----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:20:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.561185300006329 0.000000000000000 0.000000000000000 b 0.000000000000000 3.767279040000000 0.000000000000000 c -1.390399367086315 0.000000000000000 6.895415907663303 Atomic positions (fractional): *1 Ca 0.26858973882362 0.25000000000000 0.57151445375699 40.078 2 Ca 0.73141026117638 0.75000000000000 0.42848554624300 40.078 *3 Al 0.15382283176302 0.25000000000000 0.12968891789012 26.982 4 Al 0.84617716823698 0.75000000000000 0.87031108210988 26.982 *5 Al 0.65599759151184 0.25000000000000 0.11329292819052 26.982 6 Al 0.34400240848816 0.75000000000000 0.88670707180948 26.982 *7 O 0.05673937846775 0.75000000000000 0.69098305647017 15.999 *8 O 0.14207974223981 0.75000000000000 0.07240284277400 15.999 *9 O 0.54159705451181 0.75000000000000 0.69473525722800 15.999 *10 O 0.35631546446133 0.25000000000000 0.92460706760110 15.999 11 O 0.45840294548819 0.25000000000000 0.30526474277200 15.999 12 O 0.85792025776019 0.25000000000000 0.92759715722600 15.999 13 O 0.64368453553867 0.75000000000000 0.07539293239890 15.999 14 O 0.94326062153225 0.25000000000000 0.30901694352983 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.561185300006329 0.000000000000000 0.000000000000000 b 0.000000000000000 3.767279040000000 0.000000000000000 c -1.390399367086315 0.000000000000000 6.895415907663303 Atomic positions (fractional): *1 Ca 0.26858973882362 0.25000000000000 0.57151445375699 40.078 > 1 2 Ca 0.73141026117638 0.75000000000000 0.42848554624300 40.078 > 2 *3 Al 0.15382283176302 0.25000000000000 0.12968891789012 26.982 > 3 4 Al 0.84617716823698 0.75000000000000 0.87031108210988 26.982 > 4 *5 Al 0.65599759151184 0.25000000000000 0.11329292819052 26.982 > 5 6 Al 0.34400240848816 0.75000000000000 0.88670707180948 26.982 > 6 *7 O 0.05673937846775 0.75000000000000 0.69098305647017 15.999 > 7 *8 O 0.14207974223981 0.75000000000000 0.07240284277400 15.999 > 8 *9 O 0.54159705451181 0.75000000000000 0.69473525722800 15.999 > 9 *10 O 0.35631546446133 0.25000000000000 0.92460706760110 15.999 > 10 11 O 0.45840294548819 0.25000000000000 0.30526474277200 15.999 > 11 12 O 0.85792025776019 0.25000000000000 0.92759715722600 15.999 > 12 13 O 0.64368453553867 0.75000000000000 0.07539293239890 15.999 > 13 14 O 0.94326062153225 0.25000000000000 0.30901694352983 15.999 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.122370600012658 0.000000000000000 0.000000000000000 b 0.000000000000000 7.534558080000000 0.000000000000000 c -2.780798734172630 0.000000000000000 13.790831815326605 Atomic positions (fractional): *1 Ca 0.13429486941181 0.12500000000000 0.28575722687850 40.078 > 1 2 Ca 0.63429486941181 0.12500000000000 0.28575722687850 40.078 > 1 3 Ca 0.13429486941181 0.62500000000000 0.28575722687850 40.078 > 1 4 Ca 0.63429486941181 0.62500000000000 0.28575722687850 40.078 > 1 5 Ca 0.13429486941181 0.12500000000000 0.78575722687850 40.078 > 1 6 Ca 0.63429486941181 0.12500000000000 0.78575722687850 40.078 > 1 7 Ca 0.13429486941181 0.62500000000000 0.78575722687850 40.078 > 1 8 Ca 0.63429486941181 0.62500000000000 0.78575722687850 40.078 > 1 9 Ca 0.36570513058819 0.37500000000000 0.21424277312150 40.078 > 2 10 Ca 0.86570513058819 0.37500000000000 0.21424277312150 40.078 > 2 11 Ca 0.36570513058819 0.87500000000000 0.21424277312150 40.078 > 2 12 Ca 0.86570513058819 0.87500000000000 0.21424277312150 40.078 > 2 13 Ca 0.36570513058819 0.37500000000000 0.71424277312150 40.078 > 2 14 Ca 0.86570513058819 0.37500000000000 0.71424277312150 40.078 > 2 15 Ca 0.36570513058819 0.87500000000000 0.71424277312150 40.078 > 2 16 Ca 0.86570513058819 0.87500000000000 0.71424277312150 40.078 > 2 *17 Al 0.07691141588151 0.12500000000000 0.06484445894506 26.982 > 3 18 Al 0.57691141588151 0.12500000000000 0.06484445894506 26.982 > 3 19 Al 0.07691141588151 0.62500000000000 0.06484445894506 26.982 > 3 20 Al 0.57691141588151 0.62500000000000 0.06484445894506 26.982 > 3 21 Al 0.07691141588151 0.12500000000000 0.56484445894506 26.982 > 3 22 Al 0.57691141588151 0.12500000000000 0.56484445894506 26.982 > 3 23 Al 0.07691141588151 0.62500000000000 0.56484445894506 26.982 > 3 24 Al 0.57691141588151 0.62500000000000 0.56484445894506 26.982 > 3 25 Al 0.42308858411849 0.37500000000000 0.43515554105494 26.982 > 4 26 Al 0.92308858411849 0.37500000000000 0.43515554105494 26.982 > 4 27 Al 0.42308858411849 0.87500000000000 0.43515554105494 26.982 > 4 28 Al 0.92308858411849 0.87500000000000 0.43515554105494 26.982 > 4 29 Al 0.42308858411849 0.37500000000000 0.93515554105494 26.982 > 4 30 Al 0.92308858411849 0.37500000000000 0.93515554105494 26.982 > 4 31 Al 0.42308858411849 0.87500000000000 0.93515554105494 26.982 > 4 32 Al 0.92308858411849 0.87500000000000 0.93515554105494 26.982 > 4 *33 Al 0.32799879575592 0.12500000000000 0.05664646409526 26.982 > 5 34 Al 0.82799879575592 0.12500000000000 0.05664646409526 26.982 > 5 35 Al 0.32799879575592 0.62500000000000 0.05664646409526 26.982 > 5 36 Al 0.82799879575592 0.62500000000000 0.05664646409526 26.982 > 5 37 Al 0.32799879575592 0.12500000000000 0.55664646409526 26.982 > 5 38 Al 0.82799879575592 0.12500000000000 0.55664646409526 26.982 > 5 39 Al 0.32799879575592 0.62500000000000 0.55664646409526 26.982 > 5 40 Al 0.82799879575592 0.62500000000000 0.55664646409526 26.982 > 5 41 Al 0.17200120424408 0.37500000000000 0.44335353590474 26.982 > 6 42 Al 0.67200120424408 0.37500000000000 0.44335353590474 26.982 > 6 43 Al 0.17200120424408 0.87500000000000 0.44335353590474 26.982 > 6 44 Al 0.67200120424408 0.87500000000000 0.44335353590474 26.982 > 6 45 Al 0.17200120424408 0.37500000000000 0.94335353590474 26.982 > 6 46 Al 0.67200120424408 0.37500000000000 0.94335353590474 26.982 > 6 47 Al 0.17200120424408 0.87500000000000 0.94335353590474 26.982 > 6 48 Al 0.67200120424408 0.87500000000000 0.94335353590474 26.982 > 6 *49 O 0.02836968923387 0.37500000000000 0.34549152823509 15.999 > 7 50 O 0.52836968923387 0.37500000000000 0.34549152823509 15.999 > 7 51 O 0.02836968923387 0.87500000000000 0.34549152823509 15.999 > 7 52 O 0.52836968923387 0.87500000000000 0.34549152823509 15.999 > 7 53 O 0.02836968923387 0.37500000000000 0.84549152823509 15.999 > 7 54 O 0.52836968923387 0.37500000000000 0.84549152823509 15.999 > 7 55 O 0.02836968923387 0.87500000000000 0.84549152823509 15.999 > 7 56 O 0.52836968923387 0.87500000000000 0.84549152823509 15.999 > 7 *57 O 0.07103987111991 0.37500000000000 0.03620142138700 15.999 > 8 58 O 0.57103987111991 0.37500000000000 0.03620142138700 15.999 > 8 59 O 0.07103987111991 0.87500000000000 0.03620142138700 15.999 > 8 60 O 0.57103987111991 0.87500000000000 0.03620142138700 15.999 > 8 61 O 0.07103987111991 0.37500000000000 0.53620142138700 15.999 > 8 62 O 0.57103987111991 0.37500000000000 0.53620142138700 15.999 > 8 63 O 0.07103987111991 0.87500000000000 0.53620142138700 15.999 > 8 64 O 0.57103987111991 0.87500000000000 0.53620142138700 15.999 > 8 *65 O 0.27079852725591 0.37500000000000 0.34736762861400 15.999 > 9 66 O 0.77079852725591 0.37500000000000 0.34736762861400 15.999 > 9 67 O 0.27079852725591 0.87500000000000 0.34736762861400 15.999 > 9 68 O 0.77079852725591 0.87500000000000 0.34736762861400 15.999 > 9 69 O 0.27079852725591 0.37500000000000 0.84736762861400 15.999 > 9 70 O 0.77079852725591 0.37500000000000 0.84736762861400 15.999 > 9 71 O 0.27079852725591 0.87500000000000 0.84736762861400 15.999 > 9 72 O 0.77079852725591 0.87500000000000 0.84736762861400 15.999 > 9 *73 O 0.17815773223067 0.12500000000000 0.46230353380055 15.999 > 10 74 O 0.67815773223067 0.12500000000000 0.46230353380055 15.999 > 10 75 O 0.17815773223067 0.62500000000000 0.46230353380055 15.999 > 10 76 O 0.67815773223067 0.62500000000000 0.46230353380055 15.999 > 10 77 O 0.17815773223067 0.12500000000000 0.96230353380055 15.999 > 10 78 O 0.67815773223067 0.12500000000000 0.96230353380055 15.999 > 10 79 O 0.17815773223067 0.62500000000000 0.96230353380055 15.999 > 10 80 O 0.67815773223067 0.62500000000000 0.96230353380055 15.999 > 10 81 O 0.22920147274409 0.12500000000000 0.15263237138600 15.999 > 11 82 O 0.72920147274409 0.12500000000000 0.15263237138600 15.999 > 11 83 O 0.22920147274409 0.62500000000000 0.15263237138600 15.999 > 11 84 O 0.72920147274409 0.62500000000000 0.15263237138600 15.999 > 11 85 O 0.22920147274409 0.12500000000000 0.65263237138600 15.999 > 11 86 O 0.72920147274409 0.12500000000000 0.65263237138600 15.999 > 11 87 O 0.22920147274409 0.62500000000000 0.65263237138600 15.999 > 11 88 O 0.72920147274409 0.62500000000000 0.65263237138600 15.999 > 11 89 O 0.42896012888009 0.12500000000000 0.46379857861300 15.999 > 12 90 O 0.92896012888009 0.12500000000000 0.46379857861300 15.999 > 12 91 O 0.42896012888009 0.62500000000000 0.46379857861300 15.999 > 12 92 O 0.92896012888009 0.62500000000000 0.46379857861300 15.999 > 12 93 O 0.42896012888009 0.12500000000000 0.96379857861300 15.999 > 12 94 O 0.92896012888009 0.12500000000000 0.96379857861300 15.999 > 12 95 O 0.42896012888009 0.62500000000000 0.96379857861300 15.999 > 12 96 O 0.92896012888009 0.62500000000000 0.96379857861300 15.999 > 12 97 O 0.32184226776933 0.37500000000000 0.03769646619945 15.999 > 13 98 O 0.82184226776933 0.37500000000000 0.03769646619945 15.999 > 13 99 O 0.32184226776933 0.87500000000000 0.03769646619945 15.999 > 13 100 O 0.82184226776933 0.87500000000000 0.03769646619945 15.999 > 13 101 O 0.32184226776933 