----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:07:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I-4 (82) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.541533744999999 2.541533744999999 5.207870590000000 b 2.541533744999999 -2.541533744999999 5.207870590000000 c 2.541533744999999 2.541533744999999 -5.207870590000000 Atomic positions (fractional): *1 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 *2 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 *3 F 0.49299319056397 0.46542303684171 0.59962783368142 18.998 *4 F 0.23682850327074 0.79982502376053 0.85861870665439 18.998 5 F 0.53457696315829 0.13420479683971 0.02757015372226 18.998 6 F 0.10663464311744 0.50700680943603 0.97242984627774 18.998 7 F 0.86579520316029 0.89336535688256 0.40037216631858 18.998 8 F 0.20017497623947 0.05879368289387 0.43700347951021 18.998 9 F 0.94120631710613 0.37820979661635 0.14138129334561 18.998 10 F 0.62179020338366 0.76317149672926 0.56299652048979 18.998 *11 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 *12 Hf 0.25000000000000 0.75000000000000 0.50000000000000 178.490 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.083067489999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.083067489999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.415741179999999 Atomic positions (fractional): *1 Li 0.00000000000000 0.50000000000000 0.25000000000000 6.941 > 1 *2 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 2 3 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 2 *5 F 0.28602883997958 0.31359899370184 0.17939419686213 18.998 > 3 *6 F 0.71080761357209 0.14781109308230 0.08901741018844 18.998 > 4 7 F 0.81359899370184 0.21397116002042 0.32060580313787 18.998 > 5 8 F 0.18640100629816 0.78602883997958 0.32060580313787 18.998 > 6 9 F 0.71397116002042 0.68640100629816 0.17939419686213 18.998 > 7 10 F 0.64781109308230 0.78919238642791 0.41098258981156 18.998 > 8 11 F 0.28919238642791 0.85218890691770 0.08901741018844 18.998 > 9 12 F 0.35218890691770 0.21080761357209 0.41098258981156 18.998 > 10 13 F 0.78602883997958 0.81359899370184 0.67939419686213 18.998 > 3 14 F 0.21080761357209 0.64781109308230 0.58901741018844 18.998 > 4 15 F 0.31359899370184 0.71397116002042 0.82060580313787 18.998 > 5 16 F 0.68640100629816 0.28602883997958 0.82060580313787 18.998 > 6 17 F 0.21397116002042 0.18640100629816 0.67939419686213 18.998 > 7 18 F 0.14781109308230 0.28919238642791 0.91098258981156 18.998 > 8 19 F 0.78919238642791 0.35218890691770 0.58901741018844 18.998 > 9 20 F 0.85218890691770 0.71080761357209 0.91098258981156 18.998 > 10 *21 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 11 22 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 11 *23 Hf 0.50000000000000 0.00000000000000 0.25000000000000 178.490 > 12 24 Hf 0.00000000000000 0.50000000000000 0.75000000000000 178.490 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.166134979999997 0.000000000000000 0.000000000000000 b 0.000000000000000 10.166134979999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.415741179999999 Atomic positions (fractional): *1 Li 0.00000000000000 0.25000000000000 0.25000000000000 6.941 > 1 2 Li 0.50000000000000 0.25000000000000 0.25000000000000 6.941 > 1 3 Li 0.00000000000000 0.75000000000000 0.25000000000000 6.941 > 1 4 Li 0.50000000000000 0.75000000000000 0.25000000000000 6.941 > 1 *5 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 2 6 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 2 7 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 2 8 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 2 9 Li 0.25000000000000 0.00000000000000 0.75000000000000 6.941 > 1 10 Li 0.75000000000000 0.00000000000000 0.75000000000000 6.941 > 1 11 Li 0.25000000000000 0.50000000000000 0.75000000000000 6.941 > 1 12 Li 0.75000000000000 0.50000000000000 0.75000000000000 6.941 > 1 13 Li 0.25000000000000 0.25000000000000 0.50000000000000 6.941 > 2 14 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 > 2 15 Li 0.25000000000000 0.75000000000000 0.50000000000000 6.941 > 2 16 Li 0.75000000000000 0.75000000000000 0.50000000000000 6.941 > 2 *17 F 0.14301441998979 0.15679949685092 0.17939419686213 18.998 > 3 18 F 0.64301441998979 0.15679949685092 0.17939419686213 18.998 > 3 19 F 0.14301441998979 0.65679949685092 0.17939419686213 18.998 > 3 20 F 0.64301441998979 0.65679949685092 0.17939419686213 18.998 > 3 *21 F 0.35540380678605 0.07390554654115 0.08901741018844 18.998 > 4 22 F 0.85540380678605 0.07390554654115 0.08901741018844 18.998 > 4 23 F 0.35540380678605 0.57390554654115 0.08901741018844 18.998 > 4 24 F 0.85540380678605 0.57390554654115 0.08901741018844 18.998 > 4 25 F 0.40679949685092 0.10698558001021 0.32060580313787 18.998 > 5 26 F 0.90679949685092 0.10698558001021 0.32060580313787 18.998 > 5 27 F 0.40679949685092 0.60698558001021 0.32060580313787 18.998 > 5 28 F 0.90679949685092 0.60698558001021 0.32060580313787 18.998 > 5 29 F 0.09320050314908 0.39301441998979 0.32060580313787 18.998 > 6 30 F 0.59320050314908 0.39301441998979 0.32060580313787 18.998 > 6 31 F 0.09320050314908 0.89301441998979 0.32060580313787 18.998 > 6 32 F 0.59320050314908 0.89301441998979 0.32060580313787 18.998 > 6 33 F 0.35698558001021 0.34320050314908 0.17939419686213 18.998 > 7 34 F 0.85698558001021 0.34320050314908 0.17939419686213 18.998 > 7 35 F 0.35698558001021 0.84320050314908 0.17939419686213 18.998 > 7 36 F 0.85698558001021 0.84320050314908 0.17939419686213 18.998 > 7 37 F 0.32390554654115 0.39459619321395 0.41098258981156 18.998 > 8 38 F 0.82390554654115 0.39459619321395 0.41098258981156 18.998 > 8 39 F 0.32390554654115 0.89459619321395 0.41098258981156 18.998 > 8 40 F 0.82390554654115 0.89459619321395 0.41098258981156 18.998 > 8 41 F 0.14459619321395 0.42609445345885 0.08901741018844 18.998 > 9 42 F 0.64459619321395 0.42609445345885 0.08901741018844 18.998 > 9 43 F 0.14459619321395 0.92609445345885 0.08901741018844 18.998 > 9 44 F 0.64459619321395 0.92609445345885 0.08901741018844 18.998 > 9 45 F 0.17609445345885 0.10540380678605 0.41098258981156 18.998 > 10 46 F 0.67609445345885 0.10540380678605 0.41098258981156 18.998 > 10 47 F 0.17609445345885 0.60540380678605 0.41098258981156 18.998 > 10 48 F 0.67609445345885 0.60540380678605 0.41098258981156 18.998 > 10 49 F 0.39301441998979 0.40679949685092 0.67939419686213 18.998 > 3 50 F 0.89301441998979 0.40679949685092 0.67939419686213 18.998 > 3 51 F 0.39301441998979 0.90679949685092 0.67939419686213 18.998 > 3 52 F 0.89301441998979 0.90679949685092 0.67939419686213 18.998 > 3 53 F 0.10540380678605 0.32390554654115 0.58901741018844 18.998 > 4 54 F 0.60540380678605 0.32390554654115 0.58901741018844 18.998 > 4 55 F 0.10540380678605 0.82390554654115 0.58901741018844 18.998 > 4 56 F 0.60540380678605 0.82390554654115 0.58901741018844 18.998 > 4 57 F 0.15679949685092 0.35698558001021 0.82060580313787 18.998 > 5 58 F 0.65679949685092 0.35698558001021 0.82060580313787 18.998 > 5 59 F 0.15679949685092 0.85698558001021 0.82060580313787 18.998 > 5 60 F 0.65679949685092 0.85698558001021 0.82060580313787 18.998 > 5 61 F 0.34320050314908 0.14301441998979 0.82060580313787 18.998 > 6 62 F 0.84320050314908 0.14301441998979 0.82060580313787 18.998 > 6 63 F 0.34320050314908 0.64301441998979 0.82060580313787 18.998 > 6 64 F 0.84320050314908 0.64301441998979 0.82060580313787 18.998 > 6 65 F 0.10698558001021 0.09320050314908 0.67939419686213 18.998 > 7 66 F 0.60698558001021 0.09320050314908 0.67939419686213 18.998 > 7 67 F 0.10698558001021 0.59320050314908 0.67939419686213 18.998 > 7 68 F 0.60698558001021 0.59320050314908 0.67939419686213 18.998 > 7 69 F 0.07390554654115 0.14459619321395 0.91098258981156 18.998 > 8 70 F 0.57390554654115 0.14459619321395 0.91098258981156 18.998 > 8 71 F 0.07390554654115 0.64459619321395 0.91098258981156 18.998 > 8 72 F 0.57390554654115 0.64459619321395 0.91098258981156 18.998 > 8 73 F 0.39459619321395 0.17609445345885 0.58901741018844 18.998 > 9 74 F 0.89459619321395 0.17609445345885 0.58901741018844 18.998 > 9 75 F 0.39459619321395 0.67609445345885 0.58901741018844 18.998 > 9 76 F 0.89459619321395 0.67609445345885 0.58901741018844 18.998 > 9 77 F 0.42609445345885 0.35540380678605 0.91098258981156 18.998 > 10 78 F 0.92609445345885 0.35540380678605 0.91098258981156 18.998 > 10 79 F 0.42609445345885 0.85540380678605 0.91098258981156 18.998 > 10 80 F 0.92609445345885 0.85540380678605 0.91098258981156 18.998 > 10 *81 Ca 0.25000000000000 0.25000000000000 0.00000000000000 40.078 > 11 82 Ca 0.75000000000000 0.25000000000000 0.00000000000000 40.078 > 11 83 Ca 0.25000000000000 0.75000000000000 0.00000000000000 40.078 > 11 84 Ca 0.75000000000000 0.75000000000000 0.00000000000000 40.078 > 11 85 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 11 86 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 11 87 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 11 88 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 11 *89 Hf 0.25000000000000 0.00000000000000 0.25000000000000 178.490 > 12 90 Hf 0.75000000000000 0.00000000000000 0.25000000000000 178.490 > 12 91 Hf 0.25000000000000 0.50000000000000 0.25000000000000 178.490 > 12 92 Hf 0.75000000000000 0.50000000000000 0.25000000000000 178.490 > 12 93 Hf 0.00000000000000 0.25000000000000 0.75000000000000 178.490 > 12 94 Hf 0.50000000000000 0.25000000000000 0.75000000000000 178.490 > 12 95 Hf 0.00000000000000 0.75000000000000 0.75000000000000 178.490 > 12 96 Hf 0.50000000000000 0.75000000000000 0.75000000000000 178.490 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3182019 0.0000005 0.0000000 -0.0000005 2.3182019 0.0000000 0.0000000 0.0000000 2.3915093 -------------------------- Born effective charges -------------------------- 1 Li 1.2581530 0.0491952 0.0000000 -0.0491952 1.2581530 -0.0000000 0.0000000 -0.0000000 0.8629745 2 Li 1.1043449 -0.0273666 0.0000000 0.0273666 1.1043449 -0.0000000 0.0000000 -0.0000000 1.1179444 3 F -1.0290875 0.3198887 -0.0325839 0.3330957 -1.3598945 0.3511769 -0.0627149 0.3327338 -0.9920125 4 F -1.0066425 -0.0017304 0.3214369 -0.0244951 -1.0644059 0.3619054 0.2907078 0.3109780 -1.3134199 5 F -1.3598945 -0.3330957 -0.3511769 -0.3198887 -1.0290875 -0.0325839 -0.3327338 -0.0627149 -0.9920125 6 F -1.3598945 -0.3330957 0.3511769 -0.3198887 -1.0290875 0.0325839 0.3327338 0.0627149 -0.9920125 7 F -1.0290875 0.3198887 0.0325839 0.3330957 -1.3598945 -0.3511769 0.0627149 -0.3327338 -0.9920125 8 F -1.0644059 0.0244951 -0.3619054 0.0017304 -1.0066425 0.3214369 -0.3109780 0.2907078 -1.3134199 9 F -1.0066425 -0.0017304 -0.3214369 -0.0244951 -1.0644059 -0.3619054 -0.2907078 -0.3109780 -1.3134199 10 F -1.0644059 0.0244951 0.3619054 0.0017304 -1.0066425 -0.3214369 0.3109780 -0.2907078 -1.3134199 11 Ca 2.2615795 -0.0146634 0.0000000 0.0146634 2.2615795 -0.0000000 0.0000000 -0.0000000 2.6726194 12 Hf 4.2959834 -0.0262808 0.0000000 0.0262808 4.2959834 -0.0000000 0.0000000 -0.0000000 4.5681913 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 6588/6588 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1356 Number of blocks in projector: 1356 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 12 --- Eigsh_solver_block: 1 / 12 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 55 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 12 --- Block_size: 332 Use standard eigh solver. --- Eigsh_solver_block: 3 / 12 --- Block_size: 284 Use standard eigh solver. --- Eigsh_solver_block: 4 / 12 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 5 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 10 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 11 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 12 / 12 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (1356, 1327), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (172, 166), data: True |-- (284, 277), data: True |-- (332, 324), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 13), data: (560, 21) @ (21, 13) |-- (60, 55), data: True |-- (250, 242), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 400 - Time: 1.707 Solver_block: 200 / 400 - Time: 1.764 Solver_block: 300 / 400 - Time: 1.855 Solver_block: 400 / 400 - Time: 1.725 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.245 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 6588/6588 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1356 Number of blocks in projector: 1356 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 12 --- Eigsh_solver_block: 1 / 12 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 55 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 12 --- Block_size: 332 Use standard eigh solver. --- Eigsh_solver_block: 3 / 12 --- Block_size: 284 Use standard eigh solver. --- Eigsh_solver_block: 4 / 12 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 5 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 10 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 11 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 12 / 12 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (1356, 1327), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (172, 166), data: True |-- (284, 277), data: True |-- (332, 324), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 13), data: (560, 21) @ (21, 13) |-- (60, 55), data: True |-- (250, 242), data: True |-- (250, 242), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 02:07:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:07:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I-4 (82) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.541533744999999 2.541533744999999 5.207870590000000 b 2.541533744999999 -2.541533744999999 5.207870590000000 c 2.541533744999999 2.541533744999999 -5.207870590000000 Atomic positions (fractional): 1 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 2 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 3 F 0.49299319056397 0.46542303684171 0.59962783368142 18.998 4 F 0.23682850327074 0.79982502376053 0.85861870665439 18.998 5 F 0.53457696315829 0.13420479683971 0.02757015372226 18.998 6 F 0.10663464311744 0.50700680943603 0.97242984627774 18.998 7 F 0.86579520316029 0.89336535688256 0.40037216631858 18.998 8 F 0.20017497623947 0.05879368289387 0.43700347951021 18.998 9 F 0.94120631710613 0.37820979661635 0.14138129334561 18.998 10 F 0.62179020338366 0.76317149672926 0.56299652048979 18.998 11 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 12 Hf 0.25000000000000 0.75000000000000 0.50000000000000 178.490 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.166134979999997 0.000000000000000 0.000000000000000 b 0.000000000000000 10.166134979999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.415741179999999 Atomic positions (fractional): 1 Li 0.00000000000000 0.25000000000000 0.25000000000000 6.941 > 1 2 Li 0.50000000000000 0.25000000000000 0.25000000000000 6.941 > 1 3 Li 0.00000000000000 0.75000000000000 0.25000000000000 6.941 > 1 4 Li 0.50000000000000 0.75000000000000 0.25000000000000 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 5 6 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 5 7 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 5 8 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 5 9 Li 0.25000000000000 0.00000000000000 0.75000000000000 6.941 > 1 10 Li 0.75000000000000 0.00000000000000 0.75000000000000 6.941 > 1 11 Li 0.25000000000000 0.50000000000000 0.75000000000000 6.941 > 1 12 Li 0.75000000000000 0.50000000000000 0.75000000000000 6.941 > 1 13 Li 0.25000000000000 0.25000000000000 0.50000000000000 6.941 > 5 14 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 > 5 15 Li 0.25000000000000 0.75000000000000 0.50000000000000 6.941 > 5 16 Li 0.75000000000000 0.75000000000000 0.50000000000000 6.941 > 5 17 F 0.14301441998979 0.15679949685092 0.17939419686213 18.998 > 17 18 F 0.64301441998979 0.15679949685092 0.17939419686213 18.998 > 17 19 F 0.14301441998979 0.65679949685092 0.17939419686213 18.998 > 17 20 F 0.64301441998979 0.65679949685092 0.17939419686213 18.998 > 17 21 F 0.35540380678605 0.07390554654115 0.08901741018844 18.998 > 21 22 F 0.85540380678605 0.07390554654115 0.08901741018844 18.998 > 21 23 F 0.35540380678605 0.57390554654115 0.08901741018844 18.998 > 21 24 F 0.85540380678605 0.57390554654115 0.08901741018844 18.998 > 21 25 F 0.40679949685092 0.10698558001021 0.32060580313787 18.998 > 25 26 F 0.90679949685092 0.10698558001021 0.32060580313787 18.998 > 25 27 F 0.40679949685092 0.60698558001021 0.32060580313787 18.998 > 25 28 F 0.90679949685092 0.60698558001021 0.32060580313787 18.998 > 25 29 F 0.09320050314908 0.39301441998979 0.32060580313787 18.998 > 29 30 F 0.59320050314908 0.39301441998979 0.32060580313787 18.998 > 29 31 F 0.09320050314908 0.89301441998979 0.32060580313787 18.998 > 29 32 F 0.59320050314908 0.89301441998979 0.32060580313787 18.998 > 29 33 F 0.35698558001021 0.34320050314908 0.17939419686213 18.998 > 33 34 F 0.85698558001021 0.34320050314908 0.17939419686213 18.998 > 33 35 F 0.35698558001021 0.84320050314908 0.17939419686213 18.998 > 33 36 F 0.85698558001021 0.84320050314908 0.17939419686213 18.998 > 33 37 F 0.32390554654115 0.39459619321395 0.41098258981156 18.998 > 37 38 F 0.82390554654115 0.39459619321395 0.41098258981156 18.998 > 37 39 F 0.32390554654115 0.89459619321395 0.41098258981156 18.998 > 37 40 F 0.82390554654115 0.89459619321395 0.41098258981156 18.998 > 37 41 F 0.14459619321395 0.42609445345885 0.08901741018844 18.998 > 41 42 F 0.64459619321395 0.42609445345885 0.08901741018844 18.998 > 41 43 F 0.14459619321395 0.92609445345885 0.08901741018844 18.998 > 41 44 F 0.64459619321395 0.92609445345885 0.08901741018844 18.998 > 41 45 F 0.17609445345885 0.10540380678605 0.41098258981156 18.998 > 45 46 F 0.67609445345885 0.10540380678605 0.41098258981156 18.998 > 45 47 F 0.17609445345885 0.60540380678605 0.41098258981156 18.998 > 45 48 F 0.67609445345885 0.60540380678605 0.41098258981156 18.998 > 45 49 F 0.39301441998979 0.40679949685092 0.67939419686213 18.998 > 17 50 F 0.89301441998979 0.40679949685092 0.67939419686213 18.998 > 17 51 F 0.39301441998979 0.90679949685092 0.67939419686213 18.998 > 17 52 F 0.89301441998979 0.90679949685092 0.67939419686213 18.998 > 17 53 F 0.10540380678605 0.32390554654115 0.58901741018844 18.998 > 21 54 F 0.60540380678605 0.32390554654115 0.58901741018844 18.998 > 21 55 F 0.10540380678605 0.82390554654115 0.58901741018844 18.998 > 21 56 F 0.60540380678605 0.82390554654115 0.58901741018844 18.998 > 21 57 F 0.15679949685092 0.35698558001021 0.82060580313787 18.998 > 25 58 F 0.65679949685092 0.35698558001021 0.82060580313787 18.998 > 25 59 F 0.15679949685092 0.85698558001021 0.82060580313787 18.998 > 25 60 F 0.65679949685092 0.85698558001021 0.82060580313787 18.998 > 25 61 F 0.34320050314908 0.14301441998979 0.82060580313787 18.998 > 29 62 F 0.84320050314908 0.14301441998979 0.82060580313787 18.998 > 29 63 F 0.34320050314908 0.64301441998979 0.82060580313787 18.998 > 29 64 F 0.84320050314908 0.64301441998979 0.82060580313787 18.998 > 29 65 F 0.10698558001021 0.09320050314908 0.67939419686213 18.998 > 33 66 F 0.60698558001021 0.09320050314908 0.67939419686213 18.998 > 33 67 F 0.10698558001021 0.59320050314908 0.67939419686213 18.998 > 33 68 F 0.60698558001021 0.59320050314908 0.67939419686213 18.998 > 33 69 F 0.07390554654115 0.14459619321395 0.91098258981156 18.998 > 37 70 F 0.57390554654115 0.14459619321395 0.91098258981156 18.998 > 37 71 F 0.07390554654115 0.64459619321395 0.91098258981156 18.998 > 37 72 F 0.57390554654115 0.64459619321395 0.91098258981156 18.998 > 37 73 F 0.39459619321395 0.17609445345885 0.58901741018844 18.998 > 41 74 F 0.89459619321395 0.17609445345885 0.58901741018844 18.998 > 41 75 F 0.39459619321395 0.67609445345885 0.58901741018844 18.998 > 41 76 F 0.89459619321395 0.67609445345885 0.58901741018844 18.998 > 41 77 F 0.42609445345885 0.35540380678605 0.91098258981156 18.998 > 45 78 F 0.92609445345885 0.35540380678605 0.91098258981156 18.998 > 45 79 F 0.42609445345885 0.85540380678605 0.91098258981156 18.998 > 45 80 F 0.92609445345885 0.85540380678605 0.91098258981156 18.998 > 45 81 Ca 0.25000000000000 0.25000000000000 0.00000000000000 40.078 > 81 82 Ca 0.75000000000000 0.25000000000000 0.00000000000000 40.078 > 81 83 Ca 0.25000000000000 0.75000000000000 0.00000000000000 40.078 > 81 84 Ca 0.75000000000000 0.75000000000000 0.00000000000000 40.078 > 81 85 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 81 86 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 81 87 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 81 88 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 81 89 Hf 0.25000000000000 0.00000000000000 0.25000000000000 178.490 > 89 90 Hf 0.75000000000000 0.00000000000000 0.25000000000000 178.490 > 89 91 Hf 0.25000000000000 0.50000000000000 0.25000000000000 178.490 > 89 92 Hf 0.75000000000000 0.50000000000000 0.25000000000000 178.490 > 89 93 Hf 0.00000000000000 0.25000000000000 0.75000000000000 178.490 > 89 94 Hf 0.50000000000000 0.25000000000000 0.75000000000000 178.490 > 89 95 Hf 0.00000000000000 0.75000000000000 0.75000000000000 178.490 > 89 96 Hf 0.50000000000000 0.75000000000000 0.75000000000000 178.490 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3182019 0.0000005 0.0000000 -0.0000005 2.3182019 0.0000000 0.0000000 0.0000000 2.3915093 -------------------------- Born effective charges -------------------------- 1 Li 1.2581530 0.0491952 0.0000000 -0.0491952 1.2581530 -0.0000000 0.0000000 -0.0000000 0.8629745 2 Li 1.1043449 -0.0273666 0.0000000 0.0273666 1.1043449 -0.0000000 0.0000000 -0.0000000 1.1179444 3 F -1.0290875 0.3198887 -0.0325839 0.3330957 -1.3598945 0.3511769 -0.0627149 0.3327338 -0.9920125 4 F -1.0066425 -0.0017304 0.3214369 -0.0244951 -1.0644059 0.3619054 0.2907078 0.3109780 -1.3134199 5 F -1.3598945 -0.3330957 -0.3511769 -0.3198887 -1.0290875 -0.0325839 -0.3327338 -0.0627149 -0.9920125 6 F -1.3598945 -0.3330957 0.3511769 -0.3198887 -1.0290875 0.0325839 0.3327338 0.0627149 -0.9920125 7 F -1.0290875 0.3198887 0.0325839 0.3330957 -1.3598945 -0.3511769 0.0627149 -0.3327338 -0.9920125 8 F -1.0644059 0.0244951 -0.3619054 0.0017304 -1.0066425 0.3214369 -0.3109780 0.2907078 -1.3134199 9 F -1.0066425 -0.0017304 -0.3214369 -0.0244951 -1.0644059 -0.3619054 -0.2907078 -0.3109780 -1.3134199 10 F -1.0644059 0.0244951 0.3619054 0.0017304 -1.0066425 -0.3214369 0.3109780 -0.2907078 -1.3134199 11 Ca 2.2615795 -0.0146634 0.0000000 0.0146634 2.2615795 -0.0000000 0.0000000 -0.0000000 2.6726194 12 Hf 4.2959834 -0.0262808 0.0000000 0.0262808 4.2959834 -0.0000000 0.0000000 -0.0000000 4.5681913 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, 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[ 21, 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[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (zzz) -0.00000003 (zzz) -0.00000003 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000006 (xy) 0.00000006 (xy) 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 02:08:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:08:07]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I-4 (82) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.541533744999999 2.541533744999999 5.207870590000000 b 2.541533744999999 -2.541533744999999 5.207870590000000 c 2.541533744999999 2.541533744999999 -5.207870590000000 Atomic positions (fractional): 1 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 2 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 3 F 0.49299319056397 0.46542303684171 0.59962783368142 18.998 4 F 0.23682850327074 0.79982502376053 0.85861870665439 18.998 5 F 0.53457696315829 0.13420479683971 0.02757015372226 18.998 6 F 0.10663464311744 0.50700680943603 0.97242984627774 18.998 7 F 0.86579520316029 0.89336535688256 0.40037216631858 18.998 8 F 0.20017497623947 0.05879368289387 0.43700347951021 18.998 9 F 0.94120631710613 0.37820979661635 0.14138129334561 18.998 10 F 0.62179020338366 0.76317149672926 0.56299652048979 18.998 11 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 12 Hf 0.25000000000000 0.75000000000000 0.50000000000000 178.490 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.166134979999997 0.000000000000000 0.000000000000000 b 0.000000000000000 10.166134979999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.415741179999999 Atomic positions (fractional): 1 Li 0.00000000000000 0.25000000000000 0.25000000000000 6.941 > 1 2 Li 0.50000000000000 0.25000000000000 0.25000000000000 6.941 > 1 3 Li 0.00000000000000 0.75000000000000 0.25000000000000 6.941 > 1 4 Li 0.50000000000000 0.75000000000000 0.25000000000000 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 5 6 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 5 7 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 5 8 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 5 9 Li 0.25000000000000 0.00000000000000 0.75000000000000 6.941 > 1 10 Li 0.75000000000000 0.00000000000000 0.75000000000000 6.941 > 1 11 Li 0.25000000000000 0.50000000000000 0.75000000000000 6.941 > 1 12 Li 0.75000000000000 0.50000000000000 0.75000000000000 6.941 > 1 13 Li 0.25000000000000 0.25000000000000 0.50000000000000 6.941 > 5 14 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 > 5 15 Li 0.25000000000000 0.75000000000000 0.50000000000000 6.941 > 5 16 Li 0.75000000000000 0.75000000000000 0.50000000000000 6.941 > 5 17 F 0.14301441998979 0.15679949685092 0.17939419686213 18.998 > 17 18 F 0.64301441998979 0.15679949685092 0.17939419686213 18.998 > 17 19 F 0.14301441998979 0.65679949685092 0.17939419686213 18.998 > 17 20 F 0.64301441998979 0.65679949685092 0.17939419686213 18.998 > 17 21 F 0.35540380678605 0.07390554654115 0.08901741018844 18.998 > 21 22 F 0.85540380678605 0.07390554654115 0.08901741018844 18.998 > 21 23 F 0.35540380678605 0.57390554654115 0.08901741018844 18.998 > 21 24 F 0.85540380678605 0.57390554654115 0.08901741018844 18.998 > 21 25 F 0.40679949685092 0.10698558001021 0.32060580313787 18.998 > 25 26 F 0.90679949685092 0.10698558001021 0.32060580313787 18.998 > 25 27 F 0.40679949685092 0.60698558001021 0.32060580313787 18.998 > 25 28 F 0.90679949685092 0.60698558001021 0.32060580313787 18.998 > 25 29 F 0.09320050314908 0.39301441998979 0.32060580313787 18.998 > 29 30 F 0.59320050314908 0.39301441998979 0.32060580313787 18.998 > 29 31 F 0.09320050314908 0.89301441998979 0.32060580313787 18.998 > 29 32 F 0.59320050314908 0.89301441998979 0.32060580313787 18.998 > 29 33 F 0.35698558001021 0.34320050314908 0.17939419686213 18.998 > 33 34 F 0.85698558001021 0.34320050314908 0.17939419686213 18.998 > 33 35 F 0.35698558001021 0.84320050314908 0.17939419686213 18.998 > 33 36 F 0.85698558001021 0.84320050314908 0.17939419686213 18.998 > 33 37 F 0.32390554654115 0.39459619321395 0.41098258981156 18.998 > 37 38 F 0.82390554654115 0.39459619321395 0.41098258981156 18.998 > 37 39 F 0.32390554654115 0.89459619321395 0.41098258981156 18.998 > 37 40 F 0.82390554654115 0.89459619321395 0.41098258981156 18.998 > 37 41 F 0.14459619321395 0.42609445345885 0.08901741018844 18.998 > 41 42 F 0.64459619321395 0.42609445345885 0.08901741018844 18.998 > 41 43 F 0.14459619321395 0.92609445345885 0.08901741018844 18.998 > 41 44 F 0.64459619321395 0.92609445345885 0.08901741018844 18.998 > 41 45 F 0.17609445345885 0.10540380678605 0.41098258981156 18.998 > 45 46 F 0.67609445345885 0.10540380678605 0.41098258981156 18.998 > 45 47 F 0.17609445345885 0.60540380678605 0.41098258981156 18.998 > 45 48 F 0.67609445345885 0.60540380678605 0.41098258981156 18.998 > 45 49 F 0.39301441998979 0.40679949685092 0.67939419686213 18.998 > 17 50 F 0.89301441998979 0.40679949685092 0.67939419686213 18.998 > 17 51 F 0.39301441998979 0.90679949685092 0.67939419686213 18.998 > 17 52 F 0.89301441998979 0.90679949685092 0.67939419686213 18.998 > 17 53 F 0.10540380678605 0.32390554654115 0.58901741018844 18.998 > 21 54 F 0.60540380678605 0.32390554654115 0.58901741018844 18.998 > 21 55 F 0.10540380678605 0.82390554654115 0.58901741018844 18.998 > 21 56 F 0.60540380678605 0.82390554654115 0.58901741018844 18.998 > 21 57 F 0.15679949685092 0.35698558001021 0.82060580313787 18.998 > 25 58 F 0.65679949685092 0.35698558001021 0.82060580313787 18.998 > 25 59 F 0.15679949685092 0.85698558001021 0.82060580313787 18.998 > 25 60 F 0.65679949685092 0.85698558001021 0.82060580313787 18.998 > 25 61 F 0.34320050314908 0.14301441998979 0.82060580313787 18.998 > 29 62 F 0.84320050314908 0.14301441998979 0.82060580313787 18.998 > 29 63 F 0.34320050314908 0.64301441998979 0.82060580313787 18.998 > 29 64 F 0.84320050314908 0.64301441998979 0.82060580313787 18.998 > 29 65 F 0.10698558001021 0.09320050314908 0.67939419686213 18.998 > 33 66 F 0.60698558001021 0.09320050314908 0.67939419686213 18.998 > 33 67 F 0.10698558001021 0.59320050314908 0.67939419686213 18.998 > 33 68 F 0.60698558001021 0.59320050314908 0.67939419686213 18.998 > 33 69 F 0.07390554654115 0.14459619321395 0.91098258981156 18.998 > 37 70 F 0.57390554654115 0.14459619321395 0.91098258981156 18.998 > 37 71 F 0.07390554654115 0.64459619321395 0.91098258981156 18.998 > 37 72 F 0.57390554654115 0.64459619321395 0.91098258981156 18.998 > 37 73 F 0.39459619321395 0.17609445345885 0.58901741018844 18.998 > 41 74 F 0.89459619321395 0.17609445345885 0.58901741018844 18.998 > 41 75 F 0.39459619321395 0.67609445345885 0.58901741018844 18.998 > 41 76 F 0.89459619321395 0.67609445345885 0.58901741018844 18.998 > 41 77 F 0.42609445345885 0.35540380678605 0.91098258981156 18.998 > 45 78 F 0.92609445345885 0.35540380678605 0.91098258981156 18.998 > 45 79 F 0.42609445345885 0.85540380678605 0.91098258981156 18.998 > 45 80 F 0.92609445345885 0.85540380678605 0.91098258981156 18.998 > 45 81 Ca 0.25000000000000 0.25000000000000 0.00000000000000 40.078 > 81 82 Ca 0.75000000000000 0.25000000000000 0.00000000000000 40.078 > 81 83 Ca 0.25000000000000 0.75000000000000 0.00000000000000 40.078 > 81 84 Ca 0.75000000000000 0.75000000000000 0.00000000000000 40.078 > 81 85 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 81 86 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 81 87 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 81 88 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 81 89 Hf 0.25000000000000 0.00000000000000 0.25000000000000 178.490 > 89 90 Hf 0.75000000000000 0.00000000000000 0.25000000000000 178.490 > 89 91 Hf 0.25000000000000 0.50000000000000 0.25000000000000 178.490 > 89 92 Hf 0.75000000000000 0.50000000000000 0.25000000000000 178.490 > 89 93 Hf 0.00000000000000 0.25000000000000 0.75000000000000 178.490 > 89 94 Hf 0.50000000000000 0.25000000000000 0.75000000000000 178.490 > 89 95 Hf 0.00000000000000 0.75000000000000 0.75000000000000 178.490 > 89 96 Hf 0.50000000000000 0.75000000000000 0.75000000000000 178.490 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3182019 0.0000005 0.0000000 -0.0000005 2.3182019 0.0000000 0.0000000 0.0000000 2.3915093 -------------------------- Born effective charges -------------------------- 1 Li 1.2581530 0.0491952 0.0000000 -0.0491952 1.2581530 -0.0000000 0.0000000 -0.0000000 0.8629745 2 Li 1.1043449 -0.0273666 0.0000000 0.0273666 1.1043449 -0.0000000 0.0000000 -0.0000000 1.1179444 3 F -1.0290875 0.3198887 -0.0325839 0.3330957 -1.3598945 0.3511769 -0.0627149 0.3327338 -0.9920125 4 F -1.0066425 -0.0017304 0.3214369 -0.0244951 -1.0644059 0.3619054 0.2907078 0.3109780 -1.3134199 5 F -1.3598945 -0.3330957 -0.3511769 -0.3198887 -1.0290875 -0.0325839 -0.3327338 -0.0627149 -0.9920125 6 F -1.3598945 -0.3330957 0.3511769 -0.3198887 -1.0290875 0.0325839 0.3327338 0.0627149 -0.9920125 7 F -1.0290875 0.3198887 0.0325839 0.3330957 -1.3598945 -0.3511769 0.0627149 -0.3327338 -0.9920125 8 F -1.0644059 0.0244951 -0.3619054 0.0017304 -1.0066425 0.3214369 -0.3109780 0.2907078 -1.3134199 9 F -1.0066425 -0.0017304 -0.3214369 -0.0244951 -1.0644059 -0.3619054 -0.2907078 -0.3109780 -1.3134199 10 F -1.0644059 0.0244951 0.3619054 0.0017304 -1.0066425 -0.3214369 0.3109780 -0.2907078 -1.3134199 11 Ca 2.2615795 -0.0146634 0.0000000 0.0146634 2.2615795 -0.0000000 0.0000000 -0.0000000 2.6726194 12 Hf 4.2959834 -0.0262808 0.0000000 0.0262808 4.2959834 -0.0000000 0.0000000 -0.0000000 4.5681913 