.848) 12.195 11.288 ( 0.000 8.814 -0.799) 8.850 11.288 ( 0.000 8.814 0.799) 8.850 11.543 ( 0.000 10.664 -5.485) 11.992 11.543 ( 0.000 10.664 5.485) 11.992 12.083 ( 0.000 2.582 -6.007) 6.538 12.083 ( 0.000 2.582 6.007) 6.538 12.457 ( 0.000 5.130 -4.793) 7.021 12.457 ( 0.000 5.130 4.793) 7.021 12.856 ( 0.000 1.814 -7.687) 7.898 12.856 ( 0.000 1.814 7.687) 7.898 13.114 ( 0.000 -18.399 -5.363) 19.164 13.114 ( 0.000 -18.399 5.363) 19.164 13.273 ( 0.000 11.272 -2.135) 11.472 13.273 ( 0.000 11.272 2.135) 11.472 13.782 ( 0.000 -7.923 -2.247) 8.235 13.782 ( 0.000 -7.923 2.247) 8.235 14.018 ( 0.000 -9.881 -3.391) 10.446 14.018 ( 0.000 -9.881 3.391) 10.446 14.333 ( 0.000 0.928 -3.832) 3.943 14.333 ( 0.000 0.928 3.832) 3.943 14.670 ( 0.000 3.134 -2.228) 3.845 14.670 ( 0.000 3.134 2.228) 3.845 17.042 ( 0.000 -0.099 -4.515) 4.516 17.042 ( 0.000 -0.099 4.515) 4.516 17.516 ( 0.000 0.383 -3.433) 3.454 17.516 ( 0.000 0.383 3.433) 3.454 17.944 ( 0.000 -12.268 -1.887) 12.412 17.944 ( 0.000 -12.268 1.887) 12.412 18.026 ( 0.000 -14.948 -5.446) 15.909 18.026 ( 0.000 -14.948 5.446) 15.909 ======================= Grid point 202 (65/72) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 2.471 10.611 -1.934) 11.065 2.325 ( 2.471 10.611 1.934) 11.065 2.648 ( -1.347 4.073 -1.377) 4.505 2.648 ( -1.347 4.073 1.377) 4.505 2.837 ( 1.220 3.138 -3.001) 4.510 2.837 ( 1.220 3.138 3.001) 4.510 3.040 ( 0.508 8.554 -3.411) 9.224 3.040 ( 0.508 8.554 3.411) 9.224 3.223 ( 0.520 11.173 -5.132) 12.306 3.223 ( 0.520 11.173 5.132) 12.306 3.553 ( -3.275 -3.802 -3.314) 6.013 3.553 ( -3.275 -3.802 3.314) 6.013 3.994 ( -3.682 -1.007 -3.237) 5.005 3.994 ( -3.682 -1.007 3.237) 5.005 4.258 ( -0.655 -4.874 -5.142) 7.116 4.258 ( -0.655 -4.874 5.142) 7.116 4.463 ( 5.111 -3.898 -0.367) 6.439 4.463 ( 5.111 -3.898 0.367) 6.439 4.786 ( 0.741 1.885 -5.761) 6.107 4.786 ( 0.741 1.885 5.761) 6.107 5.063 ( -1.155 21.208 -1.327) 21.280 5.063 ( -1.155 21.208 1.327) 21.280 5.181 ( -2.167 16.899 -2.735) 17.256 5.181 ( -2.167 16.899 2.735) 17.256 5.468 ( -0.749 13.559 -1.376) 13.649 5.468 ( -0.749 13.559 1.376) 13.649 5.637 ( 3.901 10.216 -0.943) 10.976 5.637 ( 3.901 10.216 0.943) 10.976 6.344 ( 0.092 -1.599 -4.451) 4.730 6.344 ( 0.092 -1.599 4.451) 4.730 6.574 ( -2.997 8.235 -3.837) 9.567 6.574 ( -2.997 8.235 3.837) 9.567 6.812 ( 3.506 10.050 -4.987) 11.754 6.812 ( 3.506 10.050 4.987) 11.754 6.897 ( 1.762 12.968 -2.655) 13.353 6.897 ( 1.762 12.968 2.655) 13.353 7.122 ( -0.687 8.099 -2.971) 8.654 7.122 ( -0.687 8.099 2.971) 8.654 7.190 ( -1.313 1.305 -2.786) 3.345 7.190 ( -1.313 1.305 2.786) 3.345 8.555 ( 6.837 8.811 -3.576) 11.712 8.555 ( 6.837 8.811 3.576) 11.712 8.912 ( -2.167 8.336 -6.755) 10.946 8.912 ( -2.167 8.336 6.755) 10.946 9.171 ( 3.759 3.273 -6.508) 8.198 9.171 ( 3.759 3.273 6.508) 8.198 9.572 ( -4.151 -1.176 -1.766) 4.662 9.572 ( -4.151 -1.176 1.766) 4.662 10.605 ( 0.343 4.899 -5.325) 7.243 10.605 ( 0.343 4.899 5.325) 7.243 10.668 ( 0.560 -4.187 -5.041) 6.576 10.668 ( 0.560 -4.187 5.041) 6.576 10.920 ( 4.436 -4.851 -12.415) 14.048 10.920 ( 4.436 -4.851 12.415) 14.048 11.306 ( 0.611 6.269 -5.349) 8.263 11.306 ( 0.611 6.269 5.349) 8.263 11.566 ( 2.454 10.333 -4.907) 11.699 11.566 ( 2.454 10.333 4.907) 11.699 11.986 ( -7.671 2.576 -6.128) 10.151 11.986 ( -7.671 2.576 6.128) 10.151 12.448 ( -0.684 4.084 -3.729) 5.572 12.448 ( -0.684 4.084 3.729) 5.572 12.714 ( -11.525 1.120 -5.682) 12.899 12.714 ( -11.525 1.120 5.682) 12.899 13.180 ( 5.076 -12.789 -2.541) 13.992 13.180 ( 5.076 -12.789 2.541) 13.992 13.303 ( 2.644 7.484 -3.106) 8.523 13.303 ( 2.644 7.484 3.106) 8.523 13.860 ( 5.517 -7.338 -1.167) 9.255 13.860 ( 5.517 -7.338 1.167) 9.255 14.010 ( 0.029 -6.597 -2.846) 7.185 14.010 ( 0.029 -6.597 2.846) 7.185 14.307 ( -2.498 0.364 -2.820) 3.784 14.307 ( -2.498 0.364 2.820) 3.784 14.602 ( -5.707 1.344 -4.369) 7.312 14.602 ( -5.707 1.344 4.369) 7.312 