0.37500000000000 0.53769646619945 15.999 > 13 102 O 0.82184226776933 0.37500000000000 0.53769646619945 15.999 > 13 103 O 0.32184226776933 0.87500000000000 0.53769646619945 15.999 > 13 104 O 0.82184226776933 0.87500000000000 0.53769646619945 15.999 > 13 105 O 0.47163031076613 0.12500000000000 0.15450847176491 15.999 > 14 106 O 0.97163031076613 0.12500000000000 0.15450847176491 15.999 > 14 107 O 0.47163031076613 0.62500000000000 0.15450847176491 15.999 > 14 108 O 0.97163031076613 0.62500000000000 0.15450847176491 15.999 > 14 109 O 0.47163031076613 0.12500000000000 0.65450847176491 15.999 > 14 110 O 0.97163031076613 0.12500000000000 0.65450847176491 15.999 > 14 111 O 0.47163031076613 0.62500000000000 0.65450847176491 15.999 > 14 112 O 0.97163031076613 0.62500000000000 0.65450847176491 15.999 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2917869 0.0000000 0.0000179 0.0000000 3.2716833 0.0000000 0.0000174 0.0000000 3.3549247 -------------------------- Born effective charges -------------------------- 1 Ca 2.2476619 0.0000000 0.0066909 0.0000000 2.2102274 0.0000000 0.0085774 0.0000000 2.6068710 2 Ca 2.2476619 0.0000000 0.0066909 0.0000000 2.2102274 0.0000000 0.0085774 0.0000000 2.6068710 3 Al 3.0732902 0.0000000 -0.0118076 0.0000000 2.8191841 0.0000000 -0.0634158 0.0000000 2.7153540 4 Al 3.0732902 0.0000000 -0.0118076 0.0000000 2.8191841 0.0000000 -0.0634158 0.0000000 2.7153540 5 Al 2.9092544 0.0000000 0.0111499 0.0000000 2.8803587 0.0000000 0.0634084 0.0000000 2.7015286 6 Al 2.9092544 0.0000000 0.0111499 0.0000000 2.8803587 0.0000000 0.0634084 0.0000000 2.7015286 7 O -2.2576767 0.0000000 -0.1139730 0.0000000 -1.6333014 0.0000000 -0.0888068 0.0000000 -2.1561228 8 O -1.8898358 0.0000000 -0.0099372 0.0000000 -2.3062264 0.0000000 0.0319731 0.0000000 -1.6860814 9 O -2.2680934 0.0000000 0.1096142 0.0000000 -1.6421569 0.0000000 0.0842428 0.0000000 -2.1762082 10 O -1.8146006 0.0000000 0.0082629 0.0000000 -2.3280855 0.0000000 -0.0359790 0.0000000 -2.0053412 11 O -2.2680934 0.0000000 0.1096142 0.0000000 -1.6421569 0.0000000 0.0842428 0.0000000 -2.1762082 12 O -1.8898358 0.0000000 -0.0099372 0.0000000 -2.3062264 0.0000000 0.0319731 0.0000000 -1.6860814 13 O -1.8146006 0.0000000 0.0082629 0.0000000 -2.3280855 0.0000000 -0.0359790 0.0000000 -2.0053412 14 O -2.2576767 0.0000000 -0.1139730 0.0000000 -1.6333014 0.0000000 -0.0888068 0.0000000 -2.1561228 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 7476/7476 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1988 Number of blocks in projector: 1988 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 588 Use submatrix version of eigh solver. (1) Block: 588 / 588 (2) Block: 250 / 588 (2) 237 eigenvectors found. (2) Block: 500 / 588 (2) 237 eigenvectors found. (2) Block: 588 / 588 (2) 79 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1988, 1954), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (336, 329), data: True |-- (336, 329), data: True |-- (336, 329), data: True |-- (588, 575), data: False |-- (588, 575), data: False |-- (588, 22), data: (588, 35) @ (35, 22) |-- (88, 79), data: True |-- (250, 237), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.302 Solver_block: 200 / 480 - Time: 3.284 Solver_block: 300 / 480 - Time: 3.277 Solver_block: 400 / 480 - Time: 3.284 Solver_block: 480 / 480 - Time: 2.654 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.853 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 7476/7476 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1988 Number of blocks in projector: 1988 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 588 Use submatrix version of eigh solver. (1) Block: 588 / 588 (2) Block: 250 / 588 (2) 237 eigenvectors found. (2) Block: 500 / 588 (2) 237 eigenvectors found. (2) Block: 588 / 588 (2) 79 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1988, 1954), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (336, 329), data: True |-- (336, 329), data: True |-- (336, 329), data: True |-- (588, 575), data: False |-- (588, 575), data: False |-- (588, 22), data: (588, 35) @ (35, 22) |-- (88, 79), data: True |-- (250, 237), data: True |-- (250, 237), 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 14:20:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:20:40]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.561185300006329 0.000000000000000 0.000000000000000 b 0.000000000000000 3.767279040000000 0.000000000000000 c -1.390399367086315 0.000000000000000 6.895415907663303 Atomic positions (fractional): 1 Ca 0.26858973882362 0.25000000000000 0.57151445375699 40.078 2 Ca 0.73141026117638 0.75000000000000 0.42848554624300 40.078 3 Al 0.15382283176302 0.25000000000000 0.12968891789012 26.982 4 Al 0.84617716823698 0.75000000000000 0.87031108210988 26.982 5 Al 0.65599759151184 0.25000000000000 0.11329292819052 26.982 6 Al 0.34400240848816 0.75000000000000 0.88670707180948 26.982 7 O 0.05673937846775 0.75000000000000 0.69098305647017 15.999 8 O 0.14207974223981 0.75000000000000 0.07240284277400 15.999 9 O 0.54159705451181 0.75000000000000 0.69473525722800 15.999 10 O 0.35631546446133 0.25000000000000 0.92460706760110 15.999 11 O 0.45840294548819 0.25000000000000 0.30526474277200 15.999 12 O 0.85792025776019 0.25000000000000 0.92759715722600 15.999 13 O 0.64368453553867 0.75000000000000 0.07539293239890 15.999 14 O 0.94326062153225 0.25000000000000 0.30901694352983 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.122370600012658 0.000000000000000 0.000000000000000 b 0.000000000000000 7.534558080000000 0.000000000000000 c -2.780798734172630 0.000000000000000 13.790831815326605 Atomic positions (fractional): 1 Ca 0.13429486941181 0.12500000000000 0.28575722687850 40.078 > 1 2 Ca 0.63429486941181 0.12500000000000 0.28575722687850 40.078 > 1 3 Ca 0.13429486941181 0.62500000000000 0.28575722687850 40.078 > 1 4 Ca 0.63429486941181 0.62500000000000 0.28575722687850 40.078 > 1 5 Ca 0.13429486941181 0.12500000000000 0.78575722687850 40.078 > 1 6 Ca 0.63429486941181 0.12500000000000 0.78575722687850 40.078 > 1 7 Ca 0.13429486941181 0.62500000000000 0.78575722687850 40.078 > 1 8 Ca 0.63429486941181 0.62500000000000 0.78575722687850 40.078 > 1 9 Ca 0.36570513058819 0.37500000000000 0.21424277312150 40.078 > 9 10 Ca 0.86570513058819 0.37500000000000 0.21424277312150 40.078 > 9 11 Ca 0.36570513058819 0.87500000000000 0.21424277312150 40.078 > 9 12 Ca 0.86570513058819 0.87500000000000 0.21424277312150 40.078 > 9 13 Ca 0.36570513058819 0.37500000000000 0.71424277312150 40.078 > 9 14 Ca 0.86570513058819 0.37500000000000 0.71424277312150 40.078 > 9 15 Ca 0.36570513058819 0.87500000000000 0.71424277312150 40.078 > 9 16 Ca 0.86570513058819 0.87500000000000 0.71424277312150 40.078 > 9 17 Al 0.07691141588151 0.12500000000000 0.06484445894506 26.982 > 17 18 Al 0.57691141588151 0.12500000000000 0.06484445894506 26.982 > 17 19 Al 0.07691141588151 0.62500000000000 0.06484445894506 26.982 > 17 20 Al 0.57691141588151 0.62500000000000 0.06484445894506 26.982 > 17 21 Al 0.07691141588151 0.12500000000000 0.56484445894506 26.982 > 17 22 Al 0.57691141588151 0.12500000000000 0.56484445894506 26.982 > 17 23 Al 0.07691141588151 0.62500000000000 0.56484445894506 26.982 > 17 24 Al 0.57691141588151 0.62500000000000 0.56484445894506 26.982 > 17 25 Al 0.42308858411849 0.37500000000000 0.43515554105494 26.982 > 25 26 Al 0.92308858411849 0.37500000000000 0.43515554105494 26.982 > 25 27 Al 0.42308858411849 0.87500000000000 0.43515554105494 26.982 > 25 28 Al 0.92308858411849 0.87500000000000 0.43515554105494 26.982 > 25 29 Al 0.42308858411849 0.37500000000000 0.93515554105494 26.982 > 25 30 Al 0.92308858411849 0.37500000000000 0.93515554105494 26.982 > 25 31 Al 0.42308858411849 0.87500000000000 0.93515554105494 26.982 > 25 32 Al 0.92308858411849 0.87500000000000 0.93515554105494 26.982 > 25 33 Al 0.32799879575592 0.12500000000000 0.05664646409526 26.982 > 33 34 Al 0.82799879575592 0.12500000000000 0.05664646409526 26.982 > 33 35 Al 0.32799879575592 0.62500000000000 0.05664646409526 26.982 > 33 36 Al 0.82799879575592 0.62500000000000 0.05664646409526 26.982 > 33 37 Al 0.32799879575592 0.12500000000000 0.55664646409526 26.982 > 33 38 Al 0.82799879575592 0.12500000000000 0.55664646409526 26.982 > 33 39 Al 0.32799879575592 0.62500000000000 0.55664646409526 26.982 > 33 40 Al 0.82799879575592 0.62500000000000 0.55664646409526 26.982 > 33 41 Al 0.17200120424408 0.37500000000000 0.44335353590474 26.982 > 41 42 Al 0.67200120424408 0.37500000000000 0.44335353590474 26.982 > 41 43 Al 0.17200120424408 0.87500000000000 0.44335353590474 26.982 > 41 44 Al 0.67200120424408 0.87500000000000 0.44335353590474 26.982 > 41 45 Al 0.17200120424408 0.37500000000000 0.94335353590474 26.982 > 41 46 Al 0.67200120424408 0.37500000000000 0.94335353590474 26.982 > 41 47 Al 0.17200120424408 0.87500000000000 0.94335353590474 26.982 > 41 48 Al 0.67200120424408 0.87500000000000 0.94335353590474 26.982 > 41 49 O 0.02836968923387 0.37500000000000 0.34549152823509 15.999 > 49 50 O 0.52836968923387 0.37500000000000 0.34549152823509 15.999 > 49 51 O 0.02836968923387 0.87500000000000 0.34549152823509 15.999 > 49 52 O 0.52836968923387 0.87500000000000 0.34549152823509 15.999 > 49 53 O 0.02836968923387 0.37500000000000 0.84549152823509 15.999 > 49 54 O 0.52836968923387 0.37500000000000 0.84549152823509 15.999 > 49 55 O 0.02836968923387 0.87500000000000 0.84549152823509 15.999 > 49 56 O 0.52836968923387 0.87500000000000 