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (zzz) -0.00000003 (zzz) -0.00000003 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... Generalized regular grid: [ 5 10 20 ] Grid generation matrix: [ 0 10 10 ] [ 10 0 10 ] [ 5 5 0 ] 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: 0.81, Number of G-points: 297, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/156) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 156 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 3.521 ( -0.000 0.000 0.000) 0.000 3.521 ( 0.000 0.000 0.000) 0.000 4.547 ( 0.000 0.000 0.000) 0.000 4.989 ( -0.000 0.000 0.000) 0.000 5.354 ( 0.000 0.000 0.000) 0.000 5.354 ( 0.000 -0.000 0.000) 0.000 6.201 ( 0.000 0.000 0.000) 0.000 6.211 ( 0.000 -0.000 0.000) 0.000 6.211 ( 0.000 0.000 0.000) 0.000 6.552 ( 0.000 0.000 0.000) 0.000 7.424 ( 0.000 0.000 0.000) 0.000 8.006 ( 0.000 0.000 0.000) 0.000 8.619 ( 0.000 0.000 0.000) 0.000 8.619 ( 0.000 0.000 0.000) 0.000 9.355 ( 0.000 0.000 0.000) 0.000 10.208 ( 0.000 0.000 0.000) 0.000 10.208 ( -0.000 0.000 0.000) 0.000 10.266 ( -0.000 0.000 0.000) 0.000 10.844 ( 0.000 0.000 0.000) 0.000 10.844 ( 0.000 -0.000 0.000) 0.000 10.933 ( 0.000 0.000 0.000) 0.000 11.156 ( 0.000 0.000 0.000) 0.000 11.263 ( 0.000 0.000 0.000) 0.000 12.003 ( -0.000 0.000 0.000) 0.000 12.148 ( 0.000 0.000 0.000) 0.000 12.148 ( -0.000 0.000 0.000) 0.000 12.897 ( 0.000 0.000 0.000) 0.000 13.172 ( 0.000 0.000 0.000) 0.000 13.306 ( 0.000 0.000 0.000) 0.000 13.306 ( 0.000 0.000 0.000) 0.000 14.617 ( 0.000 0.000 0.000) 0.000 14.617 ( 0.000 0.000 0.000) 0.000 15.940 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 1 (2/156) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 13.331 -5.896 12.667) 19.312 1.223 ( 21.434 -1.552 13.337) 25.292 2.070 ( 32.426 2.132 19.956) 38.134 3.589 ( 2.186 -6.515 -9.602) 11.808 3.835 ( 10.028 9.816 -10.115) 17.298 4.406 ( -5.724 0.440 -4.570) 7.338 4.877 ( -2.367 -2.751 3.633) 5.135 5.458 ( 2.135 6.856 1.859) 7.418 5.658 ( 2.996 -6.885 -3.823) 8.426 6.110 ( 0.041 2.497 0.457) 2.539 6.257 ( 5.094 -0.404 -1.614) 5.358 6.509 ( -1.009 2.764 1.222) 3.186 6.738 ( 10.342 -3.596 -1.872) 11.108 7.558 ( -9.106 0.227 11.640) 14.780 7.917 ( -2.289 -1.847 1.667) 3.381 8.646 ( -0.177 2.894 -0.185) 2.905 9.001 ( 3.144 2.018 1.512) 4.030 9.455 ( -6.180 -0.557 -6.235) 8.796 9.755 ( -3.583 -3.963 -7.866) 9.509 10.113 ( -3.221 -1.169 -6.302) 7.173 10.437 ( -0.108 -1.512 -19.816) 19.874 10.650 ( -10.927 2.018 11.140) 15.734 10.933 ( -1.672 -2.295 5.550) 6.234 11.085 ( -9.399 3.407 9.705) 13.933 11.264 ( 5.478 4.373 7.624) 10.356 11.614 ( -8.855 -5.248 6.320) 12.079 12.028 ( 4.496 7.889 -3.696) 9.804 12.231 ( 6.106 -6.826 3.960) 9.978 12.702 ( 2.430 1.468 -2.499) 3.783 12.863 ( 1.132 -10.387 7.014) 12.585 13.092 ( -1.173 0.860 9.399) 9.511 13.555 ( 5.880 7.383 2.376) 9.733 14.319 ( -4.843 3.528 2.063) 6.337 14.526 ( -3.424 -1.482 -0.784) 3.812 15.745 ( -6.977 -0.723 -3.344) 7.771 17.691 ( 9.369 -0.657 -18.997) 21.192 ======================= Grid point 2 (3/156) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 6.121 -3.683 6.327) 9.542 2.059 ( 9.717 -0.502 5.768) 11.312 3.039 ( 4.639 -0.822 5.813) 7.482 3.239 ( -4.747 -0.226 -7.218) 8.642 4.084 ( 3.848 1.417 -2.201) 4.654 4.347 ( 5.392 1.455 -1.101) 5.692 4.949 ( 2.019 -0.574 -0.467) 2.150 5.482 ( 3.923 10.672 -4.828) 12.353 5.689 ( -7.379 -9.350 4.475) 12.724 6.118 ( 1.593 1.459 3.262) 3.912 6.466 ( 5.012 -0.064 1.608) 5.264 6.723 ( 5.901 -0.232 2.687) 6.488 6.964 ( 4.249 -0.972 -6.779) 8.060 7.454 ( -1.845 0.323 0.474) 1.932 7.952 ( 0.654 1.091 5.274) 5.426 8.565 ( -2.122 -0.072 -3.892) 4.433 8.982 ( -5.255 2.019 1.333) 5.785 9.258 ( 1.122 -1.947 -2.160) 3.117 9.503 ( 1.493 -1.707 -2.654) 3.491 9.891 ( -3.477 -5.305 -7.152) 9.559 10.248 ( -3.677 1.248 4.413) 5.878 10.416 ( -2.969 3.435 -1.131) 4.679 10.679 ( -6.084 -0.658 -0.166) 6.122 11.200 ( -1.356 1.887 8.936) 9.233 11.390 ( 2.364 -0.128 -6.471) 6.891 11.731 ( 2.936 -0.730 11.337) 11.734 11.966 ( -0.717 3.700 -0.594) 3.815 12.239 ( -5.636 -2.566 -7.437) 9.678 12.582 ( -1.469 -3.947 0.595) 4.253 13.045 ( 4.582 -0.659 0.642) 4.673 13.517 ( 6.521 1.996 4.737) 8.303 13.697 ( -0.497 0.053 -0.547) 0.741 14.188 ( -2.847 0.730 2.499) 3.858 14.489 ( 0.590 3.007 3.332) 4.527 15.391 ( -5.744 -2.026 -3.073) 6.822 17.663 ( 2.049 -0.263 -6.164) 6.501 ======================= Grid point 5 (4/156) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 15.175 22.462 0.000) 27.107 0.778 ( 13.752 23.793 0.000) 27.482 1.263 ( 32.995 23.487 -0.000) 40.501 3.546 ( -0.250 2.944 0.000) 2.954 4.017 ( 8.748 1.371 -0.000) 8.854 4.528 ( 0.857 -4.542 -0.000) 4.622 4.682 ( -14.761 -5.345 0.000) 15.699 5.450 ( 3.682 -3.482 -0.000) 5.068 5.808 ( -0.304 4.989 0.000) 4.999 6.169 ( 6.061 -0.867 -0.000) 6.122 6.290 ( -6.164 8.615 0.000) 10.593 6.414 ( 10.974 -3.295 -0.000) 11.458 6.609 ( -0.998 5.550 0.000) 5.639 7.446 ( 1.048 0.672 -0.000) 1.245 7.923 ( -3.927 -1.531 0.000) 4.215 8.709 ( 4.539 2.166 -0.000) 5.030 8.918 ( -2.105 -5.509 -0.000) 5.898 9.509 ( 4.369 6.013 0.000) 7.432 10.029 ( -11.354 -9.807 0.000) 15.003 10.204 ( -2.113 -0.085 0.000) 2.115 10.481 ( -13.622 -10.039 0.000) 16.922 10.728 ( 1.564 -3.234 -0.000) 3.592 10.987 ( 0.118 1.658 0.000) 1.662 11.011 ( 2.878 1.998 -0.000) 3.503 11.152 ( 2.075 -1.957 -0.000) 2.852 11.527 ( -4.775 -0.775 0.000) 4.838 11.919 ( 4.244 7.339 0.000) 8.478 12.218 ( 6.985 -2.102 -0.000) 7.295 12.476 ( 0.797 6.944 0.000) 6.990 12.909 ( -3.700 8.293 0.000) 9.082 13.101 ( -3.761 -2.896 0.000) 4.747 13.447 ( 12.707 -0.618 -0.000) 12.722 14.315 ( -3.331 -5.804 -0.000) 6.692 14.607 ( -0.977 0.028 0.000) 0.977 15.851 ( -4.584 -4.185 0.000) 6.207 17.876 ( -1.729 -0.768 0.000) 1.892 ======================= Grid point 6 (5/156) ======================= q-point: ( 0.00 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 8.653 15.774 10.019) 20.593 1.662 ( 17.812 4.330 6.997) 19.620 2.599 ( 18.306 -1.446 10.498) 21.152 3.505 ( -4.351 0.839 -6.327) 7.724 4.074 ( 0.781 -4.143 -5.663) 7.060 4.333 ( -1.617 1.791 1.385) 2.782 4.852 ( 13.533 -5.272 -6.605) 15.956 5.508 ( -0.813 -9.295 4.637) 10.419 5.676 ( -0.484 8.344 -3.804) 9.183 6.156 ( -3.979 6.845 2.085) 8.188 6.390 ( 3.377 1.485 2.407) 4.405 6.574 ( 4.452 3.437 0.813) 5.683 6.870 ( 11.590 -6.107 -7.267) 14.981 7.510 ( -2.357 4.561 4.731) 6.982 7.862 ( -0.277 0.688 4.646) 4.705 8.702 ( -1.210 2.408 -2.469) 3.655 9.034 ( -2.126 -2.810 3.090) 4.687 9.319 ( -5.203 1.831 -3.730) 6.658 9.607 ( -3.575 -2.434 -11.139) 11.950 9.930 ( -7.418 -5.680 3.202) 9.877 10.147 ( -5.778 -11.433 3.621) 13.312 10.599 ( -2.475 2.620 -5.358) 6.457 10.911 ( -4.830 5.519 -3.003) 7.925 11.089 ( -2.222 4.386 9.756) 10.924 11.310 ( 0.352 -6.750 9.820) 11.922 11.572 ( 5.449 8.348 0.416) 9.977 12.120 ( -3.715 -1.923 -4.959) 6.488 12.303 ( 1.443 5.790 2.339) 6.409 12.656 ( 2.594 -0.614 -2.153) 3.426 12.852 ( 4.105 -4.115 -1.516) 6.007 13.228 ( 10.476 3.017 5.748) 12.325 13.770 ( 2.606 4.853 -0.217) 5.513 14.204 ( -4.852 -4.561 3.496) 7.521 14.500 ( -2.533 3.949 2.085) 5.134 15.523 ( -9.473 -4.789 -1.428) 10.711 17.715 ( 0.561 -6.745 -9.442) 11.618 ======================= Grid point 7 (6/156) ======================= q-point: ( 0.00 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 3.813 12.533 5.314) 14.137 2.193 ( 3.567 0.424 -0.467) 3.622 3.003 ( -0.680 -3.696 4.507) 5.868 3.223 ( -2.136 3.237 -0.226) 3.885 4.062 ( -3.062 -4.312 2.180) 5.720 4.339 ( -3.508 -0.833 6.334) 7.288 5.000 ( 1.558 -6.855 -10.229) 12.412 5.337 ( -2.645 -6.339 -2.320) 7.250 5.770 ( 6.040 5.198 -0.797) 8.008 6.194 ( 0.844 2.042 -3.154) 3.850 6.553 ( 1.474 0.667 0.717) 1.770 6.780 ( 1.051 -0.318 1.146) 1.587 6.920 ( 0.023 -5.506 -7.626) 9.406 7.500 ( -0.856 5.082 1.156) 5.282 7.977 ( -0.432 -0.946 3.139) 3.307 8.528 ( -1.461 1.859 -0.227) 2.375 8.949 ( -3.967 2.436 5.058) 6.875 9.188 ( -0.553 -0.687 4.057) 4.152 9.523 ( -2.848 1.304 5.186) 6.059 9.828 ( 3.105 -1.615 -2.047) 4.054 10.133 ( 4.127 -6.676 -1.336) 7.961 10.417 ( -2.170 0.952 -5.333) 5.836 10.695 ( 1.047 5.767 -2.666) 6.439 11.188 ( -1.958 0.999 6.674) 7.026 11.399 ( -0.073 -1.229 -0.900) 1.525 11.821 ( 0.307 3.393 5.364) 6.354 12.013 ( 1.203 0.638 2.686) 3.011 12.093 ( -3.254 -0.442 -5.647) 6.532 12.676 ( 6.146 5.474 -5.393) 9.840 13.127 ( 2.870 0.706 -3.756) 4.779 13.534 ( 0.367 -4.255 -1.623) 4.568 13.771 ( -1.097 5.698 0.324) 5.812 14.160 ( 2.618 -0.319 2.164) 3.412 14.475 ( -3.843 -2.862 1.349) 4.978 15.281 ( -0.555 -1.827 3.107) 3.647 17.571 ( -1.819 -8.929 -1.746) 9.278 ======================= Grid point 8 (7/156) ======================= q-point: ( 0.00 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -8.228 15.306 -7.714) 19.013 1.878 ( -12.539 5.048 -9.890) 16.749 2.838 ( -13.163 -2.120 -13.302) 18.833 3.399 ( 5.798 3.456 13.274) 14.892 3.782 ( -13.262 -5.349 7.961) 16.367 4.240 ( -2.106 -0.841 3.449) 4.127 4.896 ( 1.530 -8.205 -7.881) 11.480 5.360 ( 2.807 0.560 2.791) 3.998 5.838 ( -3.310 1.855 -3.989) 5.505 6.169 ( 3.824 4.315 0.059) 5.766 6.359 ( -6.342 1.353 -4.179) 7.714 6.598 ( -7.847 2.328 -1.226) 8.276 6.819 ( -4.465 -5.508 3.163) 7.764 7.590 ( 5.452 5.901 -1.358) 8.148 7.942 ( -0.870 -0.783 -1.338) 1.777 8.567 ( 3.011 -1.197 1.319) 3.498 9.038 ( -2.018 -3.765 3.255) 5.370 9.177 ( 0.422 1.308 3.454) 3.717 9.599 ( 2.678 1.854 12.264) 12.689 10.009 ( -1.266 -4.144 2.308) 4.909 10.200 ( -2.156 4.077 5.952) 7.529 10.505 ( 13.452 -5.664 -7.638) 16.473 10.940 ( 11.441 5.913 -2.734) 13.166 11.157 ( 0.366 -2.108 -5.210) 5.632 11.338 ( -2.804 0.890 -0.572) 2.997 11.719 ( 0.113 -2.165 -8.620) 8.888 11.909 ( -0.902 -0.389 0.906) 1.336 12.375 ( 3.632 2.606 5.722) 7.261 12.790 ( -0.075 7.101 -2.737) 7.610 12.977 ( -0.687 -2.858 -3.366) 4.469 13.355 ( -5.955 -3.298 -5.313) 8.635 13.650 ( -2.442 3.135 -4.851) 6.270 14.200 ( 2.136 -4.706 -5.238) 7.359 14.492 ( 4.303 2.663 0.630) 5.099 15.520 ( 6.018 -1.837 4.910) 7.981 17.526 ( -5.358 -5.006 10.479) 12.790 ======================= Grid point 9 (8/156) ======================= q-point: ( 0.00 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -15.007 13.614 -13.871) 24.554 0.935 ( -19.034 12.737 -15.078) 27.420 1.614 ( -18.359 22.028 -31.365) 42.498 3.482 ( -3.478 -0.227 6.474) 7.353 3.782 ( -5.548 12.231 17.279) 21.885 4.452 ( 3.407 -3.972 5.214) 7.387 4.849 ( 8.221 -10.226 -11.521) 17.461 5.471 ( 2.589 4.036 -1.499) 5.024 5.626 ( -10.156 3.550 7.965) 13.386 6.105 ( -0.599 4.039 3.374) 5.297 6.286 ( -7.653 5.497 7.256) 11.893 6.450 ( 2.677 1.296 -4.371) 5.287 6.627 ( -3.758 -0.367 -0.405) 3.798 7.746 ( 9.299 -8.423 -17.674) 21.674 7.914 ( 1.612 -4.715 0.524) 5.011 8.714 ( -0.162 4.429 -0.848) 4.512 8.910 ( 0.800 -0.218 1.764) 1.950 9.493 ( -3.760 2.372 -0.297) 4.456 9.824 ( 6.947 -10.037 16.369) 20.419 10.136 ( -1.016 1.053 5.665) 5.851 10.387 ( 3.132 -2.801 18.014) 18.497 10.723 ( 6.938 -6.638 -8.225) 12.643 11.039 ( -5.603 0.382 -2.207) 6.034 11.108 ( 0.833 7.124 -5.304) 8.921 11.330 ( 9.170 -6.242 -17.984) 21.130 11.710 ( 7.376 -13.673 -9.628) 18.277 11.903 ( 0.067 3.310 -0.726) 3.389 12.307 ( -6.720 4.671 -7.276) 10.951 12.482 ( -2.295 4.017 -0.463) 4.649 12.946 ( -4.561 -7.861 -4.128) 9.982 13.169 ( 3.446 -4.502 -7.177) 9.146 13.491 ( -0.343 11.377 -4.381) 12.196 14.327 ( 6.389 -3.734 -1.198) 7.496 14.609 ( -0.003 -0.687 -0.279) 0.742 15.817 ( 3.650 -4.065 3.767) 6.636 17.504 ( -12.641 11.840 27.618) 32.600 ======================= Grid point 10 (9/156) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 13.571 15.880 0.000) 20.889 1.480 ( 8.702 24.521 0.000) 26.019 2.116 ( 18.273 11.142 -0.000) 21.402 3.631 ( 0.512 5.173 0.000) 5.198 4.167 ( -10.978 -7.524 0.000) 13.309 4.250 ( 10.601 -4.991 -0.000) 11.717 4.614 ( 2.761 3.379 0.000) 4.363 5.318 ( -3.542 -7.512 -0.000) 8.305 5.910 ( -0.838 4.983 0.000) 5.053 6.261 ( -0.144 0.221 0.000) 0.264 6.419 ( 3.588 5.508 0.000) 6.574 6.527 ( 7.513 -3.904 -0.000) 8.467 6.696 ( -0.325 5.420 0.000) 5.429 7.467 ( 1.200 -0.661 -0.000) 1.370 7.897 ( 0.260 3.702 0.000) 3.711 8.795 ( -1.953 3.587 0.000) 4.084 8.835 ( 6.686 -7.844 -0.000) 10.307 9.545 ( -12.239 -6.424 0.000) 13.823 9.721 ( 5.586 1.175 -0.000) 5.708 10.066 ( -12.610 1.061 0.000) 12.654 10.116 ( -12.808 -1.601 0.000) 12.908 10.656 ( 0.558 -5.868 -0.000) 5.894 10.996 ( 1.367 -6.312 -0.000) 6.459 11.071 ( 1.392 5.311 0.000) 5.490 11.163 ( -1.475 -1.125 0.000) 1.855 11.503 ( 9.205 1.648 -0.000) 9.351 12.150 ( 0.978 4.018 0.000) 4.135 12.341 ( 10.431 -2.378 -0.000) 10.698 12.551 ( -6.773 8.886 0.000) 11.173 12.930 ( -4.740 -3.335 0.000) 5.795 13.168 ( 6.070 13.378 0.000) 14.691 13.707 ( 12.378 0.550 -0.000) 12.390 14.066 ( -5.468 -10.380 -0.000) 11.733 14.586 ( -0.766 -0.193 0.000) 0.791 15.611 ( -8.808 -6.331 0.000) 10.847 17.749 ( -6.232 -5.197 0.000) 8.114 ======================= Grid point 11 (10/156) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 5.992 18.880 6.505) 20.849 2.031 ( 10.495 4.654 3.611) 12.035 2.745 ( 5.839 -6.348 6.185) 10.614 3.447 ( -8.081 5.910 -1.889) 10.188 3.946 ( 1.313 -6.823 -1.496) 7.108 4.312 ( -2.240 0.366 1.897) 2.958 4.976 ( 4.518 -10.422 -8.149) 13.980 5.216 ( -2.266 -11.421 1.814) 11.784 5.805 ( 1.204 6.133 -1.440) 6.413 6.246 ( 1.336 2.769 -1.393) 3.375 6.482 ( 4.603 -0.313 2.858) 5.427 6.733 ( 2.211 0.933 -2.115) 3.199 6.910 ( 7.417 -5.849 -5.752) 11.059 7.562 ( -0.632 2.997 3.852) 4.921 7.923 ( -1.720 4.818 3.363) 6.122 8.683 ( -5.101 3.050 -1.739) 6.192 8.952 ( -0.983 1.449 3.440) 3.860 9.283 ( -3.459 2.665 -1.883) 4.755 9.530 ( -1.810 -1.620 -4.674) 5.268 9.617 ( -4.905 -8.115 5.773) 11.101 10.044 ( 3.229 1.215 0.307) 3.464 10.589 ( -0.303 -0.157 -5.785) 5.795 10.932 ( -3.154 4.580 -3.595) 6.622 11.112 ( -0.621 1.271 6.932) 7.075 11.284 ( 1.178 0.481 6.613) 6.734 11.827 ( 2.205 6.853 2.755) 7.708 12.008 ( -3.571 0.828 -1.237) 3.868 12.331 ( -6.453 3.270 -3.211) 7.915 12.746 ( 6.306 0.422 -3.659) 7.303 12.948 ( 11.607 -4.631 -1.582) 12.597 13.514 ( 5.191 5.283 -2.052) 7.686 13.836 ( 1.975 -1.614 3.150) 4.053 14.042 ( -0.908 -0.732 1.890) 2.221 14.527 ( -3.707 3.432 2.371) 5.580 15.228 ( -7.674 -6.299 1.846) 10.098 17.464 ( -4.473 -14.108 -4.798) 15.558 ======================= Grid point 12 (11/156) ======================= q-point: ( 0.00 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -0.146 15.132 0.605) 15.145 2.227 ( -1.106 1.833 -5.439) 5.845 2.942 ( 2.841 -5.174 3.973) 7.115 3.248 ( -3.238 6.227 5.032) 8.636 3.785 ( -12.118 -5.398 5.947) 14.538 4.279 ( -4.213 1.031 3.111) 5.338 4.738 ( 0.768 -11.712 -3.850) 12.353 5.363 ( 6.958 -4.376 -9.572) 12.617 5.919 ( 2.521 1.028 1.270) 3.004 6.178 ( -2.596 -0.804 -3.519) 4.446 6.521 ( -0.514 -2.542 0.283) 2.609 6.745 ( -1.659 -1.577 -3.556) 4.229 6.874 ( -3.728 2.909 -6.954) 8.410 7.615 ( 2.738 5.960 3.202) 7.299 7.907 ( -2.585 -2.934 4.529) 5.984 8.493 ( -4.391 1.284 4.579) 6.473 8.917 ( -1.835 -0.120 4.074) 4.470 9.267 ( 1.935 4.631 1.185) 5.157 9.430 ( -6.277 2.506 8.085) 10.538 9.888 ( 6.378 -5.781 -1.750) 8.784 10.225 ( 9.787 -0.687 -5.476) 11.235 10.413 ( -1.654 3.591 -5.725) 6.958 10.912 ( 6.886 7.362 -0.348) 10.086 11.132 ( -1.899 -3.689 0.706) 4.209 11.378 ( -0.184 1.076 3.995) 4.142 11.830 ( -3.718 2.298 -0.192) 4.375 12.013 ( 0.507 1.123 -5.179) 5.324 12.168 ( 4.239 2.522 6.095) 7.841 12.831 ( 0.078 0.489 -0.922) 1.047 13.107 ( -0.670 -6.683 -8.385) 10.743 13.437 ( -8.057 -0.764 3.744) 8.917 13.834 ( 2.316 5.476 -3.836) 7.075 14.217 ( -2.990 -4.626 -2.377) 5.999 14.451 ( 9.120 7.100 -1.959) 11.722 15.260 ( 3.012 -4.489 6.219) 8.240 17.293 ( -2.135 -13.018 2.265) 13.385 ======================= Grid point 13 (12/156) ======================= q-point: ( 0.00 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -11.041 8.557 -11.195) 17.901 1.792 ( -14.654 12.250 -12.440) 22.793 2.615 ( -6.483 6.094 -16.945) 19.139 3.428 ( -5.004 1.099 8.528) 9.949 3.739 ( 3.082 8.141 13.962) 16.453 4.185 ( 0.405 -1.840 4.600) 4.971 4.790 ( 3.143 -5.324 -5.361) 8.183 5.469 ( 5.101 0.512 -2.874) 5.877 5.750 ( -6.617 1.300 0.563) 6.767 6.294 ( -4.702 6.231 -0.026) 7.806 6.364 ( 1.664 2.413 0.024) 2.931 6.540 ( -2.392 3.611 -1.986) 4.765 6.621 ( -4.317 -3.097 2.091) 5.709 7.782 ( -0.102 -2.069 -3.011) 3.655 7.845 ( -0.340 1.450 0.662) 1.629 8.746 ( 8.643 4.896 2.416) 10.223 8.835 ( -3.622 -6.074 4.114) 8.181 9.275 ( 1.989 2.085 10.366) 10.759 9.568 ( -2.905 -3.831 -1.348) 4.993 9.892 ( 2.363 -4.078 10.011) 11.065 10.225 ( -1.297 -0.429 -3.356) 3.623 10.608 ( 6.636 -5.132 -4.786) 9.658 11.082 ( 0.666 -4.355 0.015) 4.405 11.225 ( 5.862 -0.207 -5.879) 8.305 11.446 ( 2.833 5.877 -4.998) 8.219 11.643 ( -3.451 0.529 -2.953) 4.573 11.903 ( 0.368 0.616 -1.249) 1.441 12.514 ( 2.151 2.170 3.129) 4.373 12.703 ( -7.042 0.476 -5.593) 9.006 12.834 ( -1.793 -12.562 -0.065) 12.689 13.192 ( -1.193 1.707 -2.407) 3.183 13.789 ( -2.040 5.766 -2.883) 6.762 14.202 ( 7.000 -0.962 -6.118) 9.346 14.634 ( 0.591 2.019 -2.640) 3.376 15.541 ( 4.824 -6.616 4.440) 9.314 17.379 ( -1.286 0.292 12.533) 12.602 ======================= Grid point 15 (13/156) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 6.214 9.414 0.000) 11.280 2.062 ( 6.205 19.235 0.000) 20.211 2.458 ( 5.195 2.112 -0.000) 5.608 3.741 ( -1.368 5.394 0.000) 5.565 3.868 ( -5.994 -2.551 0.000) 6.514 4.278 ( 2.025 -5.109 -0.000) 5.495 4.740 ( 6.756 -5.754 -0.000) 8.875 5.060 ( -5.930 -7.922 -0.000) 9.896 5.936 ( -2.079 1.569 0.000) 2.605 6.253 ( -0.590 -1.879 -0.000) 1.970 6.418 ( -1.262 2.316 0.000) 2.637 6.615 ( 5.875 -8.614 -0.000) 10.427 6.827 ( 3.036 5.929 0.000) 6.661 7.509 ( 2.205 1.676 -0.000) 2.769 8.052 ( 3.891 5.949 0.000) 7.109 8.786 ( 2.263 -5.685 -0.000) 6.119 8.863 ( 2.802 3.281 0.000) 4.314 9.294 ( -6.297 -0.864 0.000) 6.356 9.759 ( -12.614 2.165 0.000) 12.799 9.862 ( -9.690 3.203 0.000) 10.206 9.966 ( 1.758 3.810 0.000) 4.196 10.553 ( 1.083 -5.517 -0.000) 5.623 10.903 ( 2.064 -5.822 -0.000) 6.177 11.148 ( 1.109 1.307 0.000) 1.714 11.218 ( 3.236 4.244 0.000) 5.338 11.770 ( 11.793 1.291 -0.000) 11.864 12.122 ( -4.640 -1.358 0.000) 4.835 12.518 ( 1.848 1.301 -0.000) 2.260 12.572 ( 1.055 4.560 0.000) 4.680 12.864 ( 1.901 1.462 -0.000) 2.398 13.597 ( 1.746 7.589 0.000) 7.787 13.724 ( -0.977 -4.130 -0.000) 4.244 13.911 ( 7.026 -0.996 -0.000) 7.096 14.578 ( 1.856 -1.446 -0.000) 2.353 15.289 ( -11.329 -4.881 0.000) 12.336 17.412 ( -11.382 -11.063 0.000) 15.873 ======================= Grid point 16 (14/156) ======================= q-point: ( 0.00 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 6.362 5.244 3.819) 9.086 2.300 ( 3.709 7.224 -1.074) 8.191 2.683 ( 2.201 -3.676 6.243) 7.572 3.434 ( -7.236 8.197 2.274) 11.168 3.805 ( -6.051 -4.542 0.900) 7.620 4.291 ( 0.283 -0.466 0.277) 0.612 4.641 ( -4.135 -11.744 -4.941) 13.396 5.112 ( 7.484 -10.665 -0.553) 13.041 5.940 ( 0.289 3.407 -0.830) 3.519 6.223 ( -1.086 -4.475 -1.396) 4.812 6.464 ( -1.781 -4.635 -0.034) 4.965 6.728 ( 5.860 -2.045 -1.735) 6.444 7.034 ( 4.550 1.409 -3.780) 6.081 7.614 ( 0.708 2.206 2.575) 3.464 7.921 ( -8.282 6.075 2.489) 10.568 8.603 ( -7.910 2.577 2.705) 8.748 9.013 ( -3.007 5.588 -1.681) 6.564 9.332 ( 0.553 -3.680 1.951) 4.202 9.368 ( 3.052 0.566 -1.299) 3.365 9.654 ( 5.932 1.950 -0.642) 6.278 10.182 ( 4.075 4.148 1.304) 5.959 10.591 ( 2.829 -3.335 -7.300) 8.510 10.964 ( 1.169 -1.609 0.884) 2.176 11.117 ( -1.756 4.067 -1.995) 4.858 11.338 ( -2.195 5.945 6.740) 9.251 11.896 ( -1.730 2.943 6.049) 6.946 12.008 ( -3.407 2.710 0.263) 4.361 12.329 ( -1.424 5.432 -5.614) 7.941 12.842 ( 4.781 -4.125 -2.719) 6.875 13.028 ( 2.407 -0.946 -2.157) 3.368 13.362 ( -6.355 -10.311 7.294) 14.139 13.943 ( 5.595 -1.086 -8.742) 10.435 14.246 ( 5.438 6.322 2.564) 8.724 14.495 ( -1.514 6.704 1.088) 6.959 15.033 ( -1.170 -4.661 3.767) 6.106 17.048 ( -4.226 -16.794 -1.904) 17.422 ======================= Grid point 17 (15/156) ======================= q-point: ( 0.00 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -6.574 2.414 -9.053) 11.446 2.358 ( -1.229 9.802 -2.658) 10.230 2.846 ( -1.131 -3.931 -2.845) 4.983 3.414 ( -0.358 6.984 6.120) 9.293 3.553 ( -2.308 4.276 11.546) 12.527 4.204 ( -2.122 -0.416 -3.455) 4.076 4.652 ( 3.864 -3.662 1.824) 5.627 5.360 ( 7.988 -9.729 -6.057) 13.969 5.877 ( -3.995 -0.687 1.147) 4.213 6.169 ( 1.668 -0.768 2.598) 3.181 6.489 ( 1.292 -3.077 -0.882) 3.452 6.702 ( -5.830 6.344 -2.087) 8.865 6.820 ( -4.700 0.965 -7.317) 8.750 7.750 ( -0.256 -4.799 1.154) 4.943 7.832 ( 0.360 6.029 7.032) 9.270 8.497 ( 1.236 2.928 9.397) 9.920 8.890 ( -3.994 3.087 -2.392) 5.586 9.316 ( -1.801 3.509 1.002) 4.070 9.492 ( 3.974 3.479 3.988) 6.618 9.833 ( -0.957 -4.611 -7.589) 8.931 10.268 ( 2.644 -6.677 -10.818) 12.985 10.533 ( 1.326 4.216 1.016) 4.535 10.938 ( -1.568 -7.529 0.720) 7.724 11.169 ( 5.583 -0.696 -0.721) 5.672 11.506 ( 4.392 7.613 5.781) 10.520 11.792 ( -4.759 1.799 -0.611) 5.124 12.067 ( -0.975 3.451 -4.875) 6.052 12.272 ( 3.456 -2.817 7.569) 8.785 12.676 ( -6.392 -4.097 -1.252) 7.694 12.927 ( -3.945 -3.172 -4.360) 6.681 13.319 ( -4.047 2.445 4.648) 6.630 13.897 ( -5.039 3.153 2.782) 6.563 14.188 ( 8.681 -4.312 -11.189) 14.804 14.761 ( 1.920 4.863 -3.661) 6.383 15.218 ( 5.898 -6.051 4.332) 9.496 17.100 ( 5.307 -6.623 4.765) 9.733 ======================= Grid point 18 (16/156) ======================= q-point: ( 0.00 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -13.717 5.915 -12.759) 19.645 1.855 ( -4.163 12.827 -12.861) 18.635 2.820 ( 2.868 12.139 -10.037) 16.009 3.358 ( -2.800 -2.342 8.051) 8.840 3.955 ( 2.849 6.701 7.073) 10.152 4.249 ( -0.070 6.443 8.035) 10.300 4.823 ( 6.149 -0.315 -2.883) 6.799 5.554 ( -1.404 2.116 1.657) 3.033 5.676 ( 1.213 -1.709 -5.376) 5.770 6.192 ( -5.100 -4.430 -0.687) 6.790 6.402 ( -3.218 6.351 0.988) 7.188 6.597 ( -1.415 6.007 -2.681) 6.729 6.732 ( 6.507 7.275 5.769) 11.338 7.595 ( -4.759 -5.177 -2.684) 7.527 7.936 ( 0.148 2.462 -2.237) 3.329 8.638 ( -2.595 -4.019 3.800) 6.110 9.028 ( 6.635 2.077 7.254) 10.047 9.285 ( -3.348 -1.990 -2.602) 4.684 9.455 ( 0.310 -0.494 2.042) 2.124 9.891 ( 2.717 -4.111 9.805) 10.974 10.194 ( 3.586 -1.135 -3.697) 5.275 10.601 ( 4.326 -7.541 -5.329) 10.197 10.887 ( -5.538 -9.952 -0.266) 11.392 11.298 ( 0.037 -2.079 -7.138) 7.435 11.361 ( -3.006 -1.094 -0.725) 3.280 11.682 ( -3.381 5.212 -7.851) 10.011 12.008 ( 3.613 1.521 5.024) 6.373 12.354 ( -7.349 -3.521 -2.483) 8.518 12.588 ( 0.280 -6.331 5.064) 8.112 12.855 ( 6.629 5.703 -2.490) 9.092 13.337 ( 3.127 8.006 -5.002) 9.945 13.758 ( -4.478 0.578 1.158) 4.661 14.294 ( 2.879 -4.559 -5.642) 7.804 14.560 ( -5.418 -0.648 -4.093) 6.821 15.473 ( 3.184 -7.551 4.033) 9.133 17.509 ( 5.481 5.473 10.606) 13.134 ======================= Grid point 19 (17/156) ======================= q-point: ( 0.00 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 17.723 12.296 -3.442) 21.843 1.727 ( 8.150 18.070 -5.752) 20.641 2.561 ( -2.495 19.884 -13.183) 23.987 3.652 ( 3.576 -6.494 12.461) 14.500 3.901 ( -3.872 9.902 3.364) 11.151 4.252 ( -2.034 -3.889 -2.857) 5.237 4.812 ( -9.338 3.735 0.867) 10.094 5.351 ( -4.975 -3.512 -4.283) 7.444 5.867 ( 6.694 3.233 6.289) 9.737 6.152 ( 4.461 -6.469 -1.951) 8.097 6.308 ( 0.758 6.862 -0.010) 6.904 6.574 ( 3.243 5.069 -3.104) 6.771 6.878 ( -7.393 6.074 3.227) 10.098 7.503 ( 4.773 -1.869 -6.625) 8.376 7.893 ( 1.323 -2.176 -2.583) 3.627 8.610 ( -0.269 -1.655 2.675) 3.157 9.003 ( -3.764 3.871 -3.570) 6.473 9.308 ( 3.373 -6.993 6.748) 10.286 9.770 ( 0.411 -1.185 4.811) 4.972 10.079 ( -2.293 -1.215 5.275) 5.878 10.326 ( -9.140 -3.185 -1.112) 9.742 10.468 ( 5.008 -5.177 11.316) 13.414 10.854 ( 2.275 -9.842 -5.916) 11.707 11.011 ( 2.289 -2.098 -7.890) 8.479 11.304 ( -1.877 5.503 -6.562) 8.767 11.530 ( -0.317 -1.371 -6.507) 6.657 12.020 ( 1.642 2.848 8.820) 9.413 12.436 ( 0.098 2.565 -0.080) 2.568 12.750 ( 6.684 -1.569 -1.079) 6.950 12.863 ( -4.065 -3.216 -6.960) 8.678 13.316 ( 6.637 11.566 0.333) 13.340 13.571 ( -0.036 4.209 -3.189) 5.281 14.106 ( -6.428 -3.762 -3.955) 8.433 14.501 ( 2.179 -4.384 0.302) 4.905 15.586 ( -2.715 -6.803 2.073) 7.613 17.731 ( -6.383 0.219 9.436) 11.394 ======================= Grid point 20 (18/156) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 0.268 2.896 0.000) 2.908 2.453 ( 5.100 6.535 0.000) 8.290 2.515 ( -1.112 4.300 0.000) 4.442 3.724 ( -8.346 4.260 0.000) 9.370 3.785 ( -1.093 -3.844 -0.000) 3.996 4.205 ( 2.033 -4.404 -0.000) 4.851 4.560 ( -2.845 -9.698 -0.000) 10.107 4.911 ( -1.169 -1.320 -0.000) 1.763 5.966 ( 4.230 -0.630 -0.000) 4.276 6.135 ( -2.849 -3.651 -0.000) 4.631 6.427 ( -3.948 -4.474 -0.000) 5.967 6.614 ( 6.807 3.797 -0.000) 7.795 6.989 ( 4.534 1.694 -0.000) 4.840 7.582 ( 1.463 1.384 -0.000) 2.014 8.197 ( -0.463 4.265 0.000) 4.290 8.717 ( -0.318 -3.396 -0.000) 3.410 8.973 ( 4.328 -3.008 -0.000) 5.271 9.181 ( -5.028 1.662 0.000) 5.296 9.574 ( -9.169 4.436 0.000) 10.186 9.840 ( -4.620 6.683 0.000) 8.124 10.126 ( 4.985 3.649 -0.000) 6.177 10.493 ( 1.475 -3.567 -0.000) 3.860 10.844 ( 2.029 -4.481 -0.000) 4.919 11.282 ( 4.684 6.326 0.000) 7.871 11.358 ( 3.429 3.259 -0.000) 4.731 11.914 ( -3.564 -0.428 0.000) 3.589 12.016 ( 7.002 -5.007 -0.000) 8.608 12.428 ( -6.365 0.169 0.000) 6.367 12.852 ( 5.164 10.888 0.000) 12.050 12.991 ( 9.168 -2.103 -0.000) 9.406 13.217 ( -12.213 -9.124 0.000) 15.245 13.887 ( -0.940 -5.863 -0.000) 5.938 14.158 ( 9.644 11.119 0.000) 14.718 14.606 ( 3.551 -1.500 -0.000) 3.855 15.049 ( -7.700 1.543 0.000) 7.853 16.925 ( -11.765 -12.414 -0.000) 17.103 ======================= Grid point 21 (19/156) ======================= q-point: ( 0.00 -0.80 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 4.945 -5.665 0.051) 7.520 2.392 ( 1.776 2.728 -4.214) 5.325 2.761 ( 1.979 2.039 8.057) 8.543 3.525 ( -1.559 11.660 4.022) 12.432 3.612 ( -7.448 1.975 2.378) 8.064 4.306 ( 2.069 -0.206 -4.615) 5.062 4.439 ( 2.648 -9.824 -2.379) 10.449 5.054 ( 6.289 -8.314 0.220) 10.427 5.897 ( -5.570 0.874 2.843) 6.314 6.153 ( 0.129 -1.263 -0.234) 1.291 6.394 ( 2.768 -3.188 -0.261) 4.231 6.797 ( 3.116 -2.775 -3.285) 5.310 7.019 ( -5.253 -1.392 -1.352) 5.600 7.655 ( 0.316 -0.003 3.634) 3.647 7.931 ( -6.013 10.108 0.280) 11.764 8.545 ( -4.623 5.046 1.152) 6.940 9.027 ( -2.510 0.412 1.530) 2.968 9.277 ( 5.724 -2.364 -0.373) 6.205 9.532 ( 3.525 4.462 -4.008) 6.957 9.793 ( 6.305 -1.863 -5.865) 8.810 10.323 ( 0.504 2.854 3.027) 4.190 10.545 ( 2.975 -5.157 -3.203) 6.760 10.846 ( -1.186 -7.821 -2.367) 8.257 11.185 ( -6.134 4.719 -3.350) 8.433 11.445 ( 0.250 6.882 7.891) 10.473 11.900 ( -3.553 1.770 3.541) 5.319 12.008 ( -1.619 0.764 5.562) 5.843 12.354 ( -1.427 0.988 -4.951) 5.246 12.794 ( -2.185 0.740 -5.284) 5.766 13.029 ( -4.008 0.450 -0.781) 4.108 13.157 ( 0.961 -2.153 9.476) 9.765 13.979 ( 8.259 -8.663 -8.030) 14.413 14.219 ( -7.460 4.770 0.060) 8.855 14.727 ( 0.712 -3.291 5.831) 6.733 15.030 ( 6.820 3.260 -2.344) 7.914 16.787 ( 6.168 -7.518 -0.141) 9.726 ======================= Grid point 22 (20/156) ======================= q-point: ( 0.00 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -9.932 2.518 -5.746) 11.747 2.353 ( -8.107 0.891 -10.266) 13.111 2.902 ( 6.066 2.619 2.416) 7.035 3.335 ( -7.381 0.983 1.523) 7.600 3.861 ( 8.928 7.250 4.929) 12.513 4.257 ( 0.491 7.259 4.609) 8.613 4.692 ( 6.620 -2.181 2.196) 7.308 5.342 ( 11.473 -11.054 -4.565) 16.573 5.805 ( -4.083 1.221 -0.254) 4.269 6.154 ( -3.903 0.804 5.875) 7.099 6.482 ( 4.621 0.492 0.135) 4.649 6.740 ( -2.819 1.732 -3.454) 4.783 6.790 ( -0.504 3.874 -1.379) 4.143 7.634 ( -3.011 -2.340 -0.543) 3.852 7.919 ( 0.791 1.027 5.709) 5.855 8.578 ( -1.859 2.320 6.714) 7.343 8.899 ( -0.767 4.245 -0.697) 4.370 9.416 ( 0.482 4.230 -2.878) 5.139 9.621 ( 1.121 1.842 -8.752) 9.014 9.700 ( -3.707 -0.395 3.560) 5.155 10.158 ( 4.298 -8.201 -12.118) 15.250 10.517 ( -3.000 -3.462 -1.830) 4.933 10.768 ( -2.867 -5.650 4.029) 7.509 11.191 ( 2.406 -2.818 3.835) 5.333 11.593 ( -5.700 -1.441 -5.948) 8.363 11.789 ( 1.852 2.766 10.274) 10.800 12.063 ( 0.164 -3.701 -2.518) 4.480 12.176 ( -2.106 -1.280 -3.674) 4.424 12.626 ( -6.801 5.650 3.274) 9.428 12.889 ( 2.679 2.814 -0.476) 3.914 13.362 ( 2.454 2.859 6.019) 7.101 13.886 ( -6.274 5.955 0.822) 8.689 14.225 ( 5.958 -7.213 -6.957) 11.658 14.645 ( -2.395 -9.679 -2.052) 10.180 15.279 ( 3.079 0.276 0.243) 3.101 17.267 ( 13.050 2.520 3.080) 13.643 ======================= Grid point 24 (21/156) ======================= q-point: ( 0.00 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 8.953 8.565 -0.651) 12.408 2.198 ( 9.248 11.428 0.321) 14.705 2.748 ( -4.955 7.614 -9.658) 13.259 3.591 ( 3.454 -4.232 10.920) 12.210 3.959 ( 0.077 -2.444 -1.186) 2.717 4.221 ( -3.271 5.157 -3.145) 6.870 4.660 ( -7.897 -2.712 0.302) 8.356 5.155 ( -7.584 -1.596 -2.646) 8.189 5.926 ( -0.151 -4.101 1.100) 4.249 6.152 ( 5.780 -1.211 0.569) 5.933 6.468 ( -0.214 4.098 0.854) 4.192 6.610 ( -7.233 1.480 -2.907) 7.935 6.854 ( 0.440 3.233 2.038) 3.847 7.576 ( 3.168 -0.192 -6.710) 7.422 7.934 ( 6.422 -1.632 0.569) 6.651 8.584 ( 2.137 -2.066 0.978) 3.129 8.993 ( -2.683 2.054 0.761) 3.464 9.403 ( 3.471 5.272 -1.636) 6.520 9.702 ( -1.161 -2.397 8.924) 9.313 10.004 ( -6.696 -4.828 4.250) 9.285 10.105 ( -4.890 4.172 3.247) 7.202 10.514 ( 5.704 -2.121 7.701) 9.816 10.737 ( 1.157 -5.611 -7.191) 9.194 10.995 ( 2.636 -2.413 -5.121) 6.245 11.395 ( 1.252 4.079 -10.431) 11.270 11.604 ( 6.463 1.062 -2.491) 7.008 12.100 ( -2.540 2.680 11.733) 12.301 12.450 ( 3.830 -2.076 2.935) 5.253 12.729 ( -3.619 -0.616 -7.160) 8.046 12.834 ( 3.829 -0.352 -1.408) 4.095 13.497 ( 4.035 -9.592 -3.444) 10.961 13.761 ( 0.335 13.184 4.142) 13.824 14.050 ( 0.516 8.986 -5.829) 10.724 14.420 ( 0.933 -7.134 0.169) 7.197 15.394 ( -5.818 -3.466 0.955) 6.840 17.465 ( -14.342 -5.552 4.496) 16.023 ======================= Grid point 25 (22/156) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 0.000 0.000 -0.000) 0.000 2.493 ( 0.000 0.000 -0.000) 0.000 2.627 ( 0.000 0.000 0.000) 0.000 3.673 ( 0.000 0.000 -0.000) 0.000 3.683 ( 0.000 0.000 -0.000) 0.000 4.198 ( 0.000 0.000 0.000) 0.000 4.434 ( 0.000 0.000 0.000) 0.000 4.889 ( 0.000 0.000 -0.000) 0.000 6.025 ( 0.000 0.000 0.000) 0.000 6.059 ( 0.000 -0.000 -0.000) 0.000 6.319 ( -0.000 -0.000 0.000) 0.000 6.756 ( 0.000 0.000 0.000) 0.000 7.050 ( 0.000 0.000 0.000) 0.000 7.610 ( 0.000 0.000 -0.000) 0.000 8.222 ( 0.000 0.000 -0.000) 0.000 8.668 ( 0.000 0.000 0.000) 0.000 8.952 ( 0.000 0.000 0.000) 0.000 9.163 ( 0.000 0.000 -0.000) 0.000 9.543 ( 0.000 0.000 0.000) 0.000 9.869 ( 0.000 0.000 0.000) 0.000 10.239 ( 0.000 0.000 0.000) 0.000 10.462 ( 0.000 0.000 0.000) 0.000 10.816 ( 0.000 0.000 0.000) 0.000 11.443 ( 0.000 -0.000 -0.000) 0.000 11.445 ( -0.000 0.000 0.000) 0.000 11.827 ( 0.000 0.000 0.000) 0.000 12.082 ( 0.000 0.000 0.000) 0.000 12.321 ( 0.000 0.000 0.000) 0.000 12.944 ( 0.000 0.000 -0.000) 0.000 13.041 ( -0.000 0.000 0.000) 0.000 13.128 ( 0.000 0.000 0.000) 0.000 13.751 ( 0.000 0.000 -0.000) 0.000 14.376 ( 0.000 0.000 -0.000) 0.000 14.627 ( -0.000 0.000 0.000) 0.000 15.029 ( 0.000 0.000 0.000) 0.000 16.639 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 27 (23/156) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( -1.401 -5.141 -2.401) 5.845 2.461 ( 1.023 -4.131 -0.804) 4.331 2.756 ( 0.719 -2.110 7.138) 7.478 3.592 ( -4.634 5.649 -3.745) 8.211 3.798 ( 3.275 9.954 2.330) 10.735 4.287 ( 1.191 -5.649 3.141) 6.572 4.430 ( 7.162 1.915 -3.476) 8.188 5.049 ( 6.560 -4.711 -0.050) 8.077 5.858 ( -2.133 3.232 2.248) 4.477 6.170 ( 0.360 1.943 2.135) 2.909 6.418 ( 2.612 0.372 -1.465) 3.018 6.678 ( 0.101 -9.565 -1.457) 9.676 6.923 ( -4.034 1.158 0.347) 4.212 7.628 ( -1.764 -0.669 4.239) 4.640 7.995 ( -6.291 6.569 -2.343) 9.392 8.585 ( -2.992 4.395 3.245) 6.229 8.981 ( 1.503 -1.842 -2.919) 3.765 9.422 ( 6.835 0.003 4.285) 8.067 9.696 ( 4.684 4.296 -2.979) 7.019 9.786 ( 1.926 -5.114 -14.826) 15.801 10.233 ( -2.986 -5.788 -1.262) 6.633 10.577 ( 0.528 0.292 4.884) 4.921 10.694 ( -1.891 -1.598 -3.429) 4.229 11.069 ( -7.878 0.801 1.302) 8.025 11.496 ( -1.577 -1.635 11.310) 11.536 11.774 ( -8.446 -1.152 -0.537) 8.541 12.013 ( 4.302 1.254 -0.462) 4.504 12.448 ( -0.143 4.913 -7.446) 8.922 12.746 ( -3.654 -0.747 1.273) 3.941 12.918 ( -4.097 -1.348 0.271) 4.322 13.279 ( 1.908 9.738 9.008) 13.402 13.929 ( 5.055 -9.963 -6.243) 12.798 14.267 ( -0.743 6.914 -0.066) 6.954 14.432 ( -8.904 -12.121 3.145) 15.365 15.231 ( 7.293 0.740 -0.846) 7.379 17.024 ( 16.454 5.249 -1.409) 17.328 ======================= Grid point 28 (24/156) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -14.364 -0.948 -2.842) 14.673 2.216 ( -2.110 -4.101 -2.943) 5.471 3.039 ( 3.103 0.764 2.996) 4.380 3.233 ( -4.591 1.592 -3.492) 5.984 4.064 ( 4.262 0.358 2.504) 4.956 4.373 ( -0.236 2.529 4.678) 5.323 4.860 ( 9.548 0.409 1.137) 9.624 5.374 ( 11.335 -8.208 -4.396) 14.669 5.748 ( -8.668 5.626 0.946) 10.377 6.114 ( 0.552 -0.681 4.131) 4.223 6.563 ( -0.778 -1.151 0.239) 1.409 6.778 ( 1.694 0.799 1.570) 2.445 6.873 ( 6.501 1.239 -2.769) 7.174 7.526 ( -5.385 -0.647 -1.491) 5.625 7.938 ( 1.285 -0.607 6.313) 6.471 8.543 ( -1.776 0.721 -1.014) 2.169 8.952 ( -2.299 1.529 2.691) 3.855 9.337 ( -5.285 -0.949 -8.785) 10.296 9.597 ( -2.767 -3.004 -0.528) 4.118 9.792 ( 0.196 10.776 -0.274) 10.781 10.191 ( 7.279 -6.419 -7.569) 12.308 10.363 ( -0.058 -1.725 0.013) 1.726 10.650 ( -3.929 1.063 1.678) 4.403 11.184 ( 0.807 -1.293 6.668) 6.839 11.454 ( -3.000 -1.992 -5.581) 6.642 11.803 ( -0.231 -2.471 12.454) 12.699 11.970 ( -0.249 -3.939 -5.136) 6.477 12.185 ( -2.618 4.961 -8.379) 10.083 12.602 ( -4.693 4.593 2.248) 6.941 13.036 ( 3.800 1.920 5.654) 7.078 13.484 ( 5.188 0.515 3.756) 6.425 13.793 ( -6.784 -1.467 -1.796) 7.169 14.191 ( 0.050 -1.644 -1.217) 2.047 14.479 ( 3.034 -6.233 1.013) 7.006 15.330 ( -0.265 2.765 -1.810) 3.315 17.566 ( 9.190 2.583 -1.201) 9.621 ======================= Grid point 51 (25/156) ======================= q-point: ( 0.05 -0.05 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( -19.598 11.446 0.000) 22.696 0.545 ( -27.470 -0.211 0.000) 27.471 0.996 ( -48.480 -4.272 0.000) 48.667 3.577 ( -5.317 2.375 0.000) 5.823 3.921 ( -0.599 -4.290 -0.000) 4.332 4.534 ( 1.969 -0.713 -0.000) 2.095 4.920 ( 5.188 4.842 -0.000) 7.097 5.372 ( -1.486 -6.826 -0.000) 6.986 5.770 ( -0.566 3.359 0.000) 3.406 6.118 ( 2.959 -3.762 -0.000) 4.786 6.241 ( -0.238 6.192 0.000) 6.197 6.413 ( -6.374 -4.131 0.000) 7.596 6.588 ( -4.313 2.167 0.000) 4.827 7.423 ( 0.180 0.047 -0.000) 0.186 7.968 ( 3.434 1.205 -0.000) 3.639 8.627 ( -0.830 -1.524 -0.000) 1.735 9.000 ( 2.761 -1.398 -0.000) 3.095 9.452 ( -7.482 0.400 0.000) 7.492 10.031 ( 12.103 2.431 -0.000) 12.345 10.326 ( -0.335 0.004 0.000) 0.335 10.674 ( 6.482 1.113 -0.000) 6.577 10.769 ( 6.179 -4.515 -0.000) 7.652 10.852 ( 2.907 -0.454 -0.000) 2.942 11.039 ( -0.678 2.120 0.000) 2.226 11.123 ( 3.351 -1.510 -0.000) 3.675 11.545 ( -11.428 3.235 0.000) 11.877 11.899 ( 0.854 1.260 0.000) 1.522 12.153 ( 0.551 -3.333 -0.000) 3.378 12.503 ( -14.747 -0.545 0.000) 14.757 12.836 ( 5.515 10.308 0.000) 11.690 13.099 ( 5.265 -2.097 -0.000) 5.667 13.398 ( -6.722 -6.511 0.000) 9.358 14.381 ( 2.776 -1.420 -0.000) 3.118 14.593 ( 2.285 0.731 -0.000) 2.399 15.896 ( 4.387 0.107 -0.000) 4.388 17.901 ( -0.681 0.526 0.000) 0.861 ======================= Grid point 52 (26/156) ======================= q-point: ( 0.05 0.15 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 10.737 -1.958 20.866) 23.548 0.806 ( 20.525 -1.371 19.400) 28.276 1.412 ( 30.713 1.495 37.320) 48.356 3.502 ( 4.782 -3.233 -7.641) 9.576 3.641 ( 11.352 4.224 -16.751) 20.672 4.491 ( -2.896 -0.275 -3.818) 4.800 5.009 ( -10.030 -1.375 8.379) 13.142 5.399 ( 3.460 4.191 0.461) 5.454 5.554 ( 8.845 -3.353 -4.829) 10.621 6.109 ( -0.588 2.904 -3.721) 4.756 6.167 ( 3.682 -2.244 -6.564) 7.854 6.480 ( 5.345 1.077 0.403) 5.468 6.605 ( 1.848 -1.398 2.500) 3.409 7.833 ( -15.178 0.548 9.951) 18.158 8.004 ( -12.647 -1.809 8.497) 15.343 8.651 ( -0.169 2.054 2.104) 2.945 8.934 ( 5.602 0.085 -5.166) 7.621 9.455 ( 3.624 -0.440 2.296) 4.313 9.912 ( -10.993 -1.828 -12.117) 16.462 10.128 ( 1.629 0.630 -11.271) 11.406 10.407 ( 4.394 0.435 -22.414) 22.845 10.835 ( -7.782 -0.154 5.191) 9.355 10.942 ( 0.181 0.104 6.759) 6.762 11.102 ( 6.441 1.207 2.488) 7.009 11.416 ( -15.555 0.909 20.153) 25.474 11.853 ( -13.865 -4.178 6.918) 16.048 11.931 ( -3.984 3.839 10.007) 11.434 12.184 ( 0.424 -2.193 3.456) 4.115 12.510 ( 10.896 2.539 0.122) 11.189 12.972 ( -9.372 -9.329 11.181) 17.317 13.180 ( -6.412 1.421 9.073) 11.200 13.434 ( 6.156 5.626 3.761) 9.148 14.412 ( -6.012 1.544 2.662) 6.754 14.589 ( -2.617 -0.662 -0.363) 2.724 15.854 ( -3.753 -0.129 -4.608) 5.944 17.315 ( 34.295 -0.388 -34.136) 48.390 ======================= Grid point 53 (27/156) ======================= q-point: ( 0.05 0.35 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 7.396 -3.231 11.786) 14.285 1.823 ( 13.859 -0.657 12.290) 18.535 2.855 ( 13.687 -0.523 11.662) 17.990 3.344 ( -4.284 -1.433 -10.502) 11.433 3.915 ( 13.381 6.185 -8.295) 16.916 4.247 ( 2.283 0.044 -5.766) 6.202 4.948 ( -2.109 -4.120 7.534) 8.842 5.417 ( 2.878 7.383 -7.085) 10.630 5.778 ( -0.624 -4.954 7.670) 9.152 6.121 ( -1.367 0.809 1.529) 2.205 6.356 ( 6.546 1.129 0.085) 6.643 6.579 ( 6.527 0.179 2.490) 6.988 6.846 ( 7.332 -3.200 -5.040) 9.455 7.534 ( -6.719 0.582 2.605) 7.230 7.939 ( 0.869 -0.401 1.987) 2.206 8.601 ( -1.787 1.651 -2.246) 3.311 9.078 ( -0.617 0.852 -6.539) 6.623 9.214 ( -1.328 3.466 3.448) 5.066 9.521 ( -2.456 -5.204 -9.685) 11.266 9.964 ( -3.801 -5.124 -8.140) 10.342 10.210 ( 5.008 2.013 -4.289) 6.894 10.621 ( -12.205 4.479 8.973) 15.797 10.841 ( -11.302 -3.005 2.181) 11.896 11.216 ( -0.521 4.545 9.284) 10.350 11.351 ( 1.314 1.015 -4.487) 4.785 11.697 ( -0.220 -3.660 10.814) 11.419 11.983 ( -0.449 5.784 -2.167) 6.193 12.315 ( -1.130 -3.039 -2.962) 4.392 12.636 ( -3.060 -5.590 -0.180) 6.375 12.972 ( 1.231 -3.936 2.960) 5.076 13.376 ( 6.651 -0.307 8.881) 11.100 13.681 ( 1.932 3.453 1.776) 4.337 14.282 ( -5.861 3.501 3.965) 7.895 14.481 ( 0.201 1.700 1.195) 2.088 15.520 ( -6.869 -1.493 -5.244) 8.770 17.571 ( 7.648 -0.537 -11.029) 13.432 ======================= Grid point 54 (28/156) ======================= q-point: ( 0.05 -0.45 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -2.844 2.639 -0.837) 3.970 2.194 ( -3.841 0.463 1.421) 4.122 3.052 ( 1.404 1.365 -2.843) 3.452 3.191 ( 1.215 -0.109 0.997) 1.575 4.101 ( 1.526 0.049 -2.999) 3.366 4.366 ( 4.340 1.056 -6.349) 7.763 5.006 ( -3.252 -4.900 7.554) 9.573 5.516 ( 4.917 9.064 -1.173) 10.378 5.620 ( -6.018 -8.085 3.948) 10.824 6.156 ( -1.433 -2.341 -1.571) 3.163 6.536 ( -1.425 0.354 0.001) 1.468 6.783 ( -0.315 0.156 -1.596) 1.635 6.992 ( 1.668 -1.503 4.800) 5.299 7.440 ( -0.051 1.094 0.587) 1.243 7.972 ( -1.159 -1.511 -5.390) 5.716 8.520 ( 1.819 0.629 2.151) 2.886 8.916 ( 1.579 0.166 -5.140) 5.380 9.241 ( 1.382 4.128 1.716) 4.679 9.538 ( 0.201 2.512 -2.319) 3.425 9.814 ( 3.775 -1.702 2.476) 4.825 10.233 ( -6.120 2.044 2.111) 6.789 10.407 ( 2.229 -1.484 2.544) 3.693 10.622 ( -1.454 -1.348 2.282) 3.023 11.178 ( 0.552 0.414 -8.187) 8.216 11.422 ( -0.606 0.965 5.629) 5.744 11.782 ( -1.557 0.188 -8.356) 8.502 11.985 ( -3.271 -1.549 -2.107) 4.188 12.130 ( 4.772 2.695 7.937) 9.645 12.589 ( -2.095 -2.745 3.385) 4.836 13.090 ( 0.938 -2.180 -2.186) 3.227 13.610 ( -2.952 -3.936 -0.880) 4.998 13.673 ( 1.379 2.568 0.598) 2.976 14.178 ( -1.528 1.193 0.555) 2.016 14.509 ( -1.441 0.181 -2.225) 2.657 15.311 ( 2.052 1.360 -0.269) 2.476 17.660 ( 2.242 -0.145 1.548) 2.729 ======================= Grid point 55 (29/156) ======================= q-point: ( 0.05 -0.25 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -12.270 7.949 -7.792) 16.567 1.633 ( -19.818 1.530 -7.288) 21.171 2.602 ( -20.706 -1.195 -11.996) 23.960 3.545 ( 6.268 4.772 9.254) 12.153 4.045 ( -9.315 -6.822 4.945) 12.560 4.290 ( 4.664 -2.026 -2.374) 5.612 4.930 ( -7.070 -0.102 6.438) 9.563 5.477 ( -0.058 -8.815 -3.730) 9.572 5.704 ( -1.684 8.979 2.876) 9.578 6.083 ( 2.947 0.692 -1.669) 3.457 6.341 ( -3.856 -2.984 -2.312) 5.396 6.539 ( -4.923 -0.008 -2.477) 5.511 6.950 ( -10.257 0.798 5.006) 11.442 7.452 ( 2.518 -0.387 -4.215) 4.925 7.869 ( 2.730 1.044 -4.677) 5.515 8.648 ( -0.333 -2.871 2.231) 3.652 9.054 ( 0.111 -0.881 -3.750) 3.854 9.279 ( 7.258 -0.917 5.206) 8.979 9.698 ( 4.548 5.619 7.780) 10.620 10.047 ( 2.240 5.530 3.281) 6.809 10.344 ( 11.408 5.854 -3.360) 13.255 10.504 ( 0.567 -5.856 7.001) 9.145 10.833 ( 6.867 -1.599 1.171) 7.148 11.016 ( -0.093 -2.385 -8.836) 9.153 11.378 ( -5.026 -4.068 -12.473) 14.049 11.499 ( 2.566 3.692 0.594) 4.535 12.042 ( 1.453 -5.001 2.859) 5.940 12.366 ( -3.816 7.646 2.317) 8.854 12.647 ( 2.815 0.452 1.467) 3.206 12.917 ( -2.286 0.654 -3.490) 4.223 13.212 ( -11.542 2.102 -6.927) 13.624 13.657 ( -4.180 -6.170 -0.813) 7.497 14.211 ( 5.605 -3.589 -3.008) 7.303 14.466 ( 2.587 0.828 -0.405) 2.747 15.591 ( 8.296 1.901 2.307) 8.818 17.791 ( -1.952 0.527 10.281) 10.478 ======================= Grid point 57 (30/156) ======================= q-point: ( 0.05 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 7.908 20.691 12.156) 25.267 1.293 ( 19.320 8.351 11.417) 23.945 2.139 ( 27.380 4.879 17.643) 32.935 3.517 ( 2.184 -0.253 -6.927) 7.267 4.002 ( 8.316 5.106 -12.223) 15.640 4.368 ( -3.255 -4.382 -7.073) 8.935 4.723 ( -1.235 -7.525 8.867) 11.695 5.504 ( 0.486 -6.516 3.237) 7.292 5.674 ( 1.162 9.879 -6.420) 11.839 6.206 ( 2.164 4.664 0.191) 5.145 6.310 ( 2.019 5.965 0.026) 6.297 6.566 ( -0.669 2.342 -0.634) 2.517 6.633 ( 9.845 -5.345 -2.399) 11.457 7.590 ( -6.064 2.354 10.832) 12.635 7.869 ( -0.775 -1.868 1.118) 2.311 8.730 ( -1.472 4.153 0.277) 4.415 8.978 ( 5.441 -4.528 0.359) 7.088 9.472 ( -6.764 1.972 -4.511) 8.366 9.657 ( -3.908 -4.490 -13.745) 14.979 10.090 ( -6.528 -1.117 0.770) 6.668 10.278 ( -7.063 -11.345 -4.535) 14.113 10.641 ( -2.154 -1.870 -1.001) 3.023 10.993 ( -3.223 5.681 2.938) 7.162 11.167 ( -4.975 2.265 10.078) 11.465 11.298 ( 3.159 -2.422 9.810) 10.587 11.515 ( -3.097 -0.418 3.059) 4.373 12.041 ( 9.105 -4.373 -5.194) 11.358 12.321 ( -2.141 13.294 2.711) 13.736 12.595 ( 4.242 -8.086 8.383) 12.396 12.848 ( -1.688 4.571 -5.136) 7.080 13.099 ( 0.414 0.011 7.465) 7.477 13.680 ( 6.945 4.540 1.779) 8.486 14.273 ( -2.508 -7.010 2.203) 7.765 14.563 ( -3.410 3.348 0.831) 4.851 15.697 ( -7.820 -3.940 -2.640) 9.146 17.666 ( 4.843 -1.632 -16.204) 16.991 ======================= Grid point 58 (31/156) ======================= q-point: ( 0.05 0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 5.833 12.677 9.442) 16.849 2.070 ( 8.772 1.858 6.821) 11.266 2.985 ( 4.206 -4.524 5.396) 8.202 3.279 ( -4.159 4.162 -4.855) 7.628 4.050 ( 3.421 -4.922 -1.388) 6.152 4.356 ( 2.198 -0.525 -0.402) 2.296 4.896 ( 6.940 -4.104 -8.480) 11.701 5.488 ( -9.620 -10.809 3.701) 14.935 5.672 ( 3.505 7.649 -0.694) 8.443 6.161 ( 1.329 3.125 -0.002) 3.396 6.496 ( 3.874 2.295 0.994) 4.611 6.722 ( 5.011 -0.285 2.682) 5.691 6.863 ( 5.449 -6.342 -8.646) 12.028 7.527 ( -2.098 5.327 1.651) 5.959 7.971 ( 1.067 0.445 3.409) 3.600 8.569 ( -2.858 1.799 -3.416) 4.804 9.025 ( -2.497 -0.250 -0.079) 2.511 9.228 ( -3.072 0.860 1.868) 3.697 9.494 ( 3.371 0.483 2.096) 3.999 9.827 ( -1.890 -1.775 -4.885) 5.530 10.141 ( -3.432 -10.063 5.548) 11.992 10.472 ( -4.510 2.193 -1.941) 5.377 10.737 ( -4.978 5.852 -3.192) 8.319 11.237 ( -3.068 1.188 7.827) 8.490 11.384 ( 1.604 0.293 -0.487) 1.701 11.778 ( 3.961 5.266 7.481) 9.969 12.008 ( -0.753 -0.498 0.366) 0.974 12.216 ( -8.264 0.572 -5.260) 9.813 12.577 ( 3.481 3.384 -4.531) 6.641 13.001 ( 8.360 -3.778 -2.054) 9.401 13.484 ( 5.385 -3.566 1.676) 6.673 13.771 ( 0.921 6.368 -1.476) 6.601 14.185 ( -4.906 -1.861 4.894) 7.175 14.540 ( -2.099 2.200 4.184) 5.172 15.340 ( -5.321 -3.056 -0.826) 6.191 17.575 ( 1.474 -8.378 -6.153) 10.499 ======================= Grid point 59 (32/156) ======================= q-point: ( 0.05 -0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -5.567 15.701 -2.171) 16.800 2.088 ( -8.702 2.658 -3.912) 9.904 3.015 ( -4.459 -3.221 -6.700) 8.669 3.284 ( 4.425 4.066 9.929) 11.606 4.005 ( -7.353 -5.866 3.705) 10.110 4.321 ( -5.527 -0.804 -0.271) 5.592 4.873 ( 0.858 -8.587 -4.840) 9.894 5.311 ( 1.121 -5.749 1.630) 6.080 5.846 ( 3.059 6.034 -2.045) 7.067 6.105 ( 0.982 0.679 -3.010) 3.238 6.487 ( -5.960 1.158 -2.896) 6.727 6.743 ( -5.127 1.735 -2.989) 6.183 6.869 ( -1.105 -8.552 4.239) 9.608 7.528 ( 1.196 6.301 0.702) 6.452 7.940 ( 0.600 -0.195 -4.722) 4.764 8.543 ( -0.116 -1.467 2.244) 2.684 8.992 ( 3.129 1.710 1.817) 4.002 9.282 ( -6.133 1.550 2.973) 6.989 9.551 ( 0.603 2.309 8.707) 9.028 9.997 ( 5.297 2.153 5.773) 8.125 10.156 ( 5.255 -4.335 -2.315) 7.195 10.341 ( 0.281 -2.887 -0.165) 2.906 10.744 ( 8.015 5.489 -2.597) 10.055 11.163 ( -0.728 -2.466 -6.217) 6.728 11.401 ( -3.258 1.771 3.939) 5.410 11.744 ( -2.577 -0.698 -11.861) 12.158 11.928 ( -1.140 0.329 4.146) 4.312 12.286 ( 5.120 2.015 8.425) 10.063 12.710 ( 5.900 7.500 -3.868) 10.297 13.026 ( -2.486 -2.604 -6.071) 7.058 13.467 ( -3.566 -0.887 -1.248) 3.881 13.716 ( -4.341 1.241 -1.506) 4.760 14.183 ( -0.231 -0.042 -4.165) 4.172 14.426 ( 1.402 -2.895 -0.244) 3.226 15.408 ( 5.033 -0.617 3.850) 6.366 17.584 ( -0.833 -8.047 5.750) 9.925 ======================= Grid point 60 (33/156) ======================= q-point: ( 0.05 -0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -14.390 17.080 -6.659) 23.305 1.352 ( -20.012 10.894 -10.433) 25.060 2.084 ( -26.757 4.815 -20.695) 34.168 3.616 ( -8.611 -4.933 6.628) 11.933 3.822 ( 0.807 10.193 13.196) 16.694 4.356 ( 5.877 -4.539 3.036) 8.022 4.768 ( 0.160 -9.053 -6.552) 11.176 5.416 ( 2.973 -0.817 -3.648) 4.776 5.779 ( -5.722 4.891 7.377) 10.540 6.155 ( -4.089 6.154 1.352) 7.511 6.310 ( 4.297 4.478 -0.013) 6.207 6.475 ( -4.670 0.096 -0.334) 4.683 6.742 ( -7.195 -3.288 0.978) 7.971 7.583 ( 6.311 2.194 -11.669) 13.446 7.912 ( -0.156 -2.159 -0.345) 2.192 8.662 ( 3.518 4.499 1.341) 5.866 8.929 ( -2.575 -4.260 -2.851) 5.736 9.488 ( 7.668 2.063 9.140) 12.108 9.736 ( -1.518 -5.953 4.549) 7.644 10.132 ( 2.584 -0.244 8.920) 9.290 10.336 ( 0.592 -9.512 7.249) 11.974 10.602 ( 6.217 -1.427 -2.096) 6.714 11.032 ( 5.922 3.090 -8.716) 10.981 11.098 ( 6.626 5.050 -3.603) 9.077 11.197 ( -3.488 -0.328 -7.454) 8.236 11.590 ( 4.671 -6.003 -9.266) 11.988 11.959 ( -3.673 0.695 7.899) 8.739 12.367 ( -3.161 6.055 -8.597) 10.980 12.656 ( -9.584 -2.794 0.705) 10.008 12.980 ( 4.682 -1.106 -1.833) 5.148 13.133 ( -4.538 1.820 -4.931) 6.944 13.507 ( -2.043 7.183 -4.493) 8.715 14.208 ( 5.833 -6.028 -1.908) 8.602 14.576 ( 2.985 2.197 0.123) 3.708 15.717 ( 6.202 -3.760 2.748) 7.756 17.681 ( -5.311 -1.763 16.317) 17.250 ======================= Grid point 61 (34/156) ======================= q-point: ( 0.05 -0.05 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 16.783 16.525 -0.000) 23.553 1.231 ( 15.669 22.224 0.000) 27.192 1.862 ( 5.306 32.637 0.000) 33.066 3.679 ( -5.887 9.466 0.000) 11.147 3.986 ( 12.605 -4.213 -0.000) 13.290 4.348 ( -6.147 -10.126 -0.000) 11.845 4.728 ( -12.310 5.775 0.000) 13.598 5.365 ( -0.122 -4.307 -0.000) 4.309 5.892 ( 3.187 3.695 0.000) 4.879 6.192 ( 7.440 2.048 -0.000) 7.717 6.300 ( 4.935 -3.990 -0.000) 6.346 6.430 ( 1.074 3.352 0.000) 3.520 6.763 ( -2.973 8.963 0.000) 9.444 7.433 ( 1.964 -1.388 -0.000) 2.405 7.906 ( -0.550 -0.973 -0.000) 1.117 8.685 ( 5.759 -2.771 -0.000) 6.391 8.885 ( -5.370 1.781 0.000) 5.657 9.602 ( 5.166 -4.250 -0.000) 6.690 9.766 ( -7.852 -4.873 0.000) 9.241 10.268 ( -5.379 0.446 0.000) 5.397 10.321 ( -8.640 -6.116 0.000) 10.585 10.686 ( -4.340 -0.494 0.000) 4.368 10.915 ( 6.330 -6.359 -0.000) 8.973 11.028 ( 4.901 -6.444 -0.000) 8.095 11.116 ( 1.956 3.106 0.000) 3.671 11.487 ( -5.863 -1.577 0.000) 6.072 12.133 ( 3.796 5.219 0.000) 6.454 12.179 ( 2.577 6.403 0.000) 6.902 12.665 ( -4.380 8.286 0.000) 9.372 12.961 ( 1.275 -7.441 -0.000) 7.550 13.092 ( 7.252 8.404 0.000) 11.101 13.462 ( 6.004 2.724 -0.000) 6.593 14.189 ( -6.525 -6.833 -0.000) 9.448 14.577 ( 1.650 -2.770 -0.000) 3.224 15.742 ( -4.287 -6.591 -0.000) 7.863 17.865 ( -4.940 -0.859 0.000) 5.014 ======================= Grid point 62 (35/156) ======================= q-point: ( 0.05 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 6.125 19.496 5.491) 21.160 1.807 ( 12.120 11.516 7.540) 18.341 2.560 ( 12.692 -1.843 9.458) 15.936 3.569 ( -2.803 5.196 -5.114) 7.811 3.941 ( -2.679 -7.179 -4.190) 8.733 4.333 ( 0.894 -2.194 -1.408) 2.756 4.771 ( 11.249 -3.118 -4.520) 12.518 5.314 ( -3.911 -10.180 5.558) 12.241 5.821 ( -1.994 6.317 -3.432) 7.461 6.268 ( -3.024 2.959 0.978) 4.343 6.400 ( 2.468 -0.009 1.712) 3.004 6.662 ( 4.789 4.271 -2.326) 6.826 6.746 ( 8.798 -5.177 -4.446) 11.134 7.588 ( -1.850 2.587 7.873) 8.491 7.911 ( 2.287 4.531 0.331) 5.086 8.752 ( -2.495 3.152 -1.561) 4.312 8.942 ( 3.107 -6.612 -0.225) 7.309 9.329 ( -4.717 -0.452 -0.833) 4.811 9.599 ( -3.091 0.444 -12.600) 12.981 9.828 ( -13.773 -3.045 7.292) 15.879 10.016 ( -1.227 -1.581 1.682) 2.614 10.601 ( -0.442 -1.770 -4.421) 4.782 10.994 ( -3.282 1.021 -1.509) 3.753 11.125 ( -0.195 -1.586 6.239) 6.440 11.265 ( -0.041 3.425 9.814) 10.395 11.728 ( 7.802 6.649 2.724) 10.606 12.055 ( 0.551 -2.685 -7.333) 7.829 12.451 ( -4.971 5.383 0.681) 7.359 12.619 ( 5.118 -1.386 3.888) 6.575 12.804 ( 1.487 -0.371 -4.325) 4.588 13.338 ( 10.379 8.551 -1.038) 13.488 13.836 ( 0.327 1.676 1.194) 2.084 14.060 ( -0.625 -9.224 4.256) 10.178 14.579 ( -1.704 3.287 2.631) 4.542 15.411 ( -10.117 -6.371 -0.246) 11.959 17.549 ( -4.195 -9.624 -7.677) 13.006 ======================= Grid point 63 (36/156) ======================= q-point: ( 0.05 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 4.254 14.536 4.495) 15.798 2.222 ( 1.714 3.370 2.019) 4.286 2.902 ( 1.026 -6.241 5.017) 8.072 3.322 ( -3.660 6.645 0.924) 7.642 3.943 ( -2.924 -6.743 1.419) 7.486 4.340 ( -1.364 0.098 4.516) 4.718 4.779 ( -4.432 -13.555 -7.629) 16.173 5.223 ( 5.213 -6.697 -5.731) 10.240 5.851 ( 3.534 3.863 0.789) 5.295 6.230 ( -1.248 0.825 -3.175) 3.510 6.522 ( 0.421 -3.365 -0.519) 3.431 6.740 ( 1.095 -3.514 -3.014) 4.757 6.892 ( 2.121 2.566 -4.540) 5.629 7.589 ( -0.109 3.898 1.604) 4.216 7.954 ( -2.000 -0.796 2.536) 3.327 8.597 ( -4.564 4.578 1.541) 6.646 8.961 ( -2.167 -0.900 2.073) 3.131 9.235 ( -0.496 4.672 4.800) 6.717 9.562 ( -3.448 -0.089 5.950) 6.877 9.712 ( 6.823 -7.086 2.109) 10.061 10.077 ( 5.554 1.376 -4.379) 7.205 10.458 ( -2.656 2.799 -4.792) 6.152 10.825 ( 1.406 6.858 -3.365) 7.767 11.178 ( -2.306 -3.129 1.218) 4.073 11.402 ( -1.864 2.715 7.230) 7.944 11.897 ( -2.409 4.194 1.968) 5.222 12.002 ( 0.582 -0.572 -0.915) 1.226 12.128 ( -0.886 3.330 -2.033) 4.000 12.786 ( 4.211 5.113 -2.433) 7.057 13.057 ( 5.699 -7.500 -6.460) 11.421 13.523 ( 0.661 2.018 -1.119) 2.400 13.840 ( -4.271 0.237 -0.058) 4.278 14.185 ( 8.374 3.736 2.941) 9.629 14.424 ( -8.107 -1.226 -1.215) 8.289 15.228 ( 0.079 -3.791 5.120) 6.371 17.329 ( -1.506 -15.062 -1.757) 15.239 ======================= Grid point 64 (37/156) ======================= q-point: ( 0.05 -0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -9.396 9.415 -7.459) 15.250 2.042 ( -9.811 11.667 -6.014) 16.387 2.783 ( -9.222 -3.101 -12.114) 15.537 3.463 ( 3.050 3.264 10.575) 11.480 3.745 ( -6.355 1.042 11.087) 12.821 4.208 ( -2.309 -2.405 0.879) 3.448 4.740 ( 2.393 -5.749 -3.421) 7.105 5.350 ( 6.784 -2.757 -5.096) 8.922 5.872 ( -5.231 1.513 0.574) 5.475 6.228 ( 6.606 1.108 1.350) 6.833 6.415 ( -4.443 3.813 -4.790) 7.564 6.641 ( -4.744 -1.611 -1.972) 5.384 6.708 ( -4.972 -0.572 1.460) 5.213 7.725 ( 4.036 6.146 -2.359) 7.722 7.901 ( -3.269 -2.272 1.570) 4.280 8.587 ( 5.492 3.601 4.050) 7.716 8.930 ( -4.476 -6.117 1.740) 7.777 9.263 ( -1.528 5.841 5.716) 8.314 9.584 ( 1.077 -3.256 5.754) 6.699 9.895 ( -1.787 -5.292 3.739) 6.721 10.212 ( 2.698 -5.354 -6.419) 8.783 10.482 ( 6.351 3.925 1.889) 7.701 11.018 ( 5.997 -0.667 -4.086) 7.287 11.114 ( 4.162 -0.431 -3.128) 5.224 11.421 ( -0.910 6.812 -0.270) 6.878 11.700 ( -2.265 2.187 -5.628) 6.449 11.919 ( -1.331 0.803 -0.509) 1.635 12.424 ( 5.077 2.158 5.742) 7.962 12.812 ( -1.817 -4.263 1.281) 4.808 12.886 ( -3.719 -6.404 -9.077) 11.714 13.324 ( -10.830 2.949 4.002) 11.916 13.800 ( 1.424 9.102 -4.131) 10.096 14.090 ( 2.677 -6.238 -7.163) 9.868 14.573 ( 5.546 5.151 -1.907) 7.805 15.438 ( 5.130 -6.488 3.587) 9.016 17.390 ( 0.350 -8.334 9.139) 12.373 ======================= Grid point 66 (38/156) ======================= q-point: ( 0.05 -0.05 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 11.045 13.050 0.000) 17.097 1.900 ( 11.215 17.600 0.000) 20.870 2.390 ( 0.866 15.174 0.000) 15.198 3.742 ( -2.190 4.087 0.000) 4.637 4.000 ( -1.859 -6.035 -0.000) 6.315 4.188 ( 4.946 -2.886 -0.000) 5.726 4.676 ( -2.955 2.010 0.000) 3.574 5.183 ( -6.195 -5.880 0.000) 8.541 5.983 ( -2.139 1.787 0.000) 2.787 6.207 ( 5.111 -4.249 -0.000) 6.647 6.477 ( 6.368 0.569 -0.000) 6.393 6.507 ( -3.108 2.055 0.000) 3.726 6.806 ( -2.212 5.218 0.000) 5.668 7.462 ( 2.489 0.555 -0.000) 2.550 7.952 ( 5.168 1.214 -0.000) 5.309 8.690 ( 4.522 -6.062 -0.000) 7.562 8.892 ( -3.218 6.065 0.000) 6.866 9.401 ( -2.564 -5.054 -0.000) 5.667 9.800 ( 1.505 3.328 0.000) 3.653 10.041 ( -7.386 -2.218 0.000) 7.711 10.154 ( -13.900 3.337 0.000) 14.295 10.565 ( -2.865 -3.160 -0.000) 4.265 10.841 ( 3.927 -7.879 -0.000) 8.803 11.061 ( 8.602 -6.992 -0.000) 11.085 11.185 ( -0.127 4.412 0.000) 4.413 11.542 ( 8.391 2.160 -0.000) 8.665 12.234 ( -5.983 4.219 0.000) 7.321 12.347 ( 9.252 2.452 -0.000) 9.571 12.658 ( -5.225 1.683 0.000) 5.490 12.872 ( 0.291 -2.343 -0.000) 2.361 13.474 ( 5.285 17.257 0.000) 18.048 13.667 ( 12.647 -6.424 -0.000) 14.185 13.907 ( -8.354 -2.808 0.000) 8.814 14.540 ( 1.745 -4.499 -0.000) 4.825 15.490 ( -8.411 -5.527 0.000) 10.065 17.641 ( -11.332 -5.977 0.000) 12.812 ======================= Grid point 67 (39/156) ======================= q-point: ( 0.05 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 5.538 5.546 2.018) 8.093 2.227 ( 3.871 14.101 5.071) 15.477 2.629 ( 3.526 -4.083 6.315) 8.306 3.585 ( -7.560 7.714 -0.944) 10.842 3.844 ( 0.815 -3.386 -1.123) 3.660 4.275 ( 1.312 -4.603 -1.853) 5.132 4.746 ( -3.156 -12.364 -4.999) 13.704 5.025 ( -0.394 -7.111 2.700) 7.617 5.912 ( 1.283 4.372 -1.372) 4.759 6.239 ( -0.942 -3.101 0.462) 3.273 6.467 ( 3.010 -1.436 -0.402) 3.359 6.645 ( 1.594 -6.171 -0.972) 6.447 6.913 ( 6.778 3.708 -1.965) 7.972 7.608 ( -0.089 1.851 4.680) 5.033 8.043 ( -2.831 7.119 -1.071) 7.736 8.730 ( -4.737 -0.428 -0.677) 4.804 8.982 ( 6.835 2.220 -1.067) 7.265 9.264 ( 0.941 -5.621 1.327) 5.852 9.460 ( -9.747 2.696 -2.651) 10.455 9.651 ( -4.381 4.500 0.572) 6.306 10.097 ( 4.311 3.656 0.345) 5.663 10.557 ( 0.483 -2.348 -1.933) 3.079 10.947 ( 1.112 -3.929 -0.092) 4.084 11.129 ( 0.154 2.613 -1.034) 2.814 11.363 ( -0.185 5.812 8.245) 10.089 11.921 ( -0.220 2.581 2.650) 3.706 12.051 ( 1.425 2.357 -1.123) 2.974 12.379 ( -5.269 0.738 -5.488) 7.643 12.706 ( 7.067 -0.275 -0.305) 7.079 12.949 ( 5.904 3.088 -1.607) 6.853 13.500 ( -7.074 -7.937 3.952) 11.343 13.829 ( 5.935 0.993 -4.704) 7.638 14.063 ( 8.375 3.689 2.747) 9.555 14.605 ( -3.815 4.140 2.722) 6.253 15.105 ( -6.905 -5.732 1.847) 9.163 17.169 ( -7.969 -15.122 -3.895) 17.531 ======================= Grid point 68 (40/156) ======================= q-point: ( 0.05 -0.65 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -1.895 1.721 -7.770) 8.180 2.322 ( 2.155 6.640 4.020) 8.056 2.853 ( 1.368 -2.495 2.262) 3.635 3.407 ( -1.995 9.665 6.038) 11.569 3.713 ( -9.435 -1.673 7.317) 12.056 4.248 ( -2.782 -4.179 -4.535) 6.766 4.566 ( 4.743 -6.422 -0.809) 8.024 5.205 ( 7.418 -9.865 -5.480) 13.505 5.940 ( -1.559 0.795 1.649) 2.404 6.158 ( -1.356 -0.538 -0.081) 1.461 6.456 ( 1.487 -3.835 -1.051) 4.245 6.735 ( 1.755 -0.012 -5.662) 5.928 6.933 ( -5.034 2.912 -4.589) 7.408 7.703 ( 3.014 2.322 2.936) 4.805 7.884 ( -4.051 1.864 5.647) 7.196 8.537 ( -5.099 2.187 4.992) 7.464 8.953 ( -2.228 4.472 0.158) 4.999 9.329 ( 1.665 -0.950 -2.826) 3.415 9.449 ( -0.606 0.459 6.562) 6.606 9.777 ( 5.729 -4.140 -3.305) 7.803 10.228 ( 2.421 0.640 -6.406) 6.878 10.501 ( 1.241 4.733 -0.693) 4.942 10.971 ( 0.315 -6.918 -3.998) 7.996 11.069 ( 2.047 3.174 0.589) 3.822 11.466 ( -0.548 7.312 8.747) 11.414 11.879 ( -4.226 2.013 -2.457) 5.287 12.063 ( 1.436 3.889 0.994) 4.263 12.226 ( 1.248 3.090 1.187) 3.538 12.796 ( -4.428 -5.635 -1.595) 7.342 12.977 ( -1.090 -1.404 -4.234) 4.592 13.413 ( -5.120 -3.170 8.006) 10.018 13.912 ( 7.576 0.059 -7.196) 10.449 14.143 ( -8.597 -0.669 -2.249) 8.912 14.641 ( 10.108 10.965 -3.086) 15.229 15.136 ( 1.901 -7.825 5.147) 9.557 17.022 ( 2.437 -13.644 2.016) 14.005 ======================= Grid point 69 (41/156) ======================= q-point: ( 0.05 -0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -12.929 6.131 -8.073) 16.429 2.011 ( -12.238 9.336 -12.752) 19.989 2.757 ( 2.901 7.362 -9.080) 12.044 3.445 ( -5.555 -0.664 7.198) 9.117 3.842 ( 6.685 3.388 6.720) 10.066 4.232 ( 2.060 5.693 6.971) 9.234 4.738 ( 2.868 0.239 -0.492) 2.919 5.427 ( 9.464 -5.248 -5.260) 12.033 5.772 ( -6.470 0.779 0.674) 6.551 6.265 ( -1.217 -4.336 1.792) 4.847 6.453 ( -0.717 3.792 -2.720) 4.721 6.606 ( -0.538 5.147 1.670) 5.437 6.684 ( -2.184 6.284 1.436) 6.806 7.691 ( -4.356 -4.672 -2.150) 6.740 7.926 ( 0.560 4.068 -0.338) 4.120 8.714 ( -4.853 -4.839 3.497) 7.694 8.860 ( 8.816 5.952 6.933) 12.698 9.330 ( -1.340 1.704 1.377) 2.568 9.486 ( -1.774 -3.435 -4.042) 5.594 9.834 ( 2.738 -2.269 7.843) 8.612 10.115 ( 2.997 -8.406 -10.173) 13.533 10.552 ( 0.414 -1.557 0.487) 1.683 10.959 ( -1.188 -6.815 1.571) 7.093 11.231 ( 4.589 0.076 -3.167) 5.576 11.461 ( -4.697 -1.396 -9.472) 10.665 11.783 ( -4.990 8.782 0.068) 10.101 11.935 ( 2.123 2.426 1.418) 3.522 12.454 ( -0.094 -10.416 1.148) 10.480 12.622 ( -3.429 -1.923 4.839) 6.235 12.773 ( -0.132 5.054 -3.189) 5.977 13.314 ( -2.162 8.311 1.257) 8.679 13.843 ( -3.990 1.293 0.707) 4.254 14.179 ( 8.422 -2.512 -7.786) 11.742 14.651 ( -3.351 -0.575 -4.720) 5.817 15.391 ( 5.231 -7.889 2.184) 9.715 17.374 ( 7.741 -0.718 9.390) 12.190 ======================= Grid point 71 (42/156) ======================= q-point: ( 0.05 -0.05 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 1.848 7.574 0.000) 7.796 2.341 ( 6.233 9.200 0.000) 11.113 2.558 ( -3.212 7.061 0.000) 7.757 3.750 ( 1.804 -2.952 -0.000) 3.460 3.898 ( -5.759 -0.188 0.000) 5.762 4.179 ( 0.406 -1.313 -0.000) 1.374 4.587 ( -0.585 -8.964 -0.000) 8.983 4.984 ( -5.982 0.245 0.000) 5.987 5.914 ( 0.367 -3.416 -0.000) 3.435 6.204 ( -2.768 -2.818 -0.000) 3.951 6.482 ( -0.477 -4.294 -0.000) 4.321 6.507 ( 1.512 6.920 0.000) 7.083 6.912 ( 3.031 2.481 -0.000) 3.917 7.544 ( 2.502 1.727 -0.000) 3.040 8.112 ( 7.790 -0.615 -0.000) 7.814 8.658 ( 4.457 -5.787 -0.000) 7.304 8.958 ( -1.828 4.398 0.000) 4.763 9.316 ( -6.752 2.720 0.000) 7.279 9.776 ( -8.268 -0.786 0.000) 8.305 9.951 ( -5.770 4.927 0.000) 7.587 10.045 ( 0.455 4.712 0.000) 4.734 10.486 ( -0.913 -1.052 -0.000) 1.393 10.790 ( 3.159 -4.511 -0.000) 5.507 11.129 ( 10.328 -3.124 -0.000) 10.790 11.302 ( 2.384 4.246 0.000) 4.869 11.764 ( 11.418 -1.003 -0.000) 11.462 12.087 ( -8.905 -2.190 0.000) 9.171 12.570 ( -6.433 2.244 0.000) 6.814 12.652 ( 13.138 3.639 -0.000) 13.633 12.887 ( 2.122 0.738 -0.000) 2.247 13.426 ( -6.973 -13.081 -0.000) 14.824 13.847 ( 3.926 5.978 0.000) 7.152 14.049 ( 2.764 14.745 0.000) 15.002 14.481 ( 6.390 -7.996 -0.000) 10.236 15.238 ( -9.924 -0.506 0.000) 9.937 17.204 ( -15.739 -9.826 0.000) 18.554 ======================= Grid point 72 (43/156) ======================= q-point: ( 0.05 0.15 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 4.812 -1.983 2.267) 5.677 2.393 ( -0.643 1.236 -4.239) 4.462 2.710 ( 2.881 4.916 9.474) 11.056 3.605 ( -5.946 8.533 3.330) 10.920 3.739 ( -4.710 -2.103 1.996) 5.531 4.233 ( 4.327 -5.212 -2.906) 7.371 4.434 ( -2.213 -8.323 -6.653) 10.883 4.965 ( 2.811 -4.183 2.469) 5.612 5.991 ( -2.298 2.223 0.352) 3.217 6.138 ( 0.639 -3.946 0.807) 4.078 6.361 ( -0.370 -4.747 -0.625) 4.802 6.719 ( 4.809 0.609 -2.089) 5.278 7.052 ( 1.802 0.285 -1.067) 2.113 7.646 ( 0.458 1.055 3.891) 4.057 8.082 ( -7.965 9.303 -0.907) 12.281 8.620 ( -2.645 -1.218 -2.537) 3.862 9.096 ( -2.911 -4.030 2.217) 5.444 9.151 ( 5.257 -0.480 0.480) 5.301 9.480 ( 0.737 4.141 -2.274) 4.781 9.709 ( 1.588 2.463 -4.710) 5.548 10.281 ( 3.954 5.829 3.464) 7.849 10.504 ( 0.491 -4.835 -1.526) 5.094 10.857 ( 0.311 -6.273 -1.329) 6.420 11.246 ( 0.083 6.261 -6.689) 9.162 11.465 ( -1.469 5.694 7.701) 9.690 11.938 ( 0.214 1.811 7.818) 8.028 12.075 ( -5.402 3.753 0.684) 6.613 12.335 ( 3.597 -5.907 -5.356) 8.747 12.847 ( -2.271 7.409 -3.450) 8.483 13.080 ( -0.852 3.474 0.688) 3.642 13.159 ( -1.608 -8.842 7.410) 11.648 13.808 ( 5.860 -10.950 -9.701) 15.759 14.358 ( -0.686 6.064 3.701) 7.138 14.649 ( 2.371 4.687 3.762) 6.461 14.972 ( -0.070 -0.328 -1.062) 1.114 16.753 ( -2.947 -12.004 -1.467) 12.447 ======================= Grid point 73 (44/156) ======================= q-point: ( 0.05 -0.65 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( -4.683 0.589 -5.170) 7.001 2.466 ( 0.038 0.755 -3.528) 3.608 2.819 ( 0.199 1.183 -0.682) 1.380 3.495 ( -8.422 2.529 2.565) 9.160 3.707 ( 5.321 8.546 7.987) 12.851 4.223 ( 2.774 4.004 -2.593) 5.518 4.566 ( 6.896 -7.028 2.587) 10.181 5.151 ( 7.454 -9.142 -3.462) 12.293 5.875 ( -3.609 0.595 2.132) 4.234 6.190 ( 0.603 2.250 3.628) 4.312 6.425 ( 1.688 -2.750 -0.394) 3.251 6.748 ( 1.414 -3.431 -5.677) 6.782 6.868 ( -6.475 4.997 -0.148) 8.180 7.682 ( -2.381 -1.542 0.547) 2.889 7.925 ( -1.204 3.275 5.356) 6.392 8.580 ( 1.110 5.053 6.584) 8.373 8.953 ( -4.668 1.348 -1.862) 5.204 9.375 ( 4.780 3.918 -1.198) 6.296 9.529 ( 5.016 -0.620 -6.396) 8.152 9.756 ( -0.573 -2.968 -2.052) 3.653 10.162 ( -3.657 -3.157 -10.027) 11.130 10.593 ( -3.158 0.597 -0.651) 3.279 10.795 ( 0.033 -4.875 3.808) 6.186 11.135 ( 2.189 -2.479 1.052) 3.470 11.641 ( 1.095 5.478 3.256) 6.466 11.801 ( -3.863 -1.853 2.625) 5.024 12.099 ( -3.956 -2.353 3.613) 5.851 12.218 ( -1.502 1.082 -4.715) 5.065 12.692 ( -0.705 4.901 -0.083) 4.952 12.917 ( -4.553 0.687 -1.005) 4.713 13.356 ( -0.563 2.648 8.693) 9.104 13.970 ( 1.613 -2.772 -3.616) 4.833 14.100 ( 1.646 2.595 -4.446) 5.404 14.717 ( -4.892 -9.514 -0.854) 10.732 15.171 ( 7.983 1.157 -0.800) 8.106 17.004 ( 12.801 -2.704 2.710) 13.361 ======================= Grid point 75 (45/156) ======================= q-point: ( 0.05 -0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 17.272 9.238 -1.420) 19.638 2.051 ( 5.154 14.588 -0.277) 15.474 2.836 ( -3.649 8.098 -9.812) 13.235 3.498 ( 6.099 -7.675 11.489) 15.103 4.004 ( -4.305 -1.441 -5.374) 7.035 4.261 ( -1.964 4.128 -2.661) 5.289 4.880 ( -12.622 2.490 4.215) 13.538 5.314 ( -8.743 1.310 -2.375) 9.154 5.868 ( 7.378 -4.483 3.570) 9.343 6.060 ( 1.760 -0.656 -1.256) 2.260 6.463 ( 1.038 7.431 0.999) 7.569 6.666 ( 0.920 4.352 -5.209) 6.850 6.960 ( -9.599 1.791 4.322) 10.678 7.500 ( 4.166 1.291 -3.676) 5.704 7.840 ( 2.984 -2.671 -3.871) 5.570 8.587 ( -2.253 -1.286 1.868) 3.197 9.004 ( 2.146 -3.526 0.366) 4.143 9.303 ( 4.589 5.215 -0.796) 6.992 9.686 ( 3.619 -5.649 4.874) 8.292 10.034 ( -0.550 -6.878 -1.204) 7.005 10.233 ( 0.613 -0.103 8.132) 8.156 10.452 ( -3.728 0.740 10.843) 11.490 10.685 ( 2.389 -6.372 -3.242) 7.538 11.000 ( -1.343 0.797 -8.940) 9.075 11.396 ( -1.713 3.834 -10.116) 10.953 11.533 ( 1.662 1.383 -3.133) 3.807 12.078 ( 4.182 2.916 9.439) 10.728 12.430 ( 0.488 -3.477 6.300) 7.213 12.654 ( 6.576 -4.879 -2.165) 8.470 12.873 ( -5.929 2.119 -8.939) 10.934 13.454 ( 0.430 0.176 -0.504) 0.685 13.703 ( 3.210 9.631 0.169) 10.154 14.097 ( -3.624 3.152 -4.073) 6.297 14.421 ( -0.261 -2.843 -0.212) 2.863 15.458 ( -0.771 -6.027 1.484) 6.255 17.699 ( -8.700 -3.343 5.268) 10.706 ======================= Grid point 76 (46/156) ======================= q-point: ( 0.05 -0.05 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -4.443 4.704 0.000) 6.470 2.483 ( 0.877 0.703 -0.000) 1.124 2.636 ( -0.944 3.049 0.000) 3.192 3.667 ( 1.353 -6.142 -0.000) 6.290 3.706 ( -2.856 -7.690 -0.000) 8.204 4.236 ( -3.397 7.956 0.000) 8.651 4.427 ( 0.600 -3.797 -0.000) 3.844 4.931 ( -4.197 3.161 0.000) 5.254 5.914 ( 6.104 -3.402 -0.000) 6.989 6.118 ( -2.372 1.155 0.000) 2.638 6.371 ( -3.914 -0.695 0.000) 3.975 6.729 ( 2.352 6.762 0.000) 7.159 7.003 ( 4.083 0.153 -0.000) 4.086 7.603 ( 0.787 0.794 0.000) 1.118 8.155 ( 5.788 -8.453 -0.000) 10.244 8.643 ( 3.462 -4.157 -0.000) 5.410 8.962 ( -1.611 2.440 0.000) 2.924 9.231 ( -6.808 2.523 0.000) 7.260 9.618 ( -6.083 -0.069 0.000) 6.084 9.913 ( -4.270 0.139 0.000) 4.272 10.215 ( 2.147 4.543 0.000) 5.025 10.473 ( -1.005 2.131 0.000) 2.356 10.797 ( 1.552 0.687 -0.000) 1.697 11.324 ( 11.463 -2.379 -0.000) 11.707 11.421 ( 2.057 1.723 -0.000) 2.684 11.878 ( -5.211 -2.483 0.000) 5.772 11.948 ( 9.533 -0.729 -0.000) 9.561 12.439 ( -7.659 -0.277 0.000) 7.664 12.891 ( 5.870 -4.296 -0.000) 7.274 13.008 ( 7.646 