17.072 ( 2.483 0.084 -3.498) 4.291 17.072 ( 2.483 0.084 3.498) 4.291 17.519 ( 0.302 -0.365 -3.262) 3.296 17.519 ( 0.302 -0.365 3.262) 3.296 17.949 ( -0.075 -11.256 -1.256) 11.326 17.949 ( -0.075 -11.256 1.256) 11.326 18.021 ( -0.020 -15.173 -4.230) 15.751 18.021 ( -0.020 -15.173 4.230) 15.751 ======================= Grid point 204 (66/72) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 3.170 8.783 -0.244) 9.341 2.391 ( 3.170 8.783 0.244) 9.341 2.578 ( -3.881 6.622 -1.323) 7.789 2.578 ( -3.881 6.622 1.323) 7.789 2.911 ( 3.984 1.852 -2.722) 5.169 2.911 ( 3.984 1.852 2.722) 5.169 3.059 ( 1.459 7.972 -2.042) 8.358 3.059 ( 1.459 7.972 2.042) 8.358 3.201 ( -2.694 10.149 -3.042) 10.932 3.201 ( -2.694 10.149 3.042) 10.932 3.476 ( -2.744 -2.547 -4.019) 5.492 3.476 ( -2.744 -2.547 4.019) 5.492 3.969 ( 0.795 0.811 -1.874) 2.192 3.969 ( 0.795 0.811 1.874) 2.192 4.216 ( -2.418 -3.945 -1.657) 4.915 4.216 ( -2.418 -3.945 1.657) 4.915 4.557 ( 2.953 -3.617 -0.769) 4.733 4.557 ( 2.953 -3.617 0.769) 4.733 4.799 ( 0.312 0.850 -2.437) 2.600 4.799 ( 0.312 0.850 2.437) 2.600 5.057 ( 0.996 17.951 -1.844) 18.073 5.057 ( 0.996 17.951 1.844) 18.073 5.115 ( -3.320 17.860 -2.818) 18.383 5.115 ( -3.320 17.860 2.818) 18.383 5.486 ( 1.383 13.614 -1.528) 13.769 5.486 ( 1.383 13.614 1.528) 13.769 5.681 ( 0.549 12.482 -1.021) 12.536 5.681 ( 0.549 12.482 1.021) 12.536 6.385 ( 3.709 0.099 -3.133) 4.856 6.385 ( 3.709 0.099 3.133) 4.856 6.489 ( -4.777 5.774 -3.340) 8.204 6.489 ( -4.777 5.774 3.340) 8.204 6.884 ( 2.859 14.874 -2.774) 15.398 6.884 ( 2.859 14.874 2.774) 15.398 6.922 ( -0.060 8.247 -2.448) 8.603 6.922 ( -0.060 8.247 2.448) 8.603 7.115 ( 0.270 9.294 -3.090) 9.798 7.115 ( 0.270 9.294 3.090) 9.798 7.158 ( -1.408 -0.679 -2.717) 3.134 7.158 ( -1.408 -0.679 2.717) 3.134 8.720 ( 7.280 7.547 -3.478) 11.047 8.720 ( 7.280 7.547 3.478) 11.047 8.858 ( -3.041 8.385 -5.531) 10.495 8.858 ( -3.041 8.385 5.531) 10.495 9.230 ( 1.263 4.111 -5.172) 6.726 9.230 ( 1.263 4.111 5.172) 6.726 9.482 ( -3.140 2.067 -1.475) 4.038 9.482 ( -3.140 2.067 1.475) 4.038 10.624 ( 1.028 -0.512 -4.767) 4.903 10.624 ( 1.028 -0.512 4.767) 4.903 10.690 ( 1.130 -1.202 -3.377) 3.758 10.690 ( 1.130 -1.202 3.377) 3.758 11.030 ( 5.113 -1.116 -8.601) 10.068 11.030 ( 5.113 -1.116 8.601) 10.068 11.250 ( -5.374 -0.184 -6.889) 8.739 11.250 ( -5.374 -0.184 6.889) 8.739 11.674 ( 7.456 7.442 -4.093) 11.301 11.674 ( 7.456 7.442 4.093) 11.301 11.837 ( -6.128 5.467 -5.158) 9.698 11.837 ( -6.128 5.467 5.158) 9.698 12.383 ( -5.900 5.174 -0.168) 7.850 12.383 ( -5.900 5.174 0.168) 7.850 12.528 ( -2.874 -1.156 -1.538) 3.459 12.528 ( -2.874 -1.156 1.538) 3.459 13.285 ( 4.225 -4.333 -4.726) 7.679 13.285 ( 4.225 -4.333 4.726) 7.679 13.344 ( 0.210 -0.278 -5.572) 5.583 13.344 ( 0.210 -0.278 5.572) 5.583 13.913 ( -0.118 -2.732 -2.996) 4.056 13.913 ( -0.118 -2.732 2.996) 4.056 14.083 ( 6.281 -2.658 -4.303) 8.064 14.083 ( 6.281 -2.658 4.303) 8.064 14.227 ( -5.080 -1.421 -3.433) 6.294 14.227 ( -5.080 -1.421 3.433) 6.294 14.489 ( -3.573 -2.599 -3.000) 5.341 14.489 ( -3.573 -2.599 3.000) 5.341 17.119 ( 1.385 0.262 -1.249) 1.884 17.119 ( 1.385 0.262 1.249) 1.884 17.529 ( 0.465 -1.318 -1.560) 2.094 17.529 ( 0.465 -1.318 1.560) 2.094 17.933 ( -0.872 -10.760 -0.278) 10.799 17.933 ( -0.872 -10.760 0.278) 10.799 18.032 ( 0.593 -14.565 -1.018) 14.613 18.032 ( 0.593 -14.565 1.018) 14.613 ======================= Grid point 210 (67/72) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 0.000 9.746 -1.851) 9.921 2.518 ( 0.000 9.746 1.851) 9.921 2.694 ( 0.000 2.086 -2.846) 3.528 2.694 ( 0.000 2.086 2.846) 3.528 2.883 ( 0.000 1.206 -1.423) 1.865 2.883 ( 0.000 1.206 1.423) 1.865 3.137 ( 0.000 -0.548 -0.280) 0.615 3.137 ( 0.000 -0.548 0.280) 0.615 3.462 ( 0.000 11.793 -3.572) 12.322 3.462 ( 0.000 11.793 3.572) 12.322 3.551 ( 0.000 2.749 -2.235) 3.543 3.551 ( 0.000 2.749 2.235) 3.543 3.976 ( 0.000 -5.260 -2.821) 5.968 3.976 ( 0.000 -5.260 2.821) 5.968 4.110 ( 0.000 -8.492 -5.467) 10.100 4.110 ( 0.000 -8.492 5.467) 10.100 4.327 ( 0.000 -2.517 -0.095) 2.519 4.327 ( 0.000 -2.517 0.095) 2.519 4.738 ( 0.000 -4.736 -5.004) 6.890 4.738 ( 0.000 -4.736 5.004) 6.890 5.440 ( 0.000 7.514 -0.504) 7.531 5.440 ( 0.000 7.514 0.504) 7.531 5.463 ( 0.000 13.742 -2.370) 13.944 5.463 ( 0.000 13.742 2.370) 13.944 5.684 ( 0.000 6.311 -1.629) 6.517 5.684 ( 0.000 6.311 1.629) 6.517 5.799 ( 0.000 9.950 -1.387) 10.046 5.799 ( 0.000 9.950 1.387) 10.046 6.315 ( 0.000 0.070 -3.885) 3.886 6.315 ( 0.000 0.070 3.885) 3.886 6.712 ( 0.000 3.641 -0.254) 3.650 6.712 ( 0.000 3.641 0.254) 3.650 6.890 ( 0.000 5.382 -0.629) 5.419 6.890 ( 0.000 5.382 0.629) 5.419 7.053 ( 0.000 -1.251 -2.060) 2.410 7.053 ( 0.000 -1.251 2.060) 2.410 7.287 ( 0.000 12.182 -0.259) 12.185 7.287 ( 0.000 12.182 0.259) 12.185 7.402 ( 0.000 9.961 -0.350) 9.967 7.402 ( 0.000 9.961 0.350) 9.967 8.707 ( 0.000 11.795 -1.925) 11.951 8.707 ( 0.000 11.795 1.925) 11.951 9.077 ( 0.000 4.444 -5.653) 7.191 9.077 ( 0.000 4.444 5.653) 7.191 9.223 ( 0.000 5.842 -5.317) 7.899 9.223 ( 0.000 5.842 5.317) 7.899 9.541 ( 0.000 -3.404 -2.666) 4.324 9.541 ( 0.000 -3.404 2.666) 4.324 10.531 ( 0.000 -4.829 -1.362) 5.017 10.531 ( 0.000 -4.829 1.362) 5.017 10.727 ( 0.000 -4.471 -8.950) 10.005 10.727 ( 0.000 -4.471 8.950) 10.005 10.877 ( 0.000 13.370 -6.610) 14.915 10.877 ( 0.000 13.370 6.610) 14.915 11.433 ( 0.000 5.369 -1.852) 5.679 11.433 ( 0.000 5.369 1.852) 5.679 11.723 ( 0.000 6.174 -6.710) 9.118 11.723 ( 0.000 6.174 6.710) 9.118 12.035 ( 0.000 -6.860 -5.831) 9.003 12.035 ( 0.000 -6.860 5.831) 9.003 12.496 ( 0.000 -1.399 -3.672) 3.929 12.496 ( 0.000 -1.399 3.672) 3.929 12.749 ( 0.000 -12.516 -3.621) 13.029 12.749 ( 0.000 -12.516 3.621) 13.029 12.946 ( 0.000 4.014 -7.407) 8.425 12.946 ( 0.000 4.014 7.407) 8.425 13.462 ( 0.000 3.858 -2.897) 4.825 13.462 ( 0.000 3.858 2.897) 4.825 13.556 ( 0.000 -9.680 -4.416) 10.640 13.556 ( 0.000 -9.680 4.416) 10.640 13.900 ( 0.000 -2.651 -7.340) 7.804 13.900 ( 0.000 -2.651 7.340) 7.804 14.385 ( 0.000 3.553 -2.908) 4.591 14.385 ( 0.000 3.553 2.908) 4.591 14.720 ( 0.000 1.442 -2.367) 2.772 14.720 ( 0.000 1.442 2.367) 2.772 17.060 ( 0.000 1.749 -3.771) 4.157 17.060 ( 0.000 1.749 3.771) 4.157 17.493 ( 0.000 -2.879 -3.633) 4.635 17.493 ( 0.000 -2.879 3.633) 4.635 17.711 ( 0.000 -9.206 -0.356) 9.213 17.711 ( 0.000 -9.206 0.356) 9.213 17.831 ( 0.000 -4.997 -4.081) 6.451 17.831 ( 0.000 -4.997 4.081) 6.451 ======================= Grid point 212 (68/72) ======================= q-point: ( 0.20 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 1.312 9.350 -0.991) 9.493 2.531 ( 1.312 9.350 0.991) 9.493 2.709 ( 0.676 2.251 -2.729) 3.602 2.709 ( 0.676 2.251 2.729) 3.602 2.875 ( -0.179 1.224 -2.549) 2.834 2.875 ( -0.179 1.224 2.549) 2.834 3.124 ( -1.046 -1.733 -2.860) 3.503 3.124 ( -1.046 -1.733 2.860) 3.503 3.462 ( -0.206 11.302 -3.949) 11.974 3.462 ( -0.206 11.302 3.949) 11.974 3.540 ( -1.388 4.133 -4.023) 5.932 3.540 ( -1.388 4.133 4.023) 5.932 3.953 ( -0.743 -3.092 -3.078) 4.426 3.953 ( -0.743 -3.092 3.078) 4.426 4.109 ( -0.342 -8.748 -4.329) 9.766 4.109 ( -0.342 -8.748 4.329) 9.766 4.384 ( 4.381 -3.089 -0.764) 5.415 4.384 ( 4.381 -3.089 0.764) 5.415 4.735 ( -0.296 -5.027 -4.677) 6.873 4.735 ( -0.296 -5.027 4.677) 6.873 5.395 ( -2.329 10.111 -1.775) 10.527 5.395 ( -2.329 10.111 1.775) 10.527 5.467 ( -1.297 10.966 -4.588) 11.957 5.467 ( -1.297 10.966 4.588) 11.957 5.693 ( 1.155 8.637 -2.039) 8.949 5.693 ( 1.155 8.637 2.039) 8.949 5.829 ( 2.328 7.468 -2.320) 8.159 5.829 ( 2.328 7.468 2.320) 8.159 6.339 ( 2.410 1.122 -3.141) 4.116 6.339 ( 2.410 1.122 3.141) 4.116 6.669 ( -3.879 3.230 -1.058) 5.157 6.669 ( -3.879 3.230 1.058) 5.157 6.901 ( 0.843 4.406 -1.610) 4.765 6.901 ( 0.843 4.406 1.610) 4.765 7.060 ( 0.593 -1.597 -2.144) 2.738 7.060 ( 0.593 -1.597 2.144) 2.738 7.295 ( 0.766 12.407 -1.508) 12.522 7.295 ( 0.766 12.407 1.508) 12.522 7.392 ( -0.922 10.349 -0.302) 10.394 7.392 ( -0.922 10.349 0.302) 10.394 8.765 ( 5.049 10.526 -1.980) 11.841 8.765 ( 5.049 10.526 1.980) 11.841 9.060 ( -1.592 4.709 -5.245) 7.227 9.060 ( -1.592 4.709 5.245) 7.227 9.270 ( 3.997 6.395 -4.846) 8.964 9.270 ( 3.997 6.395 4.846) 8.964 9.543 ( 0.131 -1.159 -1.867) 2.201 9.543 ( 0.131 -1.159 1.867) 2.201 10.555 ( 1.920 -4.419 -0.433) 4.837 10.555 ( 1.920 -4.419 0.433) 4.837 10.743 ( -1.194 0.388 -5.106) 5.259 10.743 ( -1.194 0.388 5.106) 5.259 10.851 ( 1.393 4.880 -2.848) 5.819 10.851 ( 1.393 4.880 2.848) 5.819 11.393 ( -5.247 1.734 -7.493) 9.310 11.393 ( -5.247 1.734 7.493) 9.310 11.737 ( 1.573 5.679 -4.013) 7.130 11.737 ( 1.573 5.679 4.013) 7.130 11.993 ( -2.401 -1.230 -5.384) 6.022 11.993 ( -2.401 -1.230 5.384) 6.022 12.461 ( -1.751 -2.184 -2.644) 3.850 12.461 ( -1.751 -2.184 2.644) 3.850 12.716 ( -8.523 -2.904 -4.984) 10.291 12.716 ( -8.523 -2.904 4.984) 10.291 12.949 ( 5.443 -5.195 -3.331) 8.228 12.949 ( 5.443 -5.195 3.331) 8.228 13.381 ( -4.763 -4.081 -5.424) 8.292 13.381 ( -4.763 -4.081 5.424) 8.292 13.715 ( 10.450 -2.167 -4.767) 11.688 13.715 ( 10.450 -2.167 4.767) 11.688 13.955 ( 4.958 -0.738 -6.324) 8.069 13.955 ( 4.958 -0.738 6.324) 8.069 14.347 ( -3.555 3.020 -2.056) 5.098 14.347 ( -3.555 3.020 2.056) 5.098 14.625 ( -8.262 0.578 -4.402) 9.380 14.625 ( -8.262 0.578 4.402) 9.380 17.096 ( 2.846 2.028 -2.915) 4.551 17.096 ( 2.846 2.028 2.915) 4.551 17.480 ( -0.927 -3.563 -3.200) 4.877 17.480 ( -0.927 -3.563 3.200) 4.877 17.734 ( 1.714 -8.805 -1.688) 9.128 17.734 ( 1.714 -8.805 1.688) 9.128 17.824 ( -0.573 -4.784 -4.031) 6.282 17.824 ( -0.573 -4.784 4.031) 6.282 ======================= Grid point 214 (69/72) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 2.059 8.769 -0.918) 9.054 2.571 ( 2.059 8.769 0.918) 9.054 2.692 ( -1.886 4.528 -1.946) 5.277 2.692 ( -1.886 4.528 1.946) 5.277 2.897 ( 1.649 -1.878 -2.973) 3.884 2.897 ( 1.649 -1.878 2.973) 3.884 3.102 ( -0.864 -3.658 -2.868) 4.728 3.102 ( -0.864 -3.658 2.868) 4.728 3.452 ( -0.528 12.283 -3.608) 12.813 3.452 ( -0.528 12.283 3.608) 12.813 3.499 ( -1.647 5.493 -4.711) 7.422 3.499 ( -1.647 5.493 4.711) 7.422 3.975 ( 2.091 -0.652 -2.835) 3.583 3.975 ( 2.091 -0.652 2.835) 3.583 4.086 ( -1.619 -7.807 -2.045) 8.231 4.086 ( -1.619 -7.807 2.045) 8.231 4.466 ( 2.577 -3.720 -0.998) 4.634 4.466 ( 2.577 -3.720 0.998) 4.634 4.726 ( -0.471 -6.008 -2.707) 6.607 4.726 ( -0.471 -6.008 2.707) 6.607 5.367 ( -0.222 10.930 -0.928) 10.972 5.367 ( -0.222 10.930 0.928) 10.972 5.420 ( -2.219 10.585 -2.930) 11.205 5.420 ( -2.219 10.585 2.930) 11.205 5.724 ( 1.222 9.660 -0.910) 9.779 5.724 ( 1.222 9.660 0.910) 9.779 5.868 ( 1.035 5.643 -1.252) 5.872 5.868 ( 1.035 5.643 1.252) 5.872 6.416 ( 4.467 3.154 -1.749) 5.741 6.416 ( 4.467 3.154 1.749) 5.741 6.567 ( -5.149 2.296 -1.465) 5.825 6.567 ( -5.149 2.296 1.465) 5.825 6.915 ( 0.326 2.646 -1.160) 2.907 6.915 ( 0.326 2.646 1.160) 2.907 7.072 ( 0.384 -2.134 -1.089) 2.426 7.072 ( 0.384 -2.134 1.089) 2.426 7.316 ( 1.035 13.210 -1.307) 13.315 7.316 ( 1.035 13.210 1.307) 13.315 7.369 ( -1.082 10.554 -0.516) 10.622 7.369 ( -1.082 10.554 0.516) 10.622 8.882 ( 4.934 7.340 -2.085) 9.087 8.882 ( 4.934 7.340 2.085) 9.087 9.013 ( -2.680 5.437 -3.525) 7.012 9.013 ( -2.680 5.437 3.525) 7.012 9.358 ( 3.315 8.108 -2.811) 9.200 9.358 ( 3.315 8.108 2.811) 9.200 9.536 ( -0.795 3.315 -0.768) 3.494 9.536 ( -0.795 3.315 0.768) 3.494 10.595 ( 1.459 -1.739 -0.961) 2.465 10.595 ( 1.459 -1.739 0.961) 2.465 10.683 ( -2.065 0.576 -3.307) 3.941 10.683 ( -2.065 0.576 3.307) 3.941 10.971 ( 7.767 -3.392 -8.798) 12.216 10.971 ( 7.767 -3.392 8.798) 12.216 11.210 ( -10.216 -3.796 -8.560) 13.858 11.210 ( -10.216 -3.796 8.560) 13.858 11.785 ( 2.165 3.845 -2.295) 4.974 11.785 ( 2.165 3.845 2.295) 4.974 