0.84549152823509 15.999 > 49 57 O 0.07103987111991 0.37500000000000 0.03620142138700 15.999 > 57 58 O 0.57103987111991 0.37500000000000 0.03620142138700 15.999 > 57 59 O 0.07103987111991 0.87500000000000 0.03620142138700 15.999 > 57 60 O 0.57103987111991 0.87500000000000 0.03620142138700 15.999 > 57 61 O 0.07103987111991 0.37500000000000 0.53620142138700 15.999 > 57 62 O 0.57103987111991 0.37500000000000 0.53620142138700 15.999 > 57 63 O 0.07103987111991 0.87500000000000 0.53620142138700 15.999 > 57 64 O 0.57103987111991 0.87500000000000 0.53620142138700 15.999 > 57 65 O 0.27079852725591 0.37500000000000 0.34736762861400 15.999 > 65 66 O 0.77079852725591 0.37500000000000 0.34736762861400 15.999 > 65 67 O 0.27079852725591 0.87500000000000 0.34736762861400 15.999 > 65 68 O 0.77079852725591 0.87500000000000 0.34736762861400 15.999 > 65 69 O 0.27079852725591 0.37500000000000 0.84736762861400 15.999 > 65 70 O 0.77079852725591 0.37500000000000 0.84736762861400 15.999 > 65 71 O 0.27079852725591 0.87500000000000 0.84736762861400 15.999 > 65 72 O 0.77079852725591 0.87500000000000 0.84736762861400 15.999 > 65 73 O 0.17815773223067 0.12500000000000 0.46230353380055 15.999 > 73 74 O 0.67815773223067 0.12500000000000 0.46230353380055 15.999 > 73 75 O 0.17815773223067 0.62500000000000 0.46230353380055 15.999 > 73 76 O 0.67815773223067 0.62500000000000 0.46230353380055 15.999 > 73 77 O 0.17815773223067 0.12500000000000 0.96230353380055 15.999 > 73 78 O 0.67815773223067 0.12500000000000 0.96230353380055 15.999 > 73 79 O 0.17815773223067 0.62500000000000 0.96230353380055 15.999 > 73 80 O 0.67815773223067 0.62500000000000 0.96230353380055 15.999 > 73 81 O 0.22920147274409 0.12500000000000 0.15263237138600 15.999 > 81 82 O 0.72920147274409 0.12500000000000 0.15263237138600 15.999 > 81 83 O 0.22920147274409 0.62500000000000 0.15263237138600 15.999 > 81 84 O 0.72920147274409 0.62500000000000 0.15263237138600 15.999 > 81 85 O 0.22920147274409 0.12500000000000 0.65263237138600 15.999 > 81 86 O 0.72920147274409 0.12500000000000 0.65263237138600 15.999 > 81 87 O 0.22920147274409 0.62500000000000 0.65263237138600 15.999 > 81 88 O 0.72920147274409 0.62500000000000 0.65263237138600 15.999 > 81 89 O 0.42896012888009 0.12500000000000 0.46379857861300 15.999 > 89 90 O 0.92896012888009 0.12500000000000 0.46379857861300 15.999 > 89 91 O 0.42896012888009 0.62500000000000 0.46379857861300 15.999 > 89 92 O 0.92896012888009 0.62500000000000 0.46379857861300 15.999 > 89 93 O 0.42896012888009 0.12500000000000 0.96379857861300 15.999 > 89 94 O 0.92896012888009 0.12500000000000 0.96379857861300 15.999 > 89 95 O 0.42896012888009 0.62500000000000 0.96379857861300 15.999 > 89 96 O 0.92896012888009 0.62500000000000 0.96379857861300 15.999 > 89 97 O 0.32184226776933 0.37500000000000 0.03769646619945 15.999 > 97 98 O 0.82184226776933 0.37500000000000 0.03769646619945 15.999 > 97 99 O 0.32184226776933 0.87500000000000 0.03769646619945 15.999 > 97 100 O 0.82184226776933 0.87500000000000 0.03769646619945 15.999 > 97 101 O 0.32184226776933 0.37500000000000 0.53769646619945 15.999 > 97 102 O 0.82184226776933 0.37500000000000 0.53769646619945 15.999 > 97 103 O 0.32184226776933 0.87500000000000 0.53769646619945 15.999 > 97 104 O 0.82184226776933 0.87500000000000 0.53769646619945 15.999 > 97 105 O 0.47163031076613 0.12500000000000 0.15450847176491 15.999 > 105 106 O 0.97163031076613 0.12500000000000 0.15450847176491 15.999 > 105 107 O 0.47163031076613 0.62500000000000 0.15450847176491 15.999 > 105 108 O 0.97163031076613 0.62500000000000 0.15450847176491 15.999 > 105 109 O 0.47163031076613 0.12500000000000 0.65450847176491 15.999 > 105 110 O 0.97163031076613 0.12500000000000 0.65450847176491 15.999 > 105 111 O 0.47163031076613 0.62500000000000 0.65450847176491 15.999 > 105 112 O 0.97163031076613 0.62500000000000 0.65450847176491 15.999 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2917869 0.0000000 0.0000179 0.0000000 3.2716833 0.0000000 0.0000174 0.0000000 3.3549247 -------------------------- Born effective charges -------------------------- 1 Ca 2.2476619 0.0000000 0.0066909 0.0000000 2.2102274 0.0000000 0.0085774 0.0000000 2.6068710 2 Ca 2.2476619 0.0000000 0.0066909 0.0000000 2.2102274 0.0000000 0.0085774 0.0000000 2.6068710 3 Al 3.0732902 0.0000000 -0.0118076 0.0000000 2.8191841 0.0000000 -0.0634158 0.0000000 2.7153540 4 Al 3.0732902 0.0000000 -0.0118076 0.0000000 2.8191841 0.0000000 -0.0634158 0.0000000 2.7153540 5 Al 2.9092544 0.0000000 0.0111499 0.0000000 2.8803587 0.0000000 0.0634084 0.0000000 2.7015286 6 Al 2.9092544 0.0000000 0.0111499 0.0000000 2.8803587 0.0000000 0.0634084 0.0000000 2.7015286 7 O -2.2576767 0.0000000 -0.1139730 0.0000000 -1.6333014 0.0000000 -0.0888068 0.0000000 -2.1561228 8 O -1.8898358 0.0000000 -0.0099372 0.0000000 -2.3062264 0.0000000 0.0319731 0.0000000 -1.6860814 9 O -2.2680934 0.0000000 0.1096142 0.0000000 -1.6421569 0.0000000 0.0842428 0.0000000 -2.1762082 10 O -1.8146006 0.0000000 0.0082629 0.0000000 -2.3280855 0.0000000 -0.0359790 0.0000000 -2.0053412 11 O -2.2680934 0.0000000 0.1096142 0.0000000 -1.6421569 0.0000000 0.0842428 0.0000000 -2.1762082 12 O -1.8898358 0.0000000 -0.0099372 0.0000000 -2.3062264 0.0000000 0.0319731 0.0000000 -1.6860814 13 O -1.8146006 0.0000000 0.0082629 0.0000000 -2.3280855 0.0000000 -0.0359790 0.0000000 -2.0053412 14 O -2.2576767 0.0000000 -0.1139730 0.0000000 -1.6333014 0.0000000 -0.0888068 0.0000000 -2.1561228 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 57, 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 65, 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000013 (xyy) -0.00000013 (xyy) -0.00000013 (xyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000005 (xz) -0.00000005 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:21:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:21:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.561185300006329 0.000000000000000 0.000000000000000 b 0.000000000000000 3.767279040000000 0.000000000000000 c -1.390399367086315 0.000000000000000 6.895415907663303 Atomic positions (fractional): 1 Ca 0.26858973882362 0.25000000000000 0.57151445375699 40.078 2 Ca 0.73141026117638 0.75000000000000 0.42848554624300 40.078 3 Al 0.15382283176302 0.25000000000000 0.12968891789012 26.982 4 Al 0.84617716823698 0.75000000000000 0.87031108210988 26.982 5 Al 0.65599759151184 0.25000000000000 0.11329292819052 26.982 6 Al 0.34400240848816 0.75000000000000 0.88670707180948 26.982 7 O 0.05673937846775 0.75000000000000 0.69098305647017 15.999 8 O 0.14207974223981 0.75000000000000 0.07240284277400 15.999 9 O 0.54159705451181 0.75000000000000 0.69473525722800 15.999 10 O 0.35631546446133 0.25000000000000 0.92460706760110 15.999 11 O 0.45840294548819 0.25000000000000 0.30526474277200 15.999 12 O 0.85792025776019 0.25000000000000 0.92759715722600 15.999 13 O 0.64368453553867 0.75000000000000 0.07539293239890 15.999 14 O 0.94326062153225 0.25000000000000 0.30901694352983 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.122370600012658 0.000000000000000 0.000000000000000 b 0.000000000000000 7.534558080000000 0.000000000000000 c -2.780798734172630 0.000000000000000 13.790831815326605 Atomic positions (fractional): 1 Ca 0.13429486941181 0.12500000000000 0.28575722687850 40.078 > 1 2 Ca 0.63429486941181 0.12500000000000 0.28575722687850 40.078 > 1 3 Ca 0.13429486941181 0.62500000000000 0.28575722687850 40.078 > 1 4 Ca 0.63429486941181 0.62500000000000 0.28575722687850 40.078 > 1 5 Ca 0.13429486941181 0.12500000000000 0.78575722687850 40.078 > 1 6 Ca 0.63429486941181 0.12500000000000 0.78575722687850 40.078 > 1 7 Ca 0.13429486941181 0.62500000000000 0.78575722687850 40.078 > 1 8 Ca 0.63429486941181 0.62500000000000 0.78575722687850 40.078 > 1 9 Ca 0.36570513058819 0.37500000000000 0.21424277312150 40.078 > 9 10 Ca 0.86570513058819 0.37500000000000 0.21424277312150 40.078 > 9 11 Ca 0.36570513058819 0.87500000000000 0.21424277312150 40.078 > 9 12 Ca 0.86570513058819 0.87500000000000 0.21424277312150 40.078 > 9 13 Ca 0.36570513058819 0.37500000000000 0.71424277312150 40.078 > 9 14 Ca 0.86570513058819 0.37500000000000 0.71424277312150 40.078 > 9 15 Ca 0.36570513058819 0.87500000000000 0.71424277312150 40.078 > 9 16 Ca 0.86570513058819 0.87500000000000 0.71424277312150 40.078 > 9 17 Al 0.07691141588151 0.12500000000000 0.06484445894506 26.982 > 17 18 Al 0.57691141588151 0.12500000000000 0.06484445894506 26.982 > 17 19 Al 0.07691141588151 0.62500000000000 0.06484445894506 26.982 > 17 20 Al 0.57691141588151 0.62500000000000 0.06484445894506 26.982 > 17 21 Al 0.07691141588151 0.12500000000000 0.56484445894506 26.982 > 17 22 Al 0.57691141588151 0.12500000000000 0.56484445894506 26.982 > 17 23 Al 0.07691141588151 0.62500000000000 0.56484445894506 26.982 > 17 24 Al 0.57691141588151 0.62500000000000 0.56484445894506 26.982 > 17 25 Al 0.42308858411849 0.37500000000000 0.43515554105494 26.982 > 25 26 Al 0.92308858411849 0.37500000000000 0.43515554105494 26.982 > 25 27 Al 0.42308858411849 0.87500000000000 0.43515554105494 26.982 > 25 28 Al 0.92308858411849 0.87500000000000 0.43515554105494 26.982 > 25 29 Al 0.42308858411849 0.37500000000000 0.93515554105494 26.982 > 25 30 Al 0.92308858411849 0.37500000000000 0.93515554105494 26.982 > 25 31 Al 0.42308858411849 0.87500000000000 0.93515554105494 26.982 > 25 32 Al 0.92308858411849 0.87500000000000 0.93515554105494 26.982 > 25 33 Al 0.32799879575592 