3.793 -0.000) 8.535 13.106 ( -4.902 -5.033 -0.000) 7.026 13.881 ( -9.266 6.913 0.000) 11.560 14.283 ( 5.453 -0.429 -0.000) 5.470 14.583 ( 6.684 2.020 -0.000) 6.983 15.094 ( -6.480 1.089 0.000) 6.571 16.756 ( -11.204 -3.935 0.000) 11.874 ======================= Grid point 77 (47/156) ======================= q-point: ( 0.05 0.15 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 2.633 -4.440 0.587) 5.195 2.416 ( 1.898 0.030 -3.263) 3.775 2.765 ( -0.650 -2.575 8.499) 8.905 3.668 ( -2.847 3.676 0.593) 4.687 3.751 ( 1.593 9.385 4.506) 10.532 4.200 ( 4.871 -9.496 -3.805) 11.330 4.368 ( 1.406 4.242 -5.471) 7.064 4.957 ( 2.940 -2.327 2.312) 4.404 5.935 ( -5.427 2.704 2.002) 6.385 6.134 ( 2.517 -0.610 1.609) 3.049 6.359 ( 3.678 0.188 -1.224) 3.881 6.705 ( -2.010 -5.501 -2.109) 6.225 7.007 ( -4.019 -0.469 0.416) 4.068 7.652 ( -0.615 -0.401 4.414) 4.475 8.124 ( -6.476 7.923 -2.820) 10.614 8.610 ( 1.009 1.266 -2.886) 3.309 8.990 ( -2.248 -1.240 2.711) 3.734 9.257 ( 7.658 -1.215 1.819) 7.964 9.580 ( 5.122 0.382 -4.637) 6.920 9.763 ( 2.103 -1.580 -8.509) 8.906 10.301 ( -4.232 -5.325 1.228) 6.912 10.508 ( 5.035 1.156 6.051) 7.956 10.752 ( -2.981 -0.582 -3.998) 5.021 11.238 ( -7.224 0.501 -6.094) 9.464 11.522 ( -0.753 0.313 8.970) 9.007 11.920 ( -4.487 0.467 0.009) 4.511 12.011 ( -5.627 0.877 7.940) 9.771 12.362 ( 7.694 0.113 -6.481) 10.060 12.877 ( -8.071 5.309 -2.581) 9.999 12.999 ( -4.323 -2.699 0.796) 5.158 13.196 ( 5.697 3.647 7.875) 10.381 13.781 ( 9.512 -6.860 -9.064) 14.822 14.331 ( -6.850 2.023 3.923) 8.148 14.619 ( -6.881 -3.672 3.226) 8.440 15.072 ( 7.568 -0.434 -2.186) 7.889 16.742 ( 11.152 3.224 -1.235) 11.674 ======================= Grid point 78 (48/156) ======================= q-point: ( 0.05 0.35 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -9.360 0.414 -1.134) 9.437 2.306 ( -7.546 -4.945 -5.553) 10.594 2.940 ( 6.208 0.965 2.446) 6.742 3.358 ( -7.703 1.126 -4.180) 8.836 3.943 ( 6.851 1.410 1.706) 7.200 4.386 ( -0.561 1.568 2.137) 2.710 4.633 ( 13.174 -1.564 4.454) 13.994 5.180 ( 8.174 -3.228 -1.018) 8.847 5.854 ( -2.878 3.562 0.723) 4.636 6.165 ( -4.466 -0.509 3.356) 5.609 6.505 ( 6.085 1.249 0.961) 6.286 6.699 ( 3.493 -3.306 0.158) 4.812 6.860 ( -2.779 1.315 0.089) 3.075 7.614 ( -3.783 0.496 -0.676) 3.874 7.934 ( -0.845 0.654 3.662) 3.815 8.598 ( -3.655 -1.174 1.843) 4.259 8.962 ( 1.409 2.240 -0.087) 2.648 9.430 ( -3.397 -2.492 -12.681) 13.363 9.629 ( 0.005 -3.785 1.046) 3.926 9.751 ( 5.843 7.917 -2.707) 10.205 10.076 ( 0.128 0.123 -6.287) 6.289 10.426 ( -5.294 -4.580 -1.225) 7.106 10.747 ( -5.091 3.146 4.627) 7.565 11.134 ( 3.807 -2.813 5.115) 6.969 11.546 ( -6.070 -3.405 -5.678) 8.983 11.782 ( 1.615 -2.189 13.342) 13.616 11.983 ( -1.209 -2.482 -4.090) 4.935 12.236 ( -2.746 4.312 -8.801) 10.178 12.740 ( -7.187 5.231 2.765) 9.309 12.939 ( 5.216 1.517 5.335) 7.614 13.444 ( -0.970 5.872 6.561) 8.858 13.886 ( -0.532 -7.932 -4.269) 9.023 14.206 ( -3.141 6.617 0.607) 7.350 14.412 ( 2.486 -12.072 0.066) 12.326 15.305 ( 3.134 1.950 -2.655) 4.547 17.319 ( 15.191 2.667 -0.813) 15.445 ======================= Grid point 80 (49/156) ======================= q-point: ( 0.05 -0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 8.894 3.847 2.143) 9.924 2.400 ( 6.042 8.913 3.904) 11.453 2.818 ( -4.624 -0.002 -8.383) 9.574 3.492 ( 5.618 -6.289 8.969) 12.311 3.879 ( -4.467 -4.075 -5.065) 7.887 4.257 ( 2.141 -4.442 -7.666) 9.115 4.641 ( -12.931 2.285 2.488) 13.365 5.215 ( -10.121 7.702 1.515) 12.808 5.837 ( 1.109 -3.665 -0.536) 3.866 6.118 ( 4.603 -2.909 -1.212) 5.578 6.501 ( -5.227 -0.294 0.514) 5.261 6.715 ( -3.075 8.143 0.902) 8.751 6.865 ( 1.059 -2.077 0.457) 2.376 7.589 ( 1.944 1.755 -3.317) 4.227 7.880 ( 5.352 -3.700 -0.799) 6.556 8.535 ( 1.352 -3.760 -3.656) 5.416 9.001 ( 0.890 -0.798 3.212) 3.428 9.491 ( 0.217 0.003 -6.056) 6.060 9.652 ( 4.455 -1.982 5.520) 7.365 9.901 ( -2.601 -3.194 10.430) 11.214 10.212 ( -3.747 6.334 5.533) 9.208 10.518 ( 5.151 3.185 6.733) 9.055 10.659 ( 2.205 -2.097 -2.527) 3.955 11.008 ( -1.209 3.400 -7.615) 8.426 11.470 ( 0.954 3.359 -13.126) 13.583 11.634 ( 5.105 2.303 -0.027) 5.601 12.123 ( -5.143 -0.709 9.149) 10.519 12.387 ( 3.975 -4.160 5.481) 7.947 12.668 ( 6.954 -5.191 -4.094) 9.595 12.868 ( -0.679 3.552 -2.016) 4.140 13.304 ( -2.326 -8.030 -6.957) 10.876 13.974 ( 2.953 3.510 4.197) 6.217 14.180 ( 2.689 3.931 -1.615) 5.029 14.410 ( -2.986 9.876 -0.277) 10.321 15.334 ( -2.990 -3.010 0.588) 4.283 17.349 ( -15.612 -6.074 1.776) 16.846 ======================= Grid point 81 (50/156) ======================= q-point: ( 0.05 -0.05 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -4.506 1.500 0.000) 4.749 2.507 ( 0.143 -0.922 -0.000) 0.933 2.541 ( -4.072 -5.486 -0.000) 6.832 3.569 ( 6.457 -7.819 -0.000) 10.140 3.724 ( 5.457 2.933 -0.000) 6.195 4.261 ( -3.772 3.831 0.000) 5.377 4.504 ( 2.167 7.242 0.000) 7.560 4.936 ( -3.564 5.272 0.000) 6.364 5.986 ( 4.050 -1.849 -0.000) 4.452 6.134 ( -2.627 5.237 0.000) 5.859 6.365 ( 1.080 4.294 0.000) 4.428 6.741 ( -5.648 -1.013 0.000) 5.738 7.064 ( -2.048 1.046 0.000) 2.299 7.604 ( -0.774 -0.679 0.000) 1.030 8.092 ( 8.670 -10.407 -0.000) 13.545 8.648 ( 5.146 -2.612 -0.000) 5.771 9.071 ( 1.875 7.492 0.000) 7.723 9.145 ( -5.936 0.816 0.000) 5.991 9.495 ( -1.760 -4.794 -0.000) 5.107 9.795 ( -0.510 -6.426 -0.000) 6.446 10.205 ( -2.923 -2.764 0.000) 4.023 10.542 ( -3.333 7.151 0.000) 7.889 10.866 ( -0.279 4.190 0.000) 4.199 11.329 ( -0.780 -9.180 -0.000) 9.213 11.392 ( 1.705 -5.556 -0.000) 5.812 11.838 ( 2.275 0.722 -0.000) 2.387 12.055 ( 3.907 -2.541 -0.000) 4.661 12.404 ( -2.585 5.318 0.000) 5.913 12.897 ( 0.406 -7.986 -0.000) 7.997 13.020 ( 4.791 4.392 -0.000) 6.500 13.119 ( -0.903 1.481 0.000) 1.734 13.919 ( -6.024 12.069 0.000) 13.489 14.308 ( -0.951 -5.321 -0.000) 5.405 14.605 ( -0.530 -4.335 -0.000) 4.367 14.986 ( -0.716 -2.256 -0.000) 2.367 16.769 ( 3.633 12.224 0.000) 12.752 ======================= Grid point 82 (51/156) ======================= q-point: ( 0.05 0.15 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -2.440 -6.627 0.125) 7.063 2.352 ( -5.252 -7.198 1.132) 8.982 2.664 ( 2.729 -6.819 8.851) 11.502 3.662 ( -3.901 1.819 -6.755) 8.010 3.950 ( 3.751 1.110 2.702) 4.755 4.130 ( 2.920 -1.802 -4.229) 5.446 4.584 ( 1.817 8.905 -0.234) 9.092 5.017 ( 5.955 1.594 3.174) 6.934 5.924 ( -0.740 2.427 1.000) 2.727 6.202 ( 1.126 1.930 -0.175) 2.241 6.447 ( 1.951 0.873 -2.516) 3.301 6.538 ( -1.682 -2.713 2.900) 4.313 6.900 ( -3.308 -3.370 -0.911) 4.810 7.620 ( -1.388 -0.282 6.335) 6.492 8.077 ( -7.243 0.780 -3.476) 8.072 8.649 ( -3.077 3.806 -1.043) 5.004 8.940 ( 0.988 -3.191 -0.963) 3.477 9.370 ( 6.580 -3.304 4.580) 8.671 9.667 ( 3.698 -3.975 -13.265) 14.333 9.811 ( 7.677 3.434 -3.144) 8.979 10.110 ( -2.275 -5.806 0.589) 6.263 10.565 ( 0.937 -1.092 3.730) 3.998 10.761 ( -2.861 7.137 0.590) 7.712 11.100 ( -6.288 1.700 -1.635) 6.716 11.432 ( -2.222 -4.017 10.469) 11.431 11.790 ( -11.665 2.125 1.711) 11.980 12.021 ( 4.037 -0.401 -4.915) 6.373 12.507 ( 3.095 1.595 -6.253) 7.157 12.695 ( -4.524 -4.526 3.835) 7.460 12.892 ( -2.762 -1.687 0.420) 3.264 13.508 ( 6.430 11.975 7.579) 15.563 13.758 ( -2.232 -6.378 -7.069) 9.779 14.098 ( -3.204 -13.648 3.110) 14.360 14.502 ( -7.469 8.430 2.197) 11.475 15.236 ( 9.812 0.758 -0.415) 9.850 17.166 ( 15.267 8.728 -3.631) 17.956 ======================= Grid point 84 (52/156) ======================= q-point: ( 0.05 0.55 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 12.624 -2.124 7.081) 14.629 2.241 ( 3.208 -1.858 10.499) 11.134 2.998 ( -3.135 -3.798 -4.914) 6.957 3.217 ( 4.291 0.481 -0.306) 4.329 4.003 ( -4.485 -6.482 -3.911) 8.800 4.241 ( 1.834 -8.181 -9.789) 12.889 4.859 ( -10.582 0.228 2.828) 10.955 5.562 ( -7.880 4.757 3.272) 9.769 5.681 ( 6.905 2.934 2.098) 7.790 6.112 ( -0.926 -0.524 -4.142) 4.276 6.534 ( 0.948 -3.710 1.666) 4.176 6.734 ( -1.505 -3.610 -0.382) 3.930 6.809 ( -4.017 -4.991 2.942) 7.050 7.547 ( 5.640 1.592 0.762) 5.909 7.953 ( -2.123 0.323 -5.148) 5.578 8.526 ( 2.320 -0.191 -1.953) 3.039 8.904 ( -0.666 -3.341 -7.145) 7.915 9.368 ( 6.224 1.780 7.337) 9.784 9.574 ( 4.457 -5.222 3.899) 7.896 9.672 ( -2.526 -1.277 -6.486) 7.076 10.273 ( -4.470 1.070 6.247) 7.755 10.516 ( -2.365 13.883 6.603) 15.554 10.695 ( 3.406 5.433 -1.123) 6.510 11.211 ( 0.453 1.363 -6.662) 6.815 11.483 ( 4.671 1.200 7.022) 8.519 11.799 ( 1.177 -3.075 -7.445) 8.140 12.063 ( 0.247 -0.559 5.087) 5.124 12.151 ( 1.554 7.877 1.112) 8.105 12.530 ( 0.016 -3.173 -1.204) 3.394 12.971 ( -4.323 -3.395 -0.546) 5.524 13.474 ( -8.607 -1.102 -2.907) 9.151 13.749 ( 7.131 -3.941 -0.546) 8.165 14.285 ( 0.074 7.052 5.545) 8.971 14.604 ( 2.430 4.923 1.979) 5.836 15.308 ( -0.519 0.861 -2.315) 2.524 17.485 ( -8.413 -5.582 -2.917) 10.510 ======================= Grid point 85 (53/156) ======================= q-point: ( 0.05 0.75 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 3.923 3.770 6.077) 8.157 2.487 ( -5.166 -2.541 -0.659) 5.794 2.778 ( 0.062 1.545 -4.508) 4.766 3.463 ( 6.517 -6.414 -0.638) 9.166 3.576 ( -6.386 -12.555 -4.615) 14.822 4.283 ( 4.099 -0.464 2.801) 4.987 4.530 ( -5.988 5.435 -1.314) 8.193 5.213 ( -9.753 11.811 2.675) 15.549 5.817 ( 2.076 -0.887 -3.170) 3.892 6.132 ( 2.509 -1.108 -1.954) 3.368 6.441 ( -1.958 2.296 0.863) 3.138 6.834 ( 0.641 -1.306 1.789) 2.306 6.893 ( 4.804 4.775 2.942) 7.385 7.653 ( 0.364 2.163 -2.386) 3.241 7.850 ( 2.974 -7.769 -1.621) 8.475 8.464 ( 3.007 -7.043 -5.019) 9.157 9.008 ( 0.185 -0.266 3.381) 3.397 9.340 ( -1.300 -6.551 -3.985) 7.777 9.598 ( -2.033 -5.822 2.095) 6.513 9.917 ( -4.963 6.703 12.328) 14.885 10.317 ( 0.124 3.436 1.896) 3.926 10.593 ( -1.486 1.706 1.185) 2.554 10.786 ( 5.750 6.318 3.973) 9.421 11.089 ( 1.150 3.198 -4.218) 5.417 11.473 ( -2.218 -3.910 -9.660) 10.655 11.815 ( 5.840 1.356 1.240) 6.123 11.997 ( -2.037 0.572 -5.104) 5.525 12.326 ( 1.317 -6.352 4.172) 7.713 12.733 ( 5.241 -1.629 4.413) 7.042 12.946 ( 3.481 1.104 1.834) 4.087 13.179 ( -1.151 0.563 -9.393) 9.480 13.973 ( 5.242 -7.266 -1.008) 9.016 14.251 ( -6.731 8.433 8.707) 13.864 14.687 ( 2.689 10.924 -3.787) 11.870 15.183 ( -6.778 -3.929 0.636) 7.860 16.975 ( -12.249 0.496 -0.586) 12.273 ======================= Grid point 86 (54/156) ======================= q-point: ( 0.05 -0.05 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -4.176 -6.934 -0.000) 8.095 2.180 ( -6.248 -15.623 -0.000) 16.826 2.559 ( -4.427 5.286 0.000) 6.895 3.592 ( 9.990 -7.288 -0.000) 12.366 3.859 ( -0.529 3.949 0.000) 3.984 4.292 ( -0.000 2.480 0.000) 2.480 4.795 ( 3.758 13.393 0.000) 13.910 4.999 ( -2.154 7.778 0.000) 8.071 5.930 ( -1.559 -3.810 -0.000) 4.116 6.234 ( 0.108 4.819 0.000) 4.820 6.466 ( -3.246 -1.227 0.000) 3.470 6.663 ( -0.795 8.736 0.000) 8.772 6.936 ( -7.406 -3.280 0.000) 8.100 7.549 ( -1.915 -1.937 -0.000) 2.724 8.054 ( 4.403 -8.630 -0.000) 9.688 8.736 ( 6.298 -1.475 -0.000) 6.468 8.991 ( -6.936 -2.508 0.000) 7.376 9.252 ( -3.620 8.921 0.000) 9.628 9.463 ( 13.923 -5.520 -0.000) 14.978 9.703 ( 5.818 -6.225 -0.000) 8.520 10.062 ( -5.292 -2.973 0.000) 6.070 10.597 ( -3.428 6.016 0.000) 6.924 10.926 ( -0.505 3.007 0.000) 3.049 11.156 ( 0.139 -5.757 -0.000) 5.759 11.273 ( -1.937 -5.050 -0.000) 5.409 11.891 ( 0.433 -2.809 -0.000) 2.842 12.059 ( 2.328 -1.305 -0.000) 2.668 12.438 ( 3.803 -1.280 -0.000) 4.012 12.710 ( -8.895 0.304 0.000) 8.900 12.966 ( -6.248 -2.787 0.000) 6.841 13.447 ( 9.834 11.744 0.000) 15.317 13.917 ( -14.021 -11.997 0.000) 18.453 14.005 ( -3.273 4.027 0.000) 5.189 14.577 ( 3.130 -3.685 -0.000) 4.835 15.085 ( 8.072 4.943 -0.000) 9.465 17.209 ( 8.927 15.668 0.000) 18.033 ======================= Grid point 87 (55/156) ======================= q-point: ( 0.05 0.15 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -10.336 -12.137 2.420) 16.124 1.941 ( -11.829 -15.291 4.100) 19.762 2.528 ( 0.325 -13.582 12.462) 18.436 3.648 ( 0.692 -0.211 -8.315) 8.346 3.929 ( -1.586 -1.187 -7.154) 7.423 4.216 ( 0.721 3.314 0.964) 3.526 4.676 ( 2.653 -0.893 1.568) 3.208 5.246 ( 5.834 6.380 5.444) 10.217 5.937 ( -0.553 -3.121 -4.515) 5.516 6.219 ( -2.738 5.509 1.460) 6.323 6.389 ( -5.710 -3.042 -2.544) 6.952 6.599 ( 3.530 -1.179 3.345) 5.004 6.754 ( 0.934 -6.021 -3.348) 6.952 7.590 ( -3.018 1.201 9.953) 10.469 7.934 ( -3.387 -1.855 -1.674) 4.209 8.654 ( -4.698 5.486 -3.094) 7.858 8.921 ( 4.408 -4.416 2.020) 6.558 9.370 ( -1.499 2.434 -3.475) 4.499 9.708 ( 5.261 -2.478 -8.242) 10.087 10.028 ( 2.313 0.055 -6.000) 6.430 10.098 ( 12.537 1.559 2.519) 12.882 10.559 ( -2.291 1.973 -3.945) 4.970 10.880 ( -1.165 8.815 7.122) 11.392 11.080 ( -2.996 4.577 1.133) 5.586 11.317 ( -2.275 -3.444 9.709) 10.550 11.584 ( -7.848 -1.099 4.453) 9.090 12.040 ( 0.362 -2.972 -11.084) 11.481 12.464 ( -3.474 -0.166 2.716) 4.413 12.716 ( 5.778 -2.656 6.858) 9.352 12.849 ( 1.458 1.241 -2.020) 2.784 13.417 ( -5.359 -14.490 -4.861) 16.196 13.715 ( -11.300 4.104 4.153) 12.719 13.965 ( 7.668 2.293 5.418) 9.665 14.547 ( -2.596 4.784 0.792) 5.500 15.481 ( 7.857 5.413 -1.115) 9.606 17.561 ( 10.233 4.118 -7.598) 13.394 ======================= Grid point 89 (56/156) ======================= q-point: ( 0.05 0.55 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 10.467 -2.674 9.923) 14.669 2.252 ( 7.601 -9.361 11.108) 16.395 2.854 ( -1.880 -1.617 0.789) 2.602 3.320 ( 5.511 -0.980 -5.260) 7.681 3.673 ( -9.090 -10.535 -9.848) 17.047 4.163 ( 1.841 -2.686 -0.015) 3.256 4.728 ( -4.538 2.363 -2.385) 5.645 5.507 ( -6.272 3.959 3.568) 8.230 5.801 ( 3.365 0.375 2.764) 4.371 6.188 ( 0.768 5.217 -5.532) 7.642 6.481 ( 2.539 -0.566 0.999) 2.786 6.603 ( 0.886 -8.597 -0.151) 8.644 6.741 ( 3.698 -3.133 7.688) 9.088 7.690 ( 4.375 2.772 -1.671) 5.443 7.886 ( -3.259 -2.372 -4.640) 6.146 8.548 ( -2.197 -0.286 -11.475) 11.687 8.822 ( 1.669 -2.114 2.322) 3.556 9.305 ( -1.092 -7.072 -0.557) 7.177 9.555 ( -1.755 -3.585 -6.285) 7.445 9.749 ( 6.528 3.560 6.974) 10.194 10.310 ( -0.110 4.159 9.164) 10.064 10.587 ( -5.815 5.538 4.335) 9.125 10.929 ( -0.226 8.948 -2.168) 9.209 11.242 ( -1.405 2.416 -1.048) 2.985 11.589 ( -1.503 -4.138 0.375) 4.418 11.696 ( 3.439 -3.088 -2.373) 5.196 12.034 ( 1.999 -2.939 7.349) 8.164 12.359 ( -4.912 10.321 -8.379) 14.173 12.559 ( 6.313 1.416 -0.761) 6.514 12.863 ( 0.338 0.673 5.314) 5.367 13.294 ( -2.302 -4.324 -0.858) 4.973 13.809 ( 4.348 -0.729 -2.623) 5.130 14.343 ( -6.332 3.227 8.982) 11.454 14.745 ( 3.045 0.267 4.495) 5.435 15.320 ( -3.675 4.572 -5.068) 7.751 17.222 ( -6.734 -2.046 -5.973) 9.231 ======================= Grid point 90 (57/156) ======================= q-point: ( 0.05 0.75 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( -4.561 -9.533 -4.966) 11.677 2.365 ( -2.349 1.842 9.873) 10.314 2.745 ( -4.905 1.802 -8.125) 9.661 3.313 ( 4.534 -9.419 -3.712) 11.093 3.615 ( 11.862 2.258 -2.906) 12.420 4.288 ( 0.670 -2.659 0.205) 2.750 4.618 ( -0.801 9.033 3.672) 9.784 5.284 ( -9.441 13.819 2.413) 16.910 5.895 ( 4.326 0.151 -2.363) 4.932 6.196 ( 1.519 3.462 3.190) 4.947 6.455 ( -0.891 2.297 -1.037) 2.673 6.809 ( -0.807 -0.576 2.172) 2.388 7.057 ( 2.311 1.359 6.739) 7.253 7.639 ( -2.091 -2.733 -2.959) 4.539 7.781 ( 4.911 -3.515 -4.612) 7.599 8.443 ( 7.427 -4.695 -4.029) 9.667 8.953 ( 1.654 -5.163 0.170) 5.424 9.321 ( 3.309 -0.381 -4.439) 5.550 9.419 ( -3.101 -6.242 3.499) 7.799 9.855 ( -11.461 4.671 4.779) 13.267 10.263 ( -4.887 -2.050 -2.594) 5.900 10.635 ( -0.408 2.365 11.756) 11.998 11.008 ( 0.050 6.509 -1.217) 6.622 11.059 ( 0.199 -7.463 0.633) 7.493 11.310 ( -0.475 -4.316 -7.085) 8.310 11.856 ( 2.140 -2.875 -3.747) 5.185 11.980 ( -0.587 -0.775 -3.917) 4.036 12.287 ( 2.805 -5.504 3.692) 7.197 12.845 ( 3.998 1.903 3.347) 5.551 13.056 ( 0.668 7.390 3.717) 8.299 13.268 ( 2.513 6.839 -6.784) 9.956 13.966 ( 5.348 -5.745 -0.199) 7.851 14.266 ( -4.368 4.432 9.276) 11.169 14.647 ( -10.264 -9.691 -3.193) 14.472 15.044 ( -2.666 4.367 -3.419) 6.154 17.004 ( 0.212 13.462 -0.169) 13.464 ======================= Grid point 91 (58/156) ======================= q-point: ( 0.05 -0.05 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -4.778 -23.962 -0.000) 24.434 1.736 ( -14.348 -9.809 0.000) 17.381 2.460 ( -14.963 1.528 0.000) 15.041 3.621 ( 3.985 -5.133 -0.000) 6.498 3.989 ( 4.884 8.575 0.000) 9.868 4.327 ( 0.732 -0.180 -0.000) 0.754 4.836 ( -15.551 4.772 0.000) 16.267 5.254 ( 3.213 10.730 0.000) 11.201 5.862 ( 3.642 -5.463 -0.000) 6.566 6.252 ( -0.065 -2.848 -0.000) 2.848 6.390 ( 1.865 -1.192 -0.000) 2.214 6.678 ( -6.692 -7.088 -0.000) 9.748 6.807 ( -8.550 8.469 0.000) 12.034 7.485 ( -0.910 -0.751 0.000) 1.179 7.912 ( -0.572 -7.376 -0.000) 7.398 8.770 ( 0.465 -2.517 -0.000) 2.559 8.930 ( -0.745 4.755 0.000) 4.813 9.351 ( 5.297 3.615 -0.000) 6.413 9.713 ( 9.936 -1.313 -0.000) 10.023 9.840 ( 13.911 1.103 -0.000) 13.955 9.927 ( -2.457 1.354 0.000) 2.806 10.669 ( -0.200 4.844 0.000) 4.848 10.981 ( 1.132 1.446 0.000) 1.837 11.092 ( 3.375 -4.469 -0.000) 5.600 11.139 ( -3.582 -2.472 0.000) 4.352 11.701 ( -8.263 -5.424 0.000) 9.884 12.140 ( 3.968 1.168 -0.000) 4.137 12.442 ( 3.812 -8.736 -0.000) 9.531 12.568 ( -13.019 5.561 0.000) 14.157 12.851 ( 1.095 0.523 -0.000) 1.213 13.348 ( -11.207 -12.058 -0.000) 16.462 13.819 ( 1.337 0.651 -0.000) 1.487 14.020 ( -1.138 8.664 0.000) 8.739 14.553 ( 2.299 -3.216 -0.000) 3.953 15.411 ( 10.905 6.802 -0.000) 12.853 17.629 ( 5.969 10.703 0.000) 12.255 ======================= Grid point 93 (59/156) ======================= q-point: ( 0.05 0.35 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 14.608 -5.563 15.933) 22.321 1.575 ( 6.111 -15.416 16.975) 23.731 2.540 ( 1.684 -15.076 21.028) 25.928 3.351 ( 1.920 -2.278 -9.343) 9.807 3.739 ( 3.832 -14.121 -13.791) 20.106 4.235 ( -3.890 4.878 -5.714) 8.460 4.886 ( -6.884 5.377 6.101) 10.655 5.503 ( 4.370 -2.927 -4.007) 6.612 5.664 ( -0.656 -2.137 5.204) 5.664 6.196 ( 4.012 -8.173 -0.655) 9.128 6.275 ( 8.491 -4.116 -3.391) 10.027 6.551 ( 1.045 -0.088 0.697) 1.259 6.612 ( -5.361 -2.468 0.742) 5.948 7.738 ( 2.367 8.700 1.852) 9.205 7.885 ( -2.725 -1.750 0.837) 3.344 8.720 ( 4.797 3.984 -1.525) 6.420 8.944 ( -6.471 -6.143 -4.451) 9.971 9.335 ( -3.891 4.319 -11.789) 13.144 9.501 ( 2.115 3.147 2.132) 4.350 9.964 ( -3.644 2.919 -15.930) 16.600 10.173 ( 3.461 -3.600 0.301) 5.003 10.737 ( -5.521 6.256 5.970) 10.260 11.058 ( 2.129 5.312 4.752) 7.438 11.300 ( -0.650 -2.611 0.721) 2.786 11.469 ( 2.549 9.591 10.317) 14.315 11.625 ( -4.560 1.608 5.288) 7.166 11.959 ( -4.981 -1.908 -1.329) 5.497 12.380 ( 11.035 0.652 2.393) 11.310 12.677 ( 1.188 -5.067 -2.803) 5.911 12.850 ( -6.342 8.969 7.704) 13.417 13.250 ( -4.858 1.025 7.930) 9.356 13.724 ( 4.383 -3.569 2.555) 6.203 14.333 ( -5.866 0.010 4.021) 7.112 14.591 ( 5.000 2.298 2.116) 5.895 15.613 ( -2.457 6.233 -6.240) 9.155 17.350 ( 1.322 -10.964 -14.511) 18.235 ======================= Grid point 94 (60/156) ======================= q-point: ( 0.05 0.55 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 4.051 -11.829 6.939) 14.300 2.170 ( 5.199 -6.124 8.107) 11.413 2.944 ( 3.801 4.938 4.254) 7.545 3.256 ( -4.406 -7.062 -10.250) 13.204 3.545 ( 9.982 2.192 -9.119) 13.697 4.194 ( 4.117 -1.650 -1.189) 4.592 4.772 ( -1.977 9.159 0.733) 9.398 5.465 ( -3.334 0.257 7.116) 7.863 5.904 ( 3.863 2.129 2.019) 4.851 6.197 ( -4.461 0.360 -0.405) 4.493 6.497 ( 2.271 -2.228 1.344) 3.454 6.640 ( 8.183 0.555 -0.127) 8.203 6.779 ( 5.355 -2.025 8.442) 10.200 7.684 ( -3.430 -7.641 -5.567) 10.057 7.858 ( 2.001 4.497 -3.271) 5.910 8.473 ( -2.665 1.040 -7.995) 8.492 8.887 ( 1.579 2.394 -0.907) 3.008 9.212 ( 5.576 -5.968 -0.766) 8.204 9.424 ( -3.837 -3.473 -9.575) 10.884 9.920 ( 2.412 3.913 4.059) 6.132 10.329 ( 1.454 -3.987 6.836) 8.047 10.510 ( -12.345 4.965 3.919) 13.871 11.018 ( -1.961 -0.893 -2.827) 3.554 11.167 ( -6.930 -0.155 0.674) 6.965 11.399 ( -1.889 -1.869 -0.529) 2.709 11.762 ( 3.092 -0.656 1.799) 3.637 12.017 ( 0.253 -1.508 6.357) 6.538 12.280 ( -6.825 -1.282 -8.228) 10.767 12.795 ( 2.879 6.530 -0.607) 7.162 13.029 ( 7.175 1.814 4.659) 8.746 13.295 ( 4.761 4.853 1.892) 7.057 13.855 ( 0.357 -3.196 1.392) 3.505 14.232 ( -4.119 1.619 7.611) 8.805 14.614 ( -6.444 -8.353 1.927) 10.724 15.341 ( -4.826 5.119 -6.278) 9.429 17.244 ( 2.887 7.355 -5.621) 9.697 ======================= Grid point 95 (61/156) ======================= q-point: ( 0.05 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -5.771 -16.735 -5.978) 18.684 2.226 ( -9.484 -1.164 1.373) 9.653 2.800 ( -0.511 6.539 -4.643) 8.035 3.295 ( 7.092 -5.679 -1.663) 9.237 3.912 ( 6.314 5.942 -1.365) 8.777 4.261 ( 2.908 -2.846 -3.133) 5.135 4.884 ( 6.678 12.746 3.358) 14.776 5.346 ( -10.429 11.601 5.167) 16.433 5.849 ( -2.395 -5.534 1.053) 6.121 6.285 ( -1.228 0.383 2.444) 2.761 6.527 ( 0.705 2.268 0.027) 2.375 6.779 ( -3.029 1.509 1.339) 3.640 7.025 ( -3.870 1.627 7.169) 8.307 7.560 ( -0.027 -3.266 -1.044) 3.429 7.849 ( 4.844 -1.650 -7.047) 8.710 8.543 ( 8.507 -2.478 -3.470) 9.516 8.925 ( 2.368 -3.620 0.259) 4.334 9.189 ( 2.097 -7.272 -2.837) 8.082 9.454 ( 5.653 -0.466 -3.801) 6.828 9.732 ( -12.214 9.856 3.615) 16.106 10.125 ( -5.020 -1.287 0.090) 5.184 10.604 ( -1.751 -2.089 8.642) 9.062 10.871 ( 2.604 -7.639 1.908) 8.293 11.103 ( 0.461 -0.915 -5.194) 5.295 11.300 ( -0.695 2.619 -3.901) 4.750 11.819 ( 1.827 -4.494 -4.374) 6.533 11.976 ( -0.236 -0.863 -1.073) 1.397 12.226 ( 3.930 -3.813 4.242) 6.926 12.835 ( -2.715 -2.769 2.370) 4.545 13.174 ( -9.092 8.852 5.235) 13.726 13.505 ( 4.895 2.862 -1.960) 5.999 13.880 ( -0.489 -5.286 3.252) 6.225 14.106 ( -8.107 -4.840 -4.699) 10.546 14.449 ( 2.945 -0.334 1.060) 3.148 15.130 ( 2.113 5.011 -4.366) 6.974 17.372 ( 4.805 15.290 2.258) 16.185 ======================= Grid point 96 (62/156) ======================= q-point: ( 0.05 -0.05 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -8.899 -24.522 -0.000) 26.086 1.176 ( -21.913 -10.265 0.000) 24.198 1.956 ( -32.941 -5.869 0.000) 33.459 3.588 ( -2.519 1.507 0.000) 2.935 4.143 ( -2.950 -6.813 -0.000) 7.424 4.434 ( 10.595 4.733 -0.000) 11.604 4.631 ( -11.005 10.396 0.000) 15.139 5.467 ( 0.466 6.344 0.000) 6.361 5.783 ( 2.003 -7.926 -0.000) 8.176 6.182 ( 3.617 -7.241 -0.000) 8.094 6.311 ( -6.476 -3.851 0.000) 7.534 6.543 ( 4.440 -4.434 -0.000) 6.275 6.673 ( -14.441 4.629 0.000) 15.164 7.458 ( -0.268 -2.045 -0.000) 2.063 7.854 ( 2.923 0.240 -0.000) 2.933 8.723 ( 0.845 -4.128 -0.000) 4.213 8.967 ( -4.455 4.346 0.000) 6.223 9.548 ( 3.840 -1.877 -0.000) 4.274 9.788 ( 7.782 1.942 -0.000) 8.020 10.144 ( 6.021 8.908 0.000) 10.752 10.201 ( 13.648 9.492 -0.000) 16.624 10.753 ( 1.070 1.856 0.000) 2.142 10.936 ( -0.216 -5.986 -0.000) 5.990 11.078 ( -0.576 0.493 0.000) 0.759 11.132 ( 4.172 -3.906 -0.000) 5.715 11.500 ( -3.020 2.238 0.000) 3.759 12.096 ( -11.756 -1.035 0.000) 11.801 12.305 ( 1.222 -10.288 -0.000) 10.360 12.490 ( -3.065 8.319 0.000) 8.866 12.943 ( -7.747 -9.585 -0.000) 12.324 12.985 ( 6.429 1.542 -0.000) 6.611 13.662 ( -8.112 -4.412 0.000) 9.234 14.251 ( 3.435 7.399 0.000) 8.157 14.556 ( 3.754 -2.721 -0.000) 4.637 15.721 ( 8.372 4.517 -0.000) 9.512 17.849 ( 1.307 4.762 0.000) 4.938 ======================= Grid point 98 (63/156) ======================= q-point: ( 0.05 0.35 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 8.378 -14.114 13.904) 21.511 1.598 ( 15.977 -6.488 14.662) 22.635 2.538 ( 15.679 -1.845 23.569) 28.368 3.428 ( 4.583 -0.067 -12.233) 13.064 3.576 ( 5.998 -5.188 -11.157) 13.689 4.254 ( -3.755 3.516 -5.829) 7.774 4.937 ( -2.885 8.764 8.215) 12.354 5.407 ( -1.879 -5.382 -4.996) 7.580 5.743 ( 5.944 0.693 4.291) 7.364 6.149 ( 5.892 -6.422 -0.799) 8.752 6.263 ( 4.512 -6.248 -2.249) 8.028 6.521 ( -0.606 0.839 5.158) 5.261 6.704 ( 6.115 2.968 -2.894) 7.388 7.734 ( -8.150 -2.688 1.591) 8.728 7.909 ( 1.405 3.396 -0.481) 3.706 8.659 ( -5.742 -3.319 0.939) 6.698 8.939 ( 5.494 4.058 -2.266) 7.196 9.284 ( -7.489 2.705 -11.650) 14.111 9.619 ( 0.981 0.832 -7.159) 7.274 9.987 ( 0.379 4.759 -5.519) 7.298 10.142 ( 3.475 -6.410 -7.879) 10.735 10.726 ( -8.338 5.221 6.770) 11.942 11.099 ( -1.824 -2.279 -0.045) 2.920 11.236 ( -2.921 0.240 8.335) 8.835 11.339 ( -10.003 -0.873 6.301) 11.854 11.737 ( -0.979 6.801 3.851) 7.876 11.905 ( -1.489 0.672 3.789) 4.126 12.430 ( -2.351 -6.071 -2.143) 6.854 12.663 ( 11.190 -3.360 1.652) 11.800 13.021 ( -2.988 6.107 2.126) 7.123 13.293 ( -0.427 7.601 10.969) 13.352 13.624 ( 0.419 -7.869 7.395) 10.807 14.255 ( -3.484 4.767 2.743) 6.510 14.575 ( -3.718 -3.870 0.067) 5.367 15.632 ( -4.971 2.426 -6.178) 8.292 17.362 ( 11.502 -1.289 -14.608) 18.637 ======================= Grid point 99 (64/156) ======================= q-point: ( 0.05 0.55 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -0.297 -12.943 0.128) 12.947 2.207 ( 2.178 -0.495 8.313) 8.608 3.013 ( -1.626 1.644 -6.545) 6.941 3.172 ( 2.675 -1.425 -1.901) 3.578 3.908 ( 12.469 6.559 -5.780) 15.228 4.240 ( 5.427 -2.072 -7.488) 9.477 5.000 ( -0.126 13.274 5.741) 14.463 5.354 ( -1.915 -3.939 7.779) 8.928 5.896 ( -5.954 -2.350 1.458) 6.565 6.177 ( 2.080 -0.613 4.424) 4.927 6.540 ( 2.911 -1.014 1.473) 3.416 6.753 ( 4.424 -1.446 -0.266) 4.662 6.881 ( 3.153 4.008 5.460) 7.471 7.497 ( -0.948 -5.312 -2.050) 5.772 7.956 ( 1.678 1.693 -3.767) 4.458 8.509 ( 0.167 2.006 -1.887) 2.759 8.904 ( 0.618 -1.581 -6.175) 6.404 9.216 ( -2.842 -0.289 -4.364) 5.216 9.389 ( 8.230 0.046 -6.721) 10.626 9.920 ( -3.973 -3.558 -0.877) 5.405 10.271 ( -4.066 3.685 7.827) 9.559 10.395 ( -5.117 2.234 4.235) 7.008 10.780 ( -7.124 -5.187 0.753) 8.845 11.159 ( 0.871 0.331 -4.753) 4.844 11.396 ( -0.214 1.552 2.730) 3.148 11.805 ( 1.513 -0.660 -2.416) 2.926 12.006 ( 0.905 0.481 7.549) 7.618 12.129 ( -5.322 -1.436 -6.822) 8.770 12.799 ( -5.496 -4.310 4.945) 8.558 13.090 ( 5.604 -5.097 0.957) 7.636 13.522 ( 1.237 5.716 4.436) 7.340 13.755 ( 0.397 -2.294 2.395) 3.340 14.238 ( -3.857 -2.463 1.271) 4.750 14.427 ( 0.112 4.633 -0.185) 4.638 15.313 ( -3.502 1.117 -5.748) 6.823 17.503 ( 5.153 7.657 -2.446) 9.548 ======================= Grid point 100 (65/156) ======================= q-point: ( 0.05 -0.25 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -9.001 -11.769 -7.410) 16.566 1.979 ( -14.190 -1.086 -2.852) 14.514 2.848 ( -7.256 3.673 -7.220) 10.875 3.367 ( 8.299 -1.866 3.772) 9.305 4.073 ( 1.425 4.357 0.994) 4.691 4.294 ( 2.167 -0.490 -4.427) 4.953 5.129 ( -10.182 3.963 12.229) 16.399 5.431 ( 4.732 9.331 -1.812) 10.618 5.694 ( -2.616 -4.434 1.260) 5.300 6.134 ( -2.449 -7.290 -1.500) 7.835 6.470 ( -5.124 -1.522 -2.779) 6.025 6.686 ( -5.421 -2.104 -0.703) 5.857 7.052 ( -6.204 6.495 9.301) 12.930 7.488 ( 0.218 -4.202 -1.719) 4.545 7.852 ( 0.810 -2.669 -7.718) 8.207 8.659 ( 4.072 0.380 5.520) 6.870 8.916 ( 6.538 -1.597 -6.522) 9.372 9.246 ( 5.167 -0.700 -1.435) 5.408 9.521 ( 3.844 0.850 4.302) 5.831 9.853 ( 0.295 10.365 0.697) 10.393 10.080 ( 0.257 5.335 -2.409) 5.859 10.555 ( 1.603 -3.001 4.742) 5.836 10.815 ( 4.904 -6.122 4.453) 9.020 11.069 ( 0.078 -2.416 -5.793) 6.277 11.338 ( -2.099 4.864 -7.607) 9.270 11.668 ( -3.797 -8.724 -2.100) 9.744 12.010 ( 4.967 0.058 0.265) 4.974 12.282 ( 3.585 -0.382 1.604) 3.946 12.703 ( -3.095 -2.806 7.390) 8.489 13.033 ( -11.431 1.243 1.015) 11.543 13.429 ( -8.789 -1.468 -3.330) 9.513 13.796 ( -0.027 -5.010 0.940) 5.097 14.101 ( 4.071 3.856 -3.630) 6.680 14.466 ( 1.241 -2.765 -3.007) 4.269 15.344 ( 8.137 5.368 -0.154) 9.750 17.695 ( 2.511 8.764 5.436) 10.615 ======================= Grid point 101 (66/156) ======================= q-point: ( 0.10 -0.10 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -16.727 11.190 0.000) 20.125 1.073 ( -26.056 0.719 0.000) 26.066 1.863 ( -38.563 -3.451 0.000) 38.718 3.688 ( -3.637 7.255 0.000) 8.115 3.954 ( -4.024 -10.225 -0.000) 10.989 4.426 ( 9.100 -2.501 -0.000) 9.437 4.888 ( -3.615 5.351 0.000) 6.458 5.398 ( -0.746 -9.070 -0.000) 9.101 5.771 ( 0.196 7.548 0.000) 7.550 6.091 ( 0.272 0.289 0.000) 0.397 6.265 ( -1.897 -0.968 0.000) 2.130 6.457 ( 0.458 -3.217 -0.000) 3.249 6.763 ( -12.194 3.006 0.000) 12.559 7.416 ( 0.440 -0.922 -0.000) 1.022 7.890 ( 4.083 2.189 -0.000) 4.633 8.648 ( -1.166 -2.124 -0.000) 2.423 8.979 ( -0.887 -3.006 -0.000) 3.134 9.536 ( 3.194 1.109 -0.000) 3.381 9.819 ( 5.760 1.376 -0.000) 5.922 10.258 ( 6.428 4.411 -0.000) 7.796 10.434 ( 12.951 2.932 -0.000) 13.279 10.716 ( 3.094 1.213 -0.000) 3.323 10.857 ( -2.555 -3.875 -0.000) 4.642 11.024 ( 4.885 -4.594 -0.000) 6.706 11.088 ( -2.078 1.174 0.000) 2.387 11.563 ( 3.209 1.023 -0.000) 3.368 12.081 ( -5.750 -1.171 0.000) 5.868 12.174 ( -9.555 -0.649 0.000) 9.577 12.715 ( 5.459 7.838 0.000) 9.552 12.801 ( -13.665 1.817 0.000) 13.786 12.996 ( 3.908 -0.072 -0.000) 3.909 13.532 ( -6.643 -7.911 -0.000) 10.330 14.299 ( 5.446 -3.232 -0.000) 6.333 14.534 ( 3.541 1.659 -0.000) 3.911 15.776 ( 7.500 0.752 -0.000) 7.538 17.912 ( -0.253 0.730 0.000) 0.773 ======================= Grid point 102 (67/156) ======================= q-point: ( 0.10 0.10 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 0.000 0.000 26.872) 26.872 0.524 ( 0.000 0.000 26.872) 26.872 1.068 ( 0.000 0.000 54.602) 54.602 3.450 ( -0.000 -0.000 -7.152) 7.152 3.450 ( -0.000 -0.000 -7.152) 7.152 4.522 ( -0.000 -0.000 -1.852) 1.852 5.200 ( 0.000 0.000 10.378) 10.378 5.354 ( -0.000 -0.000 -0.484) 0.484 5.354 ( -0.000 -0.000 -0.484) 0.484 6.126 ( -0.000 -0.000 -8.029) 8.029 6.126 ( -0.000 -0.000 -8.029) 8.029 6.403 ( 0.000 0.000 1.225) 1.225 6.597 ( 0.000 0.000 4.614) 4.614 7.929 ( -0.000 -0.000 -5.490) 5.490 8.548 ( -0.000 -0.000 -6.569) 6.569 8.652 ( 0.000 0.000 3.063) 3.063 8.652 ( 0.000 0.000 3.063) 3.063 9.412 ( 0.000 0.000 5.692) 5.692 10.095 ( -0.000 -0.000 -9.917) 9.917 10.095 ( -0.000 -0.000 -9.917) 9.917 10.283 ( -0.000 -0.000 -25.199) 25.199 10.929 ( 0.000 0.000 7.243) 7.243 10.929 ( 0.000 0.000 7.243) 7.243 11.020 ( -0.000 -0.000 -2.671) 2.671 11.535 ( 0.000 0.000 18.014) 18.014 11.993 ( -0.000 -0.000 -0.945) 0.945 12.157 ( 0.000 0.000 0.923) 0.923 12.157 ( 0.000 0.000 0.923) 0.923 12.513 ( 0.000 0.000 0.369) 0.369 13.153 ( 0.000 0.000 4.518) 4.518 13.349 ( 0.000 0.000 4.227) 4.227 13.349 ( 0.000 0.000 4.227) 4.227 14.617 ( 0.000 0.000 0.006) 0.006 14.617 ( 0.000 0.000 0.006) 0.006 15.875 ( -0.000 -0.000 -6.427) 6.427 16.487 ( 0.000 0.000 2.697) 2.697 ======================= Grid point 103 (68/156) ======================= q-point: ( 0.10 0.30 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 7.148 -1.686 17.553) 19.028 1.527 ( 16.075 -0.759 17.613) 23.858 2.526 ( 18.543 0.120 24.206) 30.493 3.367 ( 1.926 -3.453 -12.067) 12.699 3.621 ( 14.810 6.642 -11.342) 19.801 4.286 ( -5.728 -0.566 -6.265) 8.508 5.023 ( -5.266 -3.684 8.929) 11.002 5.366 ( 2.393 4.892 -8.569) 10.153 5.730 ( 4.802 -3.214 7.336) 9.339 6.107 ( 3.712 3.540 -2.122) 5.551 6.187 ( 9.332 -0.835 -2.689) 9.748 6.537 ( -0.529 0.587 2.935) 3.040 6.704 ( 5.527 -2.872 -0.960) 6.302 7.711 ( -9.626 0.229 1.534) 9.750 7.929 ( -1.675 -1.206 -0.090) 2.066 8.644 ( -2.594 2.079 0.169) 3.329 8.992 ( 6.230 0.951 -3.626) 7.271 9.346 ( -8.885 2.705 -5.246) 10.667 9.565 ( -1.812 -6.205 -9.497) 11.488 10.010 ( 0.503 -1.610 -10.217) 10.356 10.110 ( 4.445 2.779 -7.297) 8.985 10.784 ( -5.772 0.706 3.525) 6.800 11.047 ( -4.383 -1.565 5.158) 6.947 11.268 ( 1.050 2.636 5.349) 6.055 11.384 ( -13.313 4.304 8.338) 16.287 11.761 ( -6.235 -5.592 6.554) 10.635 11.982 ( -0.326 5.573 0.029) 5.582 12.293 ( 2.190 -5.079 2.286) 5.985 12.634 ( 4.582 1.144 -3.973) 6.172 13.022 ( -5.776 -7.351 8.471) 12.616 13.314 ( -1.426 -1.844 12.065) 12.288 13.628 ( 3.375 5.099 5.504) 8.227 14.376 ( -3.109 4.845 3.656) 6.819 14.505 ( -3.313 -0.997 -1.304) 3.698 15.644 ( -5.399 -0.738 -7.133) 8.976 17.341 ( 16.556 -0.522 -15.101) 22.415 ======================= Grid point 104 (69/156) ======================= q-point: ( 0.10 0.50 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 0.650 0.952 4.642) 4.783 2.207 ( 2.509 0.611 9.486) 9.831 3.024 ( 2.225 -0.029 -6.772) 7.128 3.171 ( -0.086 0.840 -0.103) 0.850 4.014 ( 8.771 3.289 -4.844) 10.546 4.216 ( 7.929 -0.022 -10.620) 13.254 5.070 ( -3.172 -8.399 10.194) 13.584 5.408 ( 5.372 11.942 -1.679) 13.202 5.790 ( -9.095 -8.202 4.808) 13.157 6.157 ( 1.375 -1.996 0.817) 2.558 6.512 ( 3.740 -0.343 2.433) 4.475 6.738 ( 4.848 0.053 -0.316) 4.859 6.914 ( 5.496 -2.878 2.133) 6.560 7.454 ( -1.755 2.069 -0.149) 2.717 7.975 ( 1.228 0.129 -3.457) 3.671 8.516 ( -1.467 -0.940 -1.164) 2.095 8.902 ( 0.376 1.020 -8.452) 8.521 9.245 ( -2.462 4.101 0.108) 4.785 9.459 ( 6.710 6.011 -2.811) 9.437 9.792 ( -0.921 -7.774 -0.834) 7.873 10.314 ( 