11.975 ( 0.212 6.808 -2.829) 7.376 11.975 ( 0.212 6.808 2.829) 7.376 12.443 ( 0.043 -2.029 -1.889) 2.773 12.443 ( 0.043 -2.029 1.889) 2.773 12.506 ( -7.879 2.724 -3.976) 9.237 12.506 ( -7.879 2.724 3.976) 9.237 13.107 ( 7.992 -9.763 -3.273) 13.034 13.107 ( 7.992 -9.763 3.273) 13.034 13.264 ( -6.478 -8.428 -4.178) 11.422 13.264 ( -6.478 -8.428 4.178) 11.422 13.921 ( 7.509 3.724 -4.313) 9.426 13.921 ( 7.509 3.724 4.313) 9.426 14.087 ( 7.285 1.524 -1.826) 7.663 14.087 ( 7.285 1.524 1.826) 7.663 14.240 ( -6.527 2.009 -1.004) 6.903 14.240 ( -6.527 2.009 1.004) 6.903 14.436 ( -7.406 -2.751 -4.825) 9.257 14.436 ( -7.406 -2.751 4.825) 9.257 17.148 ( 1.561 2.532 -1.050) 3.154 17.148 ( 1.561 2.532 1.050) 3.154 17.467 ( -0.254 -4.853 -1.458) 5.074 17.467 ( -0.254 -4.853 1.458) 5.074 17.763 ( 0.741 -6.163 -2.105) 6.555 17.763 ( 0.741 -6.163 2.105) 6.555 17.813 ( -0.272 -6.330 -2.636) 6.862 17.813 ( -0.272 -6.330 2.636) 6.862 ======================= Grid point 220 (70/72) ======================= q-point: ( 0.00 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( 0.000 2.452 -0.791) 2.576 2.653 ( 0.000 2.452 0.791) 2.576 2.768 ( 0.000 4.839 -3.949) 6.246 2.768 ( 0.000 4.839 3.949) 6.246 2.911 ( 0.000 2.473 -0.497) 2.522 2.911 ( 0.000 2.473 0.497) 2.522 3.032 ( 0.000 -7.488 -2.755) 7.979 3.032 ( 0.000 -7.488 2.755) 7.979 3.665 ( 0.000 7.408 -2.896) 7.954 3.665 ( 0.000 7.408 2.896) 7.954 3.705 ( 0.000 10.646 -4.603) 11.599 3.705 ( 0.000 10.646 4.603) 11.599 3.853 ( 0.000 -6.256 -1.928) 6.546 3.853 ( 0.000 -6.256 1.928) 6.546 3.920 ( 0.000 -10.019 -1.036) 10.072 3.920 ( 0.000 -10.019 1.036) 10.072 4.291 ( 0.000 -0.882 -0.005) 0.882 4.291 ( 0.000 -0.882 0.005) 0.882 4.652 ( 0.000 -2.592 -1.604) 3.048 4.652 ( 0.000 -2.592 1.604) 3.048 5.530 ( 0.000 1.866 -0.126) 1.871 5.530 ( 0.000 1.866 0.126) 1.871 5.638 ( 0.000 3.817 -0.690) 3.878 5.638 ( 0.000 3.817 0.690) 3.878 5.768 ( 0.000 1.929 -0.969) 2.159 5.768 ( 0.000 1.929 0.969) 2.159 5.940 ( 0.000 3.677 -0.530) 3.715 5.940 ( 0.000 3.677 0.530) 3.715 6.337 ( 0.000 1.204 -1.268) 1.748 6.337 ( 0.000 1.204 1.268) 1.748 6.775 ( 0.000 1.844 -0.024) 1.844 6.775 ( 0.000 1.844 0.024) 1.844 6.975 ( 0.000 2.664 -2.904) 3.941 6.975 ( 0.000 2.664 2.904) 3.941 7.012 ( 0.000 -1.739 -1.445) 2.261 7.012 ( 0.000 -1.739 1.445) 2.261 7.467 ( 0.000 4.716 -0.784) 4.781 7.467 ( 0.000 4.716 0.784) 4.781 7.541 ( 0.000 3.313 -0.612) 3.369 7.541 ( 0.000 3.313 0.612) 3.369 8.911 ( 0.000 6.779 -1.035) 6.857 8.911 ( 0.000 6.779 1.035) 6.857 9.105 ( 0.000 -0.982 -0.922) 1.347 9.105 ( 0.000 -0.982 0.922) 1.347 9.322 ( 0.000 2.791 -1.324) 3.089 9.322 ( 0.000 2.791 1.324) 3.089 9.502 ( 0.000 -0.470 -1.101) 1.198 9.502 ( 0.000 -0.470 1.101) 1.198 10.458 ( 0.000 -1.991 -0.949) 2.206 10.458 ( 0.000 -1.991 0.949) 2.206 10.645 ( 0.000 -2.390 -2.162) 3.223 10.645 ( 0.000 -2.390 2.162) 3.223 11.203 ( 0.000 15.660 -8.723) 17.925 11.203 ( 0.000 15.660 8.723) 17.925 11.501 ( 0.000 0.140 -4.776) 4.778 11.501 ( 0.000 0.140 4.776) 4.778 11.702 ( 0.000 -8.536 -1.421) 8.654 11.702 ( 0.000 -8.536 1.421) 8.654 11.923 ( 0.000 -0.720 -4.326) 4.385 11.923 ( 0.000 -0.720 4.326) 4.385 12.425 ( 0.000 -3.248 -1.398) 3.536 12.425 ( 0.000 -3.248 1.398) 3.536 12.596 ( 0.000 -3.005 -0.134) 3.008 12.596 ( 0.000 -3.005 0.134) 3.008 13.069 ( 0.000 7.427 -8.551) 11.326 13.069 ( 0.000 7.427 8.551) 11.326 13.276 ( 0.000 -10.713 -8.958) 13.965 13.276 ( 0.000 -10.713 8.958) 13.965 13.589 ( 0.000 2.321 -0.752) 2.440 13.589 ( 0.000 2.321 0.752) 2.440 13.873 ( 0.000 -0.456 -4.188) 4.213 13.873 ( 0.000 -0.456 4.188) 4.213 14.450 ( 0.000 2.101 -0.894) 2.284 14.450 ( 0.000 2.101 0.894) 2.284 14.731 ( 0.000 -0.015 -0.970) 0.970 14.731 ( 0.000 -0.015 0.970) 0.970 17.099 ( 0.000 1.483 -1.596) 2.179 17.099 ( 0.000 1.483 1.596) 2.179 17.418 ( 0.000 -3.045 -1.161) 3.259 17.418 ( 0.000 -3.045 1.161) 3.259 17.599 ( 0.000 -2.244 -0.223) 