0.12500000000000 0.05664646409526 26.982 > 33 34 Al 0.82799879575592 0.12500000000000 0.05664646409526 26.982 > 33 35 Al 0.32799879575592 0.62500000000000 0.05664646409526 26.982 > 33 36 Al 0.82799879575592 0.62500000000000 0.05664646409526 26.982 > 33 37 Al 0.32799879575592 0.12500000000000 0.55664646409526 26.982 > 33 38 Al 0.82799879575592 0.12500000000000 0.55664646409526 26.982 > 33 39 Al 0.32799879575592 0.62500000000000 0.55664646409526 26.982 > 33 40 Al 0.82799879575592 0.62500000000000 0.55664646409526 26.982 > 33 41 Al 0.17200120424408 0.37500000000000 0.44335353590474 26.982 > 41 42 Al 0.67200120424408 0.37500000000000 0.44335353590474 26.982 > 41 43 Al 0.17200120424408 0.87500000000000 0.44335353590474 26.982 > 41 44 Al 0.67200120424408 0.87500000000000 0.44335353590474 26.982 > 41 45 Al 0.17200120424408 0.37500000000000 0.94335353590474 26.982 > 41 46 Al 0.67200120424408 0.37500000000000 0.94335353590474 26.982 > 41 47 Al 0.17200120424408 0.87500000000000 0.94335353590474 26.982 > 41 48 Al 0.67200120424408 0.87500000000000 0.94335353590474 26.982 > 41 49 O 0.02836968923387 0.37500000000000 0.34549152823509 15.999 > 49 50 O 0.52836968923387 0.37500000000000 0.34549152823509 15.999 > 49 51 O 0.02836968923387 0.87500000000000 0.34549152823509 15.999 > 49 52 O 0.52836968923387 0.87500000000000 0.34549152823509 15.999 > 49 53 O 0.02836968923387 0.37500000000000 0.84549152823509 15.999 > 49 54 O 0.52836968923387 0.37500000000000 0.84549152823509 15.999 > 49 55 O 0.02836968923387 0.87500000000000 0.84549152823509 15.999 > 49 56 O 0.52836968923387 0.87500000000000 0.84549152823509 15.999 > 49 57 O 0.07103987111991 0.37500000000000 0.03620142138700 15.999 > 57 58 O 0.57103987111991 0.37500000000000 0.03620142138700 15.999 > 57 59 O 0.07103987111991 0.87500000000000 0.03620142138700 15.999 > 57 60 O 0.57103987111991 0.87500000000000 0.03620142138700 15.999 > 57 61 O 0.07103987111991 0.37500000000000 0.53620142138700 15.999 > 57 62 O 0.57103987111991 0.37500000000000 0.53620142138700 15.999 > 57 63 O 0.07103987111991 0.87500000000000 0.53620142138700 15.999 > 57 64 O 0.57103987111991 0.87500000000000 0.53620142138700 15.999 > 57 65 O 0.27079852725591 0.37500000000000 0.34736762861400 15.999 > 65 66 O 0.77079852725591 0.37500000000000 0.34736762861400 15.999 > 65 67 O 0.27079852725591 0.87500000000000 0.34736762861400 15.999 > 65 68 O 0.77079852725591 0.87500000000000 0.34736762861400 15.999 > 65 69 O 0.27079852725591 0.37500000000000 0.84736762861400 15.999 > 65 70 O 0.77079852725591 0.37500000000000 0.84736762861400 15.999 > 65 71 O 0.27079852725591 0.87500000000000 0.84736762861400 15.999 > 65 72 O 0.77079852725591 0.87500000000000 0.84736762861400 15.999 > 65 73 O 0.17815773223067 0.12500000000000 0.46230353380055 15.999 > 73 74 O 0.67815773223067 0.12500000000000 0.46230353380055 15.999 > 73 75 O 0.17815773223067 0.62500000000000 0.46230353380055 15.999 > 73 76 O 0.67815773223067 0.62500000000000 0.46230353380055 15.999 > 73 77 O 0.17815773223067 0.12500000000000 0.96230353380055 15.999 > 73 78 O 0.67815773223067 0.12500000000000 0.96230353380055 15.999 > 73 79 O 0.17815773223067 0.62500000000000 0.96230353380055 15.999 > 73 80 O 0.67815773223067 0.62500000000000 0.96230353380055 15.999 > 73 81 O 0.22920147274409 0.12500000000000 0.15263237138600 15.999 > 81 82 O 0.72920147274409 0.12500000000000 0.15263237138600 15.999 > 81 83 O 0.22920147274409 0.62500000000000 0.15263237138600 15.999 > 81 84 O 0.72920147274409 0.62500000000000 0.15263237138600 15.999 > 81 85 O 0.22920147274409 0.12500000000000 0.65263237138600 15.999 > 81 86 O 0.72920147274409 0.12500000000000 0.65263237138600 15.999 > 81 87 O 0.22920147274409 0.62500000000000 0.65263237138600 15.999 > 81 88 O 0.72920147274409 0.62500000000000 0.65263237138600 15.999 > 81 89 O 0.42896012888009 0.12500000000000 0.46379857861300 15.999 > 89 90 O 0.92896012888009 0.12500000000000 0.46379857861300 15.999 > 89 91 O 0.42896012888009 0.62500000000000 0.46379857861300 15.999 > 89 92 O 0.92896012888009 0.62500000000000 0.46379857861300 15.999 > 89 93 O 0.42896012888009 0.12500000000000 0.96379857861300 15.999 > 89 94 O 0.92896012888009 0.12500000000000 0.96379857861300 15.999 > 89 95 O 0.42896012888009 0.62500000000000 0.96379857861300 15.999 > 89 96 O 0.92896012888009 0.62500000000000 0.96379857861300 15.999 > 89 97 O 0.32184226776933 0.37500000000000 0.03769646619945 15.999 > 97 98 O 0.82184226776933 0.37500000000000 0.03769646619945 15.999 > 97 99 O 0.32184226776933 0.87500000000000 0.03769646619945 15.999 > 97 100 O 0.82184226776933 0.87500000000000 0.03769646619945 15.999 > 97 101 O 0.32184226776933 0.37500000000000 0.53769646619945 15.999 > 97 102 O 0.82184226776933 0.37500000000000 0.53769646619945 15.999 > 97 103 O 0.32184226776933 0.87500000000000 0.53769646619945 15.999 > 97 104 O 0.82184226776933 0.87500000000000 0.53769646619945 15.999 > 97 105 O 0.47163031076613 0.12500000000000 0.15450847176491 15.999 > 105 106 O 0.97163031076613 0.12500000000000 0.15450847176491 15.999 > 105 107 O 0.47163031076613 0.62500000000000 0.15450847176491 15.999 > 105 108 O 0.97163031076613 0.62500000000000 0.15450847176491 15.999 > 105 109 O 0.47163031076613 0.12500000000000 0.65450847176491 15.999 > 105 110 O 0.97163031076613 0.12500000000000 0.65450847176491 15.999 > 105 111 O 0.47163031076613 0.62500000000000 0.65450847176491 15.999 > 105 112 O 0.97163031076613 0.62500000000000 0.65450847176491 15.999 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2917869 0.0000000 0.0000179 0.0000000 3.2716833 0.0000000 0.0000174 0.0000000 3.3549247 -------------------------- Born effective charges -------------------------- 1 Ca 2.2476619 0.0000000 0.0066909 0.0000000 2.2102274 0.0000000 0.0085774 0.0000000 2.6068710 2 Ca 2.2476619 0.0000000 0.0066909 0.0000000 2.2102274 0.0000000 0.0085774 0.0000000 2.6068710 3 Al 3.0732902 0.0000000 -0.0118076 0.0000000 2.8191841 0.0000000 -0.0634158 0.0000000 2.7153540 4 Al 3.0732902 0.0000000 -0.0118076 0.0000000 2.8191841 0.0000000 -0.0634158 0.0000000 2.7153540 5 Al 2.9092544 0.0000000 0.0111499 0.0000000 2.8803587 0.0000000 0.0634084 0.0000000 2.7015286 6 Al 2.9092544 0.0000000 0.0111499 0.0000000 2.8803587 0.0000000 0.0634084 0.0000000 2.7015286 7 O -2.2576767 0.0000000 -0.1139730 0.0000000 -1.6333014 0.0000000 -0.0888068 0.0000000 -2.1561228 8 O -1.8898358 0.0000000 -0.0099372 0.0000000 -2.3062264 0.0000000 0.0319731 0.0000000 -1.6860814 9 O -2.2680934 0.0000000 0.1096142 0.0000000 -1.6421569 0.0000000 0.0842428 0.0000000 -2.1762082 10 O -1.8146006 0.0000000 0.0082629 0.0000000 -2.3280855 0.0000000 -0.0359790 0.0000000 -2.0053412 11 O -2.2680934 0.0000000 0.1096142 0.0000000 -1.6421569 0.0000000 0.0842428 0.0000000 -2.1762082 12 O -1.8898358 0.0000000 -0.0099372 0.0000000 -2.3062264 0.0000000 0.0319731 0.0000000 -1.6860814 13 O -1.8146006 0.0000000 0.0082629 0.0000000 -2.3280855 0.0000000 -0.0359790 0.0000000 -2.0053412 14 O -2.2576767 0.0000000 -0.1139730 0.0000000 -1.6333014 0.0000000 -0.0888068 0.0000000 -2.1561228 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000013 (xyy) -0.00000013 (xyy) -0.00000013 (xyy) 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 ... [ 9 13 7 ] 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: 0.79, Number of G-points: 307, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/224) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 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 4.563 ( 0.000 0.000 0.000) 0.000 5.765 ( 0.000 0.000 0.000) 0.000 5.977 ( 0.000 0.000 0.000) 0.000 7.181 ( 0.000 0.000 0.000) 0.000 7.434 ( 0.000 0.000 0.000) 0.000 7.976 ( 0.000 0.000 0.000) 0.000 8.893 ( 0.000 0.000 0.000) 0.000 9.208 ( 0.000 0.000 0.000) 0.000 9.293 ( 0.000 0.000 0.000) 0.000 9.687 ( 0.000 0.000 0.000) 0.000 9.756 ( 0.000 0.000 0.000) 0.000 9.954 ( 0.000 0.000 0.000) 0.000 10.116 ( 0.000 0.000 0.000) 0.000 10.342 ( 0.000 0.000 0.000) 0.000 11.255 ( 0.000 0.000 0.000) 0.000 11.536 ( 0.000 0.000 0.000) 0.000 11.817 ( 0.000 0.000 0.000) 0.000 12.222 ( 0.000 0.000 0.000) 0.000 12.814 ( 0.000 0.000 0.000) 0.000 13.248 ( 0.000 0.000 0.000) 0.000 13.258 ( 0.000 0.000 0.000) 0.000 13.847 ( 0.000 0.000 0.000) 0.000 14.156 ( 0.000 0.000 0.000) 0.000 14.258 ( 0.000 0.000 0.000) 0.000 15.515 ( 0.000 0.000 0.000) 0.000 15.620 ( 0.000 0.000 0.000) 0.000 15.894 ( 0.000 0.000 0.000) 0.000 16.299 ( 0.000 0.000 0.000) 0.000 16.834 ( 0.000 0.000 0.000) 0.000 17.119 ( 0.000 0.000 0.000) 0.000 18.489 ( 0.000 0.000 0.000) 0.000 18.665 ( 0.000 0.000 0.000) 0.000 18.845 ( 0.000 0.000 0.000) 0.000 18.953 ( 0.000 0.000 0.000) 0.000 19.311 ( 0.000 0.000 0.000) 0.000 19.466 ( 0.000 0.000 0.000) 0.000 20.480 ( 0.000 0.000 0.000) 0.000 20.912 ( 0.000 0.000 0.000) 0.000 22.172 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/224) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 35.387 0.000 33.951) 49.040 1.179 ( 56.949 0.000 7.536) 57.445 2.104 ( 101.538 0.000 2.748) 101.575 5.135 ( 13.748 0.000 -10.103) 17.061 5.787 ( 3.550 0.000 -8.471) 9.185 5.940 ( -4.787 0.000 7.267) 8.702 7.112 ( -7.888 0.000 -5.118) 9.403 7.736 ( 28.759 0.000 4.374) 29.090 7.817 ( -14.253 0.000 -4.302) 14.888 8.792 ( -11.110 0.000 1.166) 11.172 9.210 ( -0.999 0.000 5.359) 5.451 9.319 ( -11.729 0.000 21.395) 24.399 9.461 ( -24.465 0.000 -3.442) 24.706 9.610 ( -6.438 0.000 -0.015) 6.438 9.781 ( 9.823 0.000 -7.279) 12.226 10.602 ( 25.546 0.000 3.405) 25.772 10.631 ( 19.803 0.000 -5.575) 