4.236 -0.087 2.943) 5.159 10.482 ( -15.484 5.372 5.231) 17.204 10.708 ( -6.149 -3.091 3.264) 7.617 11.180 ( -0.717 1.965 -7.316) 7.609 11.423 ( -0.063 1.611 6.701) 6.892 11.786 ( 0.944 -0.689 -5.151) 5.282 12.044 ( 1.205 2.558 6.113) 6.735 12.114 ( -6.537 0.449 -3.228) 7.305 12.641 ( -1.889 -9.413 4.699) 10.689 13.031 ( 2.958 -1.885 -1.390) 3.773 13.608 ( 3.736 2.508 4.249) 6.189 13.676 ( -2.152 -5.568 -1.622) 6.186 14.240 ( -4.674 3.017 3.082) 6.360 14.533 ( -0.406 4.870 0.691) 4.935 15.316 ( -2.522 -0.354 -4.366) 5.055 17.576 ( 6.371 -0.495 -2.669) 6.925 ======================= Grid point 105 (70/156) ======================= q-point: ( 0.10 -0.30 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -10.426 8.311 -4.359) 14.028 1.985 ( -15.628 1.754 -2.056) 15.860 2.880 ( -7.972 -0.517 -8.697) 11.809 3.387 ( 8.494 3.973 7.242) 11.848 4.082 ( 4.287 -2.685 -3.067) 5.916 4.295 ( -2.530 -0.635 -2.919) 3.915 5.092 ( -7.207 -7.492 11.445) 15.461 5.486 ( -1.915 -6.512 -4.784) 8.304 5.698 ( 2.572 7.209 4.651) 8.956 6.049 ( -1.230 -0.629 -3.095) 3.389 6.445 ( -6.245 -0.184 -1.205) 6.362 6.659 ( -6.208 -0.609 -3.215) 7.018 7.104 ( -4.457 -2.793 6.349) 8.245 7.440 ( -0.970 0.700 -0.440) 1.274 7.818 ( 1.986 -0.548 -7.361) 7.644 8.646 ( 1.276 -2.586 3.832) 4.796 8.931 ( 8.810 3.481 -2.094) 9.701 9.251 ( -0.595 1.148 -2.887) 3.163 9.585 ( 5.565 5.260 4.565) 8.915 9.997 ( 4.969 5.125 3.421) 7.916 10.178 ( 1.329 2.699 -1.596) 3.406 10.518 ( -0.287 -0.721 6.479) 6.525 10.711 ( 4.699 -4.511 2.843) 7.107 11.025 ( -0.637 -1.681 -5.832) 6.103 11.431 ( -1.262 1.989 -13.750) 13.950 11.524 ( -3.592 -3.713 1.698) 5.438 12.009 ( 1.357 1.276 2.687) 3.269 12.343 ( 4.455 5.851 2.874) 7.896 12.642 ( -1.917 -3.101 6.771) 7.690 12.986 ( -3.685 -4.927 -5.597) 8.317 13.443 ( -10.460 1.321 -2.663) 10.875 13.701 ( -0.036 -3.228 -0.013) 3.229 14.142 ( 0.319 -0.231 -2.150) 2.185 14.428 ( 1.026 -0.884 -2.525) 2.866 15.431 ( 7.631 3.215 1.226) 8.371 17.786 ( 2.294 0.123 5.647) 6.096 ======================= Grid point 112 (71/156) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 11.659 14.697 4.866) 19.381 1.577 ( 10.886 20.689 9.018) 25.058 2.281 ( 14.082 10.109 15.424) 23.203 3.572 ( 0.397 5.060 -5.792) 7.701 3.995 ( 2.560 -4.887 -12.111) 13.309 4.281 ( 0.452 -3.387 -3.128) 4.632 4.658 ( -0.763 -0.027 6.004) 6.052 5.375 ( -2.841 -6.491 5.236) 8.810 5.837 ( 0.919 6.660 -6.185) 9.135 6.270 ( 3.624 1.738 1.202) 4.195 6.385 ( 1.940 -1.254 -1.418) 2.711 6.553 ( 7.190 1.635 -1.639) 7.554 6.651 ( -2.935 4.176 -1.415) 5.297 7.613 ( 0.083 -0.493 11.568) 11.579 7.878 ( -0.026 2.704 -1.685) 3.186 8.766 ( 3.193 -2.656 -1.374) 4.375 8.874 ( 0.455 -2.212 1.336) 2.624 9.464 ( -6.361 -4.852 -6.690) 10.429 9.630 ( -1.826 3.346 -8.740) 9.535 10.061 ( -7.276 -2.470 -3.860) 8.599 10.125 ( -10.482 -2.787 4.097) 11.594 10.599 ( 0.514 -2.219 -3.441) 4.127 11.052 ( -1.600 -5.659 4.629) 7.484 11.112 ( 0.365 -0.381 3.086) 3.131 11.282 ( 1.118 0.454 10.382) 10.452 11.554 ( 6.264 2.170 4.871) 8.226 12.001 ( 3.209 0.426 -9.338) 9.883 12.481 ( 4.763 -2.736 7.562) 9.346 12.579 ( -3.808 10.934 3.793) 12.184 12.889 ( -7.337 -1.418 -3.736) 8.355 13.169 ( 5.557 8.826 0.334) 10.435 13.733 ( 10.516 1.122 2.483) 10.863 14.104 ( -4.191 -9.216 3.807) 10.817 14.597 ( -0.047 -0.296 1.198) 1.235 15.597 ( -8.197 -5.944 -1.589) 10.249 17.626 ( -3.540 -2.535 -11.490) 12.287 ======================= Grid point 113 (72/156) ======================= q-point: ( 0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 5.694 13.604 6.268) 16.024 2.154 ( 5.305 7.824 9.247) 13.224 2.868 ( 3.386 -6.958 5.235) 9.342 3.393 ( -3.697 7.161 -3.541) 8.802 3.919 ( 3.951 -7.091 -1.517) 8.258 4.326 ( 2.785 -2.919 -1.453) 4.288 4.792 ( 3.655 -6.547 -8.670) 11.462 5.267 ( -8.906 -11.110 3.215) 14.598 5.795 ( 1.945 5.443 0.396) 5.794 6.227 ( 0.300 2.721 -1.463) 3.104 6.502 ( 1.675 -2.233 -0.968) 2.954 6.704 ( 3.242 -1.437 -0.247) 3.555 6.806 ( 5.946 1.048 -3.460) 6.959 7.617 ( -2.715 3.527 1.623) 4.737 7.973 ( 0.495 0.443 0.485) 0.823 8.651 ( -1.873 5.604 -1.646) 6.134 8.961 ( 3.048 -4.336 -4.569) 6.997 9.293 ( -4.158 4.036 6.582) 8.770 9.491 ( 3.906 -2.378 1.414) 4.787 9.762 ( -5.612 -4.375 4.770) 8.567 10.013 ( -0.224 -0.638 -0.272) 0.729 10.513 ( -2.629 2.178 -1.633) 3.785 10.851 ( -3.702 4.620 -4.517) 7.447 11.216 ( -1.478 -3.472 2.196) 4.366 11.436 ( -1.348 4.878 9.012) 10.336 11.896 ( 2.714 5.516 1.748) 6.391 11.982 ( 1.794 -0.488 0.631) 1.964 12.232 ( -9.490 0.767 -6.288) 11.410 12.682 ( 5.587 5.193 -2.801) 8.126 12.909 ( 8.161 -4.259 -2.105) 9.443 13.456 ( 5.402 1.365 -3.917) 6.811 13.886 ( 2.209 4.054 1.299) 4.796 14.106 ( -2.742 -5.434 4.984) 7.867 14.587 ( -6.411 3.018 3.521) 7.912 15.266 ( -4.181 -4.789 1.629) 6.563 17.355 ( -1.173 -13.346 -5.745) 14.578 ======================= Grid point 114 (73/156) ======================= q-point: ( 0.10 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( -5.568 9.509 -3.655) 11.609 2.191 ( -6.236 8.820 0.204) 10.804 2.919 ( -3.810 -6.002 -6.289) 9.491 3.390 ( 2.716 6.479 9.534) 11.843 3.901 ( -6.324 -3.613 5.581) 9.176 4.287 ( -6.469 -4.166 -2.222) 8.009 4.682 ( 3.740 -8.259 -2.283) 9.349 5.218 ( 5.697 -5.109 -4.766) 9.016 5.918 ( 1.467 1.880 -0.561) 2.450 6.148 ( 0.466 2.843 -0.174) 2.886 6.491 ( -2.953 -1.226 -2.579) 4.107 6.669 ( 0.202 -6.971 -3.646) 7.870 6.823 ( -4.866 3.174 0.649) 5.846 7.652 ( 3.094 5.477 -0.296) 6.297 7.939 ( -0.514 0.527 -0.572) 0.932 8.553 ( -1.646 2.782 2.197) 3.908 8.981 ( -0.577 -2.834 1.226) 3.141 9.348 ( -5.821 4.193 7.097) 10.091 9.564 ( -0.485 -1.216 4.954) 5.124 9.896 ( 3.655 -8.643 3.530) 10.027 10.129 ( 4.693 -0.761 -3.320) 5.799 10.390 ( 1.673 7.101 2.978) 7.880 10.865 ( 8.057 5.290 -4.552) 10.659 11.091 ( -1.180 -4.151 -4.427) 6.182 11.471 ( -3.663 5.176 3.328) 7.161 11.740 ( -1.951 1.334 -9.748) 10.030 11.947 ( -1.508 1.303 2.510) 3.205 12.326 ( 4.811 2.169 8.492) 9.998 12.812 ( 1.792 2.201 -1.301) 3.122 12.938 ( -1.433 -5.741 -8.681) 10.506 13.513 ( -3.922 4.575 2.819) 6.652 13.750 ( -0.620 1.605 -3.498) 3.898 14.154 ( -8.487 -2.865 -4.511) 10.029 14.423 ( 9.106 3.643 -0.720) 9.834 15.355 ( 3.246 -5.031 3.410) 6.890 17.366 ( 1.936 -13.476 5.056) 14.522 ======================= Grid point 116 (74/156) ======================= q-point: ( 0.10 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 18.991 12.817 -0.000) 22.911 1.668 ( 9.598 21.452 0.000) 23.501 2.419 ( -2.991 22.447 0.000) 22.646 3.832 ( 6.095 -4.796 -0.000) 7.755 3.886 ( -4.742 3.018 0.000) 5.621 4.202 ( -2.774 -3.126 -0.000) 4.179 4.855 ( -13.410 6.362 0.000) 14.843 5.284 ( -3.688 -3.640 0.000) 5.181 5.963 ( 6.717 3.600 -0.000) 7.621 6.112 ( 1.809 -8.485 -0.000) 8.676 6.353 ( 6.984 7.895 0.000) 10.541 6.490 ( 1.336 3.057 0.000) 3.336 6.926 ( -7.118 6.934 0.000) 9.937 7.416 ( 1.808 0.048 -0.000) 1.809 7.867 ( 3.522 -2.876 -0.000) 4.547 8.642 ( 0.246 -1.625 -0.000) 1.643 8.961 ( -3.539 5.138 0.000) 6.239 9.380 ( 3.239 -10.583 -0.000) 11.067 9.804 ( -0.360 0.515 0.000) 0.628 10.145 ( -4.140 -7.613 -0.000) 8.666 10.307 ( 1.580 1.114 -0.000) 1.933 10.678 ( -8.116 -3.095 0.000) 8.686 10.777 ( 3.878 -5.416 -0.000) 6.662 10.889 ( 3.350 -5.522 -0.000) 6.459 11.182 ( 1.262 2.987 0.000) 3.243 11.488 ( -1.878 1.390 0.000) 2.337 12.147 ( 7.750 1.520 -0.000) 7.898 12.401 ( -7.041 9.972 0.000) 12.207 12.747 ( 2.128 -0.123 -0.000) 2.132 12.782 ( 2.196 -8.657 -0.000) 8.931 13.326 ( 11.398 13.336 0.000) 17.543 13.538 ( -2.671 4.573 0.000) 5.296 14.066 ( -7.260 -4.652 0.000) 8.623 14.504 ( 2.074 -4.473 -0.000) 4.931 15.605 ( -3.087 -7.085 -0.000) 7.728 17.831 ( -7.298 -2.698 0.000) 7.781 ======================= Grid point 117 (75/156) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 6.370 8.823 1.405) 10.973 2.128 ( 6.856 16.380 6.037) 18.755 2.557 ( 3.114 2.438 9.059) 9.885 3.665 ( 0.595 2.633 -6.480) 7.020 3.870 ( -4.960 1.762 -1.021) 5.362 4.241 ( 2.130 -6.972 -3.953) 8.293 4.710 ( 4.328 -3.885 -2.090) 6.180 5.122 ( -6.744 -8.549 5.578) 12.234 5.918 ( -1.558 3.092 -1.724) 3.868 6.258 ( 0.224 -2.995 0.347) 3.023 6.415 ( -0.407 1.806 -0.212) 1.863 6.598 ( 4.061 -5.903 -0.446) 7.179 6.803 ( 4.024 5.982 -1.829) 7.438 7.613 ( -0.135 0.478 8.311) 8.326 8.021 ( 4.251 5.477 -3.019) 7.562 8.770 ( 4.152 -7.106 -1.987) 8.466 8.853 ( 0.258 4.084 -0.884) 4.187 9.328 ( -4.983 0.897 3.289) 6.037 9.613 ( -4.954 1.470 -13.132) 14.112 9.828 ( -12.862 1.264 2.580) 13.179 10.031 ( 1.779 2.263 0.582) 2.937 10.564 ( -0.776 -1.250 0.789) 1.669 10.915 ( 1.996 -7.399 1.187) 7.755 11.117 ( 1.097 0.110 -0.489) 1.206 11.352 ( 1.174 4.256 10.185) 11.101 11.811 ( 11.989 1.282 3.693) 12.611 12.019 ( -0.727 -0.855 -8.363) 8.438 12.509 ( -3.567 1.856 -2.445) 4.706 12.620 ( -0.367 1.355 4.238) 4.465 12.841 ( 3.064 3.236 -1.608) 4.738 13.540 ( 5.119 9.890 -5.311) 12.338 13.793 ( -4.496 -8.409 7.150) 11.918 13.932 ( 6.447 1.174 1.319) 6.684 14.603 ( 2.642 -1.507 2.638) 4.026 15.291 ( -10.699 -5.012 0.027) 11.815 17.353 ( -10.409 -10.001 -5.716) 15.526 ======================= Grid point 118 (76/156) ======================= q-point: ( 0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 5.055 2.651 -0.824) 5.767 2.341 ( -2.204 5.486 4.780) 7.602 2.805 ( 2.804 -1.489 5.428) 6.288 3.479 ( -4.342 9.236 2.238) 10.449 3.834 ( -1.998 -3.747 1.687) 4.569 4.302 ( 0.176 -4.771 1.024) 4.883 4.516 ( -2.823 -12.503 -7.387) 14.794 5.085 ( 4.106 -6.206 -2.031) 7.714 5.928 ( 1.986 3.715 -0.479) 4.240 6.214 ( -2.896 -2.120 0.269) 3.599 6.443 ( -0.053 -4.823 -2.143) 5.278 6.683 ( 2.476 -1.615 -2.544) 3.900 6.965 ( 2.005 4.008 -2.709) 5.237 7.663 ( 0.837 3.647 2.186) 4.334 7.967 ( -3.941 2.622 1.533) 4.976 8.650 ( -4.662 -0.754 1.375) 4.919 8.982 ( -0.828 4.443 -1.865) 4.890 9.296 ( 0.367 -1.554 0.791) 1.782 9.444 ( 2.826 -5.140 5.254) 7.875 9.690 ( 0.711 0.800 2.933) 3.122 10.146 ( 5.318 5.050 -3.744) 8.234 10.512 ( -2.234 2.553 -0.342) 3.410 10.918 ( 2.815 -0.365 -5.130) 5.863 11.098 ( -2.491 -1.532 -0.347) 2.945 11.508 ( -2.834 7.221 10.061) 12.705 11.947 ( -1.218 0.661 -5.972) 6.131 12.044 ( -1.376 4.425 5.756) 7.390 12.210 ( 0.623 4.838 -4.303) 6.505 12.808 ( 3.350 -4.228 -0.886) 5.466 12.972 ( 1.549 2.430 -3.234) 4.331 13.510 ( -3.034 -4.916 6.182) 8.461 13.772 ( 2.669 -6.497 -7.327) 10.150 14.285 ( 4.723 5.110 1.117) 7.048 14.496 ( -4.619 9.374 -0.824) 10.483 15.123 ( 0.018 -6.927 4.896) 8.482 17.011 ( -1.381 -16.372 -1.534) 16.501 ======================= Grid point 119 (77/156) ======================= q-point: ( 0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -7.640 5.074 -5.811) 10.857 2.260 ( -9.789 8.597 -6.873) 14.730 2.738 ( -1.926 -0.854 -8.291) 8.554 3.534 ( -1.914 3.261 6.601) 7.608 3.778 ( -2.265 1.691 9.449) 9.863 4.171 ( 3.774 -0.197 1.256) 3.983 4.683 ( 3.502 -1.031 1.126) 3.820 5.240 ( 8.954 -8.086 -6.294) 13.607 5.888 ( -5.022 0.180 0.882) 5.102 6.234 ( 3.450 0.161 3.160) 4.681 6.442 ( 0.827 -0.823 -3.154) 3.363 6.630 ( -0.175 2.577 -3.697) 4.509 6.772 ( -6.327 4.450 0.926) 7.790 7.736 ( -0.009 -3.543 -3.383) 4.899 7.946 ( -2.741 5.273 4.797) 7.637 8.677 ( 6.482 3.287 8.024) 10.826 8.854 ( -6.137 0.641 -1.248) 6.295 9.347 ( -0.586 1.269 2.996) 3.306 9.495 ( 0.087 -4.693 -2.633) 5.382 9.809 ( 0.654 -3.960 4.117) 5.750 10.088 ( -0.219 -4.951 -7.105) 8.663 10.560 ( -0.336 2.505 1.212) 2.803 10.936 ( 3.118 -4.606 -0.710) 5.607 11.139 ( 4.303 1.029 -2.120) 4.906 11.526 ( -2.357 2.877 -5.471) 6.616 11.824 ( 0.503 8.355 4.461) 9.485 11.949 ( -2.680 3.112 -4.794) 6.313 12.421 ( 2.525 -4.527 6.599) 8.391 12.668 ( -3.320 -4.899 -0.404) 5.931 12.849 ( -4.635 2.080 -3.001) 5.900 13.425 ( -7.740 5.280 6.126) 11.194 13.934 ( -6.039 3.226 0.456) 6.862 13.975 ( 11.574 -3.646 -10.256) 15.888 14.675 ( 1.618 4.193 -4.582) 6.418 15.278 ( 5.377 -8.887 1.732) 10.531 17.220 ( 7.624 -8.360 7.290) 13.459 ======================= Grid point 121 (78/156) ======================= q-point: ( 0.10 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 9.945 9.583 -0.000) 13.811 2.203 ( 7.911 13.691 0.000) 15.812 2.636 ( -4.496 8.526 0.000) 9.639 3.753 ( -2.934 -1.356 0.000) 3.232 3.881 ( 7.454 -8.553 -0.000) 11.345 4.198 ( -2.068 3.260 0.000) 3.860 4.671 ( -9.506 -1.988 0.000) 9.711 5.124 ( -7.640 0.884 0.000) 7.691 5.938 ( -1.891 -5.601 -0.000) 5.912 6.162 ( 6.584 -0.967 -0.000) 6.655 6.504 ( -2.674 1.432 0.000) 3.034 6.560 ( -3.509 4.827 0.000) 5.968 6.880 ( -1.103 1.799 0.000) 2.110 7.488 ( 2.853 2.004 -0.000) 3.486 7.944 ( 8.247 -1.775 -0.000) 8.436 8.593 ( 1.534 -4.382 -0.000) 4.643 9.004 ( -2.037 4.147 0.000) 4.620 9.376 ( 1.463 2.182 0.000) 2.627 9.797 ( 2.689 -3.194 -0.000) 4.175 10.017 ( -0.466 -0.333 0.000) 0.573 10.220 ( -14.410 3.189 0.000) 14.759 10.511 ( -0.008 -2.557 -0.000) 2.557 10.750 ( -0.353 0.138 0.000) 0.380 10.907 ( 10.792 -7.527 -0.000) 13.158 11.262 ( 1.662 3.238 0.000) 3.639 11.585 ( 6.146 2.212 -0.000) 6.532 12.293 ( -11.704 0.783 0.000) 11.730 12.406 ( 11.295 2.724 -0.000) 11.619 12.659 ( -2.485 -0.193 0.000) 2.493 12.825 ( 5.659 -2.397 -0.000) 6.146 13.454 ( 1.627 -12.482 -0.000) 12.587 13.829 ( 2.083 17.428 0.000) 17.553 13.971 ( 1.155 6.960 0.000) 7.055 14.422 ( 0.286 -6.368 -0.000) 6.374 15.401 ( -6.166 -3.559 0.000) 7.119 17.512 ( -14.813 -7.029 0.000) 16.396 ======================= Grid point 122 (79/156) ======================= q-point: ( 0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 1.416 2.603 1.418) 3.285 2.400 ( 0.327 2.507 -1.299) 2.843 2.659 ( 1.852 6.652 9.483) 11.731 3.706 ( -1.422 1.934 -2.170) 3.236 3.818 ( -6.044 1.180 4.053) 7.372 4.153 ( 3.502 -5.499 -5.510) 8.536 4.517 ( -5.045 -10.263 -3.900) 12.082 4.946 ( -1.098 -1.323 3.148) 3.587 5.966 ( 3.110 0.652 0.098) 3.179 6.158 ( -2.241 -3.657 2.050) 4.754 6.404 ( -2.826 -3.918 -2.207) 5.311 6.616 ( 5.234 2.786 0.430) 5.945 6.980 ( 4.542 2.527 -0.690) 5.243 7.637 ( 0.537 1.108 4.753) 4.910 8.169 ( 0.541 3.826 -3.029) 4.910 8.657 ( -1.530 -4.738 -4.591) 6.772 9.005 ( 6.635 -1.094 2.478) 7.167 9.214 ( -7.331 1.653 2.767) 8.008 9.545 ( -6.588 3.874 -4.684) 8.964 9.724 ( -2.578 2.609 -4.928) 6.143 10.185 ( 5.059 5.430 0.969) 7.485 10.525 ( -2.141 -0.744 4.240) 4.808 10.826 ( 2.794 -6.605 -1.853) 7.408 11.203 ( 3.910 3.659 -5.115) 7.405 11.469 ( 1.160 4.634 8.997) 10.187 11.937 ( -0.217 -0.644 0.571) 0.887 12.049 ( 8.728 -2.231 3.440) 9.643 12.364 ( -7.921 -0.680 -5.225) 9.514 12.824 ( 4.794 9.380 -2.839) 10.910 12.992 ( 7.457 0.051 0.050) 7.457 13.306 ( -11.443 -9.054 8.288) 16.781 13.777 ( -0.834 -4.466 -8.892) 9.986 14.220 ( 9.426 10.063 4.006) 14.359 14.639 ( 3.864 -1.739 3.342) 5.397 15.044 ( -8.051 0.335 -0.536) 8.076 16.897 ( -11.225 -11.720 -2.690) 16.450 ======================= Grid point 123 (80/156) ======================= q-point: ( 0.10 -0.70 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -0.753 -1.992 -4.270) 4.772 2.383 ( 4.612 0.254 1.414) 4.831 2.858 ( -1.586 1.882 1.378) 2.821 3.611 ( -2.784 10.184 3.709) 11.190 3.717 ( -6.163 1.817 9.138) 11.170 4.168 ( 1.834 -2.096 -8.736) 9.170 4.412 ( 8.489 -10.387 -0.083) 13.415 5.048 ( 3.384 -5.040 -1.083) 6.167 5.951 ( -3.823 0.669 2.128) 4.426 6.165 ( 1.171 0.844 1.584) 2.143 6.378 ( 2.930 -3.784 -1.311) 4.962 6.715 ( 1.840 -2.083 -4.647) 5.414 6.991 ( -4.907 2.655 -1.328) 5.735 7.722 ( -1.024 0.498 2.244) 2.517 7.972 ( -3.967 5.776 4.347) 8.246 8.566 ( -0.035 0.776 0.940) 1.220 9.055 ( -4.616 3.315 0.878) 5.750 9.248 ( 5.903 -3.151 -2.037) 6.994 9.468 ( 2.180 0.352 -1.852) 2.882 9.721 ( 3.250 -2.214 -1.815) 4.331 10.248 ( -3.853 1.391 -6.999) 8.110 10.587 ( 3.380 3.778 4.652) 6.881 10.797 ( -0.674 -8.608 -2.539) 9.000 11.130 ( -1.112 1.953 -1.757) 2.853 11.627 ( -0.611 8.000 9.579) 12.495 11.894 ( -5.126 -0.956 -4.119) 6.645 12.140 ( 2.090 2.922 5.802) 6.825 12.255 ( -3.111 -0.491 -3.889) 5.004 12.735 ( -3.792 2.103 -0.776) 4.405 13.008 ( -4.363 2.076 -1.118) 4.960 13.345 ( 1.439 -1.884 9.598) 9.887 13.784 ( 12.026 -11.083 -11.165) 19.802 14.243 ( -11.301 9.040 1.812) 14.585 14.791 ( 0.256 0.040 -0.606) 0.659 15.001 ( 6.539 -2.549 0.287) 7.024 16.795 ( 7.757 -8.488 1.238) 11.565 ======================= Grid point 126 (81/156) ======================= q-point: ( 0.10 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 0.058 6.886 0.000) 6.887 2.471 ( 0.199 4.224 0.000) 4.229 2.663 ( -1.748 2.990 0.000) 3.463 3.639 ( 1.025 -8.514 -0.000) 8.575 3.770 ( -2.934 -10.150 -0.000) 10.566 4.255 ( 3.539 4.710 0.000) 5.891 4.467 ( -6.747 -1.087 0.000) 6.834 5.050 ( -7.726 6.336 0.000) 9.991 5.836 ( 1.460 -3.732 -0.000) 4.008 6.147 ( -0.155 -2.699 -0.000) 2.704 6.435 ( -2.802 -0.555 0.000) 2.857 6.695 ( 0.244 11.423 0.000) 11.425 6.920 ( 3.899 -1.735 -0.000) 4.267 7.577 ( 1.785 1.857 0.000) 2.575 8.025 ( 7.089 -7.576 -0.000) 10.375 8.549 ( 4.711 -6.124 -0.000) 7.726 9.018 ( -3.188 2.189 0.000) 3.867 9.368 ( -5.437 0.661 0.000) 5.477 9.721 ( -2.811 -4.317 -0.000) 5.151 10.026 ( -7.106 3.372 0.000) 7.865 10.168 ( 2.196 6.343 0.000) 6.712 10.497 ( -1.395 2.460 0.000) 2.828 10.784 ( -1.155 4.780 0.000) 4.918 11.044 ( 15.482 -5.104 -0.000) 16.301 11.371 ( 2.900 2.213 -0.000) 3.648 11.767 ( 8.336 1.859 -0.000) 8.541 12.027 ( -9.663 -4.018 0.000) 10.465 12.525 ( 1.085 -7.105 -0.000) 7.187 12.745 ( 5.500 5.948 0.000) 8.102 12.909 ( 3.994 2.004 -0.000) 4.468 13.180 ( -2.079 -11.374 -0.000) 11.562 13.993 ( -2.553 7.409 0.000) 7.836 14.281 ( -3.618 -2.788 0.000) 4.567 14.384 ( 10.700 10.904 0.000) 15.277 15.238 ( -6.899 -0.515 0.000) 6.918 17.040 ( -16.620 -6.360 0.000) 17.795 ======================= Grid point 127 (82/156) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( -0.000 -0.000 2.078) 2.078 2.399 ( -0.000 -0.000 -4.795) 4.795 2.771 ( -0.000 -0.000 9.157) 9.157 3.698 ( -0.000 -0.000 2.186) 2.186 3.734 ( -0.000 -0.000 6.165) 6.165 4.149 ( -0.000 -0.000 -5.051) 5.051 4.351 ( -0.000 -0.000 -7.910) 7.910 4.929 ( -0.000 -0.000 3.416) 3.416 6.026 ( -0.000 -0.000 0.072) 0.072 6.085 ( -0.000 0.000 2.533) 2.533 6.310 ( 0.000 0.000 -1.004) 1.004 6.729 ( -0.000 -0.000 -2.481) 2.481 7.053 ( -0.000 -0.000 0.247) 0.247 7.656 ( -0.000 -0.000 4.319) 4.319 8.204 ( -0.000 -0.000 -1.754) 1.754 8.584 ( -0.000 -0.000 -6.688) 6.688 9.014 ( -0.000 -0.000 5.222) 5.222 9.189 ( -0.000 -0.000 1.843) 1.843 9.518 ( -0.000 -0.000 -3.212) 3.212 9.734 ( -0.000 -0.000 -8.202) 8.202 10.387 ( -0.000 -0.000 10.637) 10.637 10.415 ( 0.000 0.000 -4.228) 4.228 10.784 ( -0.000 -0.000 -3.124) 3.124 11.313 ( -0.000 -0.000 -9.185) 9.185 11.526 ( -0.000 -0.000 8.298) 8.298 11.963 ( -0.000 -0.000 8.980) 8.980 12.144 ( -0.000 -0.000 6.457) 6.457 12.218 ( -0.000 -0.000 -9.547) 9.547 12.986 ( -0.000 0.000 -4.787) 4.787 13.032 ( -0.000 -0.000 8.059) 8.059 13.140 ( -0.000 -0.000 0.670) 0.670 13.653 ( -0.000 -0.000 -8.863) 8.863 14.441 ( -0.000 0.000 5.350) 5.350 14.662 ( 0.000 -0.000 3.496) 3.496 14.994 ( -0.000 -0.000 -3.555) 3.555 16.625 ( -0.000 -0.000 -1.217) 1.217 ======================= Grid point 129 (83/156) ======================= q-point: ( 0.10 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( -2.372 -0.793 0.155) 2.505 2.426 ( -1.407 -3.467 -3.245) 4.953 2.851 ( 1.108 0.725 1.438) 1.955 3.526 ( -9.088 0.536 -2.893) 9.552 3.840 ( 2.922 5.186 1.415) 6.118 4.340 ( 9.358 -9.617 -1.915) 13.555 4.389 ( 7.439 6.584 4.202) 10.786 5.054 ( 4.518 -0.861 0.848) 4.677 5.906 ( -2.978 2.523 2.082) 4.424 6.210 ( 0.754 -0.975 1.310) 1.798 6.404 ( 3.569 0.849 0.818) 3.759 6.657 ( 0.622 -4.227 -0.193) 4.277 6.934 ( -4.389 0.793 0.854) 4.541 7.684 ( -3.264 1.301 0.640) 3.571 7.972 ( -3.302 1.818 0.201) 3.775 8.644 ( 0.777 -0.083 2.044) 2.188 8.949 ( -2.262 0.017 0.372) 2.293 9.415 ( 6.671 -2.400 -8.172) 10.818 9.539 ( 5.128 3.173 -5.498) 8.161 9.701 ( -0.195 -1.738 1.155) 2.096 10.148 ( -5.262 0.524 -4.640) 7.035 10.544 ( -6.181 -2.995 -3.078) 7.526 10.793 ( 2.230 3.120 7.641) 8.549 11.088 ( -0.908 -1.910 0.735) 2.239 11.680 ( -7.146 -4.124 -4.834) 9.562 11.757 ( 0.650 1.337 10.159) 10.267 12.044 ( -5.401 -2.226 3.284) 6.702 12.282 ( -1.066 3.792 -8.770) 9.614 12.786 ( 1.834 2.649 1.957) 3.770 12.926 ( -4.433 0.086 1.163) 4.584 13.468 ( 0.559 8.775 9.171) 12.705 13.786 ( 9.347 -10.520 -7.288) 15.848 14.283 ( -3.453 8.514 1.074) 9.250 14.475 ( -9.596 -10.967 1.413) 14.641 15.199 ( 7.680 0.820 -2.722) 8.189 17.001 ( 16.231 2.281 -0.583) 16.401 ======================= Grid point 131 (84/156) ======================= q-point: ( 0.10 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 15.471 4.685 1.081) 16.201 2.296 ( 3.869 10.312 4.886) 12.049 2.900 ( -3.370 -0.768 -8.986) 9.628 3.367 ( 6.879 -5.801 9.032) 12.749 3.947 ( -2.379 -2.316 -9.522) 10.084 4.246 ( -0.627 -7.402 -5.154) 9.041 4.921 ( -15.140 1.984 4.756) 15.993 5.434 ( -11.521 10.152 0.932) 15.384 5.748 ( 8.342 -5.705 0.512) 10.119 6.078 ( -1.226 0.539 0.899) 1.614 6.550 ( 0.517 1.081 -0.706) 1.391 6.754 ( -0.567 4.075 -0.996) 4.233 6.945 ( -8.857 -2.746 3.520) 9.919 7.546 ( 3.114 2.825 0.083) 4.205 7.800 ( 2.013 -1.279 -6.133) 6.581 8.541 ( -1.768 -3.489 -1.039) 4.047 8.923 ( 6.509 -4.358 0.150) 7.835 9.390 ( 8.342 1.832 -3.788) 9.343 9.598 ( 3.274 -2.824 2.834) 5.170 9.871 ( 1.032 -7.113 4.774) 8.628 10.327 ( -2.155 6.614 5.653) 8.963 10.439 ( 0.799 0.255 5.533) 5.596 10.653 ( -2.349 2.762 3.377) 4.955 11.035 ( -0.454 2.601 -6.939) 7.424 11.463 ( -0.633 3.059 -11.437) 11.856 11.575 ( 1.579 2.857 -2.481) 4.100 12.122 ( 5.733 1.356 8.508) 10.348 12.323 ( 3.719 -6.217 5.244) 8.944 12.584 ( -2.652 -3.067 0.089) 4.056 12.923 ( -3.816 3.107 -5.461) 7.351 13.401 ( -7.511 -3.151 -4.225) 9.176 13.829 ( 8.453 0.519 1.665) 8.631 14.212 ( -2.208 8.206 0.959) 8.552 14.445 ( -0.313 5.959 -2.048) 6.309 15.350 ( 1.071 -4.965 0.475) 5.101 17.604 ( -9.591 -6.202 2.184) 11.628 ======================= Grid point 132 (85/156) ======================= q-point: ( 0.10 -0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -7.594 3.837 0.000) 8.508 2.492 ( 1.576 0.680 -0.000) 1.716 2.627 ( -4.780 -3.085 0.000) 5.689 3.485 ( 1.763 -11.354 -0.000) 11.491 3.593 ( 7.004 -2.576 -0.000) 7.463 4.345 ( -3.839 -0.885 0.000) 3.940 4.471 ( 1.280 9.437 0.000) 9.523 5.050 ( -7.970 9.574 0.000) 12.457 5.866 ( 6.410 -1.095 -0.000) 6.503 6.158 ( 0.570 2.872 0.000) 2.928 6.395 ( -2.973 2.514 0.000) 3.893 6.829 ( -3.297 2.028 0.000) 3.871 7.033 ( 5.221 4.064 -0.000) 6.616 7.616 ( -0.497 0.502 0.000) 0.706 7.934 ( 6.184 -12.312 -0.000) 13.778 8.532 ( 6.681 -6.779 -0.000) 9.518 9.010 ( 0.777 0.194 -0.000) 0.801 9.276 ( -4.064 2.001 0.000) 4.530 9.574 ( -4.257 -4.249 0.000) 6.014 9.885 ( -9.051 -1.089 0.000) 9.116 10.244 ( -0.991 -1.257 -0.000) 1.601 10.604 ( -2.227 10.171 0.000) 10.411 10.874 ( -1.607 6.340 0.000) 6.541 11.225 ( 12.359 -7.027 -0.000) 14.217 11.363 ( -0.463 -7.321 -0.000) 7.336 11.840 ( -2.439 -1.406 0.000) 2.816 11.957 ( 5.458 0.005 -0.000) 5.458 12.406 ( 2.268 -2.628 -0.000) 3.471 12.893 ( -0.584 3.471 0.000) 3.519 12.998 ( 0.135 -3.605 -0.000) 3.608 13.058 ( 4.639 3.305 -0.000) 5.696 14.055 ( -1.405 2.746 0.000) 3.085 14.234 ( -0.396 3.237 0.000) 3.261 14.650 ( -0.482 1.747 0.000) 1.813 15.056 ( -6.410 -4.132 0.000) 7.626 16.790 ( -5.614 7.188 0.000) 9.120 ======================= Grid point 137 (86/156) ======================= q-point: ( 0.10 0.70 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 10.206 1.426 5.579) 11.719 2.509 ( 2.694 0.204 5.205) 5.865 2.795 ( -2.246 -0.226 -6.909) 7.268 3.351 ( 4.912 -7.134 2.656) 9.059 3.756 ( -10.000 -10.123 -4.863) 15.038 4.172 ( 6.437 -0.833 -4.091) 7.672 4.673 ( -9.297 -0.333 -0.388) 9.311 5.425 ( -11.113 11.570 3.407) 16.400 5.807 ( 0.123 0.837 0.245) 0.881 6.050 ( 4.741 -2.798 -4.066) 6.844 6.493 ( -3.465 -0.071 0.834) 3.565 6.767 ( 2.652 -6.345 -0.103) 6.877 6.874 ( -0.035 5.326 5.471) 7.635 7.642 ( 1.367 2.897 0.016) 3.204 7.799 ( 1.710 -3.846 -5.244) 6.724 8.438 ( -0.346 -5.274 -6.341) 8.255 8.964 ( 5.190 -3.239 4.569) 7.636 9.389 ( -4.194 -7.160 -5.368) 9.882 9.576 ( 3.907 -6.785 -1.017) 7.895 9.909 ( 6.118 1.973 11.744) 13.389 10.371 ( -3.681 9.410 8.242) 13.040 10.594 ( -0.469 2.631 6.411) 6.945 10.693 ( 1.579 6.823 -3.522) 7.839 11.108 ( -0.886 6.163 -3.846) 7.318 11.512 ( -0.826 0.207 -12.861) 12.889 11.699 ( 4.507 3.730 1.176) 5.967 12.093 ( -6.456 -0.665 2.008) 6.793 12.289 ( 2.701 -5.542 4.653) 7.724 12.568 ( 9.658 -3.863 -2.083) 10.608 12.935 ( -2.294 2.270 4.309) 5.384 13.227 ( -4.531 0.533 -7.795) 9.032 13.869 ( 5.772 -8.490 -0.758) 10.294 14.358 ( -3.983 10.508 6.414) 12.939 14.652 ( 1.367 11.754 -1.326) 11.907 15.265 ( -1.589 -3.852 -0.825) 4.248 17.235 ( -13.212 -5.305 -0.576) 14.249 ======================= Grid point 138 (87/156) ======================= q-point: ( 0.10 -0.10 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( -5.198 -7.086 -0.000) 8.789 2.326 ( -9.139 -8.683 0.000) 12.607 2.611 ( -0.548 6.585 0.000) 6.608 3.408 ( 8.316 -7.891 -0.000) 11.464 3.798 ( 7.405 4.524 -0.000) 8.678 4.289 ( 0.165 -1.175 -0.000) 1.186 4.690 ( 3.909 10.779 0.000) 11.466 5.114 ( -8.281 12.578 0.000) 15.059 5.950 ( 1.113 -2.431 -0.000) 2.674 6.246 ( -0.711 5.731 0.000) 5.775 6.459 ( 2.577 4.297 0.000) 5.010 6.745 ( -6.423 2.002 0.000) 6.728 7.076 ( -5.935 0.092 0.000) 5.936 7.584 ( -1.648 -1.230 0.000) 2.057 7.895 ( 10.398 -8.664 -0.000) 13.535 8.574 ( 9.026 -4.370 -0.000) 10.029 9.034 ( 4.217 -4.766 -0.000) 6.364 9.291 ( -0.308 0.254 0.000) 0.399 9.394 ( -4.529 0.174 0.000) 4.533 9.684 ( -6.172 -2.369 0.000) 6.611 10.150 ( -3.632 -2.593 0.000) 4.462 10.693 ( -6.280 6.206 0.000) 8.829 10.932 ( -0.260 1.715 0.000) 1.735 11.144 ( 1.063 -8.873 -0.000) 8.936 11.271 ( 2.647 -4.784 -0.000) 5.467 11.832 ( 3.317 -1.825 -0.000) 3.786 11.999 ( 3.345 -2.523 -0.000) 4.189 12.386 ( 2.441 -6.355 -0.000) 6.807 12.881 ( -6.204 2.619 0.000) 6.734 13.048 ( -2.776 4.148 0.000) 4.992 13.281 ( 6.975 11.562 0.000) 13.503 14.049 ( -0.585 -1.109 -0.000) 1.253 14.208 ( -13.645 -6.662 0.000) 15.185 14.476 ( 3.566 -4.292 -0.000) 5.580 14.996 ( 1.488 2.948 0.000) 3.302 17.068 ( 5.272 17.020 0.000) 17.818 ======================= Grid point 141 (88/156) ======================= q-point: ( 0.10 0.50 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 11.890 -2.378 10.991) 16.365 2.136 ( 3.739 -8.821 15.349) 18.094 2.898 ( -2.220 -5.465 -2.497) 6.405 3.240 ( 2.691 0.649 -3.631) 4.566 3.795 ( -2.009 -13.419 -8.814) 16.179 4.136 ( 0.914 -2.111 -3.326) 4.044 4.869 ( -10.550 0.994 0.603) 10.614 5.526 ( 6.452 -3.749 -0.143) 7.463 5.794 ( -4.032 1.838 5.506) 7.067 6.146 ( 2.124 4.724 -4.279) 6.719 6.422 ( 2.687 -7.690 3.150) 8.734 6.647 ( -0.724 -4.656 -0.319) 4.723 6.705 ( -3.050 -4.492 5.443) 7.689 7.597 ( 4.791 3.547 -2.134) 6.332 7.929 ( -0.852 -2.847 -3.189) 4.359 8.554 ( 0.411 3.063 -5.722) 6.504 8.849 ( -3.234 -1.529 -7.332) 8.159 9.333 ( -0.342 -6.451 0.747) 6.503 9.518 ( 7.063 0.830 3.299) 7.840 9.669 ( -2.074 0.678 -7.279) 7.599 10.277 ( 2.432 -0.974 4.425) 5.142 10.725 ( -5.467 5.990 5.963) 10.066 10.921 ( 1.449 16.049 2.953) 16.383 11.241 ( 0.386 2.170 -4.449) 4.965 11.518 ( 5.629 2.516 7.336) 9.583 11.705 ( -2.241 -4.963 -5.050) 7.427 12.018 ( -0.643 -1.994 5.507) 5.892 12.385 ( 6.598 9.905 0.557) 11.914 12.478 ( -3.747 0.652 -5.601) 6.771 12.945 ( -6.953 1.089 6.400) 9.513 13.409 ( -8.227 -4.603 2.443) 9.739 13.721 ( 3.736 1.419 -2.646) 4.793 14.415 ( -0.340 4.737 6.826) 8.315 14.645 ( 6.915 -0.266 4.350) 8.174 15.365 ( -1.510 4.531 -6.942) 8.426 17.345 ( -5.188 -8.720 -6.065) 11.821 ======================= Grid point 142 (89/156) ======================= q-point: ( 0.10 0.70 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 2.427 -4.789 4.909) 7.275 2.384 ( -0.135 -4.215 2.728) 5.022 2.846 ( -2.976 5.139 -2.754) 6.546 3.302 ( -4.227 -11.788 -4.830) 13.422 3.398 ( 8.174 -2.568 -4.329) 9.599 4.259 ( 2.436 -3.494 1.715) 4.592 4.632 ( -0.329 6.563 -0.029) 6.571 5.463 ( -8.078 11.546 4.392) 14.760 5.824 ( 1.698 1.735 -3.892) 4.587 6.158 ( 2.434 4.165 1.118) 4.952 6.482 ( -1.459 0.753 -1.036) 1.941 6.725 ( 8.070 -5.769 0.725) 9.947 6.994 ( 3.284 2.118 8.807) 9.634 7.694 ( -1.401 -6.813 -6.359) 9.424 7.721 ( 0.491 3.176 -1.569) 3.576 8.346 ( 1.919 -4.186 -5.850) 7.445 8.950 ( -0.207 -4.318 3.865) 5.798 9.236 ( 3.526 -3.996 -6.702) 8.563 9.460 ( -0.266 -7.939 0.745) 7.978 9.998 ( -1.491 1.185 7.787) 8.016 10.420 ( -11.646 7.529 1.617) 13.961 10.593 ( 4.015 -2.503 10.035) 11.094 10.903 ( 5.329 4.849 -3.024) 7.813 11.172 ( -5.950 2.745 -0.050) 6.553 11.371 ( -5.120 -3.946 -7.473) 9.881 11.813 ( 2.420 -0.817 1.884) 3.174 12.023 ( -3.971 1.383 -7.657) 8.735 12.235 ( 2.190 -3.043 2.136) 4.315 12.719 ( 7.984 1.002 2.750) 8.503 12.995 ( 4.151 5.118 2.309) 6.983 13.252 ( -0.061 4.538 -2.239) 5.060 13.843 ( 5.163 -3.584 -2.383) 6.721 14.396 ( -6.931 4.046 10.167) 12.953 14.781 ( -3.341 -3.314 -2.303) 5.239 15.140 ( -5.838 1.857 -2.871) 6.766 17.040 ( -3.812 5.674 -1.706) 7.046 ======================= Grid point 143 (90/156) ======================= q-point: ( 0.10 -0.10 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -5.967 -20.315 -0.000) 21.173 1.999 ( -12.508 -4.052 0.000) 13.148 2.678 ( -7.199 5.952 0.000) 9.341 3.465 ( 9.985 -5.148 -0.000) 11.234 3.964 ( 0.236 6.789 0.000) 6.793 4.289 ( 2.597 -2.176 -0.000) 3.388 5.051 ( 0.723 12.043 0.000) 12.065 5.204 ( -4.156 12.290 0.000) 12.974 5.827 ( -1.135 -6.409 -0.000) 6.509 6.273 ( -1.936 -2.324 -0.000) 3.024 6.437 ( -5.950 -1.108 0.000) 6.053 6.758 ( -1.559 -2.909 -0.000) 3.300 6.973 ( -7.849 9.642 0.000) 12.433 7.512 ( -1.976 -1.665 0.000) 2.584 7.886 ( 3.913 -8.213 -0.000) 9.098 8.703 ( 8.247 -0.435 -0.000) 8.259 8.916 ( -1.543 -4.395 -0.000) 4.658 9.287 ( 7.086 -4.900 -0.000) 8.616 9.539 ( 4.093 8.597 0.000) 9.522 9.635 ( 3.455 3.147 -0.000) 4.674 10.019 ( -5.099 -0.931 0.000) 5.183 10.665 ( 0.054 -0.529 -0.000) 0.532 10.979 ( -0.889 3.900 0.000) 4.000 11.022 ( 3.703 -8.577 -0.000) 9.342 11.209 ( -3.123 -1.129 0.000) 3.321 11.802 ( -1.719 -6.219 -0.000) 6.452 12.019 ( 5.913 -1.278 -0.000) 6.049 12.358 ( 5.012 -4.968 -0.000) 7.057 12.790 ( -6.333 2.232 0.000) 6.715 12.963 ( -13.313 4.605 0.000) 14.087 13.534 ( -3.856 -6.370 -0.000) 7.446 13.800 ( -4.155 2.719 0.000) 4.965 14.025 ( 1.637 -0.814 -0.000) 1.828 14.503 ( 2.660 -3.553 -0.000) 4.438 15.208 ( 8.975 6.923 -0.000) 11.335 17.513 ( 5.838 14.542 0.000) 15.670 ======================= Grid point 146 (91/156) ======================= q-point: ( 0.10 0.50 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 7.743 -5.741 13.235) 16.373 2.020 ( 8.738 -11.775 10.583) 18.083 2.852 ( 3.788 1.294 6.704) 7.808 3.274 ( 3.801 -3.849 -6.805) 8.694 3.498 ( -3.960 -6.514 -10.297) 12.812 4.136 ( 0.977 -0.076 -0.586) 1.142 4.812 ( -2.506 6.529 -2.850) 7.552 5.500 ( -0.193 -3.952 2.329) 4.591 5.810 ( 4.756 0.910 4.082) 6.333 6.271 ( -0.425 -3.622 -0.891) 3.755 6.388 ( 8.968 -4.241 0.991) 9.970 6.544 ( -1.087 2.559 -0.937) 2.934 6.681 ( 3.833 -1.944 8.296) 9.343 7.708 ( 1.294 -2.057 -7.706) 8.080 7.851 ( -1.290 0.214 -1.081) 1.696 8.572 ( -5.865 2.750 -12.361) 13.955 8.847 ( 2.099 4.136 3.361) 5.728 9.145 ( 0.467 -8.278 -3.411) 8.965 9.502 ( -3.596 -2.124 -9.708) 10.568 9.824 ( 6.601 4.161 3.584) 8.587 10.278 ( 3.160 -6.338 3.491) 7.895 10.730 ( -8.140 7.018 6.501) 12.561 11.067 ( -4.677 4.189 -1.627) 6.486 11.299 ( -2.972 3.587 1.931) 5.043 11.441 ( -3.720 -7.132 -4.029) 8.997 11.720 ( 0.918 3.569 5.722) 6.806 12.003 ( 0.840 0.053 6.422) 6.477 12.398 ( -3.464 -2.435 -7.735) 8.818 12.748 ( 3.695 9.806 0.807) 10.510 12.891 ( 2.095 1.697 3.180) 4.169 13.274 ( -2.814 6.232 6.077) 9.148 13.827 ( 2.609 0.681 0.801) 2.813 14.335 ( -5.479 -3.167 7.672) 9.945 14.691 ( -1.152 -4.742 2.893) 5.673 15.425 ( -3.160 4.938 -7.371) 9.418 17.185 ( 2.822 -1.735 -7.319) 8.034 ======================= Grid point 147 (92/156) ======================= q-point: ( 0.10 0.70 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -4.400 -15.155 -3.884) 16.252 2.384 ( -5.119 0.153 9.425) 10.727 2.821 ( -3.513 4.431 -7.122) 9.094 3.168 ( 5.786 -4.952 -3.790) 8.507 3.692 ( 14.696 5.206 -3.376) 15.952 4.200 ( 3.054 -5.637 -3.841) 7.474 4.821 ( 0.507 11.801 3.981) 12.465 5.531 ( -7.335 9.408 6.686) 13.675 5.881 ( -0.808 -1.505 -1.885) 2.544 6.268 ( 2.280 1.867 4.767) 5.605 6.492 ( 1.881 2.847 -1.884) 3.897 6.805 ( 2.114 0.149 2.710) 3.440 7.047 ( 1.790 -2.002 9.132) 9.519 7.549 ( 0.815 -5.122 -3.229) 6.110 7.783 ( 1.179 1.704 -7.207) 7.499 8.386 ( 6.389 -0.297 -5.352) 8.340 8.883 ( 0.719 -1.627 0.225) 1.793 9.217 ( -2.595 -8.358 -4.548) 9.863 9.328 ( 6.397 -3.079 -1.902) 7.350 9.945 ( -6.803 3.121 3.722) 8.359 10.276 ( -11.790 3.904 0.287) 12.422 10.607 ( 2.991 -4.797 12.452) 13.675 10.880 ( -4.245 -8.549 -3.018) 10.011 11.087 ( 0.613 1.319 -3.126) 3.448 11.333 ( -3.044 4.822 -1.584) 5.918 11.795 ( 0.606 -2.819 -3.077) 4.217 11.997 ( -2.027 1.841 -3.209) 4.218 12.178 ( 1.091 -4.682 3.360) 5.865 12.847 ( 1.643 0.337 0.698) 1.817 13.231 ( 4.829 1.868 3.469) 6.233 13.405 ( 2.511 10.466 1.036) 10.813 13.872 ( 0.896 -3.543 0.207) 3.660 14.268 ( -6.759 -3.062 3.120) 8.050 14.475 ( -6.019 -6.319 0.012) 8.727 15.141 ( -2.875 4.626 -5.284) 7.589 17.274 ( 5.151 13.026 -0.103) 14.008 ======================= Grid point 148 (93/156) ======================= q-point: ( 0.10 -0.10 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -10.120 -16.407 -0.000) 19.277 1.594 ( -20.070 -4.837 0.000) 20.644 2.488 ( -20.573 0.750 0.000) 20.587 3.571 ( 5.246 0.461 -0.000) 5.266 4.151 ( 1.393 5.728 0.000) 5.895 4.279 ( 4.605 -4.270 -0.000) 6.280 4.949 ( -19.300 6.961 0.000) 20.517 5.457 ( 1.044 8.414 0.000) 8.478 5.731 ( 2.947 -7.188 -0.000) 7.769 6.131 ( 1.858 -7.662 -0.000) 7.884 6.354 ( 0.541 -2.627 -0.000) 2.682 6.558 ( -6.159 -4.390 0.000) 7.564 6.950 ( -13.001 5.502 0.000) 14.117 7.461 ( -0.276 -2.201 -0.000) 2.219 7.805 ( 2.316 -2.534 -0.000) 3.433 8.725 ( -1.119 -2.398 -0.000) 2.646 9.001 ( 3.194 2.449 -0.000) 4.025 9.362 ( 10.124 -2.103 -0.000) 10.341 9.724 ( 3.646 1.826 -0.000) 4.078 9.938 ( 9.561 8.473 -0.000) 12.775 10.052 ( 3.585 10.668 0.000) 11.254 10.678 ( 4.950 -3.911 -0.000) 6.308 10.976 ( 4.113 -5.337 -0.000) 6.738 11.016 ( -2.423 2.347 0.000) 3.373 11.122 ( -1.603 -1.187 0.000) 1.994 11.586 ( -4.644 -5.033 -0.000) 6.848 12.167 ( 8.552 -2.203 -0.000) 8.831 12.281 ( -4.106 -2.289 0.000) 4.701 12.678 ( -13.753 3.758 0.000) 14.257 12.875 ( 2.945 1.294 -0.000) 3.217 13.160 ( -12.418 -6.505 0.000) 14.019 13.771 ( -3.331 -4.893 -0.000) 5.919 14.169 ( 5.152 5.070 -0.000) 7.228 14.480 ( 3.362 -3.330 -0.000) 4.731 15.535 ( 10.125 5.434 -0.000) 11.491 17.815 ( 2.274 7.632 0.000) 7.963 ======================= Grid point 150 (94/156) ======================= q-point: ( 0.10 0.30 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 9.084 -8.732 19.449) 23.173 1.279 ( 12.156 -10.658 19.311) 25.185 2.287 ( 8.792 -9.188 35.394) 37.609 3.314 ( 4.229 -0.490 -10.354) 11.195 3.475 ( 5.684 -11.376 -14.043) 18.945 4.360 ( -5.575 5.987 -4.284) 9.234 5.025 ( -6.430 8.685 5.128) 11.961 5.418 ( 1.987 -6.250 -6.819) 9.462 5.624 ( 4.899 -1.531 5.682) 7.657 6.037 ( 3.985 -5.645 -3.288) 7.653 6.143 ( 7.270 -8.089 -5.572) 12.220 6.513 ( 2.435 -1.942 2.202) 3.815 6.660 ( -1.913 3.390 4.262) 5.772 7.802 ( 0.820 -1.059 -6.319) 6.460 7.997 ( -9.514 11.010 3.500) 14.966 8.748 ( -0.838 -3.508 2.359) 4.309 8.846 ( 2.540 -0.895 -4.248) 5.029 9.446 ( -9.017 5.406 -15.299) 18.563 9.572 ( 2.944 4.599 -0.096) 5.461 9.992 ( -0.066 -1.031 -14.124) 14.162 10.060 ( 4.642 -6.091 -7.467) 10.696 10.847 ( -4.200 4.619 3.388) 7.103 11.101 ( 1.076 -0.615 4.459) 4.628 11.194 ( 2.954 -5.060 3.694) 6.926 11.652 ( -13.049 5.717 10.316) 17.589 11.749 ( -2.902 9.266 1.657) 9.850 11.999 ( -7.766 5.745 6.280) 11.522 12.396 ( 12.910 0.261 1.019) 12.953 12.496 ( -2.231 -9.517 1.283) 9.859 13.060 ( -2.502 10.658 6.985) 12.986 13.362 ( -4.759 7.358 11.858) 14.745 13.603 ( 2.411 -8.053 6.936) 10.898 14.355 ( -7.005 3.810 1.616) 8.136 14.618 ( -0.006 -0.272 0.722) 0.771 15.702 ( -1.923 2.470 -8.173) 8.752 17.086 ( 14.989 -14.463 -14.622) 25.449 ======================= Grid point 151 (95/156) ======================= q-point: ( 0.10 0.50 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 1.923 -12.843 6.462) 14.505 2.107 ( 7.939 -1.538 13.836) 16.026 2.987 ( 5.040 -1.194 0.154) 5.182 3.185 ( -3.744 -0.053 -7.043) 7.977 3.625 ( 14.228 5.838 -7.841) 17.262 4.154 ( 2.907 -1.896 -5.559) 6.553 5.004 ( 0.216 13.725 2.449) 13.944 5.374 ( -0.099 -8.908 6.207) 10.858 5.946 ( 2.006 1.250 4.587) 5.160 6.153 ( 0.460 -3.565 -0.924) 3.711 6.449 ( 5.876 -3.111 5.002) 8.320 6.638 ( 4.902 -0.552 2.010) 5.327 6.793 ( 5.993 2.352 2.202) 6.804 7.554 ( -4.783 -4.664 -4.588) 8.104 7.912 ( 2.601 1.215 -4.366) 5.225 8.539 ( -3.461 4.177 -3.456) 6.432 8.908 ( -0.477 -1.488 -5.322) 5.547 9.178 ( 6.809 4.380 -0.255) 8.101 9.356 ( -5.009 -3.048 -11.083) 12.539 9.953 ( 0.592 -2.675 -2.695) 3.843 10.215 ( 5.159 -3.522 5.771) 8.504 10.642 ( -13.289 6.264 5.988) 15.865 10.948 ( -8.957 -3.788 -2.030) 9.935 11.178 ( -4.436 1.479 -0.588) 4.713 11.406 ( -0.185 1.118 4.698) 4.833 11.780 ( 0.389 1.724 0.310) 1.794 12.001 ( -0.285 -0.068 7.030) 7.036 12.248 ( -6.054 -1.325 -6.693) 9.122 12.834 ( 3.635 -7.718 1.236) 8.620 13.000 ( 0.862 3.219 0.276) 3.343 13.500 ( 0.654 8.626 8.404) 12.061 13.755 ( -0.682 -4.131 6.011) 7.325 14.286 ( -1.182 2.943 3.342) 4.608 14.478 ( -4.666 -3.669 -0.817) 5.992 15.401 ( -4.945 1.051 -7.062) 8.685 17.366 ( 8.911 4.506 -5.857) 11.576 ======================= Grid point 152 (96/156) ======================= q-point: ( 0.10 -0.30 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -7.672 -9.737 -4.664) 13.245 2.220 ( -10.465 0.470 1.928) 10.651 2.906 ( 0.441 3.888 -5.002) 6.351 3.220 ( 6.127 -1.584 -0.167) 6.331 4.001 ( 6.088 1.899 -3.500) 7.275 4.221 ( 6.110 -0.101 -4.551) 7.620 5.127 ( 4.799 11.099 2.852) 12.424 5.487 ( -6.478 0.756 11.236) 12.991 5.766 ( -4.839 -1.709 -1.343) 5.304 6.210 ( -3.596 -6.677 -1.267) 7.689 6.558 ( -2.603 0.243 1.139) 2.852 6.772 ( -3.323 -1.136 0.306) 3.525 7.098 ( 1.453 4.318 9.248) 10.309 7.488 ( 0.241 -3.643 0.599) 3.700 7.833 ( 1.042 -0.654 -10.486) 10.558 8.540 ( 6.778 2.230 0.227) 7.139 8.839 ( 1.462 -4.987 -3.467) 6.247 9.126 ( 4.985 1.471 -4.092) 6.615 9.444 ( 5.070 0.872 -2.427) 5.688 9.896 ( -3.690 4.074 4.819) 7.310 10.161 ( -8.655 5.574 0.574) 10.311 10.538 ( 0.769 -3.761 5.621) 6.807 10.731 ( 2.628 -5.233 0.550) 5.881 11.079 ( -0.981 -1.421 -1.696) 2.421 11.379 ( -1.988 4.487 -4.334) 6.548 11.715 ( -1.280 -6.400 -4.190) 7.756 11.967 ( -0.625 0.136 -0.856) 1.069 12.199 ( 4.054 1.070 3.627) 5.544 12.788 ( -5.151 -2.207 5.193) 7.640 13.181 ( -1.268 -8.336 1.886) 8.640 13.558 ( -4.622 5.076 1.112) 6.955 13.775 ( 0.799 -6.576 0.411) 6.637 14.106 ( -4.535 3.976 -3.186) 6.821 14.440 ( 1.418 -0.366 -1.818) 2.335 15.225 ( 3.539 4.494 -2.314) 6.171 17.618 ( 5.382 8.951 2.458) 10.729 ======================= Grid point 153 (97/156) ======================= q-point: ( 0.15 -0.15 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -14.241 11.063 0.000) 18.033 1.559 ( -23.016 1.659 0.000) 23.076 2.475 ( -23.167 -2.078 0.000) 23.260 3.648 ( 6.989 7.307 0.000) 10.112 4.095 ( -6.983 -10.046 -0.000) 12.235 4.238 ( 7.215 -0.683 -0.000) 7.247 5.052 ( -11.946 -0.867 0.000) 11.977 5.389 ( 1.743 -10.334 -0.000) 10.480 5.777 ( -0.741 10.147 0.000) 10.174 6.067 ( 3.397 2.021 -0.000) 3.953 6.297 ( -3.106 -2.021 0.000) 3.705 6.499 ( -5.286 -1.815 0.000) 5.589 7.006 ( -11.452 -0.372 0.000) 11.458 7.412 ( -0.297 -1.699 -0.000) 1.725 7.810 ( 4.162 2.166 -0.000) 4.692 8.672 ( -1.228 -2.692 -0.000) 2.959 9.015 ( -1.071 -1.307 -0.000) 1.690 9.334 ( 12.040 0.440 -0.000) 12.048 9.775 ( 3.937 2.852 -0.000) 4.861 10.141 ( 3.706 11.331 0.000) 11.922 10.204 ( 9.751 1.131 -0.000) 9.816 10.644 ( 3.692 3.762 0.000) 5.271 10.851 ( 5.248 -7.232 -0.000) 8.935 10.987 ( -3.031 -7.560 -0.000) 8.145 11.131 ( -2.193 3.373 0.000) 4.024 11.535 ( -0.361 -1.415 -0.000) 1.460 12.071 ( 1.870 -1.653 -0.000) 2.496 12.392 ( -4.401 8.207 0.000) 9.313 12.679 ( -4.073 -2.302 0.000) 4.679 12.858 ( 2.956 -3.553 -0.000) 4.622 13.145 ( -14.628 5.472 0.000) 15.618 13.649 ( -4.848 -6.879 -0.000) 8.416 14.180 ( 5.893 -3.692 -0.000) 6.953 14.462 ( 3.532 1.552 -0.000) 3.858 15.613 ( 8.788 2.077 -0.000) 9.030 17.902 ( 1.529 0.540 -0.000) 1.621 ======================= Grid point 155 (98/156) ======================= q-point: ( 0.15 0.25 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 4.757 -0.253 22.634) 23.129 1.205 ( 15.485 -0.350 21.378) 26.399 2.200 ( 12.550 0.158 41.252) 43.119 3.303 ( 3.450 -2.880 -11.998) 12.813 3.371 ( 9.917 3.414 -12.338) 16.193 4.423 ( -6.654 -0.112 -3.040) 7.316 5.154 ( -8.138 -1.897 4.357) 9.424 5.321 ( 2.076 2.573 -7.990) 8.647 5.597 ( 8.681 -1.155 6.491) 10.900 6.005 ( 4.478 1.082 -6.750) 8.173 6.036 ( 6.375 -0.251 -4.137) 7.604 6.489 ( 4.152 -0.289 1.493) 4.422 6.692 ( -2.436 -0.287 6.446) 6.897 7.789 ( 0.182 0.028 -7.556) 7.558 8.130 ( -16.537 -0.633 0.198) 16.550 8.692 ( -1.934 1.388 1.886) 3.037 8.852 ( 8.336 -0.349 -3.062) 8.887 9.515 ( -6.452 2.367 -1.076) 6.956 9.613 ( -4.989 -4.449 -14.594) 16.052 9.943 ( 4.351 1.854 -8.378) 9.620 10.021 ( 6.199 -0.156 -14.705) 15.959 10.894 ( -5.568 -0.370 1.086) 5.685 11.071 ( -0.022 0.414 5.783) 5.797 11.165 ( 6.721 0.341 4.121) 7.891 11.701 ( -11.107 0.847 6.180) 12.738 11.889 ( -5.888 -0.716 4.884) 7.683 12.089 ( -10.501 3.721 5.182) 12.287 12.260 ( 1.517 -6.348 3.648) 7.477 12.498 ( 5.205 3.196 -1.123) 6.210 13.163 ( -8.025 -4.304 9.140) 12.902 13.400 ( -5.173 0.004 10.917) 12.080 13.547 ( 5.066 2.302 8.274) 9.972 14.463 ( -7.923 1.664 2.377) 8.437 14.582 ( -3.387 -0.368 -0.353) 3.425 15.717 ( -1.554 -0.207 -9.344) 9.475 16.905 ( 26.487 -0.200 -11.012) 28.685 ======================= Grid point 156 (99/156) ======================= q-point: ( 0.15 0.45 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 2.005 0.034 9.930) 10.130 2.097 ( 8.630 0.524 15.715) 17.936 2.942 ( 5.388 -2.438 -3.799) 7.029 3.204 ( -1.917 1.291 -3.033) 3.813 3.750 ( 15.899 5.643 -8.094) 18.712 4.130 ( 1.103 -0.454 -6.358) 6.469 5.119 ( -1.429 -12.533 7.881) 14.873 5.308 ( 4.550 12.873 -2.415) 13.865 5.906 ( -0.958 -5.393 4.139) 6.865 6.121 ( 2.114 0.506 -0.628) 2.262 6.399 ( 7.423 -0.882 4.595) 8.774 6.634 ( 3.515 0.255 2.801) 4.502 6.796 ( 6.173 -2.982 0.823) 6.905 7.525 ( -5.330 1.690 -3.180) 6.433 7.927 ( 3.107 0.580 -3.458) 4.685 8.567 ( -3.366 -1.119 -2.110) 4.127 8.890 ( 0.814 -0.448 -9.543) 9.588 9.306 ( 4.162 3.423 -4.744) 7.179 9.351 ( -3.560 6.557 0.246) 7.465 9.805 ( 0.046 -9.565 -5.421) 10.994 10.227 ( 4.574 2.611 3.583) 6.370 10.736 ( -6.868 3.389 3.412) 8.384 10.907 ( -14.556 -0.671 3.021) 14.881 11.223 ( -5.130 2.230 -2.365) 6.073 11.433 ( -0.597 2.337 7.497) 7.875 11.767 ( -0.092 -3.232 -2.885) 4.333 12.022 ( 0.460 1.203 5.557) 5.705 12.261 ( -6.417 3.700 -2.184) 7.723 12.624 ( 2.801 -10.328 -1.121) 10.760 13.047 ( -4.531 -1.534 4.759) 6.747 13.520 ( 3.710 -2.421 5.843) 7.332 13.723 ( -2.476 -2.901 2.432) 4.523 14.352 ( -6.347 5.124 3.304) 8.801 14.511 ( 2.493 5.448 1.843) 6.269 15.394 ( -4.740 -1.304 -7.479) 8.950 17.406 ( 11.103 -0.612 -5.938) 12.606 ======================= Grid point 157 (100/156) ======================= q-point: ( 0.15 -0.35 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -7.136 7.031 -1.336) 10.107 2.243 ( -10.623 1.823 3.246) 11.256 2.941 ( 1.076 -0.441 -7.269) 7.361 3.248 ( 5.278 4.381 4.235) 8.061 3.988 ( 4.188 -2.000 -7.721) 9.009 4.245 ( 8.501 1.169 -4.117) 9.518 5.184 ( -3.432 -8.634 8.264) 12.434 5.516 ( 2.473 6.441 1.661) 7.096 5.692 ( -5.407 -7.144 1.862) 9.151 6.116 ( -4.035 -2.234 -1.742) 4.930 6.540 ( -2.497 -0.749 0.393) 2.636 6.759 ( -3.383 -0.211 -0.495) 3.425 7.107 ( 3.665 -5.044 5.473) 8.296 7.470 ( -1.228 2.883 3.038) 4.364 7.807 ( -0.974 -1.780 -10.331) 10.529 8.577 ( 5.208 -0.474 3.007) 6.032 8.803 ( 3.754 3.289 -4.863) 6.968 9.224 ( 2.707 7.623 -3.840) 8.955 9.503 ( 3.239 4.891 -0.147) 5.868 9.899 ( 3.421 -2.201 5.009) 6.453 10.281 ( -10.022 4.858 2.656) 11.450 10.470 ( 4.676 -2.849 2.787) 6.144 10.693 ( -2.652 -0.262 3.000) 4.013 11.046 ( -1.734 -1.471 -1.986) 3.019 11.461 ( -1.737 2.917 -6.701) 7.512 11.589 ( -2.876 -4.758 -4.957) 7.448 12.003 ( -1.018 4.179 2.186) 4.825 12.248 ( 4.506 3.381 3.905) 6.855 12.709 ( -4.155 -6.611 8.354) 11.435 13.012 ( 1.216 -6.222 -5.657) 8.497 13.580 ( -3.330 -8.873 -1.961) 9.678 13.692 ( -0.017 4.732 1.074) 4.852 14.199 ( -5.102 3.721 1.432) 6.475 14.440 ( -2.495 0.321 -4.131) 4.837 15.303 ( 5.075 3.395 -0.375) 6.117 17.705 ( 5.925 -0.356 2.442) 6.419 ======================= Grid point 170 (101/156) ======================= q-point: ( 0.15 0.25 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 4.661 4.744 3.208) 7.384 2.356 ( 1.422 8.461 7.259) 11.239 2.755 ( 2.141 -2.345 5.679) 6.506 3.549 ( -2.028 8.065 -2.671) 8.735 3.818 ( 2.335 -2.174 -2.643) 4.143 4.223 ( 4.997 -7.691 -2.642) 9.545 4.638 ( -5.134 -9.017 -5.090) 11.557 5.086 ( -5.110 -6.569 3.304) 8.955 5.895 ( 0.929 4.618 -0.466) 4.733 6.240 ( 0.033 -1.529 -0.981) 1.817 6.440 ( 0.528 -3.672 -1.874) 4.157 6.660 ( 0.282 -2.243 2.894) 3.672 6.878 ( 5.838 5.149 -1.283) 7.890 7.675 ( -2.050 2.608 1.722) 3.738 8.009 ( 0.397 3.280 -2.887) 4.387 8.691 ( -0.344 -3.578 -4.075) 5.434 8.950 ( 5.228 4.636 -1.509) 7.149 9.314 ( -2.296 -4.051 3.948) 6.105 9.424 ( -2.335 -0.049 1.756) 2.922 9.732 ( -3.571 -0.156 4.113) 5.449 10.061 ( 2.231 4.428 -0.945) 5.047 10.562 ( -1.990 2.867 1.831) 3.941 10.888 ( -0.120 -1.816 -4.975) 5.298 11.136 ( -1.219 -2.883 0.788) 3.228 11.546 ( -0.601 5.701 9.374) 10.987 11.923 ( 2.485 -1.423 -5.248) 5.979 12.052 ( 4.278 5.417 3.700) 7.832 12.262 ( -7.837 2.266 -5.880) 10.057 12.700 ( 5.794 -1.026 -0.412) 5.899 12.918 ( 3.827 4.096 -1.172) 5.727 13.498 ( 2.466 0.983 -5.120) 5.767 13.841 ( -6.626 -9.107 6.275) 12.892 14.085 ( 9.800 5.355 -0.226) 11.170 14.669 ( -6.198 4.998 3.512) 8.702 15.145 ( -3.427 -7.270 1.949) 8.270 17.079 ( -5.552 -13.899 -4.807) 15.720 ======================= Grid point 171 (102/156) ======================= q-point: ( 0.15 -0.55 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -4.575 2.412 -4.351) 6.759 2.365 ( -2.738 5.889 0.411) 6.507 2.817 ( -4.133 -3.105 -5.705) 7.699 3.532 ( 0.584 7.590 6.658) 10.113 3.881 ( -3.361 1.463 9.033) 9.748 4.138 ( -3.839 -9.415 -5.315) 11.473 4.575 ( 7.896 -4.416 0.863) 9.088 5.098 ( 5.013 -6.410 -5.134) 9.622 5.945 ( 0.048 1.156 -0.852) 1.437 6.185 ( 0.218 0.767 1.833) 1.999 6.428 ( 0.847 -3.908 -0.949) 4.110 6.618 ( 0.272 0.727 -5.486) 5.541 6.892 ( -4.780 3.794 -0.368) 6.114 7.716 ( 1.588 1.006 -2.380) 3.033 7.990 ( -0.634 4.676 5.270) 7.074 8.613 ( -0.476 1.325 2.829) 3.160 8.944 ( -2.078 1.319 -1.048) 2.675 9.365 ( -1.597 -3.877 6.339) 7.600 9.522 ( -2.989 -2.617 0.230) 3.980 9.756 ( 4.777 -4.471 2.181) 6.897 10.125 ( -2.764 0.696 -2.736) 3.951 10.541 ( 1.875 7.052 3.399) 8.050 10.865 ( 3.728 -5.073 -6.938) 9.369 11.079 ( 1.400 2.901 0.641) 3.285 11.583 ( -4.055 5.379 -0.600) 6.763 11.798 ( 1.847 4.011 -2.217) 4.941 12.001 ( -2.376 4.992 -3.337) 6.458 12.356 ( 3.779 -0.341 8.804) 9.587 12.763 ( -4.496 -4.362 -2.596) 6.781 12.911 ( -1.796 2.964 -2.118) 4.062 13.564 ( -5.328 -1.336 6.693) 8.659 13.733 ( 10.551 -3.592 -8.986) 14.317 14.132 ( -13.134 2.430 -0.470) 13.365 14.565 ( 9.309 9.632 -4.123) 14.016 15.211 ( 1.329 -9.228 2.465) 9.643 17.084 ( 5.880 -14.309 4.225) 16.036 ======================= Grid point 173 (103/156) ======================= q-point: ( 0.15 -0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 18.045 10.186 -0.000) 20.721 2.055 ( 6.247 17.637 0.000) 18.711 2.724 ( -4.128 8.816 0.000) 9.735 3.659 ( 11.410 -8.736 -0.000) 14.370 3.884 ( -7.611 -4.759 0.000) 8.977 4.248 ( -2.687 3.844 0.000) 4.690 4.942 ( -16.776 2.060 0.000) 16.902 5.271 ( -7.128 3.989 0.000) 8.168 5.909 ( 6.982 -9.240 -0.000) 11.581 6.058 ( 1.633 3.592 0.000) 3.946 6.520 ( 6.184 4.915 -0.000) 7.900 6.564 ( -2.951 7.440 0.000) 8.004 7.010 ( -10.019 1.115 0.000) 10.081 7.444 ( 1.360 2.927 0.000) 3.227 7.807 ( 5.536 -2.902 -0.000) 6.251 8.606 ( -2.750 -2.599 0.000) 3.783 9.010 ( 2.074 -1.860 -0.000) 2.786 9.287 ( 5.720 1.576 -0.000) 5.933 9.732 ( 4.472 -5.955 -0.000) 7.447 10.016 ( -0.555 -5.890 -0.000) 5.916 10.354 ( 6.405 3.548 -0.000) 7.322 10.547 ( -7.831 -7.496 0.000) 10.840 10.712 ( 4.818 -1.723 -0.000) 5.117 10.873 ( -7.949 3.142 0.000) 8.547 11.232 ( 1.685 2.189 0.000) 2.762 11.527 ( 0.108 2.290 0.000) 2.292 12.194 ( 10.004 2.576 -0.000) 10.331 12.511 ( -1.645 -2.484 -0.000) 2.980 12.621 ( -1.358 -2.584 -0.000) 2.919 12.760 ( -1.605 1.363 0.000) 2.106 13.448 ( -0.459 -2.412 -0.000) 2.455 13.709 ( 5.489 12.345 0.000) 13.510 14.053 ( -5.468 3.936 0.000) 6.737 14.419 ( 0.688 -3.335 -0.000) 3.405 15.471 ( -0.919 -6.365 -0.000) 6.431 17.755 ( -9.051 -5.166 0.000) 10.422 ======================= Grid point 175 (104/156) ======================= q-point: ( 0.15 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 2.834 -1.167 0.362) 3.086 2.360 ( -1.471 -1.450 0.319) 2.090 2.854 ( 1.633 3.995 4.736) 6.407 3.677 ( -3.288 10.315 3.515) 11.383 3.807 ( -2.327 1.210 4.403) 5.124 4.160 ( 3.250 -8.533 -4.150) 10.029 4.291 ( -1.320 -10.395 -6.453) 12.306 5.005 ( 1.163 -2.045 1.130) 2.610 5.992 ( 0.201 2.831 -0.323) 2.857 6.168 ( -1.494 -2.188 1.716) 3.157 6.338 ( 0.424 -5.024 -1.465) 5.250 6.676 ( 2.004 0.463 -1.752) 2.702 7.032 ( 0.850 2.539 -0.870) 2.815 7.722 ( 0.458 2.075 3.079) 3.741 8.065 ( -4.117 6.864 -0.609) 8.027 8.570 ( -0.123 -6.301 -2.060) 6.630 9.109 ( -1.494 6.515 -1.611) 6.875 9.185 ( 1.452 -5.337 3.311) 6.447 9.431 ( 1.014 0.373 -0.896) 1.404 9.677 ( 0.251 -1.827 0.076) 1.845 10.260 ( 3.278 6.030 -2.814) 7.418 10.555 ( -1.929 1.633 5.157) 5.743 10.800 ( 0.772 -7.997 -4.744) 9.330 11.146 ( -0.112 3.355 -2.809) 4.377 11.656 ( -1.512 6.959 11.138) 13.220 11.964 ( 1.105 1.496 -9.396) 9.579 12.102 ( -2.647 0.404 5.653) 6.254 12.277 ( 1.903 1.170 -1.267) 2.568 12.794 ( -1.001 5.013 -1.317) 5.279 13.060 ( 0.497 5.061 -1.660) 5.349 13.352 ( -3.401 -9.430 11.235) 15.057 13.598 ( 4.496 -10.339 -11.399) 16.033 14.411 ( -0.407 7.881 1.328) 8.003 14.702 ( 1.245 8.441 0.789) 8.569 14.970 ( -0.358 -7.477 1.400) 7.616 16.725 ( -1.080 -11.522 -1.079) 11.623 ======================= Grid point 178 (105/156) ======================= q-point: ( 0.15 -0.15 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 10.115 5.640 -0.000) 11.581 2.444 ( 3.309 10.617 0.000) 11.121 2.713 ( -3.519 -0.158 0.000) 3.522 3.629 ( 1.406 -12.112 -0.000) 12.193 3.784 ( 1.544 0.035 -0.000) 1.544 4.177 ( 1.446 -5.778 -0.000) 5.956 4.669 ( -13.084 1.838 0.000) 13.212 5.227 ( -10.075 9.401 0.000) 13.780 5.834 ( 0.364 -3.821 -0.000) 3.838 6.111 ( 2.784 -4.503 -0.000) 5.294 6.510 ( -4.314 -0.389 0.000) 4.332 6.721 ( -1.992 10.125 0.000) 10.319 6.871 ( -0.276 -2.358 -0.000) 2.374 7.543 ( 1.364 3.662 0.000) 3.908 7.882 ( 7.344 -4.809 -0.000) 8.778 8.495 ( 0.527 -5.911 -0.000) 5.934 9.041 ( 1.888 0.158 -0.000) 1.895 9.419 ( 0.558 -0.679 -0.000) 0.879 9.706 ( 2.889 -5.617 -0.000) 6.316 10.022 ( 6.894 0.897 -0.000) 6.952 10.282 ( -11.489 4.475 0.000) 12.329 10.510 ( 0.871 3.335 0.000) 3.447 10.782 ( 8.975 -4.324 -0.000) 9.962 10.855 ( -5.314 8.867 0.000) 10.337 11.314 ( 2.713 2.149 -0.000) 3.461 11.634 ( 4.884 3.000 -0.000) 5.732 12.247 ( -12.051 -5.192 0.000) 13.122 12.415 ( 7.578 -2.306 -0.000) 7.921 12.631 ( 9.208 -3.874 -0.000) 9.990 12.851 ( 0.712 6.675 0.000) 6.713 13.226 ( -4.037 -9.775 -0.000) 10.576 14.021 ( 4.045 -3.983 -0.000) 5.677 14.161 ( 2.866 14.770 0.000) 15.045 14.406 ( -3.522 7.614 0.000) 8.389 15.338 ( -2.985 -3.320 -0.000) 4.464 17.369 ( -15.844 -7.372 0.000) 17.475 ======================= Grid point 180 (106/156) ======================= q-point: ( 0.15 0.25 -0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 0.461 -1.805 0.759) 2.012 2.378 ( 3.452 -0.031 -1.184) 3.650 2.877 ( -1.960 -0.719 2.426) 3.201 3.697 ( -7.545 -0.738 1.539) 7.735 3.841 ( -2.916 9.717 2.709) 10.501 4.121 ( 9.665 -10.693 -2.162) 14.575 4.265 ( 7.036 4.373 -3.640) 9.049 4.999 ( 1.362 -0.639 1.586) 2.186 5.974 ( -3.812 1.378 1.651) 4.376 6.171 ( 2.261 -0.345 1.596) 2.789 6.332 ( 3.974 -0.275 -1.088) 4.129 6.669 ( -1.201 -2.138 -1.083) 2.681 7.018 ( -3.681 -0.300 0.650) 3.750 7.731 ( -1.325 0.174 2.519) 2.852 8.072 ( -6.557 3.575 -1.794) 7.681 8.562 ( 6.077 -0.765 -1.389) 6.280 9.055 ( -6.485 -0.417 3.592) 7.425 9.253 ( 6.847 0.286 -2.811) 7.407 9.468 ( 3.106 0.224 -4.603) 5.558 9.683 ( 2.137 -1.071 -1.048) 2.610 10.258 ( -5.797 -1.659 -2.660) 6.591 10.638 ( -0.585 0.573 0.157) 0.834 10.690 ( 3.895 -0.096 3.000) 4.917 11.147 ( -3.263 -0.106 -2.755) 4.272 11.736 ( 0.106 0.909 12.553) 12.586 11.848 ( -8.609 -1.294 -7.599) 11.556 12.155 ( -2.157 -0.489 3.714) 4.323 12.257 ( 1.350 0.774 -2.388) 2.850 12.813 ( -5.019 2.336 -2.979) 6.286 13.027 ( -5.674 -0.042 1.683) 5.919 13.379 ( 8.242 4.664 10.651) 14.253 13.577 ( 10.253 -6.570 -11.361) 16.654 14.399 ( -8.396 2.388 2.509) 9.082 14.680 ( -8.655 -3.769 2.574) 9.785 15.019 ( 9.617 0.515 -3.051) 10.102 16.720 ( 11.179 1.310 -0.647) 11.274 ======================= Grid point 183 (107/156) ======================= q-point: ( 0.15 -0.15 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 1.404 5.509 0.000) 5.685 2.477 ( -2.081 -3.777 -0.000) 4.312 2.712 ( -2.794 3.113 0.000) 4.183 3.461 ( 4.331 -8.390 -0.000) 9.442 3.534 ( -5.405 -13.218 -0.000) 14.280 4.313 ( 7.377 1.624 -0.000) 7.554 4.516 ( -5.802 3.922 0.000) 7.003 5.241 ( -11.039 12.857 0.000) 16.946 5.782 ( 1.382 -1.641 -0.000) 2.146 6.115 ( 3.962 0.026 -0.000) 3.962 6.450 ( -2.557 1.632 0.000) 3.034 6.843 ( 3.757 -4.762 -0.000) 6.066 6.932 ( 1.628 10.592 0.000) 10.717 7.623 ( -0.268 2.841 0.000) 2.854 7.843 ( 3.972 -10.331 -0.000) 11.069 8.410 ( 4.624 -7.358 -0.000) 8.690 9.051 ( -3.319 0.629 0.000) 3.378 9.287 ( 1.680 -8.088 -0.000) 8.260 9.621 ( 0.020 -6.200 -0.000) 6.200 10.103 ( -8.137 2.748 0.000) 8.588 10.253 ( -3.002 4.495 0.000) 5.405 10.621 ( -0.260 9.349 0.000) 9.353 10.935 ( 15.040 -5.993 -0.000) 16.190 10.957 ( -5.961 11.628 0.000) 13.067 11.368 ( 0.274 -2.944 -0.000) 2.957 11.829 ( 6.954 3.455 -0.000) 7.765 11.940 ( -7.376 -4.055 0.000) 8.417 12.363 ( 1.795 -7.513 -0.000) 7.724 12.804 ( 10.255 -1.403 -0.000) 10.350 12.988 ( -0.461 0.738 0.000) 0.870 13.042 ( -1.748 4.369 0.000) 4.706 13.962 ( 5.567 -8.331 -0.000) 10.020 14.358 ( -6.180 10.442 0.000) 12.134 14.626 ( 1.111 10.137 0.000) 10.198 15.191 ( -5.783 -4.341 0.000) 7.231 16.971 ( -12.117 -0.325 0.000) 12.122 ======================= Grid point 187 (108/156) ======================= q-point: ( 0.15 0.65 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 13.491 1.435 4.024) 14.151 2.444 ( 2.884 3.660 9.858) 10.904 2.842 ( -2.066 -3.732 -9.395) 10.318 3.261 ( 4.458 -4.920 3.922) 7.711 3.905 ( -4.563 -6.497 -5.901) 9.892 4.053 ( 5.305 -5.947 -8.249) 11.470 4.929 ( -16.583 -1.868 3.352) 17.022 5.587 ( -0.489 0.265 -0.299) 0.632 5.748 ( 1.859 9.123 3.397) 9.911 6.057 ( -5.619 -2.154 -0.762) 6.066 6.532 ( 0.071 -2.085 -0.983) 2.306 6.764 ( -0.988 -4.155 1.756) 4.618 6.898 ( -3.864 -1.343 5.592) 6.929 7.570 ( 5.698 -1.068 1.912) 6.104 7.808 ( -2.061 2.050 -8.757) 9.227 8.464 ( -1.825 -3.668 -3.981) 5.713 8.835 ( 6.275 -4.033 -0.349) 7.468 9.367 ( 8.697 -3.410 -6.492) 11.376 9.557 ( -1.305 -2.725 1.900) 3.569 9.767 ( 4.098 -3.537 7.312) 9.097 10.366 ( 1.622 0.273 4.095) 4.413 10.620 ( 1.821 13.949 0.336) 14.072 10.748 ( -5.742 6.810 7.959) 11.945 11.100 ( 0.877 4.133 -2.809) 5.073 11.505 ( -0.082 1.022 -9.715) 9.769 11.639 ( 2.822 2.783 -1.906) 4.398 12.146 ( 3.367 1.466 3.727) 5.232 12.231 ( 2.244 -1.403 4.631) 5.334 12.502 ( -5.802 -5.244 -1.961) 8.063 13.000 ( -3.041 4.422 3.530) 6.424 13.382 ( -11.312 1.454 -6.014) 12.893 13.748 ( 5.827 -6.490 0.187) 8.724 14.396 ( 0.878 9.473 5.775) 11.129 14.604 ( 3.790 8.249 -1.923) 9.279 15.264 ( 1.103 -3.663 -1.956) 4.297 17.458 ( -8.706 -8.522 -0.293) 12.186 ======================= Grid point 188 (109/156) ======================= q-point: ( 0.15 -0.15 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( -5.651 -9.374 -0.000) 10.945 2.549 ( -12.948 -0.222 0.000) 12.950 2.578 ( 3.583 4.438 0.000) 5.703 3.274 ( 4.967 -9.613 -0.000) 10.820 3.590 ( 12.378 2.021 -0.000) 12.542 4.286 ( 0.240 -4.931 -0.000) 4.937 4.660 ( 0.220 9.587 0.000) 9.590 5.304 ( -10.646 15.152 0.000) 18.518 5.870 ( 6.053 0.952 -0.000) 6.128 6.238 ( 1.813 5.432 0.000) 5.726 6.438 ( -0.706 1.073 0.000) 1.284 6.828 ( -0.302 -0.517 -0.000) 0.598 7.131 ( 0.676 3.956 0.000) 4.014 7.610 ( -0.921 -2.610 -0.000) 2.767 7.730 ( 4.501 -6.164 -0.000) 7.632 8.402 ( 8.004 -5.835 -0.000) 9.905 8.955 ( 1.182 -4.520 -0.000) 4.672 9.276 ( 4.186 -2.716 -0.000) 4.990 9.454 ( -2.705 -7.633 -0.000) 8.098 9.920 ( -14.257 4.286 0.000) 14.887 10.216 ( -4.123 -0.325 0.000) 4.136 10.803 ( -2.520 8.255 0.000) 8.631 10.958 ( -1.981 -2.637 -0.000) 3.298 11.082 ( 4.745 -6.382 -0.000) 7.952 11.221 ( -0.411 -1.941 -0.000) 1.984 11.810 ( -1.328 -2.234 -0.000) 2.599 11.941 ( 2.641 -0.313 -0.000) 2.660 12.323 ( 3.691 -5.709 -0.000) 6.799 12.889 ( 4.187 -2.989 -0.000) 5.144 13.106 ( 1.677 13.160 0.000) 13.267 13.181 ( -0.275 8.106 0.000) 8.110 13.959 ( 8.214 -6.817 -0.000) 10.674 14.403 ( -7.449 7.059 0.000) 10.262 14.567 ( -9.434 -10.092 -0.000) 13.815 15.015 ( -3.548 1.306 0.000) 3.781 17.004 ( 1.176 13.460 0.000) 13.511 ======================= Grid point 192 (110/156) ======================= q-point: ( 0.15 0.65 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 10.982 0.602 8.485) 13.891 2.386 ( -0.069 -10.951 2.074) 11.146 2.842 ( 1.813 3.878 -0.140) 4.283 3.243 ( 4.469 -3.489 -2.928) 6.381 3.514 ( -10.874 -12.586 -5.851) 17.632 4.191 ( 4.398 0.213 1.922) 4.804 4.657 ( -3.847 0.555 -4.088) 5.640 5.576 ( -3.001 2.990 3.457) 5.468 5.835 ( -1.839 0.342 0.103) 1.873 6.103 ( 2.786 9.717 -2.436) 10.398 6.502 ( -0.016 0.604 0.928) 1.107 6.597 ( 2.302 -10.249 -0.385) 10.511 6.921 ( 4.047 -0.739 9.446) 10.303 7.633 ( 4.684 -4.079 -4.290) 7.549 7.785 ( -3.683 2.012 -4.339) 6.037 8.358 ( -2.434 -2.329 -7.357) 8.091 8.895 ( 5.618 -2.259 4.602) 7.605 9.269 ( -7.230 -5.534 -4.853) 10.318 9.415 ( 4.870 -8.325 -3.769) 10.355 9.926 ( 7.666 -0.261 7.706) 10.873 10.468 ( 6.083 -1.294 7.599) 9.819 10.706 ( -12.236 8.872 6.835) 16.588 10.860 ( -2.193 8.935 -4.803) 10.379 11.230 ( 0.352 5.744 0.434) 5.771 11.451 ( -2.152 -6.005 -9.500) 11.443 11.759 ( 2.994 2.912 4.298) 5.993 12.126 ( -3.640 0.151 -0.122) 3.645 12.216 ( -2.429 1.323 -3.298) 4.304 12.560 ( 7.644 4.474 0.393) 8.866 12.960 ( -2.071 0.615 4.252) 4.769 13.281 ( -3.774 3.325 -0.524) 5.057 13.756 ( 4.472 -1.309 -2.494) 5.285 14.513 ( -4.631 4.204 8.309) 10.400 14.799 ( 1.501 1.372 0.489) 2.091 15.217 ( -1.543 0.556 -4.723) 4.999 17.146 ( -6.570 -3.606 -2.165) 7.801 ======================= Grid point 193 (111/156) ======================= q-point: ( 0.15 -0.15 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -6.430 -16.519 -0.000) 17.726 2.244 ( -12.863 -1.224 0.000) 12.921 2.751 ( -0.539 6.705 0.000) 6.727 3.276 ( 8.889 -5.249 -0.000) 10.324 3.898 ( 7.690 5.283 -0.000) 9.330 4.230 ( 3.467 -4.038 -0.000) 5.322 4.915 ( 6.241 11.911 0.000) 13.447 5.393 ( -10.940 14.756 0.000) 18.369 5.869 ( -1.659 -5.999 -0.000) 6.224 6.312 ( -1.520 -1.017 0.000) 1.829 6.526 ( -0.348 3.237 0.000) 3.256 6.793 ( -3.504 1.028 0.000) 3.652 7.101 ( -4.915 3.915 0.000) 6.284 7.557 ( -1.949 -1.411 0.000) 2.406 7.758 ( 7.879 -5.541 -0.000) 9.632 8.504 ( 10.369 -1.762 -0.000) 10.518 8.945 ( 1.779 -4.469 -0.000) 4.810 9.141 ( 2.318 -8.452 -0.000) 8.764 9.423 ( 6.421 -0.891 -0.000) 6.482 9.784 ( -12.906 10.477 0.000) 16.623 10.115 ( -4.915 -0.594 0.000) 4.950 10.694 ( -3.611 -5.128 -0.000) 6.272 10.930 ( 5.427 -9.622 -0.000) 11.047 11.013 ( -1.735 3.870 0.000) 4.241 11.258 ( -2.019 1.992 0.000) 2.837 11.774 ( 2.719 -3.693 -0.000) 4.586 11.966 ( 0.352 -1.013 -0.000) 1.073 12.266 ( 3.912 -4.449 -0.000) 5.925 12.861 ( -1.681 -2.197 -0.000) 2.767 13.230 ( -10.710 9.003 0.000) 13.992 13.481 ( 6.054 6.788 0.000) 9.096 13.927 ( 1.224 -9.334 -0.000) 9.414 14.044 ( -11.043 -5.046 0.000) 12.141 14.459 ( 1.349 -0.759 -0.000) 1.548 15.085 ( 3.164 5.718 0.000) 6.535 17.397 ( 6.046 15.455 0.000) 16.596 ======================= Grid point 196 (112/156) ======================= q-point: ( 0.15 0.45 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 11.695 -2.061 14.736) 18.926 1.903 ( 3.172 -14.239 15.927) 21.598 2.820 ( -0.397 -1.769 5.835) 6.110 3.208 ( 2.143 -3.887 -4.724) 6.482 3.528 ( 1.960 -12.955 -6.781) 14.753 4.160 ( -2.328 4.516 -1.812) 5.395 4.905 ( -7.847 2.780 -4.470) 9.449 5.440 ( 7.293 -5.473 -1.365) 9.220 5.765 ( -1.306 -2.495 4.110) 4.982 6.183 ( 8.159 -4.531 -0.545) 9.349 6.247 ( 3.681 -8.837 1.433) 9.680 6.591 ( -0.741 -0.806 3.475) 3.644 6.676 ( -3.891 2.560 5.480) 7.191 7.659 ( 2.952 0.937 -8.454) 9.004 7.886 ( -1.761 0.780 -1.571) 2.486 8.636 ( -0.381 4.851 -8.473) 9.771 8.843 ( -1.743 0.212 -3.294) 3.733 9.182 ( -3.108 -7.091 -4.392) 8.901 9.549 ( 0.356 1.340 -3.237) 3.521 9.704 ( 2.756 2.921 -4.797) 6.256 10.207 ( 4.203 -6.582 2.780) 8.289 10.813 ( -1.376 3.483 2.371) 4.433 11.148 ( 0.409 5.651 2.862) 6.347 11.295 ( -1.428 0.554 0.649) 1.664 11.543 ( -2.795 1.502 -3.457) 4.692 11.739 ( -4.145 9.369 7.843) 12.902 12.009 ( -1.733 1.788 4.749) 5.362 12.389 ( 3.607 -1.861 -1.609) 4.367 12.614 ( 6.474 2.645 -1.934) 7.256 13.013 ( -10.294 6.322 7.588) 14.266 13.397 ( -8.000 5.710 7.364) 12.281 13.764 ( 2.666 1.609 1.165) 3.324 14.425 ( -3.338 -3.321 5.457) 7.208 14.644 ( 6.358 0.648 3.300) 7.193 15.460 ( -0.853 4.377 -9.391) 10.396 17.143 ( 1.300 -11.663 -7.108) 13.720 ======================= Grid point 197 (113/156) ======================= q-point: ( 0.15 0.65 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -2.936 -14.106 0.024) 14.408 2.372 ( 6.197 0.593 11.491) 13.069 2.949 ( -4.715 3.379 -2.861) 6.467 3.103 ( -2.790 -6.448 -5.536) 8.945 3.404 ( 12.739 2.672 -5.193) 14.014 4.147 ( 2.104 -6.832 -3.101) 7.792 4.807 ( 1.986 10.838 2.678) 11.339 5.604 ( -0.172 2.210 6.747) 7.102 5.888 ( 0.610 4.196 -3.603) 5.564 6.247 ( -1.154 0.292 4.796) 4.941 6.459 ( 1.426 1.201 -3.390) 3.869 6.674 ( 10.061 -0.056 2.248) 10.309 6.971 ( 5.114 -3.501 10.176) 11.914 7.546 ( -0.098 -7.253 -7.925) 10.744 7.787 ( -0.979 2.075 -3.452) 4.145 8.321 ( 0.078 2.139 -6.480) 6.824 8.909 ( -2.712 0.471 2.566) 3.763 9.156 ( 6.216 -4.158 -5.765) 9.443 9.301 ( -1.284 -7.483 -2.102) 7.878 9.987 ( 1.498 -1.668 2.555) 3.400 10.485 ( 3.722 -6.808 7.811) 11.010 10.597 ( -14.370 8.252 5.074) 17.330 10.940 ( -0.545 -1.889 -4.631) 5.031 11.147 ( -7.070 -1.235 -1.788) 7.396 11.399 ( -2.115 3.999 -0.338) 4.536 11.793 ( -0.756 -0.758 1.730) 2.035 12.066 ( -4.329 2.781 -3.215) 6.067 12.179 ( -1.602 -2.828 0.029) 3.250 12.785 ( 3.353 5.637 -0.411) 6.572 13.065 ( 9.616 -2.346 0.166) 9.900 13.382 ( 0.762 11.928 5.394) 13.113 13.856 ( 0.838 3.284 -0.924) 3.513 14.384 ( -5.677 -4.364 8.086) 10.801 14.621 ( -7.101 -10.025 -1.828) 12.420 15.222 ( -4.568 4.374 -5.160) 8.162 17.174 ( 4.863 7.218 -1.939) 8.917 ======================= Grid point 198 (114/156) ======================= q-point: ( 0.15 -0.15 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -10.434 -10.990 -0.000) 15.155 1.953 ( -16.383 -0.850 0.000) 16.405 2.769 ( -8.461 2.828 0.000) 8.921 3.407 ( 9.976 -0.287 -0.000) 9.980 4.081 ( 5.233 2.472 -0.000) 5.787 4.247 ( 0.593 -0.276 -0.000) 0.654 5.253 ( -3.319 7.784 0.000) 8.462 5.425 ( -4.625 7.152 0.000) 8.517 5.709 ( -0.993 -3.569 -0.000) 3.704 6.123 ( -1.774 -10.712 -0.000) 10.858 6.424 ( -7.624 -0.609 0.000) 7.648 6.682 ( -5.501 -3.312 0.000) 6.421 7.153 ( -6.794 6.167 0.000) 9.176 7.480 ( -1.910 -1.916 -0.000) 2.705 7.751 ( 3.354 -4.526 -0.000) 5.634 8.737 ( 3.175 2.210 -0.000) 3.868 8.838 ( 8.206 -1.935 -0.000) 8.432 9.210 ( 7.050 -2.207 -0.000) 7.388 9.573 ( 9.119 1.158 -0.000) 9.193 9.883 ( -2.633 13.539 0.000) 13.793 10.040 ( -2.345 3.525 0.000) 4.234 10.599 ( 2.505 -4.059 -0.000) 4.770 10.854 ( 6.475 -7.541 -0.000) 9.939 11.082 ( -2.059 5.405 0.000) 5.784 11.185 ( -4.912 -2.267 0.000) 5.410 11.660 ( -2.449 -7.325 -0.000) 7.723 12.013 ( 5.778 -0.011 -0.000) 5.778 12.295 ( 2.071 -0.233 -0.000) 2.084 12.791 ( -1.037 -0.593 0.000) 1.194 13.040 ( -14.250 -1.623 0.000) 14.342 13.389 ( -10.317 -3.444 0.000) 10.877 13.805 ( -0.049 -4.416 -0.000) 4.416 14.062 ( 4.240 4.618 0.000) 6.269 14.436 ( 1.224 -3.059 -0.000) 3.295 15.342 ( 9.049 6.281 -0.000) 11.015 17.752 ( 4.261 9.039 0.000) 9.993 ======================= Grid point 201 (115/156) ======================= q-point: ( 0.15 0.45 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 2.497 -12.148 12.634) 17.704 1.896 ( 13.235 -2.461 15.800) 20.757 2.878 ( 4.739 0.275 9.260) 10.406 3.204 ( 3.387 -2.217 -9.535) 10.359 3.420 ( 6.195 -1.251 -4.313) 7.652 4.155 ( -3.741 1.631 -4.642) 6.181 4.988 ( 1.062 11.158 -3.101) 11.629 5.361 ( 1.548 -10.091 2.393) 10.485 5.850 ( 6.441 2.904 4.286) 8.264 6.097 ( 4.896 -9.137 -2.360) 10.631 6.303 ( 9.384 -5.310 4.770) 11.791 6.628 ( -0.966 1.500 3.361) 3.805 6.683 ( 1.655 3.239 3.875) 5.315 7.640 ( -2.084 -3.125 -9.721) 10.422 7.885 ( -1.424 2.061 -2.496) 3.536 8.635 ( -5.566 2.455 -6.124) 8.632 8.896 ( 2.697 -1.741 0.588) 3.263 9.079 ( 1.485 4.553 -8.942) 10.144 9.465 ( -5.369 -1.481 -8.111) 9.839 9.899 ( 4.859 1.671 -3.641) 6.297 10.116 ( 4.568 -7.502 4.126) 9.704 10.819 ( -4.798 1.909 2.914) 5.929 11.087 ( -5.583 -0.984 -0.818) 5.728 11.348 ( -0.266 0.505 2.459) 2.524 11.406 ( -9.932 3.901 1.467) 10.771 11.813 ( -3.952 5.247 5.370) 8.485 12.021 ( -2.078 1.051 5.939) 6.379 12.345 ( -3.732 -2.424 -5.170) 6.822 12.697 ( 8.935 -8.627 1.591) 12.522 13.054 ( -5.479 10.317 1.227) 11.746 13.508 ( -2.004 11.015 10.477) 15.334 13.777 ( -0.584 -4.463 8.038) 9.213 14.307 ( -1.892 2.439 2.773) 4.149 14.578 ( -4.729 -6.222 0.074) 7.815 15.486 ( -3.208 1.084 -8.514) 9.163 17.154 ( 12.319 -1.363 -7.146) 14.307 ======================= Grid point 202 (116/156) ======================= q-point: ( 0.15 0.65 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -5.084 -9.408 -1.517) 10.801 2.387 ( -5.586 0.337 9.379) 10.921 2.876 ( 1.298 0.912 -6.445) 6.637 3.129 ( 3.064 0.853 -2.811) 4.245 3.804 ( 14.316 5.899 -4.470) 16.116 4.090 ( 5.383 -5.156 -6.725) 10.039 5.079 ( 0.707 14.038 2.846) 14.341 5.560 ( -0.772 -7.281 11.313) 13.476 5.883 ( -6.117 1.463 -2.538) 6.782 6.231 ( 1.870 -4.102 0.086) 4.509 6.563 ( 1.296 2.009 2.265) 3.293 6.791 ( 2.472 -1.809 3.046) 4.320 7.020 ( 5.492 0.069 7.965) 9.675 7.463 ( 2.085 -3.108 -1.027) 3.881 7.815 ( 0.672 1.590 -9.545) 9.700 8.436 ( 3.305 4.249 -5.185) 7.474 8.844 ( -1.642 -4.025 0.650) 4.395 9.094 ( -1.447 -1.508 -7.196) 7.493 9.319 ( 6.860 3.085 -1.437) 7.658 9.950 ( -0.944 -2.709 2.878) 4.064 10.389 ( -10.248 5.081 3.470) 11.953 10.497 ( -0.058 -4.122 5.853) 7.159 10.761 ( -5.311 -2.604 -2.333) 6.359 11.103 ( -1.620 0.386 -0.270) 1.687 11.424 ( -2.688 4.081 -0.449) 4.908 11.739 ( -1.377 -3.877 -3.717) 5.545 12.019 ( -4.436 0.684 -2.321) 5.053 12.139 ( 1.919 0.905 3.926) 4.463 12.875 ( -2.404 0.945 2.483) 3.583 13.095 ( 7.155 -10.840 0.225) 12.990 13.614 ( -1.429 6.156 4.312) 7.650 13.805 ( -3.204 -3.740 2.771) 5.650 14.229 ( -6.725 -0.063 -1.849) 6.975 14.419 ( 0.255 1.763 -0.551) 1.865 15.210 ( -1.828 2.389 -4.246) 5.203 17.484 ( 8.220 7.594 -0.028) 11.190 ======================= Grid point 203 (117/156) ======================= q-point: ( 0.20 -0.20 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -11.947 10.476 0.000) 15.890 1.969 ( -18.445 2.538 0.000) 18.619 2.782 ( -8.782 -1.386 0.000) 8.891 3.470 ( 9.726 6.833 -0.000) 11.886 4.026 ( 7.645 -6.100 -0.000) 9.780 4.276 ( -2.840 0.645 0.000) 2.913 5.257 ( -3.020 -11.214 -0.000) 11.614 5.394 ( -7.647 -5.373 0.000) 9.346 5.756 ( 4.215 6.292 0.000) 7.574 6.020 ( -1.478 1.743 0.000) 2.285 6.424 ( -8.334 1.753 0.000) 8.516 6.624 ( -6.792 -2.908 0.000) 7.389 7.170 ( -4.150 -4.574 -0.000) 6.176 7.442 ( -3.211 -1.224 0.000) 3.436 7.730 ( 3.768 2.006 -0.000) 4.269 8.687 ( 0.259 -4.865 -0.000) 4.872 8.916 ( 10.467 6.606 -0.000) 12.377 9.207 ( 1.528 1.928 0.000) 2.461 9.632 ( 8.351 4.729 -0.000) 9.597 10.024 ( 5.778 1.420 -0.000) 5.950 10.180 ( -4.427 9.138 0.000) 10.154 10.580 ( 3.042 2.258 -0.000) 3.789 10.732 ( 5.270 -5.165 -0.000) 7.379 11.060 ( -3.353 -8.725 -0.000) 9.347 11.186 ( -3.777 3.044 0.000) 4.851 11.556 ( -1.272 -2.926 -0.000) 3.191 12.039 ( 1.186 4.336 0.000) 4.495 12.366 ( 3.978 7.014 0.000) 8.064 12.769 ( -2.826 -2.528 0.000) 3.792 12.875 ( -4.042 -11.660 -0.000) 12.341 13.418 ( -11.823 3.435 0.000) 12.312 13.700 ( -0.104 -4.215 -0.000) 4.216 14.118 ( -0.948 -0.287 0.000) 0.990 14.403 ( 2.199 0.070 -0.000) 2.200 15.442 ( 8.226 3.624 -0.000) 8.988 17.846 ( 4.249 0.085 -0.000) 4.250 ======================= Grid point 205 (118/156) ======================= q-point: ( 0.20 0.20 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 0.000 0.000 24.636) 24.636 1.022 ( 0.000 0.000 24.636) 24.636 2.075 ( 0.000 0.000 49.618) 49.618 3.265 ( -0.000 -0.000 -11.479) 11.479 3.265 ( -0.000 -0.000 -11.479) 11.479 4.497 ( -0.000 -0.000 -0.618) 0.618 5.297 ( -0.000 -0.000 -6.794) 6.794 5.297 ( -0.000 -0.000 -6.794) 6.794 5.446 ( 0.000 0.000 14.394) 14.394 5.963 ( -0.000 -0.000 -7.013) 7.013 5.963 ( -0.000 -0.000 -7.013) 7.013 6.443 ( 0.000 0.000 3.034) 3.034 6.722 ( 0.000 0.000 8.138) 8.138 7.783 ( -0.000 -0.000 -9.473) 9.473 8.374 ( -0.000 -0.000 -11.078) 11.078 8.712 ( 0.000 0.000 2.516) 2.516 8.712 ( 0.000 0.000 2.516) 2.516 9.561 ( 0.000 0.000 9.438) 9.438 9.748 ( -0.000 -0.000 -28.990) 28.990 9.893 ( -0.000 -0.000 -9.917) 9.917 9.893 ( -0.000 -0.000 -9.917) 9.917 10.975 ( -0.000 -0.000 -2.334) 2.334 11.069 ( 0.000 0.000 6.642) 6.642 11.069 ( 0.000 0.000 6.642) 6.642 11.784 ( 0.000 0.000 4.251) 4.251 12.010 ( 0.000 0.000 5.289) 5.289 12.183 ( 0.000 0.000 1.810) 1.810 12.183 ( 0.000 0.000 1.810) 1.810 12.526 ( 0.000 0.000 1.011) 1.011 13.290 ( 0.000 0.000 9.743) 9.743 13.456 ( 0.000 0.000 6.533) 6.533 13.456 ( 0.000 0.000 6.533) 6.533 14.617 ( 0.000 0.000 0.033) 0.033 14.617 ( 0.000 0.000 0.033) 0.033 15.711 ( -0.000 -0.000 -10.137) 10.137 16.546 ( 0.000 0.000 3.144) 3.144 ======================= Grid point 206 (119/156) ======================= q-point: ( 0.20 0.40 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 2.198 0.001 14.813) 14.975 1.874 ( 13.675 0.045 17.620) 22.305 2.852 ( 2.826 -2.220 6.172) 7.142 3.188 ( 3.996 0.127 -5.399) 6.719 3.454 ( 13.570 4.085 -3.979) 14.720 4.181 ( -6.654 0.492 -4.825) 8.234 5.120 ( 1.136 -12.565 -2.786) 12.920 5.233 ( 3.406 12.129 -0.931) 12.632 5.845 ( 5.419 -4.936 3.552) 8.146 6.037 ( 6.135 4.845 -1.830) 8.029 6.228 ( 10.087 -1.650 4.780) 11.283 6.610 ( 2.115 -1.561 4.478) 5.192 6.732 ( -2.549 -0.213 4.002) 4.749 7.617 ( -1.893 0.791 -9.641) 9.857 7.906 ( -3.129 -0.085 -2.764) 4.175 8.641 ( -3.959 -0.832 -2.001) 4.513 8.868 ( 1.817 -0.529 -6.947) 7.200 9.197 ( 4.232 3.439 -10.460) 11.796 9.472 ( -6.302 3.400 -0.243) 7.164 9.794 ( 0.974 -8.936 -8.108) 12.105 10.114 ( 7.346 4.725 3.432) 9.384 10.826 ( -3.590 -0.410 1.382) 3.869 11.093 ( -4.453 2.301 0.059) 5.013 11.343 ( 1.511 -1.522 2.980) 3.672 11.503 ( -10.977 4.852 2.536) 12.267 11.850 ( -9.334 -3.409 4.004) 10.713 12.037 ( -2.842 0.199 4.300) 5.158 12.322 ( -0.341 1.091 0.936) 1.477 12.568 ( 3.780 -2.537 -2.559) 5.222 13.168 ( -7.325 -1.683 6.301) 9.807 13.507 ( -2.296 -4.620 7.690) 9.260 13.767 ( -1.584 -0.960 8.424) 8.626 14.445 ( 0.550 8.710 2.262) 9.016 14.487 ( -4.598 -0.795 0.660) 4.712 15.479 ( -3.435 -1.148 -9.560) 10.223 17.135 ( 16.302 -0.431 -6.675) 17.621 ======================= Grid point 207 (120/156) ======================= q-point: ( 0.20 0.60 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -3.675 4.687 1.783) 6.217 2.403 ( -5.069 1.389 9.986) 11.285 2.872 ( 4.605 -0.945 -8.016) 9.292 3.179 ( 2.029 3.669 0.863) 4.281 3.912 ( 7.407 4.381 -5.778) 10.366 4.011 ( 9.823 -2.335 -8.589) 13.256 5.253 ( -2.885 -10.426 7.544) 13.188 5.415 ( 6.251 7.725 1.649) 10.073 5.842 ( -7.327 -5.900 0.412) 9.416 6.163 ( -0.257 -3.528 0.200) 3.543 6.543 ( 1.488 -2.162 1.186) 2.880 6.767 ( 2.986 -0.147 2.731) 4.050 7.000 ( 6.218 -3.910 5.625) 9.252 7.463 ( 1.656 3.656 1.512) 4.289 7.836 ( -0.937 -0.085 -9.698) 9.744 8.488 ( 2.900 0.203 -2.583) 3.888 8.772 ( -0.365 -0.773 -3.196) 3.308 9.175 ( 2.251 8.580 -6.204) 10.825 9.447 ( 2.120 8.707 1.508) 9.087 9.844 ( 3.162 -7.323 4.126) 8.981 10.371 ( 3.622 -2.339 2.868) 5.178 10.547 ( -14.772 4.941 1.465) 15.645 10.775 ( -5.187 2.229 1.831) 5.936 11.101 ( -4.150 -0.542 1.119) 4.332 11.499 ( -2.252 3.029 -0.872) 3.874 11.635 ( -1.629 -4.741 -6.929) 8.552 12.062 ( -5.138 3.695 0.049) 6.328 12.179 ( 2.092 2.686 4.360) 5.531 12.724 ( 4.584 -13.751 2.979) 14.798 13.019 ( -4.299 0.890 0.525) 4.421 13.626 ( -1.382 -8.891 -2.225) 9.269 13.681 ( 0.241 -1.970 2.234) 2.988 14.310 ( -5.800 6.749 4.213) 9.846 14.509 ( -3.393 5.577 -3.020) 7.193 15.241 ( 1.106 1.093 -3.010) 3.388 17.554 ( 9.389 -0.685 -0.081) 9.414 ======================= Grid point 225 (121/156) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 1.435 2.082 3.242) 4.111 2.397 ( -1.396 -1.616 0.107) 2.138 2.813 ( 1.854 5.393 5.696) 8.060 3.662 ( 4.825 2.843 -2.118) 5.988 3.885 ( -4.613 9.351 -2.677) 10.765 4.042 ( 3.650 -9.926 -0.282) 10.579 4.442 ( -9.182 -10.555 -3.124) 14.335 5.009 ( -2.080 -1.756 2.920) 3.992 5.969 ( 1.383 2.458 0.003) 2.820 6.189 ( -0.300 -2.661 0.203) 2.685 6.366 ( -2.573 -3.283 -0.836) 4.255 6.642 ( 1.408 0.403 2.585) 2.971 6.974 ( 4.269 3.987 0.285) 5.848 7.718 ( -0.119 1.569 2.674) 3.103 8.080 ( 2.923 2.732 -5.903) 7.131 8.589 ( -2.119 -4.319 -2.038) 5.225 9.047 ( 7.066 2.495 1.599) 7.663 9.240 ( -6.757 -0.848 -0.596) 6.836 9.457 ( -3.307 1.708 -1.475) 4.004 9.703 ( -2.032 -2.477 0.527) 3.247 10.171 ( 4.121 6.094 0.309) 7.363 10.615 ( -1.121 2.141 2.930) 3.798 10.782 ( -0.837 -7.057 -1.791) 7.329 11.131 ( 1.748 1.228 -1.982) 2.914 11.657 ( 1.812 5.760 8.494) 10.422 11.883 ( 4.714 -2.531 -5.247) 7.494 12.131 ( 5.983 2.460 4.292) 7.764 12.276 ( -6.032 -1.046 -3.792) 7.201 12.760 ( 3.112 6.091 -3.029) 7.480 12.994 ( 4.782 3.136 0.304) 5.726 13.463 ( -6.949 -3.689 3.011) 8.424 13.632 ( -5.648 -9.908 -1.472) 11.499 14.263 ( 9.793 11.115 0.304) 14.817 14.724 ( 3.784 -1.679 4.931) 6.438 15.026 ( -7.617 -2.759 -1.388) 8.219 16.838 ( -9.907 -9.913 -3.044) 14.341 ======================= Grid point 228 (122/156) ======================= q-point: ( 0.20 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 16.281 6.112 -0.000) 17.390 2.359 ( 4.478 13.346 0.000) 14.077 2.791 ( -3.932 -1.329 0.000) 4.151 3.496 ( 10.615 -8.492 -0.000) 13.594 3.803 ( -3.761 -1.445 0.000) 4.029 4.201 ( -1.971 -9.111 -0.000) 9.322 4.975 ( -17.558 1.659 0.000) 17.636 5.433 ( -10.374 10.937 0.000) 15.074 5.751 ( 7.702 -5.650 -0.000) 9.552 6.106 ( -1.730 0.323 0.000) 1.760 6.542 ( 1.056 -0.640 -0.000) 1.235 6.742 ( -0.746 7.501 0.000) 7.538 6.982 ( -9.646 -2.820 0.000) 10.050 7.536 ( -0.696 6.391 0.000) 6.429 7.743 ( 6.478 -4.309 -0.000) 7.780 8.526 ( -3.527 -5.331 -0.000) 6.392 8.933 ( 8.584 -4.816 -0.000) 9.843 9.332 ( 7.641 0.412 -0.000) 7.652 9.639 ( 5.246 -3.038 -0.000) 6.062 9.916 ( 1.261 -4.031 -0.000) 4.223 10.431 ( -2.065 -1.706 0.000) 2.679 10.442 ( 4.137 4.088 -0.000) 5.816 10.735 ( -0.906 3.715 0.000) 3.824 10.975 ( -7.576 7.049 0.000) 10.348 11.273 ( 1.098 2.153 0.000) 2.416 11.576 ( 1.446 2.812 0.000) 3.162 12.220 ( 11.528 -0.343 -0.000) 11.533 12.373 ( 4.508 -7.245 -0.000) 8.533 12.589 ( -12.149 -4.024 0.000) 12.798 12.862 ( -0.896 8.748 0.000) 8.794 13.354 ( -8.790 -5.003 0.000) 10.114 13.847 ( 9.180 -0.395 -0.000) 9.188 14.223 ( -3.931 12.635 0.000) 13.233 14.421 ( 1.735 4.275 0.000) 4.613 15.354 ( 1.207 -5.674 -0.000) 5.801 17.628 ( -9.783 -7.608 0.000) 12.393 ======================= Grid point 230 (123/156) ======================= q-point: ( 0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -0.000 -0.000 1.229) 1.229 2.344 ( -0.000 -0.000 -1.209) 1.209 2.897 ( -0.000 -0.000 3.336) 3.336 3.786 ( -0.000 -0.000 6.324) 6.324 3.891 ( -0.000 0.000 8.999) 8.999 4.017 ( 0.000 -0.000 -7.552) 7.552 4.166 ( 0.000 -0.000 -9.840) 9.840 4.988 ( -0.000 -0.000 1.990) 1.990 6.027 ( -0.000 -0.000 0.048) 0.048 6.141 ( -0.000 -0.000 2.490) 2.490 6.282 ( 0.000 -0.000 -1.520) 1.520 6.683 ( -0.000 -0.000 -1.595) 1.595 7.058 ( -0.000 -0.000 0.207) 0.207 7.742 ( -0.000 -0.000 3.315) 3.315 8.165 ( -0.000 -0.000 -1.699) 1.699 8.477 ( -0.000 -0.000 -3.340) 3.340 9.121 ( -0.000 -0.000 5.321) 5.321 9.196 ( -0.000 -0.000 -1.717) 1.717 9.430 ( -0.000 -0.000 -3.806) 3.806 9.651 ( -0.000 -0.000 -1.308) 1.308 10.338 ( -0.000 -0.000 -2.679) 2.679 10.569 ( -0.000 -0.000 7.892) 7.892 10.702 ( -0.000 -0.000 -5.228) 5.228 11.181 ( -0.000 -0.000 -3.734) 3.734 11.735 ( -0.000 -0.000 12.605) 12.605 11.995 ( 0.000 -0.000 -12.857) 12.857 12.077 ( -0.000 -0.000 2.868) 2.868 12.286 ( -0.000 -0.000 5.732) 5.732 12.893 ( -0.000 -0.000 -3.659) 3.659 13.147 ( -0.000 -0.000 0.097) 0.097 13.212 ( -0.000 -0.000 9.557) 9.557 13.460 ( -0.000 -0.000 -9.998) 9.998 14.527 ( -0.000 0.000 2.733) 2.733 14.747 ( 0.000 -0.000 4.545) 4.545 14.907 ( -0.000 -0.000 -4.578) 4.578 16.603 ( -0.000 -0.000 -0.777) 0.777 ======================= Grid point 234 (124/156) ======================= q-point: ( 0.20 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 11.734 3.239 -0.000) 12.173 2.551 ( -3.640 -3.495 0.000) 5.046 2.716 ( 1.576 4.800 0.000) 5.052 3.390 ( 2.951 -11.175 -0.000) 11.559 3.704 ( -9.414 -10.124 -0.000) 13.825 4.125 ( 10.086 3.195 -0.000) 10.580 4.669 ( -10.520 -2.620 0.000) 10.841 5.458 ( -10.072 12.042 0.000) 15.699 5.813 ( -3.130 1.805 0.000) 3.613 6.010 ( 5.135 -4.154 -0.000) 6.605 6.503 ( -2.547 -0.110 0.000) 2.549 6.763 ( 1.977 -6.354 -0.000) 6.655 6.934 ( -0.426 8.043 0.000) 8.054 7.635 ( -1.217 5.563 0.000) 5.695 7.751 ( 5.506 -8.249 -0.000) 9.918 8.372 ( -0.650 -5.871 -0.000) 5.907 9.022 ( 7.339 -2.369 -0.000) 7.712 9.313 ( -4.337 -7.881 -0.000) 8.996 9.577 ( 3.270 -7.998 -0.000) 8.641 10.032 ( 9.589 -0.422 -0.000) 9.598 10.454 ( -7.662 12.322 0.000) 14.510 10.622 ( 2.083 6.307 0.000) 6.642 10.717 ( 0.495 -1.214 -0.000) 1.311 11.071 ( -4.049 11.443 0.000) 12.139 11.347 ( 1.917 0.894 -0.000) 2.115 11.709 ( 4.395 4.739 0.000) 6.463 12.120 ( -9.967 -6.088 0.000) 11.679 12.326 ( 2.133 -6.046 -0.000) 6.411 12.553 ( 13.202 -2.609 -0.000) 13.458 13.022 ( -2.372 5.719 0.000) 6.191 13.104 ( -5.832 0.877 0.000) 5.898 13.861 ( 5.409 -9.289 -0.000) 10.749 14.434 ( -2.707 12.357 0.000) 12.650 14.624 ( 0.448 11.604 0.000) 11.613 15.257 ( -0.917 -5.045 -0.000) 5.127 17.232 ( -13.346 -6.334 0.000) 14.773 ======================= Grid point 239 (125/156) ======================= q-point: ( 0.20 0.80 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( -4.552 -10.322 -0.000) 11.282 2.456 ( 8.363 3.424 -0.000) 9.036 2.794 ( -8.799 5.204 0.000) 10.223 3.253 ( -4.261 -12.700 -0.000) 13.396 3.363 ( 9.280 -3.182 -0.000) 9.811 4.273 ( 1.374 -6.127 -0.000) 6.279 4.637 ( 2.546 8.778 0.000) 9.140 5.511 ( -9.334 12.894 0.000) 15.918 5.774 ( 1.964 1.032 -0.000) 2.219 6.176 ( 4.259 6.717 0.000) 7.954 6.469 ( -2.041 -1.170 0.000) 2.352 6.732 ( 8.531 -4.874 -0.000) 9.825 7.092 ( 2.499 4.395 0.000) 5.056 7.623 ( 0.358 -9.117 -0.000) 9.124 7.704 ( -0.898 2.636 0.000) 2.785 8.288 ( 2.984 -4.512 -0.000) 5.409 9.011 ( -6.502 -4.654 0.000) 7.996 9.142 ( 8.699 -4.880 -0.000) 9.974 9.473 ( 1.501 -8.655 -0.000) 8.784 10.084 ( -0.529 -3.286 -0.000) 3.329 10.414 ( -16.884 10.213 0.000) 19.733 10.789 ( 5.503 -0.275 -0.000) 5.510 10.813 ( 8.237 0.287 -0.000) 8.242 11.174 ( -7.742 5.444 0.000) 9.464 11.276 ( -3.733 -1.782 0.000) 4.136 11.871 ( -0.027 -2.260 -0.000) 2.260 11.900 ( -3.457 3.444 0.000) 4.880 12.259 ( 2.505 -3.517 -0.000) 4.318 12.752 ( 9.273 -1.680 -0.000) 9.424 13.014 ( 3.937 4.320 0.000) 5.845 13.232 ( -2.010 10.251 0.000) 10.446 13.818 ( 5.297 -4.308 -0.000) 6.827 14.528 ( -5.229 5.033 0.000) 7.258 14.719 ( -5.566 -2.785 0.000) 6.224 15.116 ( -5.250 -0.725 0.000) 5.300 17.025 ( -3.315 5.386 0.000) 6.324 ======================= Grid point 244 (126/156) ======================= q-point: ( 0.20 0.60 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 12.420 0.914 6.797) 14.187 2.387 ( -0.025 -9.408 8.827) 12.901 2.815 ( 0.570 1.142 -2.754) 3.036 3.187 ( 1.684 -2.369 -2.489) 3.827 3.653 ( -2.517 -14.051 -5.487) 15.293 4.084 ( 6.239 4.527 -2.730) 8.178 4.851 ( -16.020 -5.299 -1.633) 16.952 5.546 ( 7.060 -3.160 1.513) 7.881 5.867 ( -1.947 -1.162 2.068) 3.068 6.090 ( -1.896 7.097 -1.207) 7.444 6.480 ( 0.817 -4.277 2.352) 4.949 6.644 ( -4.119 -5.084 0.270) 6.549 6.860 ( 1.177 -2.894 9.196) 9.712 7.528 ( 5.735 -2.642 -4.772) 7.914 7.835 ( -1.046 0.013 -5.261) 5.364 8.419 ( -3.431 -0.462 -6.657) 7.504 8.799 ( 2.756 0.698 0.848) 2.967 9.271 ( 8.649 -6.684 -7.016) 12.988 9.467 ( -10.180 -4.946 -0.983) 11.360 9.739 ( 9.727 0.133 6.219) 11.546 10.358 ( 4.516 -1.957 3.772) 6.202 10.800 ( -0.616 4.391 1.658) 4.734 10.970 ( -0.994 12.754 1.481) 12.879 11.213 ( -1.600 7.602 2.463) 8.149 11.501 ( -4.671 -2.011 -8.375) 9.798 11.678 ( 5.415 3.686 2.738) 7.100 12.122 ( 0.960 -2.727 4.273) 5.159 12.355 ( -7.067 7.650 -3.247) 10.909 12.418 ( 5.185 1.321 -0.627) 5.387 13.075 ( -7.413 2.686 6.319) 10.104 13.433 ( -11.695 2.751 0.176) 12.016 13.665 ( 3.648 0.322 -2.814) 4.619 14.548 ( 2.093 4.908 6.629) 8.509 14.709 ( 7.685 1.696 1.926) 8.102 15.226 ( -0.578 0.497 -6.664) 6.707 17.272 ( -5.442 -10.340 -1.948) 11.846 ======================= Grid point 245 (127/156) ======================= q-point: ( 0.20 -0.20 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( -5.859 -14.214 -0.000) 15.374 2.511 ( -12.816 -1.472 0.000) 12.900 2.724 ( 1.573 6.807 0.000) 6.987 3.123 ( 6.389 -5.199 -0.000) 8.237 3.660 ( 15.348 4.662 -0.000) 16.041 4.161 ( 3.264 -7.282 -0.000) 7.980 4.863 ( 0.215 11.285 0.000) 11.287 5.596 ( -8.898 13.492 0.000) 16.162 5.863 ( 2.197 -2.719 -0.000) 3.496 6.319 ( 0.655 -1.421 -0.000) 1.564 6.473 ( 3.768 6.086 0.000) 7.158 6.835 ( 1.886 0.692 -0.000) 2.009 7.152 ( 0.259 -1.478 -0.000) 1.501 7.513 ( 5.551 -4.567 -0.000) 7.188 7.696 ( -2.113 -0.388 0.000) 2.148 8.329 ( 6.720 -0.753 -0.000) 6.763 8.891 ( 0.681 -1.045 -0.000) 1.247 9.163 ( -0.011 -8.912 -0.000) 8.912 9.314 ( 3.521 -4.829 -0.000) 5.976 9.991 ( -5.309 1.722 0.000) 5.581 10.272 ( -13.174 6.236 0.000) 14.575 10.782 ( 2.689 -11.145 -0.000) 11.465 10.827 ( -1.723 -6.452 -0.000) 6.678 11.038 ( -1.304 3.556 0.000) 3.787 11.313 ( -4.099 6.334 0.000) 7.545 11.758 ( -1.435 -2.442 -0.000) 2.833 11.965 ( -0.312 2.127 0.000) 2.150 12.212 ( 1.572 -4.579 -0.000) 4.841 12.854 ( 2.471 0.128 -0.000) 2.474 13.253 ( 8.370 -1.096 -0.000) 8.441 13.434 ( -1.882 16.005 0.000) 16.115 13.867 ( 2.500 -1.703 -0.000) 3.025 14.310 ( -13.490 -11.490 0.000) 17.720 14.464 ( -1.914 -2.196 -0.000) 2.913 15.086 ( -2.927 4.766 0.000) 5.593 17.275 ( 6.243 13.097 0.000) 14.509 ======================= Grid point 249 (128/156) ======================= q-point: ( 0.20 0.60 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 1.110 -9.689 6.172) 11.541 2.186 ( 10.033 -4.354 6.981) 12.975 2.914 ( 4.238 2.917 2.011) 5.524 3.180 ( 3.440 -5.196 -3.106) 6.963 3.340 ( -8.858 -2.430 -6.581) 11.300 4.136 ( -1.474 -4.836 -0.159) 5.058 4.741 ( 3.557 7.711 -2.968) 8.995 5.572 ( 3.200 -2.930 4.430) 6.201 5.837 ( 3.585 0.528 -1.385) 3.879 6.290 ( -1.018 -2.212 2.626) 3.581 6.384 ( 8.635 -1.504 -0.953) 8.817 6.552 ( -2.573 3.773 1.222) 4.727 6.870 ( 4.632 -3.317 10.270) 11.744 7.526 ( 2.466 -6.435 -10.310) 12.401 7.813 ( -1.463 0.666 -2.121) 2.661 8.365 ( -3.839 3.214 -8.059) 9.488 8.908 ( 3.832 3.039 2.504) 5.494 9.122 ( -2.754 -9.467 0.425) 9.869 9.307 ( -0.504 -2.143 -8.753) 9.025 9.908 ( 6.377 -1.437 3.508) 7.419 10.373 ( 5.623 -7.324 5.678) 10.840 10.828 ( -3.604 2.783 3.179) 5.553 11.031 ( -11.784 6.924 -1.481) 13.748 11.296 ( -7.055 0.097 -2.560) 7.506 11.369 ( 4.381 0.715 -2.045) 4.888 11.829 ( -2.232 4.108 4.869) 6.750 12.099 ( 0.757 -0.522 2.895) 3.038 12.262 ( -5.179 0.733 -5.310) 7.454 12.759 ( 2.594 12.841 0.345) 13.105 12.926 ( -0.570 -4.415 0.772) 4.518 13.398 ( -3.425 11.212 5.810) 13.084 13.820 ( 3.178 5.917 -1.204) 6.823 14.493 ( -4.835 -6.058 8.582) 11.564 14.720 ( -2.655 -7.129 -0.608) 7.631 15.283 ( -1.033 4.252 -6.388) 7.743 17.093 ( 3.044 -1.843 -2.632) 4.426 ======================= Grid point 250 (129/156) ======================= q-point: ( 0.20 -0.20 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -9.115 -8.335 0.000) 12.352 2.244 ( -13.596 1.094 0.000) 13.639 2.849 ( -0.326 2.774 0.000) 2.793 3.220 ( 8.380 0.249 -0.000) 8.384 3.960 ( 7.271 -0.502 -0.000) 7.288 4.179 ( 7.112 0.174 -0.000) 7.114 5.150 ( 5.270 11.447 0.000) 12.602 5.641 ( -11.312 6.358 0.000) 12.977 5.727 ( -0.153 -5.802 -0.000) 5.804 6.187 ( -3.485 -9.465 -0.000) 10.086 6.574 ( -4.836 0.522 0.000) 4.864 6.777 ( -4.712 -1.409 0.000) 4.919 7.200 ( 1.844 3.343 0.000) 3.818 7.535 ( -2.525 -0.657 0.000) 2.609 7.671 ( 4.118 -2.894 -0.000) 5.033 8.536 ( 11.101 5.047 -0.000) 12.194 8.821 ( -1.876 -7.758 -0.000) 7.982 9.069 ( 6.178 1.602 -0.000) 6.383 9.424 ( 6.357 1.970 -0.000) 6.655 9.958 ( -3.412 4.229 0.000) 5.434 10.161 ( -10.327 6.553 0.000) 12.231 10.589 ( -1.125 -4.618 -0.000) 4.753 10.730 ( 5.491 -7.768 -0.000) 9.513 11.106 ( -0.600 3.398 0.000) 3.450 11.294 ( -5.768 1.095 0.000) 5.871 11.678 ( -0.077 -6.146 -0.000) 6.146 11.962 ( -0.242 1.005 0.000) 1.034 12.233 ( 3.446 1.028 -0.000) 3.597 12.842 ( -3.740 0.433 0.000) 3.765 13.200 ( -0.083 -12.585 -0.000) 12.586 13.572 ( -8.105 5.014 0.000) 9.530 13.780 ( 0.713 -7.689 -0.000) 7.722 14.067 ( -4.680 7.044 0.000) 8.457 14.421 ( 0.559 -2.335 -0.000) 2.401 15.202 ( 4.666 5.714 0.000) 7.377 17.645 ( 6.758 9.020 0.000) 11.271 ======================= Grid point 253 (130/156) ======================= q-point: ( 0.20 0.40 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 5.732 -6.660 17.358) 19.455 1.634 ( 8.819 -7.847 16.769) 20.508 2.831 ( -0.123 2.231 15.443) 15.604 3.120 ( 3.272 -3.844 -8.897) 10.229 3.305 ( 6.496 -9.164 0.812) 11.263 4.284 ( -7.504 6.718 -3.641) 10.709 4.989 ( -2.115 6.034 -8.638) 10.747 5.295 ( 5.649 -9.160 -4.525) 11.674 5.745 ( 2.855 0.634 5.458) 6.192 6.015 ( 2.832 -9.178 1.675) 9.750 6.098 ( 10.291 -6.363 0.503) 12.110 6.572 ( 2.586 -1.302 4.739) 5.553 6.777 ( -5.608 5.468 7.060) 10.544 7.623 ( 2.287 -2.721 -11.992) 12.508 7.975 ( -5.830 6.016 -4.443) 9.483 8.717 ( -1.423 2.221 -6.955) 7.438 8.816 ( 3.205 -2.814 1.382) 4.484 9.124 ( -4.382 1.827 -14.778) 15.522 9.566 ( -4.998 0.654 -4.068) 6.477 9.776 ( 6.427 3.878 -4.616) 8.812 10.031 ( 4.472 -10.071 2.435) 11.285 10.871 ( -1.428 2.277 -0.192) 2.695 11.182 ( -3.192 -2.383 3.200) 5.110 11.248 ( 5.260 -1.081 2.026) 5.739 11.626 ( -6.874 4.662 -4.694) 9.541 11.929 ( -7.032 8.133 9.145) 14.115 12.100 ( -6.178 5.542 4.192) 9.298 12.384 ( 2.018 1.907 -1.053) 2.970 12.525 ( 5.785 -8.729 1.549) 10.586 13.190 ( -8.144 10.547 6.192) 14.694 13.583 ( -3.770 8.009 10.411) 13.666 13.742 ( 3.336 -3.503 7.048) 8.548 14.389 ( -6.275 2.608 1.967) 7.075 14.636 ( -0.316 -2.182 1.050) 2.442 15.516 ( -0.031 1.094 -10.516) 10.573 16.912 ( 10.893 -10.550 -4.837) 15.917 ======================= Grid point 254 (131/156) ======================= q-point: ( 0.20 0.60 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -3.276 -9.804 2.152) 10.558 2.381 ( 6.737 0.348 13.202) 14.826 2.898 ( -2.924 -4.927 -4.970) 7.584 3.112 ( -1.557 3.339 -3.407) 5.018 3.496 ( 14.521 6.412 -5.219) 16.710 4.028 ( 1.033 -4.599 -6.654) 8.154 5.047 ( 3.565 13.298 2.592) 14.010 5.536 ( 2.891 -9.738 8.545) 13.274 5.949 ( 0.885 0.965 -3.404) 3.647 6.160 ( 3.996 -3.975 0.894) 5.707 6.548 ( 0.160 1.879 5.216) 5.547 6.668 ( 8.123 0.075 1.366) 8.237 6.909 ( 5.438 -1.828 8.328) 10.113 7.433 ( 0.770 -3.379 -7.517) 8.277 7.806 ( 0.085 0.629 -5.474) 5.511 8.415 ( -1.018 5.805 -7.364) 9.432 8.892 ( -2.874 -4.087 2.179) 5.450 9.090 ( 4.748 -2.372 -6.828) 8.648 9.250 ( -2.109 4.987 -1.343) 5.578 9.929 ( 2.734 -5.166 -0.061) 5.845 10.345 ( 5.949 -5.658 6.284) 10.339 10.733 ( -12.915 4.676 3.767) 14.243 10.886 ( -7.096 -1.375 -3.615) 8.081 11.173 ( -6.463 2.848 -0.173) 7.065 11.465 ( -0.369 2.971 1.155) 3.209 11.783 ( -4.013 -1.656 0.250) 4.348 12.103 ( -0.768 0.799 2.437) 2.677 12.151 ( -5.589 1.242 -2.140) 6.112 12.832 ( 5.253 -7.799 -0.890) 9.445 13.013 ( 0.951 5.139 0.909) 5.304 13.635 ( -1.044 7.611 5.036) 9.185 13.874 ( -3.412 -1.552 5.841) 6.940 14.323 ( -2.518 -0.734 0.723) 2.720 14.460 ( -4.613 -3.124 -1.151) 5.689 15.274 ( -3.854 0.681 -5.385) 6.657 17.296 ( 10.774 4.569 -1.819) 11.844 ======================= Grid point 255 (132/156) ======================= q-point: ( 0.25 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -8.608 8.814 0.000) 12.320 2.284 ( -13.900 2.968 0.000) 14.213 2.853 ( 0.938 -1.983 -0.000) 2.194 3.302 ( 6.970 7.819 0.000) 10.475 3.894 ( 5.285 -4.824 -0.000) 7.156 4.210 ( 9.799 1.271 -0.000) 9.881 5.266 ( -1.647 -5.979 -0.000) 6.202 5.555 ( -0.047 -1.616 -0.000) 1.617 5.690 ( -3.776 -5.504 -0.000) 6.675 6.103 ( -4.992 1.533 0.000) 5.223 6.545 ( -2.810 -2.128 0.000) 3.525 6.757 ( -5.890 -0.742 0.000) 5.936 7.163 ( 3.938 -6.895 -0.000) 7.941 7.544 ( -6.375 0.805 0.000) 6.426 7.654 ( 4.262 1.574 -0.000) 4.543 8.610 ( 8.412 -2.824 -0.000) 8.873 8.756 ( 3.127 6.198 0.000) 6.942 9.169 ( 2.934 7.711 0.000) 8.250 9.509 ( 3.861 6.340 0.000) 7.424 9.954 ( 2.203 -2.836 -0.000) 3.591 10.317 ( -9.571 7.294 0.000) 12.033 10.497 ( 5.261 -4.310 -0.000) 6.801 10.696 ( -1.930 3.181 0.000) 3.720 11.114 ( -2.391 -3.598 -0.000) 4.320 11.284 ( -5.979 -1.889 0.000) 6.270 11.577 ( -0.932 -2.473 -0.000) 2.643 12.028 ( -0.253 6.486 0.000) 6.491 12.285 ( 3.882 3.721 -0.000) 5.377 12.862 ( -6.951 0.889 0.000) 7.007 12.891 ( 3.414 -16.536 -0.000) 16.884 13.556 ( -2.402 -10.425 -0.000) 10.699 13.704 ( -1.136 4.916 0.000) 5.046 14.218 ( -8.070 5.579 0.000) 9.811 14.390 ( -1.200 -0.242 0.000) 1.224 15.300 ( 6.063 4.080 -0.000) 7.308 17.732 ( 7.367 -0.422 -0.000) 7.379 ======================= Grid point 258 (133/156) ======================= q-point: ( 0.25 0.35 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 1.811 0.131 18.284) 18.373 1.596 ( 12.878 -0.156 18.379) 22.443 2.855 ( -3.310 -0.850 18.449) 18.763 3.089 ( 4.596 0.360 -9.370) 10.443 3.210 ( 11.481 0.791 2.954) 11.881 4.366 ( -10.518 0.341 -3.156) 10.986 5.094 ( 1.125 -6.310 -11.685) 13.328 5.151 ( 5.004 6.101 -6.680) 10.338 5.748 ( 3.293 -1.673 8.120) 8.921 5.932 ( 3.774 3.062 -0.476) 4.883 6.016 ( 10.247 -1.673 1.926) 10.560 6.551 ( 2.560 -0.352 5.177) 5.786 6.837 ( -5.429 0.039 8.086) 9.740 7.595 ( 2.303 0.112 -12.488) 12.699 8.045 ( -8.472 -0.068 -7.220) 11.132 8.708 ( -2.516 -0.454 -0.979) 2.738 8.799 ( 4.914 0.203 -2.812) 5.666 9.175 ( -1.844 0.659 -20.333) 20.427 9.596 ( -6.668 2.460 0.530) 7.127 9.766 ( 1.850 -5.890 -7.390) 9.629 9.941 ( 9.769 3.334 3.213) 10.811 10.891 ( -2.932 -0.372 -1.087) 3.149 11.152 ( -2.065 1.404 2.887) 3.817 11.243 ( 5.851 -0.863 3.399) 6.822 11.680 ( -5.708 0.470 -4.574) 7.330 12.027 ( -6.724 -0.795 6.184) 9.170 12.176 ( -7.053 3.052 3.859) 8.600 12.330 ( 0.788 -5.150 3.934) 6.528 12.477 ( 0.768 2.729 -0.945) 2.989 13.335 ( -9.559 -1.343 8.473) 12.845 13.562 ( -2.196 -0.231 6.563) 6.925 13.739 ( 5.837 -0.477 10.700) 12.198 14.498 ( -7.388 0.474 1.108) 7.486 14.580 ( -3.683 1.474 0.364) 3.984 15.515 ( 0.007 -0.410 -11.103) 11.111 16.793 ( 16.639 -0.106 -2.376) 16.808 ======================= Grid point 259 (134/156) ======================= q-point: ( 0.25 0.55 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -2.181 2.731 4.994) 6.095 2.386 ( 7.602 0.132 12.562) 14.684 2.828 ( -0.866 -2.031 -4.582) 5.086 3.160 ( 0.239 1.557 -2.815) 3.225 3.623 ( 15.386 5.076 -4.862) 16.915 3.992 ( -3.058 1.645 -7.321) 8.103 5.211 ( 7.845 -15.487 2.871) 17.597 5.339 ( 1.477 9.649 3.254) 10.289 5.920 ( 0.020 -2.911 -1.232) 3.161 6.130 ( 3.268 -1.048 0.921) 3.553 6.502 ( 4.144 -3.196 5.114) 7.317 6.681 ( 2.338 0.041 2.068) 3.122 6.883 ( 5.413 -1.916 7.387) 9.356 7.432 ( 1.398 3.121 -6.046) 6.946 7.827 ( 1.053 1.307 -5.735) 5.976 8.473 ( -1.089 -0.839 -6.723) 6.862 8.804 ( -2.093 -3.051 0.491) 3.732 9.114 ( 4.442 5.617 -9.431) 11.842 9.438 ( -1.391 11.194 3.655) 11.858 9.766 ( 4.219 -10.217 0.214) 11.056 10.301 ( 4.084 0.952 3.394) 5.395 10.787 ( -6.706 1.669 2.463) 7.337 10.911 ( -9.202 3.322 -2.066) 9.999 11.228 ( -8.831 1.718 1.853) 9.185 11.539 ( -0.232 4.442 3.421) 5.611 11.680 ( -5.756 -7.898 -4.697) 10.843 12.114 ( 0.899 0.223 3.157) 3.290 12.242 ( -7.721 7.485 0.122) 10.754 12.597 ( 5.644 -12.903 -1.425) 14.155 13.135 ( -5.796 3.014 3.807) 7.561 13.603 ( 1.078 -4.868 2.991) 5.814 13.760 ( -6.923 -11.947 1.105) 13.852 14.412 ( -4.019 10.019 2.795) 11.151 14.541 ( 0.175 7.903 0.960) 7.963 15.256 ( -2.213 -1.935 -6.035) 6.713 17.336 ( 12.732 -0.692 -1.768) 12.873 ======================= Grid point 285 (135/156) ======================= q-point: ( 0.25 -0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 14.538 2.989 -0.000) 14.842 2.573 ( 1.700 6.041 0.000) 6.276 2.713 ( -2.127 -3.451 -0.000) 4.054 3.316 ( 5.157 -9.356 -0.000) 10.683 3.825 ( -2.473 -1.240 0.000) 2.767 3.973 ( 4.728 -8.215 -0.000) 9.478 4.964 ( -19.212 -3.733 0.000) 19.572 5.579 ( 1.023 1.085 0.000) 1.491 5.779 ( 2.462 9.793 0.000) 10.098 6.061 ( -8.286 -3.975 0.000) 9.190 6.520 ( 0.326 -1.080 -0.000) 1.128 6.780 ( -1.982 -4.377 -0.000) 4.805 6.965 ( -3.885 1.529 0.000) 4.175 7.618 ( 6.009 -7.215 -0.000) 9.389 7.682 ( -1.356 6.472 0.000) 6.612 8.418 ( -3.303 -5.018 -0.000) 6.008 8.842 ( 8.900 -3.687 -0.000) 9.634 9.288 ( 8.017 -4.181 -0.000) 9.042 9.585 ( -1.921 -3.915 -0.000) 4.360 9.842 ( 6.357 -3.273 -0.000) 7.150 10.418 ( 3.940 0.330 -0.000) 3.954 10.605 ( 1.014 11.185 0.000) 11.231 10.837 ( -2.752 6.368 0.000) 6.937 11.140 ( -4.669 9.298 0.000) 10.404 11.311 ( -0.270 1.309 0.000) 1.337 11.643 ( 3.349 3.820 0.000) 5.080 12.188 ( 6.030 -1.329 -0.000) 6.175 12.283 ( 2.762 -1.794 -0.000) 3.293 12.473 ( -9.620 -6.645 0.000) 11.692 13.057 ( -0.778 9.359 0.000) 9.392 13.301 ( -13.834 0.771 0.000) 13.855 13.750 ( 5.049 -7.206 -0.000) 8.799 14.476 ( -0.884 11.417 0.000) 11.451 14.560 ( 6.480 8.768 0.000) 10.902 15.244 ( 1.598 -5.546 -0.000) 5.771 17.458 ( -8.854 -9.592 -0.000) 13.054 ======================= Grid point 290 (136/156) ======================= q-point: (-0.75 -0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 12.820 1.851 -0.000) 12.953 2.381 ( -3.486 -11.242 -0.000) 11.771 2.851 ( 1.172 6.983 0.000) 7.081 3.212 ( 4.456 -6.470 -0.000) 7.856 3.459 ( -11.194 -12.747 -0.000) 16.964 4.212 ( 5.570 1.733 -0.000) 5.833 4.610 ( -2.882 -0.504 0.000) 2.925 5.616 ( -1.289 3.634 0.000) 3.856 5.825 ( -5.286 -1.768 0.000) 5.574 6.086 ( 3.926 12.706 0.000) 13.299 6.511 ( -1.598 0.825 0.000) 1.798 6.592 ( 3.093 -10.561 -0.000) 11.004 7.031 ( 3.566 1.261 -0.000) 3.783 7.571 ( 4.587 -9.128 -0.000) 10.216 7.745 ( -2.501 4.339 0.000) 5.008 8.285 ( -2.213 -2.580 -0.000) 3.399 8.957 ( 9.113 -2.839 -0.000) 9.545 9.188 ( -10.085 -4.494 0.000) 11.041 9.395 ( 5.519 -9.964 -0.000) 11.390 10.002 ( 7.790 -2.469 -0.000) 8.172 10.567 ( 10.642 -3.859 -0.000) 11.320 10.763 ( -9.343 10.258 0.000) 13.875 10.814 ( -9.874 8.989 0.000) 13.353 11.258 ( -0.469 7.056 0.000) 7.071 11.319 ( -0.482 -3.944 -0.000) 3.973 11.808 ( 3.780 4.392 0.000) 5.795 12.083 ( -11.610 2.523 0.000) 11.881 12.216 ( 2.418 -3.710 -0.000) 4.429 12.565 ( 8.571 4.796 -0.000) 9.822 13.005 ( -3.812 -2.012 0.000) 4.310 13.275 ( -3.608 9.330 0.000) 10.003 13.729 ( 4.605 -2.266 -0.000) 5.133 14.617 ( -3.596 5.556 0.000) 6.619 14.781 ( -0.505 1.744 0.000) 1.815 15.169 ( 0.173 -1.764 -0.000) 1.772 17.128 ( -6.601 -4.120 0.000) 7.781 ======================= Grid point 296 (137/156) ======================= q-point: ( 0.25 0.75 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -5.081 -13.345 -0.000) 14.280 2.512 ( 9.763 1.788 -0.000) 9.926 2.904 ( -14.699 4.540 0.000) 15.384 3.040 ( 0.436 -7.416 -0.000) 7.429 3.355 ( 14.209 2.118 -0.000) 14.366 4.111 ( 1.441 -9.081 -0.000) 9.195 4.840 ( 3.497 11.395 0.000) 11.919 5.689 ( 0.600 4.279 0.000) 4.320 5.827 ( 0.288 3.976 0.000) 3.987 6.314 ( -0.877 -4.279 -0.000) 4.368 6.413 ( 2.057 6.998 0.000) 7.294 6.698 ( 10.393 0.444 -0.000) 10.403 7.095 ( 4.589 -3.245 -0.000) 5.620 7.444 ( 1.972 -8.103 -0.000) 8.339 7.750 ( -2.542 0.703 0.000) 2.637 8.256 ( 0.769 1.650 0.000) 1.820 8.950 ( -6.334 -0.754 0.000) 6.379 9.075 ( 6.892 -1.989 -0.000) 7.174 9.290 ( 1.415 -9.392 -0.000) 9.497 10.013 ( 1.656 -3.603 -0.000) 3.965 10.559 ( -5.031 -1.775 0.000) 5.335 10.679 ( -5.441 1.166 0.000) 5.565 10.877 ( 0.173 -0.797 -0.000) 0.815 11.125 ( -7.227 -0.870 0.000) 7.279 11.389 ( -1.811 5.650 0.000) 5.933 11.818 ( -3.947 -1.714 0.000) 4.303 12.009 ( -5.159 5.919 0.000) 7.852 12.195 ( 0.403 -3.179 -0.000) 3.205 12.780 ( 3.556 4.650 0.000) 5.853 13.064 ( 9.587 -2.307 -0.000) 9.860 13.443 ( 0.544 12.947 0.000) 12.958 13.842 ( 0.760 5.909 0.000) 5.957 14.520 ( -6.349 -8.523 -0.000) 10.628 14.547 ( -7.376 -8.534 -0.000) 11.280 15.170 ( -4.465 3.981 0.000) 5.982 