2.255 17.599 ( 0.000 -2.244 0.223) 2.255 17.777 ( 0.000 -0.979 -1.494) 1.786 17.777 ( 0.000 -0.979 1.494) 1.786 ======================= Grid point 222 (71/72) ======================= q-point: ( 0.20 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 2.115 3.271 -1.567) 4.199 2.675 ( 2.115 3.271 1.567) 4.199 2.765 ( -0.027 3.663 -3.982) 5.411 2.765 ( -0.027 3.663 3.982) 5.411 2.903 ( -1.109 2.090 -1.016) 2.575 2.903 ( -1.109 2.090 1.016) 2.575 3.014 ( -1.695 -6.920 -1.596) 7.302 3.014 ( -1.695 -6.920 1.596) 7.302 3.649 ( -1.152 6.721 -3.557) 7.691 3.649 ( -1.152 6.721 3.557) 7.691 3.704 ( -0.752 9.667 -5.395) 11.096 3.704 ( -0.752 9.667 5.395) 11.096 3.867 ( 2.002 -4.602 -2.296) 5.519 3.867 ( 2.002 -4.602 2.296) 5.519 3.919 ( 0.245 -9.421 -1.409) 9.529 3.919 ( 0.245 -9.421 1.409) 9.529 4.350 ( 4.676 -0.450 -0.683) 4.747 4.350 ( 4.676 -0.450 0.683) 4.747 4.639 ( -1.400 -3.183 -1.738) 3.888 4.639 ( -1.400 -3.183 1.738) 3.888 5.509 ( -1.159 2.282 -0.544) 2.616 5.509 ( -1.159 2.282 0.544) 2.616 5.611 ( -2.577 3.089 -1.712) 4.372 5.611 ( -2.577 3.089 1.712) 4.372 5.812 ( 3.351 2.864 -0.971) 4.514 5.812 ( 3.351 2.864 0.971) 4.514 5.940 ( 0.009 3.126 -0.754) 3.216 5.940 ( 0.009 3.126 0.754) 3.216 6.368 ( 3.095 1.112 -1.050) 3.453 6.368 ( 3.095 1.112 1.050) 3.453 6.724 ( -4.468 1.592 -0.186) 4.747 6.724 ( -4.468 1.592 0.186) 4.747 6.979 ( 0.246 2.741 -1.993) 3.398 6.979 ( 0.246 2.741 1.993) 3.398 7.020 ( 0.624 -1.653 -1.639) 2.410 7.020 ( 0.624 -1.653 1.639) 2.410 7.472 ( 0.519 4.483 -1.009) 4.624 7.472 ( 0.519 4.483 1.009) 4.624 7.536 ( -0.521 3.457 -0.574) 3.543 7.536 ( -0.521 3.457 0.574) 3.543 8.940 ( 2.445 5.432 -0.879) 6.022 8.940 ( 2.445 5.432 0.879) 6.022 9.097 ( -0.906 -0.290 -1.536) 1.807 9.097 ( -0.906 -0.290 1.536) 1.807 9.389 ( 5.903 3.758 -1.693) 7.200 9.389 ( 5.903 3.758 1.693) 7.200 9.535 ( 2.866 0.151 -1.179) 3.103 9.535 ( 2.866 0.151 1.179) 3.103 10.485 ( 2.544 -1.989 -0.400) 3.254 10.485 ( 2.544 -1.989 0.400) 3.254 10.673 ( 2.322 -2.735 -2.070) 4.142 10.673 ( 2.322 -2.735 2.070) 4.142 11.087 ( -8.816 13.014 -7.124) 17.258 11.087 ( -8.816 13.014 7.124) 17.258 11.347 ( -11.521 -6.744 -9.775) 16.546 11.347 ( -11.521 -6.744 9.775) 16.546 11.796 ( 5.640 1.232 -6.870) 8.973 11.796 ( 5.640 1.232 6.870) 8.973 11.960 ( 2.826 -1.833 -2.877) 4.430 11.960 ( 2.826 -1.833 2.877) 4.430 12.426 ( 0.258 0.177 -2.007) 2.032 12.426 ( 0.258 0.177 2.007) 2.032 12.600 ( -0.437 -5.333 -1.205) 5.485 12.600 ( -0.437 -5.333 1.205) 5.485 12.991 ( -4.622 6.225 -5.267) 9.374 12.991 ( -4.622 6.225 5.267) 9.374 13.202 ( -5.665 -9.645 -6.131) 12.755 13.202 ( -5.665 -9.645 6.131) 12.755 13.742 ( 11.893 1.844 -1.693) 12.153 13.742 ( 11.893 1.844 1.693) 12.153 13.946 ( 6.329 -0.276 -3.627) 7.300 13.946 ( 6.329 -0.276 3.627) 7.300 14.405 ( -4.176 1.971 -0.944) 4.713 14.405 ( -4.176 1.971 0.944) 4.713 14.625 ( -9.511 -0.341 -2.048) 9.735 14.625 ( -9.511 -0.341 2.048) 9.735 17.142 ( 3.550 1.857 -1.280) 4.206 17.142 ( 3.550 1.857 1.280) 4.206 17.396 ( -1.883 -3.293 -1.187) 3.975 17.396 ( -1.883 -3.293 1.187) 3.975 17.624 ( 2.261 -2.300 -0.714) 3.303 17.624 ( 2.261 -2.300 0.714) 3.303 17.772 ( -0.616 -0.965 -1.424) 1.827 17.772 ( -0.616 -0.965 1.424) 1.827 ======================= Grid point 224 (72/72) ======================= q-point: ( 0.40 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( 3.053 5.468 -2.945) 6.921 2.734 ( 3.053 5.468 2.945) 6.921 2.771 ( 0.026 3.580 -3.507) 5.012 2.771 ( 0.026 3.580 3.507) 5.012 2.864 ( -1.953 -0.067 -2.722) 3.351 2.864 ( -1.953 -0.067 2.722) 3.351 2.971 ( -1.762 -7.692 -1.604) 8.052 2.971 ( -1.762 -7.692 1.604) 8.052 3.634 ( -0.050 6.671 -2.779) 7.227 3.634 ( -0.050 6.671 2.779) 7.227 3.675 ( -1.433 7.419 -3.390) 8.281 3.675 ( -1.433 7.419 3.390) 8.281 3.916 ( 1.585 -4.629 -4.611) 6.723 3.916 ( 1.585 -4.629 4.611) 6.723 3.935 ( 0.977 -5.584 -3.308) 6.564 3.935 ( 0.977 -5.584 3.308) 6.564 4.446 ( 3.636 1.670 -1.152) 4.163 4.446 ( 3.636 1.670 1.152) 4.163 4.595 ( -2.312 -5.604 -1.552) 6.258 4.595 ( -2.312 -5.604 1.552) 6.258 5.504 ( 0.737 2.962 -0.871) 3.174 5.504 ( 0.737 2.962 0.871) 3.174 5.548 ( -2.774 2.579 -1.557) 4.095 5.548 ( -2.774 2.579 1.557) 4.095 5.875 ( 2.069 4.470 -0.656) 4.969 5.875 ( 2.069 4.470 0.656) 4.969 5.937 ( -0.393 1.300 -0.712) 1.534 5.937 ( -0.393 1.300 0.712) 1.534 6.467 ( 6.047 1.280 -0.450) 6.197 6.467 ( 6.047 1.280 0.450) 6.197 6.605 ( -6.483 1.207 -0.300) 6.601 6.605 ( -6.483 1.207 0.300) 6.601 6.982 ( 0.009 3.014 -0.843) 3.130 6.982 ( 0.009 3.014 0.843) 3.130 7.030 ( 0.215 -1.844 -0.901) 2.064 7.030 ( 0.215 -1.844 0.901) 2.064 7.491 ( 1.249 4.086 -1.033) 4.395 7.491 ( 1.249 4.086 1.033) 4.395 7.518 ( -1.179 3.728 -0.749) 3.981 7.518 ( -1.179 3.728 0.749) 3.981 8.997 ( 2.561 3.548 -0.858) 4.460 8.997 ( 2.561 3.548 0.858) 4.460 9.066 ( -1.807 0.290 -1.314) 2.253 9.066 ( -1.807 0.290 1.314) 2.253 9.518 ( 4.690 5.990 -1.035) 7.678 9.518 ( 4.690 5.990 1.035) 7.678 9.593 ( 1.732 1.144 -0.425) 2.119 9.593 ( 1.732 1.144 0.425) 2.119 10.567 ( 5.360 -0.788 -1.533) 5.631 10.567 ( 5.360 -0.788 1.533) 5.631 10.686 ( -3.360 -0.669 -1.736) 3.840 10.686 ( -3.360 -0.669 1.736) 3.840 10.959 ( -0.137 2.995 -3.034) 4.265 10.959 ( -0.137 2.995 3.034) 4.265 11.101 ( -10.375 -6.113 -7.052) 13.954 11.101 ( -10.375 -6.113 7.052) 13.954 11.879 ( 2.018 5.955 -2.575) 6.795 11.879 ( 2.018 5.955 2.575) 6.795 12.014 ( 1.769 -4.046 -0.867) 4.500 12.014 ( 1.769 -4.046 0.867) 4.500 12.443 ( 1.362 4.257 -1.756) 4.802 12.443 ( 1.362 4.257 1.756) 4.802 12.551 ( -3.320 -0.988 -1.337) 3.713 12.551 ( -3.320 -0.988 1.337) 3.713 12.967 ( 2.471 -1.947 -1.774) 3.612 12.967 ( 2.471 -1.947 1.774) 3.612 13.074 ( -5.928 -8.220 -3.350) 10.674 13.074 ( -5.928 -8.220 3.350) 10.674 14.011 ( 12.174 3.665 -3.488) 13.184 14.011 ( 12.174 3.665 3.488) 13.184 14.103 ( 7.966 -0.312 -3.424) 8.676 14.103 ( 7.966 -0.312 3.424) 8.676 14.286 ( -6.724 1.939 -1.864) 7.241 14.286 ( -6.724 1.939 1.864) 7.241 14.381 ( -11.961 -2.189 -4.142) 12.846 14.381 ( -11.961 -2.189 4.142) 12.846 17.215 ( 2.662 3.631 -0.637) 4.547 17.215 ( 2.662 3.631 0.637) 4.547 17.353 ( -1.756 -5.181 -0.764) 5.523 17.353 ( -1.756 -5.181 0.764) 5.523 17.684 ( 3.101 -1.693 -1.148) 3.715 17.684 ( 3.101 -1.693 1.148) 3.715 17.744 ( -2.091 -1.333 -1.296) 2.798 17.744 ( -2.091 -1.333 1.296) 2.798 =================== 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 3/25200 10.0 3274.566 3448.415 2754.799 0.000 0.000 -0.000 3/25200 20.0 383.615 611.432 456.504 0.000 0.000 0.000 3/25200 30.0 112.431 213.268 133.403 0.000 0.000 0.000 3/25200 40.0 51.858 114.882 61.247 0.000 0.000 0.000 3/25200 50.0 30.309 75.729 35.780 0.000 0.000 0.000 3/25200 60.0 20.324 55.423 24.016 0.000 0.000 0.000 3/25200 70.0 14.871 43.150 17.589 0.000 0.000 0.000 3/25200 80.0 11.548 35.003 13.663 0.000 0.000 0.000 3/25200 90.0 9.360 29.253 11.068 0.000 0.000 0.000 3/25200 100.0 7.833 25.013 9.250 0.000 0.000 0.000 3/25200 110.0 6.719 21.782 7.919 0.000 0.000 0.000 3/25200 120.0 5.876 19.254 6.909 0.000 0.000 0.000 3/25200 130.0 5.220 17.233 6.122 0.000 0.000 0.000 3/25200 140.0 4.696 15.585 5.493 0.000 0.000 0.000 3/25200 150.0 4.270 14.222 4.980 0.000 0.000 0.000 3/25200 160.0 3.916 13.077 4.555 0.000 0.000 0.000 3/25200 170.0 3.618 12.103 4.198 0.000 0.000 0.000 3/25200 180.0 3.364 11.266 3.893 0.000 0.000 0.000 3/25200 190.0 3.145 10.540 3.630 0.000 0.000 0.000 3/25200 200.0 2.953 9.903 3.402 0.000 0.000 0.000 3/25200 210.0 2.785 9.341 3.201 0.000 0.000 0.000 3/25200 220.0 2.636 8.842 3.023 0.000 0.000 0.000 3/25200 230.0 2.502 8.395 2.865 0.000 0.000 0.000 3/25200 240.0 2.382 7.992 2.723 0.000 0.000 0.000 3/25200 250.0 2.274 7.628 2.595 0.000 0.000 0.000 3/25200 260.0 2.175 7.296 2.479 0.000 0.000 0.000 3/25200 270.0 2.085 6.993 2.373 