20.573 11.426 ( 10.405 0.000 -4.122) 11.192 11.504 ( -3.239 0.000 0.812) 3.340 11.852 ( 1.689 0.000 9.067) 9.223 12.360 ( 13.768 0.000 -1.125) 13.814 12.921 ( 8.708 0.000 1.758) 8.884 13.211 ( -3.608 0.000 -0.277) 3.618 13.359 ( 8.530 0.000 -4.816) 9.795 13.714 ( -8.605 0.000 0.253) 8.608 14.278 ( 9.013 0.000 0.377) 9.021 15.468 ( -5.527 0.000 0.854) 5.593 15.647 ( 2.621 0.000 0.014) 2.621 15.832 ( -5.550 0.000 1.928) 5.876 16.237 ( 4.053 0.000 -26.361) 26.670 16.570 ( -7.815 0.000 9.902) 12.614 17.284 ( 11.153 0.000 -10.884) 15.584 18.294 ( -26.725 0.000 -2.343) 26.827 18.344 ( -26.632 0.000 -0.003) 26.632 18.526 ( -5.243 0.000 -6.674) 8.487 18.742 ( -14.279 0.000 -0.725) 14.297 19.466 ( 27.921 0.000 -0.010) 27.921 19.964 ( 10.049 0.000 -18.886) 21.393 20.515 ( 20.669 0.000 -14.369) 25.173 20.813 ( -14.547 0.000 23.223) 27.403 22.128 ( -4.383 0.000 -0.013) 4.383 23.405 ( -8.483 0.000 18.376) 20.240 ======================= Grid point 2 (3/224) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 41.869 0.000 30.679) 51.906 2.324 ( 54.192 0.000 7.362) 54.690 3.949 ( 75.527 0.000 2.824) 75.580 5.554 ( 35.697 0.000 -6.912) 36.360 5.755 ( -5.501 0.000 -10.484) 11.840 5.923 ( 2.331 0.000 8.072) 8.402 6.810 ( -18.132 0.000 -11.398) 21.416 7.437 ( -20.249 0.000 -2.925) 20.459 8.407 ( -26.914 0.000 -0.907) 26.929 8.427 ( 28.949 0.000 9.923) 30.602 9.101 ( -10.497 0.000 0.243) 10.500 9.208 ( -1.289 0.000 4.763) 4.934 9.221 ( -2.278 0.000 8.897) 9.185 9.628 ( 13.231 0.000 -3.504) 13.687 10.003 ( 14.894 0.000 -8.283) 17.042 10.857 ( 3.131 0.000 -6.036) 6.799 11.057 ( 16.083 0.000 2.146) 16.225 11.444 ( -0.716 0.000 2.112) 2.230 11.669 ( 10.642 0.000 -1.916) 10.813 12.019 ( 14.158 0.000 11.232) 18.072 12.725 ( 22.061 0.000 -2.844) 22.243 13.030 ( -8.421 0.000 1.135) 8.498 13.105 ( -6.768 0.000 -0.540) 6.790 13.384 ( 4.530 0.000 -0.192) 4.534 13.776 ( 12.718 0.000 -4.463) 13.478 14.474 ( 10.078 0.000 1.025) 10.130 15.283 ( -12.967 0.000 3.262) 13.371 15.723 ( 4.840 0.000 0.023) 4.840 15.732 ( -4.169 0.000 2.280) 4.752 16.159 ( -4.071 0.000 0.928) 4.176 16.552 ( -2.741 0.000 -1.617) 3.182 17.279 ( -10.179 0.000 -7.844) 12.851 17.738 ( -13.996 0.000 -3.097) 14.335 17.841 ( -23.347 0.000 -0.007) 23.347 18.398 ( -5.675 0.000 -2.186) 6.081 18.639 ( 0.345 0.000 -8.170) 8.177 19.724 ( -15.641 0.000 -28.238) 32.281 20.011 ( 26.324 0.000 -0.013) 26.324 20.497 ( -26.085 0.000 27.616) 37.988 21.108 ( 30.206 0.000 11.443) 32.301 21.998 ( -8.534 0.000 -0.021) 8.534 23.262 ( -8.908 0.000 -2.954) 9.385 ======================= Grid point 3 (4/224) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 45.289 0.000 27.426) 52.946 3.385 ( 48.526 0.000 6.802) 49.000 4.844 ( 13.916 0.000 -4.621) 14.663 5.515 ( -15.446 0.000 -3.797) 15.906 6.051 ( 7.877 0.000 0.115) 7.878 6.212 ( -4.415 0.000 -8.791) 9.837 6.833 ( 52.027 0.000 -4.867) 52.254 7.051 ( -7.444 0.000 -2.248) 7.776 7.818 ( -28.803 0.000 -1.581) 28.846 8.756 ( 2.719 0.000 17.238) 17.452 8.975 ( -3.791 0.000 1.269) 3.998 9.200 ( -1.048 0.000 3.194) 3.361 9.202 ( -1.599 0.000 -6.638) 6.828 10.260 ( 34.688 0.000 0.810) 34.698 10.289 ( 16.371 0.000 -6.882) 17.759 10.716 ( -5.602 0.000 -8.274) 9.992 11.106 ( -8.220 0.000 1.939) 8.445 11.639 ( 15.306 0.000 2.421) 15.496 11.788 ( 2.481 0.000 6.981) 7.409 12.427 ( 15.226 0.000 4.053) 15.756 12.659 ( -16.846 0.000 -1.820) 16.944 12.946 ( -8.459 0.000 -0.714) 8.489 13.169 ( 20.893 0.000 -5.478) 21.599 13.616 ( 12.005 0.000 1.415) 12.088 13.916 ( 0.915 0.000 -2.370) 2.540 14.633 ( 1.061 0.000 2.475) 2.693 15.090 ( -3.425 0.000 2.603) 4.302 15.725 ( 2.765 0.000 3.988) 4.853 15.832 ( 5.669 0.000 0.022) 5.669 15.919 ( -25.275 0.000 1.814) 25.341 16.420 ( 0.430 0.000 -2.499) 2.536 17.165 ( 1.705 0.000 -0.321) 1.735 17.429 ( -17.338 0.000 -0.008) 17.338 17.621 ( -2.240 0.000 -1.575) 2.738 18.300 ( -3.105 0.000 -0.176) 3.110 18.658 ( 6.701 0.000 -15.485) 16.873 19.256 ( -19.433 0.000 -19.876) 27.797 20.014 ( -31.699 0.000 26.146) 41.090 20.506 ( 22.844 0.000 -0.010) 22.844 21.728 ( 26.215 0.000 13.657) 29.559 21.792 ( -11.798 0.000 -0.020) 11.798 23.025 ( -12.047 0.000 -11.102) 16.382 ======================= Grid point 4 (5/224) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.700 ( 43.841 0.000 23.848) 49.907 4.270 ( 34.776 0.000 4.944) 35.126 4.568 ( -31.227 0.000 -17.834) 35.961 5.109 ( -22.255 0.000 -3.211) 22.486 6.192 ( 8.640 0.000 -1.494) 8.768 6.202 ( 5.842 0.000 -0.839) 5.902 6.634 ( -15.846 0.000 -1.244) 15.895 7.350 ( -14.453 0.000 -0.483) 14.461 8.316 ( 67.261 0.000 -8.048) 67.741 8.829 ( -2.360 0.000 21.680) 21.808 8.933 ( -1.054 0.000 0.568) 1.198 9.155 ( 2.583 0.000 -5.623) 6.188 9.194 ( -0.396 0.000 1.092) 1.162 9.812 ( -47.756 0.000 -8.357) 48.482 10.584 ( 14.664 0.000 -4.717) 15.404 10.895 ( -12.421 0.000 3.026) 12.784 11.399 ( 37.690 0.000 -0.504) 37.693 11.873 ( 4.521 0.000 6.611) 8.009 11.902 ( 7.985 0.000 1.012) 8.049 12.297 ( -9.225 0.000 -0.961) 9.274 12.643 ( -5.419 0.000 -1.659) 5.667 12.794 ( -5.100 0.000 -0.454) 5.120 13.329 ( -2.208 0.000 -4.469) 4.984 13.845 ( 9.513 0.000 0.541) 9.529 13.973 ( 10.523 0.000 0.522) 10.536 14.467 ( -15.507 0.000 2.309) 15.678 15.145 ( 3.160 0.000 3.439) 4.670 15.466 ( -12.743 0.000 -2.773) 13.041 15.857 ( 5.667 0.000 2.140) 6.057 15.926 ( 2.941 0.000 0.010) 2.941 16.484 ( 2.726 0.000 -0.515) 2.774 17.178 ( -6.928 0.000 -0.004) 6.928 17.200 ( 0.663 0.000 0.861) 1.087 17.595 ( -0.368 0.000 0.370) 0.522 18.285 ( 0.913 0.000 1.376) 1.651 18.733 ( 1.042 0.000 -15.524) 15.558 18.929 ( -0.828 0.000 -6.211) 6.266 19.524 ( -22.001 0.000 15.599) 26.970 20.889 ( 13.329 0.000 -0.002) 13.329 21.558 ( -9.586 0.000 -0.009) 9.586 22.258 ( 21.143 0.000 14.619) 25.704 22.691 ( -16.299 0.000 -14.144) 21.580 ======================= Grid point 9 (6/224) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 0.000 47.754 0.000) 47.754 1.162 ( 0.000 55.646 0.000) 55.646 1.783 ( 0.000 86.147 0.000) 86.147 4.636 ( 0.000 7.187 0.000) 7.187 6.054 ( 0.000 7.118 0.000) 7.118 6.305 ( 0.000 -3.301 0.000) 3.301 7.252 ( 0.000 5.300 0.000) 5.300 7.449 ( 0.000 1.882 0.000) 1.882 7.897 ( 0.000 -7.283 0.000) 7.283 8.841 ( 0.000 -4.665 0.000) 4.665 9.252 ( 0.000 2.420 0.000) 2.420 9.381 ( 0.000 7.484 0.000) 7.484 9.671 ( 0.000 0.756 0.000) 0.756 9.821 ( 0.000 4.504 0.000) 4.504 9.960 ( 0.000 -5.600 0.000) 5.600 10.156 ( 0.000 4.058 0.000) 4.058 10.585 ( 0.000 16.276 0.000) 16.276 11.366 ( 0.000 10.280 0.000) 10.280 11.847 ( 0.000 2.880 0.000) 2.880 12.217 ( 0.000 -1.505 0.000) 1.505 12.533 ( 0.000 -16.437 0.000) 16.437 12.809 ( 0.000 -0.255 0.000) 0.255 13.273 ( 0.000 1.301 0.000) 1.301 13.284 ( 0.000 2.875 0.000) 2.875 13.972 ( 0.000 10.917 0.000) 10.917 14.256 ( 0.000 4.645 0.000) 4.645 14.294 ( 0.000 8.560 0.000) 8.560 15.531 ( 0.000 0.924 0.000) 0.924 15.991 ( 0.000 9.939 0.000) 9.939 16.357 ( 0.000 5.326 0.000) 5.326 16.865 ( 0.000 3.137 0.000) 3.137 17.111 ( 0.000 -1.225 0.000) 1.225 18.114 ( 0.000 -36.999 0.000) 36.999 18.231 ( 0.000 -30.808 0.000) 30.808 18.503 ( 0.000 -5.458 0.000) 5.458 18.845 ( 0.000 -3.836 0.000) 3.836 19.647 ( 0.000 18.359 0.000) 18.359 19.833 ( 0.000 23.510 0.000) 23.510 20.352 ( 0.000 -8.770 0.000) 8.770 20.664 ( 0.000 -21.989 0.000) 21.989 22.223 ( 0.000 3.728 0.000) 3.728 23.290 ( 0.000 10.565 0.000) 10.565 ======================= Grid point 10 (7/224) ======================= q-point: ( 0.11 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 24.201 36.585 11.822) 45.430 1.696 ( 38.813 40.260 8.350) 56.542 2.712 ( 75.661 52.613 4.374) 92.260 4.930 ( 23.495 -2.697 -3.237) 23.869 5.983 ( -5.591 6.770 -9.252) 12.755 6.105 ( -10.125 9.256 5.108) 14.638 7.213 ( -5.945 8.880 -4.844) 11.733 7.713 ( 15.392 -4.207 1.919) 16.071 7.764 ( -0.888 -2.687 -1.651) 3.276 8.805 ( -5.400 0.004 1.252) 5.543 9.179 ( -6.389 -3.348 3.257) 7.914 9.308 ( -16.298 1.113 11.270) 19.846 9.508 ( -18.756 4.165 2.463) 19.370 9.632 ( 0.957 1.923 -7.682) 7.977 9.887 ( 5.693 9.673 -4.099) 11.949 10.534 ( 22.678 -1.207 1.414) 22.754 10.820 ( 16.721 12.010 -3.253) 20.843 11.412 ( 4.578 6.644 -0.363) 8.077 11.884 ( 1.476 2.999 7.513) 8.223 11.941 ( -17.631 15.213 -3.279) 23.517 12.395 ( 13.952 3.272 -0.090) 14.331 12.917 ( 9.504 -0.028 2.013) 9.715 13.184 ( -5.931 -0.891 -0.547) 6.022 13.460 ( 13.871 7.430 -4.450) 16.353 13.787 ( -8.080 7.147 0.607) 10.804 14.325 ( 4.706 5.640 -0.035) 7.346 14.976 ( 24.938 -28.925 0.400) 38.193 15.511 ( -3.352 1.199 -1.346) 3.806 15.961 ( -3.566 9.219 -0.770) 9.914 16.387 ( 1.939 7.379 -4.736) 8.980 16.619 ( -11.941 3.058 5.658) 13.563 17.299 ( 11.505 0.872 -10.694) 15.732 17.805 ( -21.995 -34.443 0.648) 40.872 18.082 ( -24.507 -28.427 -3.539) 37.699 18.439 ( -1.419 -4.378 -4.209) 6.236 18.763 ( -4.264 1.298 0.946) 4.557 19.682 ( 10.241 12.213 -0.647) 15.951 19.956 ( 2.067 -1.504 -30.931) 31.036 20.570 ( 25.135 7.210 -1.737) 26.206 20.663 ( -12.194 -18.135 38.301) 44.098 22.171 ( -4.320 3.697 -2.357) 6.155 23.353 ( -0.521 2.153 6.873) 7.221 ======================= Grid point 11 (8/224) ======================= q-point: ( 0.22 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 37.996 22.211 19.740) 48.236 2.589 ( 45.080 23.951 9.799) 51.980 4.232 ( 63.148 25.282 2.898) 68.082 5.525 ( 40.420 1.128 -4.471) 40.682 5.809 ( -8.120 4.778 -7.322) 11.932 6.015 ( -0.228 7.487 3.230) 8.157 6.973 ( -13.929 13.808 -10.055) 22.040 7.398 ( -18.270 -3.420 -3.083) 18.842 8.363 ( 22.732 -5.475 9.421) 25.209 8.490 ( -26.546 7.210 -0.432) 27.511 9.043 ( -9.043 -7.585 2.448) 12.054 9.111 ( 3.900 0.240 -0.938) 4.019 9.376 ( 3.252 7.255 11.437) 13.929 9.680 ( 7.671 5.062 -6.355) 11.174 10.059 ( 13.044 5.479 -6.240) 15.463 10.913 ( 10.044 2.318 -2.861) 10.698 11.042 ( 7.507 2.852 -1.739) 8.217 11.477 ( 0.869 3.382 4.661) 5.824 11.794 ( 0.718 6.942 -1.544) 7.148 12.105 ( 17.593 7.943 7.048) 20.549 12.784 ( 23.019 5.092 -1.536) 23.626 13.002 ( -11.865 -1.035 0.282) 11.913 13.131 ( 5.411 3.037 1.580) 6.403 13.559 ( -1.838 13.140 0.994) 13.305 13.835 ( 14.406 7.018 -6.908) 17.450 14.462 ( 9.054 -0.761 0.770) 9.119 15.269 ( 5.598 -14.815 2.728) 16.071 15.359 ( -8.489 -3.830 0.607) 9.333 15.857 ( -5.144 5.001 1.909) 7.424 16.333 ( -5.283 10.375 2.362) 11.879 16.541 ( -4.793 -0.959 -2.464) 5.474 17.244 ( -14.865 -7.802 -5.181) 17.569 17.397 ( -18.471 -26.909 -0.662) 32.645 17.632 ( -6.792 -14.314 -4.441) 16.454 18.369 ( -3.916 -3.761 -4.457) 7.025 18.705 ( -1.224 3.431 -3.621) 5.137 19.599 ( -13.044 -11.270 -26.981) 32.018 20.109 ( 20.480 8.030 -1.550) 22.053 20.392 ( -25.489 -12.011 30.185) 41.293 21.180 ( 28.373 6.538 10.939) 31.104 22.038 ( -8.081 3.483 -0.793) 8.836 23.277 ( -7.062 2.362 -3.484) 8.221 ======================= Grid point 12 (9/224) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 43.478 14.234 21.151) 50.402 3.522 ( 43.461 12.989 8.889) 46.224 4.972 ( 11.385 11.949 -4.566) 17.125 5.530 ( -15.841 1.251 -5.251) 16.735 5.903 ( 0.660 -7.041 -1.040) 7.148 6.434 ( 4.548 15.456 -4.636) 16.765 6.962 ( 7.192 5.988 -2.280) 9.632 7.155 ( 36.121 15.279 -5.333) 39.580 7.896 ( -28.433 6.808 -1.160) 29.260 8.589 ( 0.740 -9.886 10.957) 14.776 8.918 ( -4.043 -11.321 -0.825) 12.050 9.175 ( 0.184 11.363 5.410) 12.586 9.487 ( 0.125 13.931 -0.917) 13.962 10.208 ( 36.331 -3.848 -1.899) 36.583 10.343 ( 18.872 3.576 -3.669) 19.555 10.814 ( -10.961 9.606 -8.605) 16.926 11.073 ( -6.429 -2.623 1.500) 7.104 11.641 ( 13.019 0.414 4.463) 13.769 11.821 ( 0.906 2.516 5.195) 5.843 12.503 ( 13.199 6.529 1.899) 14.848 12.645 ( -17.788 0.585 -1.399) 17.852 13.104 ( -1.207 12.310 0.297) 12.373 13.296 ( 25.396 9.830 -1.995) 27.305 13.715 ( 11.365 8.930 1.727) 14.557 13.945 ( -3.277 5.232 -5.767) 8.448 14.643 ( 3.624 0.909 2.281) 4.378 15.135 ( -4.962 4.287 1.324) 6.690 15.427 ( 3.565 -18.781 0.782) 19.132 15.795 ( -9.053 -2.978 6.177) 11.357 16.017 ( -15.040 1.190 -1.549) 15.166 16.470 ( 2.247 4.882 -1.503) 5.581 17.010 ( -16.783 -33.010 0.599) 37.036 17.151 ( 2.570 -2.097 0.190) 3.322 17.586 ( -0.638 -4.724 -3.479) 5.902 18.275 ( -3.156 -4.106 -3.315) 6.148 18.697 ( 3.812 2.230 -9.628) 10.593 19.189 ( -16.552 -6.720 -18.949) 26.042 19.929 ( -30.556 -8.842 25.435) 40.728 20.535 ( 20.987 2.546 -0.274) 21.143 21.674 ( 6.987 -1.887 6.608) 9.800 21.925 ( 6.157 8.863 5.850) 12.275 23.062 ( -11.503 3.509 -10.060) 15.679 ======================= Grid point 13 (10/224) ======================= q-point: ( 0.44 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.794 ( 42.482 9.359 19.550) 47.692 4.332 ( 28.965 6.376 5.606) 30.184 4.681 ( -26.866 10.191 -14.741) 32.295 5.123 ( -22.756 1.528 -3.988) 23.153 6.064 ( 15.418 -3.830 -1.595) 15.966 6.350 ( -8.676 5.788 1.077) 10.485 6.740 ( -7.277 10.631 -2.744) 13.172 7.436 ( -13.798 7.727 0.001) 15.814 8.449 ( 48.475 7.896 -13.325) 50.889 8.645 ( 7.413 -6.621 14.319) 17.430 8.905 ( 9.152 -5.879 3.160) 11.327 9.199 ( 1.170 12.622 6.287) 14.149 9.462 ( -1.152 14.502 -1.411) 14.616 9.972 ( -46.161 14.542 -7.932) 49.043 10.594 ( 15.061 0.919 -3.659) 15.526 10.870 ( -12.195 -1.477 1.968) 12.440 11.264 ( 29.235 -10.991 -0.834) 31.244 11.870 ( 3.668 -0.470 9.184) 9.901 11.896 ( 6.678 -0.002 -2.831) 7.253 12.323 ( -9.395 2.350 -0.483) 9.696 12.672 ( 6.029 6.937 -0.278) 9.195 13.135 ( -2.655 23.226 -0.156) 23.378 13.479 ( -10.690 14.792 -5.044) 18.935 13.897 ( 9.633 4.994 0.291) 10.854 13.986 ( 16.126 1.176 0.940) 16.196 14.502 ( -16.617 3.292 2.078) 17.067 15.141 ( 0.948 0.122 2.056) 2.267 15.328 ( -8.373 -12.477 -1.223) 15.076 15.643 ( 1.205 -10.702 0.019) 10.770 16.084 ( 8.161 6.308 2.253) 10.558 16.472 ( -3.048 -3.377 -1.758) 4.877 16.799 ( -3.780 -27.676 0.835) 27.945 17.182 ( -0.222 -3.695 0.788) 3.785 17.572 ( 0.138 -2.447 -0.572) 2.517 18.226 ( -0.917 -6.468 -1.279) 6.656 18.789 ( 6.724 2.010 -11.558) 13.522 18.878 ( -5.845 -3.901 -5.159) 8.718 19.461 ( -20.516 -6.303 14.447) 25.871 20.895 ( 12.856 0.418 -0.144) 12.864 21.539 ( -9.128 -1.441 0.294) 9.246 22.330 ( 19.777 6.086 13.091) 24.485 22.742 ( -15.730 4.777 -12.810) 20.842 ======================= Grid point 18 (11/224) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 0.000 51.265 0.000) 51.265 2.247 ( 0.000 50.079 0.000) 50.079 3.488 ( 0.000 79.944 0.000) 79.944 4.862 ( 0.000 15.014 0.000) 15.014 6.238 ( 0.000 10.065 0.000) 10.065 6.260 ( 0.000 -0.073 0.000) 0.073 7.303 ( 0.000 -1.834 0.000) 1.834 7.538 ( 0.000 6.613 0.000) 6.613 7.710 ( 0.000 -9.837 0.000) 9.837 8.714 ( 0.000 -7.528 0.000) 7.528 9.291 ( 0.000 0.654 0.000) 0.654 9.548 ( 0.000 6.692 0.000) 6.692 9.735 ( 0.000 6.018 0.000) 6.018 9.952 ( 0.000 9.477 0.000) 9.477 9.958 ( 0.000 5.796 0.000) 5.796 10.288 ( 0.000 8.965 0.000) 8.965 10.895 ( 0.000 12.752 0.000) 12.752 11.632 ( 0.000 14.545 0.000) 14.545 11.923 ( 0.000 2.246 0.000) 2.246 11.981 ( 0.000 -20.558 0.000) 20.558 12.314 ( 0.000 -2.427 0.000) 2.427 12.812 ( 0.000 0.614 0.000) 0.614 13.295 ( 0.000 0.395 0.000) 0.395 13.339 ( 0.000 2.058 0.000) 2.058 14.247 ( 0.000 15.076 0.000) 15.076 14.306 ( 0.000 2.585 0.000) 2.585 14.615 ( 0.000 19.196 0.000) 19.196 15.535 ( 0.000 -0.573 0.000) 0.573 16.302 ( 0.000 19.917 0.000) 19.917 16.476 ( 0.000 4.510 0.000) 4.510 16.953 ( 0.000 3.008 0.000) 3.008 16.996 ( 0.000 -13.851 0.000) 13.851 17.367 ( 0.000 -31.159 0.000) 31.159 17.640 ( 0.000 -19.697 0.000) 19.697 18.396 ( 0.000 -6.043 0.000) 6.043 18.716 ( 0.000 -8.433 0.000) 8.433 19.724 ( 0.000 -9.143 0.000) 9.143 19.990 ( 0.000 -26.004 0.000) 26.004 20.365 ( 0.000 11.366 0.000) 11.366 20.378 ( 0.000 11.412 0.000) 11.412 22.267 ( 0.000 -0.460 0.000) 0.460 23.507 ( 0.000 8.988 0.000) 8.988 ======================= Grid point 19 (12/224) ======================= q-point: ( 0.11 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 14.466 47.688 2.164) 49.881 2.578 ( 26.280 43.461 5.420) 51.077 3.962 ( 42.455 64.660 4.649) 77.491 5.058 ( 20.487 13.602 -2.520) 24.720 6.131 ( -6.140 7.206 -10.847) 14.398 6.232 ( -5.214 6.173 9.085) 12.159 7.395 ( 0.576 5.369 -4.501) 7.030 7.558 ( -6.037 -7.018 -2.746) 9.656 7.748 ( 18.749 -0.149 3.891) 19.149 8.741 ( 3.525 -6.224 -1.125) 7.241 9.147 ( -14.345 0.572 0.885) 14.383 9.394 ( -22.990 7.386 5.152) 24.691 9.572 ( -10.067 1.256 3.779) 10.826 9.737 ( 4.609 9.293 -4.424) 11.277 10.136 ( 3.337 14.120 -1.061) 14.547 10.559 ( 19.732 3.705 1.579) 20.139 11.070 ( 13.170 11.051 -4.073) 17.668 11.583 ( -2.621 7.466 -0.845) 7.958 11.891 ( -3.466 -8.741 -3.697) 10.103 12.007 ( 3.735 2.337 7.041) 8.306 12.456 ( 15.357 2.026 1.285) 15.543 12.930 ( 11.081 1.234 2.997) 11.546 13.196 ( -6.083 1.966 -0.651) 6.426 13.597 ( 21.559 4.882 -4.319) 22.523 13.995 ( -10.012 12.209 -1.248) 15.838 14.539 ( -2.215 14.424 0.494) 14.601 14.686 ( 15.458 -2.295 0.114) 15.628 15.540 ( -0.981 1.182 0.053) 1.537 16.234 ( -7.978 17.305 -2.727) 19.250 16.524 ( 4.424 5.032 -0.958) 6.768 16.660 ( -13.109 -1.913 5.551) 14.364 17.072 ( -22.738 -31.229 1.607) 38.663 17.249 ( 10.556 -14.269 -7.113) 19.122 17.548 ( -13.625 -11.832 -4.235) 18.535 18.325 ( -3.042 -7.040 -4.964) 9.136 18.719 ( -0.393 -5.482 2.373) 5.987 19.590 ( -5.042 -14.601 -30.960) 34.600 20.044 ( 0.805 -13.438 15.750) 20.720 20.220 ( -6.410 -2.979 17.289) 18.678 20.807 ( 25.233 12.997 5.746) 28.959 22.219 ( -4.798 -0.182 0.739) 4.858 23.476 ( -3.326 6.984 -0.518) 7.753 ======================= Grid point 20 (13/224) ======================= q-point: ( 0.22 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 29.086 38.053 5.524) 48.213 3.192 ( 30.843 32.509 11.232) 46.198 4.844 ( 34.914 31.722 1.778) 47.206 5.657 ( 28.319 10.190 -4.443) 30.423 5.940 ( -9.127 7.356 -0.565) 11.736 6.253 ( 17.802 18.140 -0.226) 25.417 7.261 ( -14.387 7.595 -7.184) 17.785 7.331 ( -5.455 2.437 -4.919) 7.739 8.241 ( 13.893 -5.787 8.169) 17.124 8.658 ( -23.700 8.438 0.508) 25.162 8.929 ( -8.708 -3.332 -0.598) 9.343 9.110 ( 17.344 0.326 -0.363) 17.351 9.503 ( 0.800 4.931 9.294) 10.551 9.827 ( 4.809 9.181 -5.328) 11.654 10.223 ( 7.230 10.299 -2.132) 12.763 10.923 ( 14.045 0.920 1.079) 14.116 11.191 ( 0.258 7.442 -5.849) 9.469 11.553 ( -0.935 3.358 4.461) 5.661 11.850 ( -0.098 -1.199 -0.436) 1.280 12.258 ( 19.691 5.362 2.185) 20.524 12.885 ( 25.066 3.185 1.950) 25.343 13.034 ( -10.054 4.999 -0.265) 11.231 13.224 ( 13.307 5.602 2.971) 14.741 13.782 ( -8.105 8.995 1.003) 12.149 14.103 ( 25.505 16.138 -8.703) 31.412 14.493 ( 1.654 5.607 -0.265) 5.852 14.969 ( 11.143 -7.420 0.773) 13.409 15.446 ( -8.765 5.802 1.605) 10.633 15.990 ( -13.185 7.835 1.469) 15.407 16.432 ( -20.937 -4.513 -2.519) 21.566 16.554 ( -10.083 -12.460 1.888) 16.139 16.633 ( -9.302 -17.765 0.193) 20.054 17.116 ( -10.882 -13.029 -0.026) 16.976 17.450 ( 4.954 -0.610 -7.788) 9.251 18.243 ( -3.981 -8.404 -6.650) 11.432 18.711 ( -0.982 -3.079 0.566) 3.281 19.312 ( -10.750 -15.342 -25.636) 31.752 19.997 ( -18.547 -24.593 31.311) 43.922 20.290 ( 12.418 8.543 -1.457) 15.143 21.342 ( 23.689 8.251 7.574) 26.203 22.096 ( -7.057 1.034 1.773) 7.349 23.361 ( -7.322 4.750 -4.193) 9.683 ======================= Grid point 21 (14/224) ======================= q-point: ( 0.33 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.272 ( 37.706 27.432 8.584) 47.412 3.877 ( 32.256 20.483 12.572) 40.225 5.303 ( 6.783 19.810 -3.791) 21.279 5.556 ( -15.015 1.480 -7.341) 16.778 5.843 ( -2.407 1.189 0.682) 2.770 6.744 ( -7.284 12.536 -0.771) 14.519 7.072 ( -1.520 7.712 -2.927) 8.388 7.631 ( 56.168 27.443 -6.623) 62.864 8.041 ( -23.121 5.679 -1.819) 23.878 8.459 ( -0.135 -0.917 8.578) 8.627 8.734 ( -6.267 -5.435 1.630) 8.454 9.402 ( 2.509 10.208 5.090) 11.680 9.760 ( 3.458 12.514 0.963) 13.019 10.118 ( 37.132 -4.293 -3.168) 37.513 10.421 ( 13.762 4.118 -1.191) 14.414 11.027 ( -3.844 0.673 -1.476) 4.172 11.070 ( -10.252 11.243 -6.582) 16.579 11.656 ( 9.145 0.846 6.739) 11.391 11.856 ( 0.686 0.158 1.765) 1.900 12.629 ( 11.731 4.691 -0.801) 12.659 12.744 ( -19.004 9.857 -0.174) 21.409 13.363 ( 8.973 10.280 2.011) 13.793 13.436 ( 25.905 3.476 1.858) 26.203 13.821 ( 8.345 2.956 2.118) 9.103 14.311 ( -1.150 26.564 -7.693) 27.679 14.700 ( 8.021 7.430 -1.113) 10.989 15.079 ( 0.952 -10.056 -1.131) 10.164 15.310 ( -1.729 7.402 1.045) 7.673 15.639 ( -26.323 -12.366 3.150) 29.253 15.998 ( -6.921 -3.561 0.786) 7.823 16.254 ( -13.551 -35.547 1.103) 38.058 16.602 ( 0.060 7.748 -1.038) 7.818 17.107 ( 2.756 -2.284 1.573) 3.910 17.475 ( 0.861 -4.642 -4.668) 6.639 18.117 ( -4.817 -11.088 -7.960) 14.474 18.692 ( -0.547 -3.218 -1.194) 3.475 19.001 ( -10.441 -10.646 -15.535) 21.533 19.648 ( -25.180 -18.018 22.360) 38.192 20.595 ( 16.872 2.948 -0.991) 17.157 21.655 ( -0.510 -0.653 3.301) 3.403 22.094 ( 10.991 6.810 7.459) 14.928 23.151 ( -11.060 4.491 -7.938) 14.335 ======================= Grid point 22 (15/224) ======================= q-point: ( 0.44 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.082 ( 37.896 18.466 9.219) 43.152 4.535 ( 24.580 13.162 10.334) 29.735 4.927 ( -25.928 11.935 -8.062) 29.660 5.186 ( -23.042 5.553 -7.853) 24.969 6.071 ( 19.716 5.215 -1.265) 20.433 6.463 ( -17.390 6.628 2.230) 18.744 7.017 ( -0.605 14.485 -3.496) 14.913 7.624 ( -12.071 9.707 0.949) 15.519 8.412 ( 3.927 -4.115 -3.631) 6.748 8.563 ( 1.328 -6.103 0.814) 6.299 9.124 ( 53.361 24.051 3.178) 58.617 9.458 ( 4.226 12.129 6.516) 14.403 9.754 ( -0.854 13.903 0.006) 13.929 10.302 ( -32.907 13.055 -3.946) 35.622 10.654 ( 8.461 7.492 -2.817) 11.647 10.875 ( -9.798 1.990 0.237) 10.001 11.051 ( 17.183 -7.329 -2.725) 18.879 11.849 ( 4.562 -1.641 10.931) 11.958 11.903 ( 3.280 0.254 -6.100) 6.930 12.388 ( -11.430 4.177 0.127) 12.170 12.863 ( 16.382 9.794 0.483) 19.093 13.559 ( 3.490 16.993 0.427) 17.353 13.763 ( -14.643 3.472 -2.975) 15.340 14.021 ( 21.341 6.707 -0.175) 22.370 14.120 ( -0.807 15.310 1.438) 15.398 14.572 ( -16.376 2.816 0.417) 16.622 15.089 ( 2.054 -3.904 -4.799) 6.518 15.241 ( -8.455 9.433 4.196) 13.345 15.428 ( 3.733 -10.674 -0.071) 11.308 15.922 ( -4.491 -34.740 0.209) 35.030 16.239 ( 9.173 2.221 1.984) 9.644 16.580 ( -2.210 1.242 -2.145) 3.321 17.078 ( -4.591 -5.808 1.877) 7.638 17.500 ( 2.155 -4.380 -1.299) 5.051 18.019 ( -1.850 -13.222 -4.542) 14.102 18.686 ( 0.155 -9.214 -1.312) 9.309 18.837 ( -0.623 -2.819 -6.546) 7.154 19.266 ( -16.229 -12.563 10.724) 23.157 20.895 ( 11.101 -0.645 -0.546) 11.133 21.511 ( -8.293 -1.330 0.694) 8.428 22.454 ( 16.354 4.870 9.549) 19.554 22.865 ( -13.375 6.389 -9.221) 17.456 ======================= Grid point 27 (16/224) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.035 ( 0.000 53.490 0.000) 53.490 3.189 ( 0.000 41.930 0.000) 41.930 4.978 ( 0.000 62.800 0.000) 62.800 5.249 ( 0.000 22.700 0.000) 22.700 6.349 ( 0.000 10.694 0.000) 10.694 6.431 ( 0.000 8.224 0.000) 8.224 7.149 ( 0.000 -13.333 0.000) 13.333 7.547 ( 0.000 -5.361 0.000) 5.361 7.681 ( 0.000 6.542 0.000) 6.542 8.549 ( 0.000 -8.287 0.000) 8.287 9.275 ( 0.000 -1.936 0.000) 1.936 9.574 ( 0.000 -2.957 0.000) 2.957 9.939 ( 0.000 11.863 0.000) 11.863 10.171 ( 0.000 13.854 0.000) 13.854 10.233 ( 0.000 18.060 0.000) 18.060 10.521 ( 0.000 13.642 0.000) 13.642 11.023 ( 0.000 -4.742 0.000) 4.742 11.542 ( 0.000 -12.378 0.000) 12.378 11.913 ( 0.000 12.248 0.000) 12.248 12.022 ( 0.000 3.792 0.000) 3.792 12.290 ( 0.000 -0.768 0.000) 0.768 12.832 ( 0.000 1.229 0.000) 1.229 13.278 ( 0.000 -2.180 0.000) 2.180 13.352 ( 0.000 -1.372 0.000) 1.372 14.369 ( 0.000 3.484 0.000) 3.484 14.529 ( 0.000 10.462 0.000) 10.462 14.982 ( 0.000 13.537 0.000) 13.537 15.498 ( 0.000 -4.250 0.000) 4.250 16.419 ( 0.000 -13.445 0.000) 13.445 16.505 ( 0.000 -18.917 0.000) 18.917 16.685 ( 0.000 -13.457 0.000) 13.457 16.834 ( 0.000 23.964 0.000) 23.964 17.292 ( 0.000 12.762 0.000) 12.762 17.514 ( 0.000 2.853 0.000) 2.853 18.256 ( 0.000 -7.362 0.000) 7.362 18.519 ( 0.000 -10.232 0.000) 10.232 19.316 ( 0.000 -34.900 0.000) 34.900 19.565 ( 0.000 -2.632 0.000) 2.632 20.612 ( 0.000 9.356 0.000) 9.356 20.624 ( 0.000 9.933 0.000) 9.933 22.187 ( 0.000 -7.133 0.000) 7.133 23.613 ( 0.000 0.701 0.000) 0.701 ======================= Grid point 28 (17/224) ======================= q-point: ( 0.11 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.127 ( 9.887 51.331 -2.490) 52.334 3.410 ( 17.929 37.495 5.149) 41.878 5.173 ( 14.926 48.845 2.483) 51.135 5.459 ( 22.850 25.311 -1.410) 34.129 6.297 ( -7.364 8.201 -6.750) 12.925 6.403 ( 1.691 13.393 7.453) 15.420 7.240 ( 3.733 -13.701 -2.698) 14.454 7.619 ( -0.047 6.096 -8.635) 10.570 7.747 ( 16.906 0.320 7.158) 18.361 8.589 ( 5.573 -7.801 -0.885) 9.628 9.159 ( -11.658 -0.072 -0.967) 11.698 9.562 ( -1.723 -1.390 4.253) 4.795 9.617 ( -28.286 13.336 3.063) 31.422 9.991 ( 1.298 14.850 -1.309) 14.964 10.447 ( 1.442 16.002 3.087) 16.361 10.681 ( 15.248 7.903 0.777) 17.192 11.146 ( 8.158 -8.853 -3.924) 12.662 11.559 ( 2.658 -2.805 -0.967) 3.984 11.839 ( -1.899 6.083 -4.682) 7.908 12.084 ( 3.951 3.237 5.965) 7.853 12.480 ( 16.836 0.589 2.041) 16.970 12.960 ( 13.138 1.650 3.129) 13.606 13.253 ( -2.843 2.924 -0.584) 4.120 13.633 ( 26.454 -1.512 -4.304) 26.845 14.214 ( -8.877 7.978 -2.629) 12.222 14.715 ( 11.804 3.932 -0.189) 12.443 14.878 ( -8.067 13.758 -0.495) 15.956 15.534 ( 1.692 -3.212 0.871) 3.734 16.237 ( -15.911 -25.273 1.228) 29.889 16.556 ( 3.383 -11.390 4.995) 12.889 16.629 ( -6.478 9.399 -13.649) 17.794 16.669 ( -18.979 2.023 3.116) 19.339 17.104 ( -6.758 9.315 4.733) 12.444 17.605 ( 0.675 9.846 -6.448) 11.788 18.153 ( -4.831 -9.644 -5.876) 12.283 18.562 ( 1.890 -9.187 2.753) 9.775 19.234 ( -0.675 -23.950 -37.275) 44.311 19.576 ( -8.600 -13.219 42.581) 45.407 20.404 ( -3.934 8.847 -1.568) 9.809 21.031 ( 22.314 8.074 4.072) 24.076 22.147 ( -4.113 -6.638 1.407) 7.935 23.561 ( -4.797 0.360 -1.267) 4.975 ======================= Grid point 29 (18/224) ======================= q-point: ( 0.22 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.420 ( 20.943 44.237 -4.786) 49.177 3.833 ( 19.932 29.399 12.575) 37.679 5.494 ( 16.851 32.529 -0.269) 36.635 5.866 ( 4.976 9.702 -6.687) 12.791 6.050 ( -13.044 2.566 5.137) 14.252 6.776 ( 35.311 29.089 1.379) 45.770 7.195 ( -5.434 -4.957 -2.651) 7.819 7.577 ( 5.922 13.543 -12.741) 19.515 8.144 ( 8.454 -3.413 9.906) 13.463 8.810 ( -12.668 5.607 2.627) 14.101 8.891 ( 6.505 -0.910 -2.849) 7.160 9.171 ( 0.088 6.617 0.466) 6.634 9.582 ( 1.661 3.258 6.480) 7.441 10.047 ( 3.615 12.208 -1.967) 12.884 10.466 ( 0.967 13.244 1.360) 13.349 10.959 ( 9.824 1.495 1.428) 10.040 11.221 ( 2.615 -5.325 -2.527) 6.448 11.590 ( 1.284 0.081 -3.109) 3.365 11.826 ( -1.116 1.171 2.834) 3.263 12.334 ( 19.777 2.874 0.481) 19.990 12.891 ( 20.762 -1.783 3.580) 21.143 13.193 ( -1.355 8.881 -0.240) 8.987 13.339 ( 19.571 5.719 3.164) 20.634 13.963 ( -8.664 7.999 -2.096) 11.977 14.298 ( 32.633 0.985 -5.237) 33.065 14.696 ( -4.972 10.862 -2.424) 12.190 14.975 ( 11.834 6.402 -1.168) 13.505 15.523 ( -3.882 -1.388 1.491) 4.384 15.865 ( -22.295 -27.157 1.437) 35.166 16.127 ( -29.320 -0.948 0.802) 29.346 16.274 ( -21.323 -2.573 -5.900) 22.273 16.738 ( 7.294 3.013 2.412) 8.252 17.035 ( -1.662 9.016 0.980) 9.220 17.538 ( -2.225 8.021 -6.652) 10.655 18.035 ( -6.034 -11.576 -8.342) 15.492 18.592 ( 0.053 -8.068 2.777) 8.532 19.018 ( -6.757 -14.118 -27.844) 31.942 19.499 ( -15.947 -20.125 36.398) 44.544 20.442 ( 7.663 6.336 -1.564) 10.065 21.475 ( 17.895 4.032 4.461) 18.878 22.062 ( -3.473 -4.227 2.971) 6.226 23.418 ( -8.401 -0.190 -3.238) 9.006 ======================= Grid point 30 (19/224) ======================= q-point: ( 0.33 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.907 ( 28.834 32.356 -4.675) 43.591 4.311 ( 22.145 21.944 16.699) 35.366 5.579 ( -21.439 0.901 -2.955) 21.660 5.753 ( -1.258 20.048 -5.480) 20.822 5.969 ( 7.799 14.458 0.594) 16.438 6.926 ( -12.664 6.672 0.858) 14.339 7.255 ( 3.027 7.665 -4.318) 9.304 8.087 ( -12.668 0.163 -1.188) 12.724 8.145 ( 37.874 19.485 -7.750) 43.291 8.587 ( -1.152 9.955 5.587) 11.473 8.761 ( 4.756 11.302 7.078) 14.158 9.587 ( 5.551 8.017 3.622) 10.402 9.938 ( 30.919 1.411 2.834) 31.080 10.108 ( 10.843 7.118 -4.564) 13.750 10.525 ( 4.563 6.476 1.692) 8.100 11.035 ( -0.681 0.970 -2.141) 2.447 11.249 ( -1.272 4.068 -2.939) 5.177 11.665 ( 6.482 -0.583 2.492) 6.969 11.819 ( 1.137 -3.258 1.387) 3.719 12.699 ( 13.723 1.892 -0.378) 13.858 13.029 ( -16.834 17.163 -0.700) 24.051 13.366 ( 18.462 -4.092 2.757) 19.110 13.555 ( 6.349 4.470 2.893) 8.286 13.944 ( 10.595 8.573 0.609) 13.642 14.688 ( 8.683 7.160 -2.552) 11.540 14.922 ( 15.773 -3.836 -0.309) 16.236 15.125 ( -2.462 26.110 -7.748) 27.346 15.208 ( -25.246 -14.553 -2.081) 29.214 15.452 ( -20.542 -26.750 -0.590) 33.733 15.596 ( -5.308 4.908 3.142) 7.883 