17.157 ( 5.529 7.256 0.000) 9.123 ======================= Grid point 301 (138/156) ======================= q-point: ( 0.25 0.55 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 11.821 0.405 8.776) 14.728 2.135 ( -0.819 -14.643 7.141) 16.312 2.849 ( 1.618 1.792 1.424) 2.803 3.130 ( 1.474 -5.357 -3.984) 6.837 3.461 ( -2.107 -3.419 -2.322) 4.639 4.167 ( 0.916 3.486 1.852) 4.052 4.766 ( -8.810 -2.107 -7.714) 11.898 5.448 ( 9.595 -7.447 1.459) 12.233 5.814 ( -1.997 -2.059 1.301) 3.149 6.180 ( 8.815 0.067 0.008) 8.815 6.306 ( 0.287 -11.634 3.558) 12.169 6.669 ( -5.685 5.256 3.834) 8.640 6.812 ( 0.549 -0.265 8.431) 8.453 7.455 ( 4.214 -4.977 -11.752) 13.440 7.836 ( -0.706 1.125 -2.784) 3.085 8.452 ( -4.587 3.613 -8.307) 10.154 8.834 ( 2.526 1.598 1.247) 3.239 9.101 ( 5.086 -9.874 -4.940) 12.156 9.421 ( -10.230 0.622 -4.483) 11.187 9.748 ( 9.214 0.497 3.551) 9.887 10.271 ( 4.824 -6.836 3.402) 9.032 10.846 ( -0.213 0.900 1.310) 1.604 11.148 ( 3.520 5.820 -1.798) 7.035 11.331 ( -2.726 0.561 1.864) 3.349 11.456 ( -8.338 1.238 -3.756) 9.228 11.861 ( -1.564 13.050 4.349) 13.844 12.088 ( -0.448 0.304 2.998) 3.046 12.341 ( -3.095 -0.861 -2.408) 4.015 12.605 ( 9.273 5.388 0.306) 10.729 13.121 ( -13.020 4.285 3.587) 14.169 13.531 ( -7.769 9.095 6.377) 13.556 13.759 ( -0.032 6.962 -1.676) 7.161 14.533 ( 1.477 -6.226 5.246) 8.274 14.709 ( 4.778 -0.805 3.184) 5.798 15.276 ( 0.351 3.557 -8.795) 9.493 17.059 ( 0.612 -11.032 -2.249) 11.276 ======================= Grid point 302 (139/156) ======================= q-point: ( 0.25 -0.25 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -6.782 -7.755 -0.000) 10.302 2.500 ( -11.821 0.438 0.000) 11.830 2.800 ( 4.295 0.544 -0.000) 4.330 3.093 ( 4.223 2.480 -0.000) 4.897 3.757 ( 14.325 4.852 -0.000) 15.125 4.021 ( 6.415 -6.354 -0.000) 9.029 5.107 ( 0.212 13.392 0.000) 13.394 5.706 ( 2.170 -10.113 -0.000) 10.343 5.828 ( -7.116 5.360 0.000) 8.909 6.217 ( 0.919 -5.692 -0.000) 5.766 6.598 ( 0.727 2.809 0.000) 2.902 6.827 ( 1.813 -1.620 -0.000) 2.431 7.117 ( 5.239 -1.389 -0.000) 5.421 7.465 ( 7.856 -0.287 -0.000) 7.861 7.684 ( -3.785 -0.013 0.000) 3.785 8.375 ( 4.981 4.438 -0.000) 6.672 8.875 ( -3.472 -4.843 -0.000) 5.959 9.002 ( 0.706 -1.880 -0.000) 2.009 9.307 ( 5.366 4.444 -0.000) 6.967 9.985 ( 0.927 -2.332 -0.000) 2.509 10.419 ( -13.327 6.806 0.000) 14.964 10.563 ( 2.674 -9.342 -0.000) 9.717 10.731 ( -5.600 -1.603 0.000) 5.825 11.114 ( -0.758 3.328 0.000) 3.413 11.405 ( -5.192 3.184 0.000) 6.091 11.699 ( -2.563 -4.728 -0.000) 5.378 12.000 ( -3.478 1.811 0.000) 3.921 12.178 ( 1.927 1.081 -0.000) 2.210 12.896 ( 0.008 2.836 0.000) 2.836 13.100 ( 6.722 -12.001 -0.000) 13.755 13.659 ( -1.536 4.434 0.000) 4.692 13.841 ( -5.550 -4.292 0.000) 7.016 14.200 ( -7.631 2.832 0.000) 8.140 14.413 ( -0.030 -0.683 -0.000) 0.684 15.168 ( -1.042 3.141 0.000) 3.310 17.486 ( 9.325 7.617 -0.000) 12.041 ======================= Grid point 306 (140/156) ======================= q-point: ( 0.25 0.55 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -2.018 -10.258 5.733) 11.923 2.162 ( 14.093 -0.457 10.374) 17.506 2.927 ( 0.509 -2.520 0.129) 2.574 3.088 ( 6.318 -1.369 -3.010) 7.131 3.382 ( -4.273 4.049 -1.841) 6.168 4.062 ( -5.191 -1.483 -4.950) 7.325 4.930 ( 7.682 10.765 -1.084) 13.269 5.438 ( 7.581 -11.472 3.871) 14.285 5.866 ( 5.119 2.444 -1.571) 5.886 6.101 ( 2.287 -8.454 1.711) 8.923 6.390 ( 12.787 -3.044 3.553) 13.616 6.682 ( -5.451 6.283 3.799) 9.144 6.827 ( 1.676 -0.634 8.744) 8.926 7.411 ( 2.017 -4.148 -13.042) 13.833 7.825 ( -2.161 0.724 -3.053) 3.810 8.465 ( -3.744 5.785 -8.614) 11.031 8.916 ( 2.710 -6.779 -3.068) 7.919 8.981 ( 3.461 -0.342 1.467) 3.775 9.337 ( -5.816 5.594 -4.797) 9.388 9.858 ( 4.427 -4.729 -0.888) 6.538 10.226 ( 5.917 -5.834 5.761) 10.111 10.847 ( -1.100 0.073 0.310) 1.145 11.077 ( -9.970 -0.742 -0.177) 9.999 11.330 ( -4.788 2.514 -2.623) 6.011 11.435 ( -0.126 5.122 0.994) 5.219 11.913 ( -8.458 3.677 4.186) 10.128 12.106 ( -0.614 0.599 2.781) 2.910 12.266 ( -5.226 0.854 -2.632) 5.914 12.722 ( 7.041 -10.469 0.925) 12.651 13.068 ( -7.859 13.045 0.342) 15.234 13.673 ( -3.453 10.118 6.375) 12.447 13.904 ( 1.387 2.780 4.440) 5.419 14.375 ( -3.290 -2.364 4.582) 6.116 14.563 ( -5.354 -7.554 -2.070) 9.488 15.333 ( -1.505 0.307 -6.575) 6.752 17.069 ( 11.786 -0.737 -2.260) 12.023 ======================= Grid point 307 (141/156) ======================= q-point: ( 0.30 -0.30 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -5.288 6.301 0.000) 8.226 2.527 ( -10.325 2.190 0.000) 10.555 2.769 ( 6.293 -2.826 -0.000) 6.898 3.193 ( 4.521 6.579 0.000) 7.983 3.832 ( 2.094 1.931 -0.000) 2.848 3.935 ( 15.156 -1.451 -0.000) 15.225 5.328 ( -3.581 -4.476 -0.000) 5.732 5.438 ( 8.128 -2.352 -0.000) 8.462 5.836 ( -6.657 -4.275 0.000) 7.911 6.166 ( -0.824 -1.302 -0.000) 1.540 6.558 ( 0.114 -4.491 -0.000) 4.492 6.799 ( 2.588 -0.700 -0.000) 2.681 7.069 ( 4.455 -4.610 -0.000) 6.411 7.503 ( 8.037 4.393 -0.000) 9.159 7.698 ( -5.382 0.417 0.000) 5.398 8.450 ( 5.982 1.603 -0.000) 6.193 8.757 ( -2.415 -2.197 0.000) 3.265 9.101 ( 4.001 8.923 0.000) 9.779 9.468 ( 0.673 10.274 0.000) 10.296 9.891 ( 4.865 -6.739 -0.000) 8.311 10.405 ( 3.651 -2.898 -0.000) 4.661 10.556 ( -14.127 3.814 0.000) 14.633 10.777 ( -5.324 5.218 0.000) 7.454 11.165 ( -3.140 1.784 0.000) 3.612 11.416 ( -7.483 -4.810 0.000) 8.896 11.597 ( -0.977 -1.614 -0.000) 1.886 12.066 ( -4.137 4.974 0.000) 6.470 12.223 ( 2.166 2.950 0.000) 3.660 12.748 ( 9.411 -15.481 -0.000) 18.118 13.033 ( -9.050 3.043 0.000) 9.548 13.598 ( -2.880 -13.337 -0.000) 13.644 13.704 ( 0.794 -1.782 -0.000) 1.951 14.376 ( -6.227 11.279 0.000) 12.883 14.453 ( -5.017 3.038 0.000) 5.865 15.211 ( 2.746 1.652 -0.000) 3.204 17.556 ( 10.479 -0.750 -0.000) 10.505 ======================= Grid point 310 (142/156) ======================= q-point: ( 0.30 0.30 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 0.000 0.000 19.515) 19.515 1.452 ( 0.000 0.000 19.515) 19.515 2.943 ( 0.000 0.000 39.856) 39.856 3.041 ( -0.000 -0.000 -10.907) 10.907 3.041 ( -0.000 -0.000 -10.907) 10.907 4.497 ( 0.000 0.000 0.492) 0.492 5.082 ( -0.000 -0.000 -14.356) 14.356 5.082 ( -0.000 -0.000 -14.356) 14.356 5.724 ( 0.000 0.000 13.936) 13.936 5.895 ( -0.000 -0.000 -0.463) 0.463 5.895 ( -0.000 -0.000 -0.463) 0.463 6.525 ( 0.000 0.000 5.748) 5.748 6.895 ( 0.000 0.000 9.378) 9.378 7.569 ( -0.000 -0.000 -12.896) 12.896 8.147 ( -0.000 -0.000 -11.790) 11.790 8.733 ( -0.000 -0.000 -0.334) 0.334 8.733 ( -0.000 -0.000 -0.334) 0.334 9.210 ( -0.000 -0.000 -26.022) 26.022 9.740 ( -0.000 -0.000 -5.784) 5.784 9.740 ( -0.000 -0.000 -5.784) 5.784 9.760 ( 0.000 0.000 10.838) 10.838 10.926 ( -0.000 -0.000 -2.816) 2.816 11.174 ( 0.000 0.000 4.204) 4.204 11.174 ( 0.000 0.000 4.204) 4.204 11.736 ( -0.000 -0.000 -5.882) 5.882 12.150 ( 0.000 0.000 6.425) 6.425 12.222 ( 0.000 0.000 2.068) 2.068 12.222 ( 0.000 0.000 2.068) 2.068 12.555 ( 0.000 0.000 2.036) 2.036 13.514 ( 0.000 0.000 12.884) 12.884 13.582 ( 0.000 0.000 6.200) 6.200 13.582 ( 0.000 0.000 6.200) 6.200 14.618 ( 0.000 0.000 0.072) 0.072 14.618 ( 0.000 0.000 0.072) 0.072 15.501 ( -0.000 -0.000 -11.316) 11.316 16.600 ( 0.000 0.000 2.430) 2.430 ======================= Grid point 311 (143/156) ======================= q-point: ( 0.30 0.50 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -1.160 1.525 7.743) 7.976 2.151 ( 14.588 -0.687 9.723) 17.544 2.860 ( -1.373 -2.633 0.197) 2.976 3.104 ( 7.287 1.459 -4.003) 8.442 3.450 ( 0.164 2.411 0.266) 2.432 4.095 ( -7.581 4.273 -4.117) 9.627 5.031 ( 9.264 -10.753 -2.864) 14.480 5.256 ( 7.961 4.731 0.755) 9.292 5.881 ( 2.291 -2.874 1.215) 3.871 6.043 ( 5.207 3.773 0.976) 6.504 6.325 ( 11.912 -2.439 4.418) 12.937 6.724 ( -1.180 -0.808 7.255) 7.395 6.833 ( -3.659 -0.480 5.889) 6.950 7.388 ( 3.285 1.756 -13.188) 13.704 7.838 ( -2.569 0.428 -3.547) 4.401 8.522 ( -3.833 -1.268 -8.044) 9.000 8.820 ( 1.146 -1.418 1.183) 2.173 9.004 ( 6.299 3.133 -8.534) 11.060 9.495 ( -4.129 7.996 1.496) 9.122 9.702 ( 2.075 -9.050 -2.211) 9.544 10.195 ( 6.756 2.190 4.146) 8.224 10.848 ( -1.097 0.070 1.026) 1.504 11.076 ( -7.091 1.757 -1.377) 7.434 11.357 ( -0.528 0.261 -1.262) 1.393 11.524 ( -1.531 2.143 0.736) 2.735 11.920 ( -16.163 -3.181 2.691) 16.692 12.106 ( -1.500 -0.702 2.526) 3.021 12.334 ( -1.600 5.051 0.350) 5.310 12.540 ( 2.150 -5.559 -0.485) 5.980 13.257 ( -8.197 3.089 2.964) 9.248 13.620 ( -2.240 -6.866 4.278) 8.394 13.913 ( -6.969 -8.397 5.899) 12.404 14.439 ( 0.676 7.242 -1.008) 7.343 14.549 ( -2.132 7.381 3.697) 8.526 15.304 ( -1.968 -2.493 -7.827) 8.447 17.059 ( 15.086 -0.389 -1.937) 15.214 ======================= Grid point 343 (144/156) ======================= q-point: (-0.70 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 13.441 2.138 -0.000) 13.610 2.454 ( -3.396 -12.037 -0.000) 12.507 2.815 ( 1.631 7.580 0.000) 7.753 3.155 ( 1.925 -6.248 -0.000) 6.538 3.598 ( -2.577 -13.845 -0.000) 14.083 4.049 ( 9.734 8.343 -0.000) 12.820 4.833 ( -18.893 -8.690 0.000) 20.796 5.563 ( 7.352 -2.222 -0.000) 7.680 5.884 ( -1.050 -2.764 -0.000) 2.957 6.083 ( -3.376 7.925 0.000) 8.615 6.505 ( -0.140 -1.952 -0.000) 1.957 6.648 ( -5.096 -5.670 -0.000) 7.624 6.976 ( 1.200 -1.232 -0.000) 1.720 7.459 ( 6.425 -8.110 -0.000) 10.347 7.777 ( -0.382 2.540 0.000) 2.568 8.350 ( -3.733 -1.424 0.000) 3.995 8.819 ( 3.930 1.460 -0.000) 4.193 9.184 ( 9.386 -6.401 -0.000) 11.361 9.468 ( -11.233 -6.671 0.000) 13.064 9.804 ( 11.291 -1.045 -0.000) 11.339 10.401 ( 6.049 -2.647 -0.000) 6.603 10.808 ( -1.498 7.077 0.000) 7.234 10.982 ( 2.916 8.023 0.000) 8.536 11.307 ( 1.576 2.964 0.000) 3.357 11.347 ( -13.149 6.634 0.000) 14.727 11.708 ( 6.678 4.187 -0.000) 7.882 12.166 ( 1.967 -2.820 -0.000) 3.438 12.317 ( -11.790 1.909 0.000) 11.943 12.414 ( 7.255 6.126 -0.000) 9.495 13.146 ( -7.627 0.149 0.000) 7.629 13.429 ( -13.158 10.587 0.000) 16.889 13.634 ( 3.976 -2.661 -0.000) 4.784 14.630 ( 3.613 3.678 0.000) 5.155 14.719 ( 7.332 5.507 -0.000) 9.169 15.153 ( -0.319 -2.549 -0.000) 2.569 17.256 ( -5.592 -10.863 -0.000) 12.218 ======================= Grid point 349 (145/156) ======================= q-point: ( 0.30 0.70 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -3.471 -12.611 -0.000) 13.079 2.263 ( 14.125 0.253 -0.000) 14.127 2.951 ( 2.977 2.224 -0.000) 3.716 3.142 ( 6.433 -2.494 -0.000) 6.900 3.267 ( -13.412 -3.509 0.000) 13.864 4.130 ( -4.099 -7.846 -0.000) 8.852 4.715 ( 7.943 9.619 0.000) 12.475 5.629 ( 5.037 -2.272 -0.000) 5.526 5.806 ( 1.520 0.187 -0.000) 1.532 6.331 ( 2.159 -6.836 -0.000) 7.169 6.366 ( 4.132 4.523 0.000) 6.126 6.567 ( -2.194 5.070 0.000) 5.524 7.000 ( 4.552 -3.165 -0.000) 5.544 7.394 ( 3.703 -9.041 -0.000) 9.770 7.789 ( -1.463 0.504 0.000) 1.548 8.285 ( -3.269 2.705 0.000) 4.243 8.934 ( 5.903 -1.131 -0.000) 6.010 9.136 ( -10.844 -0.752 0.000) 10.870 9.210 ( 6.334 -7.252 -0.000) 9.629 9.942 ( 5.720 -3.575 -0.000) 6.745 10.441 ( 7.694 -7.995 -0.000) 11.096 10.852 ( -0.118 0.733 0.000) 0.742 11.021 ( -17.042 7.875 0.000) 18.774 11.253 ( -4.830 -0.323 0.000) 4.840 11.355 ( 3.562 3.407 -0.000) 4.929 11.882 ( -2.176 3.720 0.000) 4.310 12.115 ( -1.846 0.550 0.000) 1.926 12.216 ( -4.129 1.683 0.000) 4.459 12.762 ( 2.026 13.685 0.000) 13.834 12.932 ( -1.474 -6.077 -0.000) 6.253 13.461 ( -3.698 12.176 0.000) 12.725 13.803 ( 3.693 7.873 0.000) 8.696 14.631 ( -2.375 -5.523 -0.000) 6.012 14.664 ( -6.301 -9.526 -0.000) 11.421 15.217 ( 0.440 4.245 0.000) 4.267 17.070 ( 3.041 -1.795 -0.000) 3.531 ======================= Grid point 355 (146/156) ======================= q-point: ( 0.30 0.70 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -5.107 -8.211 -0.000) 9.670 2.528 ( 10.218 -0.138 -0.000) 10.219 2.861 ( -10.431 -4.623 0.000) 11.409 3.055 ( -0.767 4.153 0.000) 4.223 3.443 ( 15.282 6.538 -0.000) 16.622 3.954 ( 0.685 -6.106 -0.000) 6.145 5.078 ( 4.028 12.757 0.000) 13.378 5.637 ( 5.203 -11.116 -0.000) 12.274 5.894 ( 0.809 2.078 0.000) 2.230 6.167 ( 3.056 -4.236 -0.000) 5.223 6.611 ( -3.279 6.323 0.000) 7.122 6.682 ( 11.681 -2.010 -0.000) 11.853 7.024 ( 4.176 -2.547 -0.000) 4.892 7.327 ( 5.580 -2.928 -0.000) 6.302 7.746 ( -2.463 -0.140 0.000) 2.467 8.334 ( -0.418 5.057 0.000) 5.074 8.929 ( -0.157 -1.499 -0.000) 1.507 9.009 ( -1.346 -7.670 -0.000) 7.787 9.239 ( 0.876 8.170 0.000) 8.217 9.932 ( 3.880 -5.490 -0.000) 6.722 10.412 ( 5.992 -7.485 -0.000) 9.588 10.783 ( -15.630 4.555 0.000) 16.280 10.836 ( -4.052 -1.095 0.000) 4.197 11.170 ( -5.638 3.959 0.000) 6.890 11.469 ( -0.582 3.646 0.000) 3.693 11.787 ( -6.599 -3.441 0.000) 7.443 12.099 ( -5.532 3.532 0.000) 6.564 12.159 ( -0.529 0.522 0.000) 0.743 12.821 ( 4.955 -7.434 -0.000) 8.935 13.023 ( 1.780 5.563 0.000) 5.841 13.684 ( -1.519 6.230 0.000) 6.412 13.940 ( -3.613 1.194 0.000) 3.805 14.328 ( -5.502 -5.385 0.000) 7.699 14.444 ( -3.194 -0.606 0.000) 3.251 15.219 ( -3.309 0.540 0.000) 3.353 17.281 ( 11.383 4.647 -0.000) 12.295 ======================= Grid point 360 (147/156) ======================= q-point: ( 0.30 0.50 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 1.176 -8.458 8.761) 12.235 1.891 ( 10.151 -3.284 9.245) 14.117 2.885 ( 2.538 1.794 -1.522) 3.461 2.990 ( 2.863 -6.774 -4.305) 8.522 3.484 ( -3.746 3.020 9.285) 10.458 4.228 ( -9.543 3.380 -1.896) 10.300 4.797 ( 3.474 5.255 -8.561) 10.629 5.237 ( 11.997 -13.729 -1.778) 18.318 5.816 ( -0.442 2.377 2.169) 3.248 6.062 ( 2.326 -9.908 1.749) 10.327 6.151 ( 9.964 -3.866 4.324) 11.529 6.706 ( 1.303 -0.645 9.042) 9.158 6.904 ( -6.543 6.741 5.484) 10.878 7.357 ( 2.887 -3.971 -14.837) 15.628 7.879 ( -2.726 2.553 -4.434) 5.797 8.549 ( -4.489 5.730 -8.719) 11.358 8.821 ( 4.614 -3.582 -1.059) 5.937 8.931 ( 3.188 -5.859 -5.308) 8.525 9.481 ( -8.685 4.994 -2.978) 10.452 9.750 ( 6.411 -0.892 -0.090) 6.473 10.117 ( 4.985 -7.388 5.123) 10.280 10.856 ( -0.365 0.376 -1.090) 1.210 11.213 ( -2.233 -0.142 0.204) 2.246 11.278 ( 2.626 -1.348 1.184) 3.181 11.541 ( -5.144 4.399 -3.579) 7.656 12.052 ( -4.601 5.584 3.907) 8.223 12.159 ( -4.895 4.923 1.895) 7.196 12.375 ( -5.266 4.631 0.009) 7.012 12.551 ( 8.970 -7.976 1.103) 12.054 13.286 ( -12.608 10.933 3.556) 17.063 13.747 ( 1.718 7.429 6.379) 9.941 13.853 ( -1.855 2.137 4.009) 4.907 14.435 ( -2.638 0.600 2.719) 3.836 14.653 ( -2.385 -5.132 0.494) 5.680 15.327 ( 1.495 0.955 -8.292) 8.479 16.861 ( 8.409 -8.150 -1.121) 11.764 ======================= Grid point 361 (148/156) ======================= q-point: ( 0.35 0.65 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -3.711 4.074 0.000) 5.511 2.507 ( 11.565 -1.915 -0.000) 11.723 2.805 ( -8.629 -0.989 0.000) 8.686 3.117 ( 2.781 2.250 -0.000) 3.577 3.574 ( 15.448 5.011 -0.000) 16.241 3.908 ( -5.148 2.608 0.000) 5.771 5.244 ( 10.879 -15.080 -0.000) 18.595 5.371 ( 1.121 5.408 0.000) 5.523 5.905 ( -0.469 -0.722 -0.000) 0.861 6.138 ( 3.262 -1.166 -0.000) 3.464 6.558 ( 3.152 -5.142 -0.000) 6.031 6.704 ( 1.912 -0.081 -0.000) 1.914 6.992 ( 3.765 -1.735 -0.000) 4.146 7.344 ( 7.658 4.257 -0.000) 8.761 7.762 ( -1.711 1.445 0.000) 2.240 8.396 ( -0.059 0.161 0.000) 0.172 8.831 ( -4.205 -5.178 -0.000) 6.670 9.005 ( 5.742 6.804 0.000) 8.903 9.474 ( -1.088 12.410 0.000) 12.458 9.774 ( 6.112 -9.504 -0.000) 11.299 10.337 ( 3.852 0.087 -0.000) 3.853 10.826 ( -10.095 0.133 0.000) 10.095 10.872 ( -5.316 4.812 0.000) 7.170 11.251 ( -5.580 3.811 0.000) 6.757 11.568 ( -1.808 6.573 0.000) 6.817 11.630 ( -9.289 -12.356 -0.000) 15.458 12.142 ( -0.136 0.950 0.000) 0.959 12.248 ( -6.530 7.764 0.000) 10.144 12.581 ( 5.899 -13.750 -0.000) 14.962 13.175 ( -4.908 5.492 0.000) 7.365 13.634 ( -0.692 -5.674 -0.000) 5.716 13.768 ( -8.508 -16.814 -0.000) 18.844 14.444 ( -1.069 13.409 0.000) 13.451 14.548 ( -3.492 8.336 0.000) 9.038 15.193 ( -0.692 -2.656 -0.000) 2.745 17.322 ( 13.254 -0.720 -0.000) 13.274 ======================= Grid point 366 (149/156) ======================= q-point: ( 0.35 0.45 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -0.040 0.663 9.552) 9.575 1.873 ( 12.018 -0.554 9.671) 15.436 2.876 ( -0.441 -1.845 -2.977) 3.530 2.946 ( 6.508 1.761 -4.928) 8.351 3.518 ( -4.072 0.081 15.287) 15.820 4.301 ( -13.066 2.486 -3.307) 13.705 4.876 ( 5.945 -6.431 -8.715) 12.355 5.031 ( 13.952 3.769 -4.923) 15.268 5.866 ( -1.007 -2.216 3.828) 4.536 5.949 ( 3.778 3.602 1.198) 5.355 6.096 ( 10.402 -1.443 5.156) 11.699 6.693 ( 1.947 -0.204 9.612) 9.810 6.979 ( -7.384 -0.046 5.959) 9.488 7.321 ( 2.897 0.298 -15.405) 15.677 7.909 ( -3.741 0.044 -5.865) 6.956 8.619 ( -5.709 -0.923 -7.584) 9.537 8.760 ( 4.031 0.561 -1.131) 4.224 8.882 ( 5.895 0.452 -8.872) 10.661 9.593 ( -5.540 4.475 -0.245) 7.126 9.677 ( 0.806 -5.285 -2.414) 5.865 10.048 ( 7.478 0.985 6.034) 9.659 10.861 ( -0.569 0.003 -1.723) 1.815 11.189 ( -4.217 0.281 1.107) 4.369 11.286 ( 4.713 0.003 1.142) 4.849 11.589 ( -3.124 0.180 -3.977) 5.060 12.106 ( -5.170 -0.582 2.417) 5.737 12.230 ( -4.462 1.102 1.792) 4.933 12.402 ( 0.665 -2.410 3.049) 3.943 12.465 ( -3.529 1.635 -0.323) 3.903 13.468 ( -12.119 1.907 4.903) 13.211 13.663 ( -1.680 -4.130 3.845) 5.888 13.926 ( 6.838 0.172 7.987) 10.515 14.504 ( -7.991 -3.600 -0.275) 8.769 14.597 ( -2.109 6.302 1.187) 6.751 15.318 ( 0.615 -0.926 -8.515) 8.587 16.774 ( 12.508 -0.070 -0.198) 12.509 ======================= Grid point 403 (150/156) ======================= q-point: (-0.65 -0.35 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 12.552 0.991 -0.000) 12.591 2.190 ( -2.723 -14.025 -0.000) 14.287 2.892 ( 2.051 -0.041 -0.000) 2.051 3.076 ( 1.440 -4.106 -0.000) 4.351 3.430 ( -3.368 -0.040 0.000) 3.368 4.192 ( 3.163 4.631 0.000) 5.609 4.681 ( -10.001 -4.570 0.000) 10.995 5.467 ( 10.910 -8.270 -0.000) 13.690 5.825 ( -3.506 -1.650 0.000) 3.875 6.180 ( 8.575 0.198 -0.000) 8.577 6.346 ( -0.169 -10.844 -0.000) 10.846 6.710 ( -8.399 9.022 0.000) 12.326 6.934 ( 1.878 -1.882 -0.000) 2.658 7.298 ( 5.583 -8.284 -0.000) 9.990 7.805 ( -0.126 1.163 0.000) 1.170 8.367 ( -4.594 2.948 0.000) 5.458 8.856 ( 1.592 0.520 -0.000) 1.675 9.035 ( 9.692 -8.330 -0.000) 12.780 9.387 ( -13.044 -0.363 0.000) 13.049 9.784 ( 10.008 -1.139 -0.000) 10.073 10.309 ( 5.442 -6.376 -0.000) 8.383 10.862 ( -0.768 -0.475 0.000) 0.903 11.122 ( 4.930 5.860 0.000) 7.658 11.345 ( -0.740 0.369 0.000) 0.826 11.424 ( -11.927 2.083 0.000) 12.108 11.902 ( -0.573 13.768 0.000) 13.780 12.117 ( -0.270 -0.717 -0.000) 0.766 12.317 ( -5.075 0.589 0.000) 5.109 12.609 ( 9.593 5.809 -0.000) 11.215 13.154 ( -14.249 3.681 0.000) 14.716 13.611 ( -7.586 8.848 0.000) 11.655 13.725 ( -0.901 10.237 0.000) 10.276 14.591 ( 5.692 -7.264 -0.000) 9.229 14.747 ( 1.375 -1.845 -0.000) 2.301 15.177 ( 1.162 3.900 0.000) 4.070 17.039 ( 0.338 -10.788 -0.000) 10.793 ======================= Grid point 409 (151/156) ======================= q-point: ( 0.35 0.65 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -3.588 -9.005 -0.000) 9.694 2.261 ( 15.267 -0.732 -0.000) 15.285 2.943 ( 1.477 -2.572 -0.000) 2.965 3.064 ( 6.489 -2.443 -0.000) 6.934 3.348 ( -9.973 6.902 0.000) 12.129 4.003 ( -6.432 -3.164 0.000) 7.168 4.930 ( 10.666 11.373 0.000) 15.592 5.479 ( 11.139 -13.895 -0.000) 17.809 5.843 ( 2.415 3.675 0.000) 4.398 6.120 ( 1.817 -7.963 -0.000) 8.168 6.426 ( 13.216 -1.866 -0.000) 13.347 6.732 ( -8.033 8.503 0.000) 11.697 6.954 ( 2.642 -1.220 -0.000) 2.910 7.233 ( 4.391 -5.988 -0.000) 7.425 7.792 ( -2.311 0.144 0.000) 2.315 8.374 ( -3.310 5.361 0.000) 6.300 8.872 ( 4.278 -3.717 -0.000) 5.667 9.012 ( 3.236 -8.100 -0.000) 8.722 9.290 ( -6.223 10.463 0.000) 12.173 9.851 ( 4.284 -6.333 -0.000) 7.646 10.289 ( 6.261 -6.099 -0.000) 8.741 10.846 ( 0.304 -0.154 -0.000) 0.341 11.077 ( -11.546 -0.678 0.000) 11.566 11.297 ( -4.261 2.564 0.000) 4.973 11.443 ( 0.820 5.889 0.000) 5.946 11.955 ( -9.532 2.768 0.000) 9.926 12.130 ( -0.184 0.668 0.000) 0.693 12.243 ( -5.631 2.186 0.000) 6.041 12.731 ( 6.277 -10.951 -0.000) 12.622 13.071 ( -8.786 14.055 0.000) 16.575 13.738 ( -4.722 9.235 0.000) 10.373 13.943 ( 3.635 6.826 0.000) 7.734 14.459 ( -5.860 -6.729 -0.000) 8.922 14.507 ( -4.609 -6.282 -0.000) 7.791 15.265 ( -0.657 -0.003 0.000) 0.657 17.050 ( 11.576 -0.483 -0.000) 11.586 ======================= Grid point 415 (152/156) ======================= q-point: ( 0.40 0.60 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -2.251 2.406 0.000) 3.294 2.236 ( 14.932 -1.808 -0.000) 15.041 2.889 ( 0.557 -1.759 -0.000) 1.845 3.056 ( 6.681 0.732 -0.000) 6.721 3.440 ( -5.637 1.930 0.000) 5.958 4.047 ( -8.858 7.183 0.000) 11.404 5.011 ( 12.200 -14.516 -0.000) 18.962 5.261 ( 10.343 5.213 -0.000) 11.582 5.895 ( 0.420 -1.217 -0.000) 1.287 6.052 ( 5.054 2.564 -0.000) 5.667 6.371 ( 12.000 -2.488 -0.000) 12.255 6.814 ( -8.333 -0.893 0.000) 8.381 6.931 ( 1.275 -1.192 -0.000) 1.745 7.204 ( 6.549 2.847 -0.000) 7.141 7.799 ( -2.409 0.526 0.000) 2.466 8.433 ( -3.454 -0.747 0.000) 3.534 8.861 ( 3.852 1.910 -0.000) 4.300 8.894 ( 3.634 -1.165 -0.000) 3.816 9.511 ( -2.954 9.071 0.000) 9.540 9.684 ( 2.696 -8.335 -0.000) 8.761 10.240 ( 5.946 1.068 -0.000) 6.041 10.861 ( 1.037 1.074 0.000) 1.494 11.058 ( -8.991 0.298 0.000) 8.996 11.337 ( -1.279 1.446 0.000) 1.930 11.533 ( 1.291 1.310 0.000) 1.839 11.945 ( -17.968 -3.222 0.000) 18.255 12.131 ( -0.843 -0.621 0.000) 1.047 12.337 ( -1.853 5.635 0.000) 5.931 12.538 ( 1.258 -6.212 -0.000) 6.338 13.284 ( -8.594 4.810 0.000) 9.848 13.664 ( -2.110 -7.787 -0.000) 8.068 13.972 ( -9.715 -12.218 -0.000) 15.610 14.428 ( 1.401 8.665 0.000) 8.778 14.591 ( -1.375 10.516 0.000) 10.605 15.220 ( -1.375 -3.826 -0.000) 4.066 17.043 ( 14.696 -0.378 -0.000) 14.700 ======================= Grid point 420 (153/156) ======================= q-point: ( 0.40 0.40 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 0.000 0.000 10.201) 10.201 1.743 ( 0.000 0.000 10.201) 10.201 2.881 ( -0.000 -0.000 -5.203) 5.203 2.881 ( -0.000 -0.000 -5.203) 5.203 3.561 ( 0.000 0.000 23.209) 23.209 4.509 ( 0.000 0.000 0.560) 0.560 4.815 ( -0.000 -0.000 -11.612) 11.612 4.815 ( -0.000 -0.000 -11.612) 11.612 5.910 ( 0.000 0.000 1.199) 1.199 5.910 ( 0.000 0.000 1.199) 1.199 5.956 ( 0.000 0.000 9.379) 9.379 6.673 ( 0.000 0.000 9.771) 9.771 7.058 ( 0.000 0.000 6.861) 6.861 7.291 ( -0.000 -0.000 -15.616) 15.616 7.952 ( -0.000 -0.000 -7.791) 7.791 8.711 ( -0.000 -0.000 -1.498) 1.498 8.711 ( -0.000 -0.000 -1.498) 1.498 8.792 ( -0.000 -0.000 -16.253) 16.253 9.668 ( -0.000 -0.000 -2.054) 2.054 9.668 ( -0.000 -0.000 -2.054) 2.054 9.953 ( 0.000 0.000 8.448) 8.448 10.869 ( -0.000 -0.000 -2.831) 2.831 11.232 ( 0.000 0.000 1.955) 1.955 11.232 ( 0.000 0.000 1.955) 1.955 11.621 ( -0.000 -0.000 -5.101) 5.101 12.231 ( 0.000 0.000 2.301) 2.301 12.256 ( 0.000 0.000 1.355) 1.355 12.256 ( 0.000 0.000 1.355) 1.355 12.596 ( 0.000 0.000 1.842) 1.842 13.680 ( 0.000 0.000 3.679) 3.679 13.680 ( 0.000 0.000 3.679) 3.679 13.747 ( 0.000 0.000 10.130) 10.130 14.620 ( 0.000 0.000 0.070) 0.070 14.620 ( 0.000 0.000 0.070) 0.070 15.301 ( -0.000 -0.000 -8.610) 8.610 16.636 ( 0.000 0.000 1.292) 1.292 ======================= Grid point 465 (154/156) ======================= q-point: ( 0.40 0.60 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -1.172 -9.293 -0.000) 9.367 1.978 ( 11.489 -1.348 -0.000) 11.568 2.877 ( 3.572 -0.422 -0.000) 3.596 2.952 ( 3.598 -6.468 -0.000) 7.401 3.563 ( -8.626 9.196 0.000) 12.609 4.211 ( -12.270 -0.608 0.000) 12.285 4.713 ( 8.294 7.048 -0.000) 10.884 5.222 ( 13.959 -16.299 -0.000) 21.460 5.836 ( -1.812 2.812 0.000) 3.345 6.077 ( 3.821 -8.628 -0.000) 9.436 6.203 ( 7.781 -3.741 -0.000) 8.633 6.846 ( -1.591 2.219 0.000) 2.730 6.967 ( -4.849 5.917 0.000) 7.650 7.151 ( 3.807 -5.884 -0.000) 7.008 7.833 ( -1.615 1.385 0.000) 2.127 8.455 ( -4.597 5.462 0.000) 7.139 8.802 ( 2.210 -5.248 -0.000) 5.695 8.888 ( 8.107 -5.935 -0.000) 10.047 9.456 ( -9.659 6.362 0.000) 11.566 9.750 ( 6.209 -2.798 -0.000) 6.810 10.176 ( 4.943 -6.102 -0.000) 7.853 10.842 ( -0.005 -0.688 -0.000) 0.688 11.210 ( -0.802 2.383 0.000) 2.514 11.291 ( 0.208 -2.862 -0.000) 2.869 11.505 ( -4.223 4.154 0.000) 5.923 12.088 ( -3.487 4.364 0.000) 5.586 12.176 ( -4.490 5.102 0.000) 6.796 12.377 ( -7.449 5.608 0.000) 9.324 12.563 ( 9.573 -7.660 -0.000) 12.260 13.321 ( -14.319 11.157 0.000) 18.152 13.813 ( 8.800 6.189 -0.000) 10.758 13.889 ( -9.788 6.005 0.000) 11.483 14.470 ( 1.340 -0.096 -0.000) 1.344 14.655 ( -5.314 -7.389 -0.000) 9.102 15.239 ( 2.431 1.361 -0.000) 2.786 16.852 ( 7.716 -7.479 -0.000) 10.746 ======================= Grid point 471 (155/156) ======================= q-point: ( 0.45 0.55 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -0.618 1.030 0.000) 1.201 1.962 ( 11.514 -0.938 -0.000) 11.552 2.855 ( 1.806 -1.493 -0.000) 2.343 2.902 ( 6.518 1.450 -0.000) 6.678 3.660 ( -11.816 -0.590 0.000) 11.831 4.264 ( -13.448 5.424 0.000) 14.501 4.793 ( 9.103 -10.632 -0.000) 13.996 4.983 ( 16.938 5.555 -0.000) 17.826 5.902 ( -1.067 -2.017 -0.000) 2.282 5.961 ( 3.650 2.985 -0.000) 4.716 6.155 ( 9.042 -0.993 -0.000) 9.096 6.856 ( 1.215 -0.255 -0.000) 1.242 7.039 ( -8.033 -0.583 0.000) 8.054 7.098 ( 3.750 0.927 -0.000) 3.863 7.849 ( -2.213 0.054 0.000) 2.214 8.525 ( -5.729 -0.670 0.000) 5.769 8.750 ( 5.141 2.771 -0.000) 5.840 8.806 ( 6.265 -2.084 -0.000) 6.603 9.591 ( -4.668 4.492 0.000) 6.478 9.656 ( 0.649 -4.677 -0.000) 4.722 10.116 ( 6.088 0.454 -0.000) 6.105 10.841 ( 0.601 0.236 -0.000) 0.646 11.199 ( -5.125 -0.702 0.000) 5.173 11.295 ( 3.695 0.914 -0.000) 3.806 11.549 ( -1.716 0.037 0.000) 1.717 12.129 ( -4.661 -0.384 0.000) 4.677 12.247 ( -3.838 0.225 0.000) 3.844 12.433 ( 4.698 0.153 -0.000) 4.701 12.462 ( -8.733 -0.320 0.000) 8.739 13.516 ( -13.130 3.534 0.000) 13.597 13.702 ( -1.465 -6.248 -0.000) 6.418 14.010 ( 6.789 0.910 -0.000) 6.850 14.499 ( -8.800 -6.090 0.000) 10.702 14.612 ( -0.801 9.135 0.000) 9.170 15.228 ( 0.735 -1.433 -0.000) 1.611 16.773 ( 11.475 -0.061 -0.000) 11.475 ======================= Grid point 527 (156/156) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 5.25e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 0.000 0.000 0.000) 0.000 1.839 ( 0.000 0.000 0.000) 0.000 2.836 ( 0.000 0.000 0.000) 0.000 2.836 ( 0.000 0.000 0.000) 0.000 3.791 ( 0.000 0.000 0.000) 0.000 4.515 ( 0.000 0.000 0.000) 0.000 4.694 ( 0.000 0.000 0.000) 0.000 4.694 ( 0.000 0.000 0.000) 0.000 5.923 ( 0.000 0.000 0.000) 0.000 5.923 ( 0.000 0.000 0.000) 0.000 6.052 ( 0.000 0.000 0.000) 0.000 6.841 ( 0.000 0.000 0.000) 0.000 7.059 ( -0.000 -0.000 -0.000) 0.000 7.130 ( 0.000 0.000 0.000) 0.000 7.872 ( 0.000 0.000 0.000) 0.000 8.629 ( 0.000 0.000 0.000) 0.000 8.694 ( 0.000 0.000 0.000) 0.000 8.694 ( 0.000 0.000 0.000) 0.000 9.650 ( 0.000 0.000 0.000) 0.000 9.650 ( 0.000 0.000 0.000) 0.000 10.043 ( 0.000 0.000 0.000) 0.000 10.837 ( 0.000 0.000 0.000) 0.000 11.251 ( 0.000 0.000 0.000) 0.000 11.251 ( 0.000 0.000 0.000) 0.000 11.568 ( 0.000 0.000 0.000) 0.000 12.251 ( 0.000 0.000 0.000) 0.000 12.270 ( 0.000 0.000 0.000) 0.000 12.270 ( 0.000 0.000 0.000) 0.000 12.615 ( 0.000 0.000 0.000) 0.000 13.716 ( 0.000 0.000 0.000) 0.000 13.716 ( 0.000 0.000 0.000) 0.000 13.853 ( 0.000 0.000 0.000) 0.000 14.620 ( 0.000 0.000 0.000) 0.000 14.620 ( 0.000 0.000 0.000) 0.000 15.210 ( 0.000 0.000 0.000) 0.000 16.649 ( 0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/36000 10.0 981.576 981.576 964.366 0.000 0.000 0.000 3/36000 20.0 311.455 311.455 322.783 0.000 0.000 0.000 3/36000 30.0 135.307 135.307 138.460 0.000 0.000 0.000 3/36000 40.0 75.811 75.811 79.063 0.000 0.000 0.000 3/36000 50.0 49.019 49.019 51.914 0.000 0.000 0.000 3/36000 60.0 34.615 34.615 36.982 0.000 0.000 0.000 3/36000 70.0 25.935 25.935 27.842 0.000 0.000 0.000 3/36000 80.0 20.287 20.287 21.839 0.000 0.000 0.000 3/36000 90.0 16.406 16.406 17.693 0.000 0.000 0.000 3/36000 100.0 13.628 13.628 14.716 0.000 0.000 0.000 3/36000 110.0 11.574 11.574 12.509 0.000 0.000 0.000 3/36000 120.0 10.012 10.012 10.828 0.000 0.000 0.000 3/36000 130.0 8.797 8.797 9.519 0.000 0.000 0.000 3/36000 140.0 7.832 7.832 8.477 0.000 0.000 0.000 3/36000 150.0 7.052 7.052 7.633 0.000 0.000 0.000 3/36000 160.0 6.410 6.410 6.939 0.000 0.000 0.000 3/36000 170.0 5.875 5.875 6.359 0.000 0.000 0.000 3/36000 180.0 5.423 5.423 5.868 0.000 0.000 0.000 3/36000 190.0 5.036 5.036 5.449 0.000 0.000 0.000 3/36000 200.0 4.702 4.702 5.086 0.000 0.000 0.000 3/36000 210.0 4.411 4.411 4.770 0.000 0.000 0.000 3/36000 220.0 4.155 4.155 4.492 0.000 0.000 0.000 3/36000 230.0 3.928 3.928 4.245 0.000 0.000 0.000 3/36000 240.0 3.726 3.726 4.025 0.000 0.000 0.000 3/36000 250.0 3.544 3.544 3.828 0.000 0.000 0.000 3/36000 260.0 3.380 3.380 3.650 0.000 0.000 0.000 3/36000 270.0 3.231 3.231 3.488 0.000 0.000 0.000 3/36000 280.0 3.095 3.095 3.340 0.000 0.000 0.000 3/36000 290.0 2.971 2.971 3.205 0.000 0.000 0.000 3/36000 300.0 2.857 2.857 3.081 0.000 0.000 0.000 3/36000 310.0 2.751 2.751 2.967 0.000 0.000 0.000 3/36000 320.0 2.654 2.654 2.861 0.000 0.000 0.000 3/36000 330.0 2.563 2.563 2.762 0.000 0.000 0.000 3/36000 340.0 2.479 2.479 2.671 0.000 0.000 0.000 3/36000 350.0 2.400 2.400 2.585 0.000 0.000 0.000 3/36000 360.0 2.326 2.326 2.505 0.000 0.000 0.000 3/36000 370.0 2.257 2.257 2.430 0.000 0.000 0.000 3/36000 380.0 2.192 2.192 2.360 0.000 0.000 0.000 3/36000 390.0 2.131 2.131 2.294 0.000 0.000 0.000 3/36000 400.0 2.073 2.073 2.231 0.000 0.000 0.000 3/36000 410.0 2.019 2.019 2.172 0.000 0.000 0.000 3/36000 420.0 1.967 1.967 2.116 0.000 0.000 0.000 3/36000 430.0 1.918 1.918 2.063 0.000 0.000 0.000 3/36000 440.0 1.871 1.871 2.012 0.000 0.000 0.000 3/36000 450.0 1.827 1.827 1.964 0.000 0.000 0.000 3/36000 460.0 1.785 1.785 1.919 0.000 0.000 0.000 3/36000 470.0 1.744 1.744 1.875 0.000 0.000 0.000 3/36000 480.0 1.706 1.706 1.834 0.000 0.000 0.000 3/36000 490.0 1.669 1.669 1.794 0.000 0.000 0.000 3/36000 500.0 1.634 1.634 1.756 0.000 0.000 0.000 3/36000 510.0 1.600 1.600 1.720 0.000 0.000 0.000 3/36000 520.0 1.568 1.568 1.685 0.000 0.000 0.000 3/36000 530.0 1.537 1.537 1.651 0.000 0.000 0.000 3/36000 540.0 1.507 1.507 1.619 0.000 0.000 0.000 3/36000 550.0 1.479 1.479 1.588 0.000 0.000 0.000 3/36000 560.0 1.451 1.451 1.559 0.000 0.000 0.000 3/36000 570.0 1.425 1.425 1.530 0.000 0.000 0.000 3/36000 580.0 1.399 1.399 1.503 0.000 0.000 0.000 3/36000 590.0 1.375 1.375 1.476 0.000 0.000 0.000 3/36000 600.0 1.351 1.351 1.450 0.000 0.000 0.000 3/36000 610.0 1.328 1.328 1.426 0.000 0.000 0.000 3/36000 620.0 1.306 1.306 1.402 0.000 0.000 0.000 3/36000 630.0 1.285 1.285 1.379 0.000 0.000 0.000 3/36000 640.0 1.264 1.264 1.357 0.000 0.000 0.000 3/36000 650.0 1.244 1.244 1.335 0.000 0.000 0.000 3/36000 660.0 1.224 1.224 1.314 0.000 0.000 0.000 3/36000 670.0 1.206 1.206 1.294 0.000 0.000 0.000 3/36000 680.0 1.187 1.187 1.274 0.000 0.000 0.000 3/36000 690.0 1.170 1.170 1.255 0.000 0.000 0.000 3/36000 700.0 1.153 1.153 1.237 0.000 0.000 0.000 3/36000 710.0 1.136 1.136 1.219 0.000 0.000 0.000 3/36000 720.0 1.120 1.120 1.201 0.000 0.000 0.000 3/36000 730.0 1.104 1.104 1.185 0.000 0.000 0.000 3/36000 740.0 1.089 1.089 1.168 0.000 0.000 0.000 3/36000 750.0 1.074 1.074 1.152 0.000 0.000 0.000 3/36000 760.0 1.060 1.060 1.137 0.000 0.000 0.000 3/36000 770.0 1.046 1.046 1.122 0.000 0.000 0.000 3/36000 780.0 1.032 1.032 1.107 0.000 0.000 0.000 3/36000 790.0 1.019 1.019 1.092 0.000 0.000 0.000 3/36000 800.0 1.006 1.006 1.079 0.000 0.000 0.000 3/36000 810.0 0.993 0.993 1.065 0.000 0.000 0.000 3/36000 820.0 0.981 0.981 1.052 0.000 0.000 0.000 3/36000 830.0 0.969 0.969 1.039 0.000 0.000 0.000 3/36000 840.0 0.957 0.957 1.026 0.000 0.000 0.000 3/36000 850.0 0.945 0.945 1.014 0.000 0.000 0.000 3/36000 860.0 0.934 0.934 1.002 0.000 0.000 0.000 3/36000 870.0 0.923 0.923 0.990 0.000 0.000 0.000 3/36000 880.0 0.913 0.913 0.979 0.000 0.000 0.000 3/36000 890.0 0.902 0.902 0.967 0.000 0.000 0.000 3/36000 900.0 0.892 0.892 0.957 0.000 0.000 0.000 3/36000 910.0 0.882 0.882 0.946 0.000 0.000 0.000 3/36000 920.0 0.872 0.872 0.935 0.000 0.000 0.000 3/36000 930.0 0.863 0.863 0.925 0.000 0.000 0.000 3/36000 940.0 0.854 0.854 0.915 0.000 0.000 0.000 3/36000 950.0 0.845 0.845 0.905 0.000 0.000 0.000 3/36000 960.0 0.836 0.836 0.896 0.000 0.000 0.000 3/36000 970.0 0.827 0.827 0.886 0.000 0.000 0.000 3/36000 980.0 0.818 0.818 0.877 0.000 0.000 0.000 3/36000 990.0 0.810 0.810 0.868 0.000 0.000 0.000 3/36000 1000.0 0.802 0.802 0.859 0.000 0.000 0.000 3/36000 Thermal conductivity related properties were written into "kappa-m51020.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:10:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|