0.000 0.000 0.000 3/25200 280.0 2.002 6.716 2.276 0.000 0.000 0.000 3/25200 290.0 1.926 6.460 2.187 0.000 0.000 0.000 3/25200 300.0 1.856 6.223 2.105 0.000 0.000 0.000 3/25200 310.0 1.791 6.004 2.029 0.000 0.000 0.000 3/25200 320.0 1.730 5.801 1.958 0.000 0.000 0.000 3/25200 330.0 1.674 5.611 1.892 0.000 0.000 0.000 3/25200 340.0 1.621 5.433 1.831 0.000 0.000 0.000 3/25200 350.0 1.572 5.267 1.774 0.000 0.000 0.000 3/25200 360.0 1.525 5.111 1.720 0.000 0.000 0.000 3/25200 370.0 1.481 4.964 1.670 0.000 0.000 0.000 3/25200 380.0 1.440 4.826 1.622 0.000 0.000 0.000 3/25200 390.0 1.401 4.695 1.578 0.000 0.000 0.000 3/25200 400.0 1.364 4.572 1.535 0.000 0.000 0.000 3/25200 410.0 1.330 4.455 1.495 0.000 0.000 0.000 3/25200 420.0 1.296 4.343 1.457 0.000 0.000 0.000 3/25200 430.0 1.265 4.238 1.421 0.000 0.000 0.000 3/25200 440.0 1.235 4.137 1.387 0.000 0.000 0.000 3/25200 450.0 1.207 4.042 1.354 0.000 0.000 0.000 3/25200 460.0 1.179 3.950 1.323 0.000 0.000 0.000 3/25200 470.0 1.153 3.863 1.294 0.000 0.000 0.000 3/25200 480.0 1.128 3.780 1.265 0.000 0.000 0.000 3/25200 490.0 1.105 3.700 1.238 0.000 0.000 0.000 3/25200 500.0 1.082 3.624 1.212 0.000 0.000 0.000 3/25200 510.0 1.060 3.550 1.188 0.000 0.000 0.000 3/25200 520.0 1.039 3.480 1.164 0.000 0.000 0.000 3/25200 530.0 1.019 3.412 1.141 0.000 0.000 0.000 3/25200 540.0 0.999 3.347 1.119 0.000 0.000 0.000 3/25200 550.0 0.981 3.285 1.098 0.000 0.000 0.000 3/25200 560.0 0.963 3.225 1.077 0.000 0.000 0.000 3/25200 570.0 0.946 3.167 1.058 0.000 0.000 0.000 3/25200 580.0 0.929 3.111 1.039 0.000 0.000 0.000 3/25200 590.0 0.913 3.057 1.021 0.000 0.000 0.000 3/25200 600.0 0.897 3.005 1.003 0.000 0.000 0.000 3/25200 610.0 0.882 2.955 0.986 0.000 0.000 0.000 3/25200 620.0 0.868 2.906 0.970 0.000 0.000 0.000 3/25200 630.0 0.854 2.859 0.954 0.000 0.000 0.000 3/25200 640.0 0.840 2.813 0.939 0.000 0.000 0.000 3/25200 650.0 0.827 2.769 0.924 0.000 0.000 0.000 3/25200 660.0 0.814 2.727 0.909 0.000 0.000 0.000 3/25200 670.0 0.802 2.685 0.896 0.000 0.000 0.000 3/25200 680.0 0.790 2.645 0.882 0.000 0.000 0.000 3/25200 690.0 0.778 2.606 0.869 0.000 0.000 0.000 3/25200 700.0 0.767 2.568 0.856 0.000 0.000 0.000 3/25200 710.0 0.756 2.532 0.844 0.000 0.000 0.000 3/25200 720.0 0.745 2.496 0.832 0.000 0.000 0.000 3/25200 730.0 0.735 2.461 0.820 0.000 0.000 0.000 3/25200 740.0 0.725 2.428 0.809 0.000 0.000 0.000 3/25200 750.0 0.715 2.395 0.798 0.000 0.000 0.000 3/25200 760.0 0.706 2.363 0.787 0.000 0.000 0.000 3/25200 770.0 0.696 2.332 0.777 0.000 0.000 0.000 3/25200 780.0 0.687 2.302 0.767 0.000 0.000 0.000 3/25200 790.0 0.678 2.272 0.757 0.000 0.000 0.000 3/25200 800.0 0.670 2.243 0.747 0.000 0.000 0.000 3/25200 810.0 0.662 2.215 0.738 0.000 0.000 0.000 3/25200 820.0 0.653 2.188 0.729 0.000 0.000 0.000 3/25200 830.0 0.645 2.161 0.720 0.000 0.000 0.000 3/25200 840.0 0.638 2.135 0.711 0.000 0.000 0.000 3/25200 850.0 0.630 2.110 0.702 0.000 0.000 0.000 3/25200 860.0 0.623 2.085 0.694 0.000 0.000 0.000 3/25200 870.0 0.615 2.061 0.686 0.000 0.000 0.000 3/25200 880.0 0.608 2.037 0.678 0.000 0.000 0.000 3/25200 890.0 0.601 2.014 0.670 0.000 0.000 0.000 3/25200 900.0 0.595 1.992 0.663 0.000 0.000 0.000 3/25200 910.0 0.588 1.970 0.655 0.000 0.000 0.000 3/25200 920.0 0.582 1.948 0.648 0.000 0.000 0.000 3/25200 930.0 0.575 1.927 0.641 0.000 0.000 0.000 3/25200 940.0 0.569 1.906 0.634 0.000 0.000 0.000 3/25200 950.0 0.563 1.886 0.628 0.000 0.000 0.000 3/25200 960.0 0.557 1.866 0.621 0.000 0.000 0.000 3/25200 970.0 0.551 1.847 0.614 0.000 0.000 0.000 3/25200 980.0 0.546 1.828 0.608 0.000 0.000 0.000 3/25200 990.0 0.540 1.809 0.602 0.000 0.000 0.000 3/25200 1000.0 0.535 1.791 0.596 0.000 0.000 0.000 3/25200 Thermal conductivity related properties were written into "kappa-m5154.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:38:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|