16.048 ( 0.426 -1.402 1.414) 2.037 16.786 ( -3.431 10.037 -1.105) 10.665 17.081 ( 3.585 0.813 2.060) 4.214 17.449 ( -4.986 2.871 -3.918) 6.961 17.845 ( -7.063 -14.808 -11.052) 19.781 18.577 ( -4.005 -7.401 4.569) 9.576 18.796 ( -4.986 -8.948 -13.874) 17.246 19.248 ( -19.515 -19.154 21.650) 34.877 20.650 ( 12.467 2.661 -1.340) 12.818 21.625 ( -4.518 -2.460 1.760) 5.437 22.179 ( 13.668 1.123 6.437) 15.150 23.207 ( -10.832 0.038 -5.276) 12.048 ======================= Grid point 31 (20/224) ======================= q-point: ( 0.44 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.490 ( 29.395 18.376 -2.616) 34.764 4.851 ( 24.886 18.313 16.310) 34.939 5.091 ( -25.843 3.753 -0.118) 26.115 5.402 ( -22.874 16.148 -12.612) 30.709 6.300 ( 18.421 17.180 0.090) 25.189 6.650 ( -15.351 11.771 1.582) 19.409 7.259 ( 0.539 7.859 -3.480) 8.612 7.807 ( -9.366 8.014 0.593) 12.341 8.389 ( 2.862 1.757 0.295) 3.372 8.491 ( -4.806 0.375 -0.489) 4.845 9.613 ( 31.284 19.807 -0.657) 37.033 9.687 ( 20.158 10.324 4.816) 23.154 10.026 ( -1.393 12.820 0.310) 12.899 10.437 ( -6.268 3.566 3.413) 7.979 10.764 ( 15.858 -3.215 -1.447) 16.245 10.963 ( -5.563 10.480 -2.895) 12.213 11.135 ( -4.581 13.306 -4.173) 14.678 11.794 ( 4.490 -4.081 8.721) 10.624 11.897 ( 3.683 -0.708 -5.253) 6.454 12.522 ( -21.108 9.993 -0.103) 23.354 13.024 ( 22.145 5.539 1.148) 22.856 13.622 ( -4.039 -8.688 -0.011) 9.580 13.772 ( 10.877 -2.096 1.361) 11.161 14.206 ( 13.746 10.186 -0.017) 17.108 14.308 ( -27.991 -0.284 -0.359) 27.995 14.685 ( -17.112 9.032 -1.583) 19.414 15.048 ( 8.227 -11.047 -1.995) 13.918 15.220 ( -5.456 -23.954 0.749) 24.579 15.406 ( 10.842 15.087 1.407) 18.632 15.562 ( -3.982 17.574 -0.800) 18.038 16.320 ( 22.415 3.392 -1.136) 22.698 16.654 ( -8.119 5.628 -3.280) 10.409 16.981 ( -13.951 -2.657 4.719) 14.966 17.405 ( 2.221 -4.871 -2.181) 5.781 17.731 ( -1.067 -13.084 -5.755) 14.334 18.483 ( -4.418 -10.119 3.015) 11.446 18.736 ( 0.796 -6.310 -3.643) 7.330 18.976 ( -10.773 -14.819 7.010) 19.616 20.873 ( 8.149 -1.083 -0.732) 8.253 21.482 ( -6.615 -1.466 0.712) 6.813 22.499 ( 12.451 -0.848 5.653) 13.700 22.962 ( -10.057 2.130 -5.157) 11.501 ======================= Grid point 36 (21/224) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.963 ( 0.000 34.528 0.000) 34.528 4.131 ( 0.000 53.289 0.000) 53.289 5.765 ( 0.000 26.907 0.000) 26.907 5.866 ( 0.000 23.514 0.000) 23.514 6.555 ( 0.000 3.711 0.000) 3.711 6.781 ( 0.000 -1.292 0.000) 1.292 6.809 ( 0.000 11.144 0.000) 11.144 7.456 ( 0.000 -4.473 0.000) 4.473 7.811 ( 0.000 6.716 0.000) 6.716 8.386 ( 0.000 -7.571 0.000) 7.571 9.217 ( 0.000 -3.738 0.000) 3.738 9.474 ( 0.000 -6.252 0.000) 6.252 10.171 ( 0.000 10.895 0.000) 10.895 10.467 ( 0.000 13.647 0.000) 13.647 10.654 ( 0.000 21.754 0.000) 21.754 10.726 ( 0.000 -15.479 0.000) 15.479 10.833 ( 0.000 16.498 0.000) 16.498 11.543 ( 0.000 6.762 0.000) 6.762 12.054 ( 0.000 -1.270 0.000) 1.270 12.123 ( 0.000 8.581 0.000) 8.581 12.299 ( 0.000 2.528 0.000) 2.528 12.859 ( 0.000 1.442 0.000) 1.442 13.213 ( 0.000 -3.848 0.000) 3.848 13.245 ( 0.000 -10.065 0.000) 10.065 14.442 ( 0.000 3.265 0.000) 3.265 14.585 ( 0.000 -6.526 0.000) 6.526 15.017 ( 0.000 -11.176 0.000) 11.176 15.292 ( 0.000 -14.667 0.000) 14.667 16.231 ( 0.000 1.073 0.000) 1.073 16.311 ( 0.000 2.704 0.000) 2.704 16.526 ( 0.000 -4.892 0.000) 4.892 17.413 ( 0.000 28.705 0.000) 28.705 17.581 ( 0.000 13.681 0.000) 13.681 17.612 ( 0.000 3.774 0.000) 3.774 18.133 ( 0.000 -2.566 0.000) 2.566 18.328 ( 0.000 -7.481 0.000) 7.481 18.639 ( 0.000 -29.504 0.000) 29.504 19.634 ( 0.000 6.938 0.000) 6.938 20.749 ( 0.000 2.586 0.000) 2.586 20.750 ( 0.000 4.759 0.000) 4.759 22.007 ( 0.000 -8.951 0.000) 8.951 23.522 ( 0.000 -9.640 0.000) 9.640 ======================= Grid point 37 (22/224) ======================= q-point: ( 0.11 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.072 ( 8.480 32.631 -3.897) 33.940 4.213 ( 8.685 49.629 3.468) 50.503 5.910 ( 14.203 26.726 -3.984) 30.527 5.951 ( 7.048 20.754 2.150) 22.024 6.341 ( -16.540 -4.002 2.558) 17.208 6.902 ( 10.800 27.796 1.728) 29.871 6.958 ( 10.353 -12.139 -1.238) 16.002 7.668 ( 18.067 -1.804 -4.722) 18.761 7.815 ( 4.636 7.262 -2.717) 9.034 8.441 ( 5.815 -6.557 5.468) 10.330 9.137 ( -7.556 -2.099 -1.505) 7.986 9.494 ( 0.219 -4.793 3.990) 6.240 9.931 ( -22.978 16.312 1.501) 28.219 10.317 ( -2.763 16.108 0.603) 16.355 10.717 ( 2.703 1.155 1.619) 3.356 10.839 ( 1.429 7.521 6.567) 10.086 10.918 ( 11.134 2.876 -3.564) 12.039 11.619 ( 2.435 4.291 -2.741) 5.644 11.969 ( -4.321 4.971 -3.327) 7.379 12.125 ( 4.898 1.942 2.432) 5.803 12.493 ( 14.616 1.082 2.602) 14.885 13.002 ( 16.285 2.375 1.936) 16.571 13.257 ( 2.376 -4.122 -0.165) 4.761 13.560 ( 28.183 -4.281 -4.213) 28.816 14.311 ( -8.023 1.041 -3.206) 8.703 14.692 ( 6.049 -7.478 -1.666) 9.761 14.940 ( -4.049 -10.023 0.133) 10.811 15.362 ( 4.727 -12.949 1.475) 13.863 15.985 ( -19.921 3.259 1.181) 20.221 16.343 ( 0.762 -2.230 -0.375) 2.386 16.611 ( 5.310 0.769 -4.376) 6.923 17.017 ( -29.918 14.676 -1.393) 33.353 17.473 ( -2.737 24.604 3.449) 24.995 17.826 ( 5.197 5.921 -4.978) 9.319 17.959 ( -11.685 -5.435 -6.544) 14.453 18.359 ( 2.100 -10.603 0.715) 10.833 18.681 ( 2.775 -24.336 -5.392) 25.080 19.553 ( -10.933 5.432 15.018) 19.354 20.543 ( -4.169 5.439 -1.504) 7.016 21.128 ( 20.179 1.695 2.943) 20.463 21.979 ( -2.720 -8.380 0.751) 8.843 23.469 ( -5.037 -9.526 -0.652) 10.795 ======================= Grid point 38 (23/224) ======================= q-point: ( 0.22 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.219 ( 9.889 27.932 -9.184) 31.021 4.491 ( 15.040 40.774 10.494) 44.709 5.946 ( -18.652 -4.990 -2.397) 19.456 6.100 ( 4.977 14.787 -0.517) 15.610 6.224 ( 12.071 29.158 1.895) 31.615 7.072 ( 2.515 -4.492 -2.594) 5.764 7.239 ( 14.365 10.337 1.112) 17.732 7.874 ( 20.586 12.233 -20.930) 31.804 8.132 ( 10.580 4.574 19.190) 22.386 8.812 ( 27.512 -3.644 4.652) 28.140 8.931 ( -9.734 2.948 -2.144) 10.394 9.348 ( -12.407 7.589 1.034) 14.581 9.680 ( 1.326 8.633 3.706) 9.488 10.319 ( 1.279 13.960 0.520) 14.028 10.726 ( -1.815 9.302 0.847) 9.515 10.941 ( 6.393 0.634 4.161) 7.654 11.121 ( 8.833 -1.502 0.715) 8.988 11.562 ( -2.033 -2.805 -5.365) 6.386 11.874 ( -6.502 1.690 2.574) 7.195 12.385 ( 17.414 1.676 -0.934) 17.520 12.848 ( 18.891 -1.353 3.779) 19.313 13.295 ( 6.410 -0.171 1.713) 6.637 13.509 ( 24.622 11.223 0.059) 27.060 14.034 ( 5.257 -3.478 -3.666) 7.291 14.207 ( 10.023 -7.107 -2.875) 12.619 14.767 ( 5.186 -4.323 -4.004) 7.849 14.963 ( 5.417 -13.238 -0.959) 14.336 15.474 ( 4.158 0.811 1.714) 4.570 15.539 ( -21.088 -4.268 1.481) 21.566 16.116 ( -22.869 6.634 -4.669) 24.265 16.412 ( -26.324 10.379 -3.702) 28.537 16.766 ( 10.251 1.744 0.915) 10.438 17.394 ( -6.336 23.088 1.305) 23.977 17.697 ( -6.495 0.566 -10.036) 11.968 17.808 ( -8.663 -5.529 -4.343) 11.157 18.398 ( 1.508 -10.659 2.550) 11.063 18.663 ( -1.028 -18.619 -11.094) 21.698 19.322 ( -19.912 0.937 23.781) 31.031 20.564 ( 5.951 6.279 -1.371) 8.759 21.506 ( 13.468 -0.248 2.598) 13.718 21.942 ( 0.907 -6.820 2.182) 7.218 23.326 ( -8.549 -9.149 -1.669) 12.633 ======================= Grid point 39 (24/224) ======================= q-point: ( 0.33 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.420 ( 13.739 16.143 -6.333) 22.124 4.881 ( 19.482 34.847 10.139) 41.191 5.529 ( -21.332 -5.324 -0.246) 21.988 6.083 ( -6.006 15.519 -5.520) 17.532 6.480 ( 12.269 30.141 2.971) 32.678 7.039 ( -4.723 3.888 0.719) 6.160 7.338 ( 1.525 0.915 -8.899) 9.075 8.076 ( -2.926 -0.461 3.067) 4.264 8.466 ( 5.751 13.480 0.790) 14.677 8.728 ( -8.156 5.000 -0.583) 9.584 9.121 ( 27.494 16.202 6.867) 32.643 9.736 ( 13.358 6.528 1.634) 14.957 9.901 ( 36.426 -1.882 -0.494) 36.478 10.339 ( 0.438 13.048 -0.262) 13.058 10.675 ( -3.520 7.072 1.759) 8.093 11.112 ( 9.005 9.073 0.872) 12.813 11.237 ( 3.417 -4.439 0.249) 5.608 11.600 ( 6.521 -5.823 -2.987) 9.239 11.757 ( -3.891 -2.727 2.252) 5.258 12.695 ( 13.830 -2.656 0.553) 14.093 13.248 ( 17.850 -0.174 2.555) 18.033 13.389 ( -3.643 6.499 1.100) 7.532 13.669 ( -12.218 10.196 0.055) 15.913 14.089 ( 13.296 3.750 -1.105) 13.859 14.453 ( 4.993 -22.108 -1.438) 22.711 14.794 ( -7.605 -16.586 1.455) 18.304 14.945 ( -7.530 -2.420 -1.441) 8.039 15.246 ( -8.168 7.419 -2.789) 11.381 15.648 ( 5.593 4.341 2.033) 7.366 15.760 ( 8.207 20.312 -10.604) 24.338 16.016 ( -8.014 1.384 0.692) 8.162 16.945 ( 4.267 4.206 -0.694) 6.031 17.221 ( -10.754 13.984 1.504) 17.705 17.495 ( -17.304 -11.191 -6.932) 21.742 17.606 ( -0.060 2.661 -8.220) 8.641 18.412 ( -4.429 -8.251 7.803) 12.190 18.593 ( 0.517 -12.330 -11.226) 16.683 18.979 ( -21.640 -5.292 20.327) 30.158 20.724 ( 9.383 5.320 -1.184) 10.851 21.577 ( -4.424 -0.945 0.874) 4.608 22.132 ( 14.186 -5.794 4.283) 15.911 23.127 ( -10.156 -8.241 -2.801) 13.376 ======================= Grid point 40 (25/224) ======================= q-point: ( 0.44 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.719 ( 17.788 4.990 -2.660) 18.665 5.097 ( -19.619 -2.660 1.220) 19.836 5.334 ( 18.437 27.914 6.832) 34.143 5.831 ( -14.884 24.802 -6.437) 29.633 6.726 ( 10.692 22.370 2.553) 24.925 6.915 ( -7.703 12.787 0.343) 14.931 7.328 ( 0.789 0.078 -5.247) 5.307 7.950 ( -6.130 5.921 1.056) 8.588 8.481 ( 0.289 7.040 7.826) 10.530 8.567 ( -5.300 5.857 -5.827) 9.816 9.808 ( 12.842 2.582 1.124) 13.147 9.934 ( 20.963 12.253 0.608) 24.289 10.296 ( -0.523 13.348 -0.092) 13.359 10.473 ( -0.541 -0.662 3.890) 3.982 10.682 ( 10.398 -3.312 -2.600) 11.219 11.231 ( 3.485 9.692 -3.290) 10.812 11.335 ( 3.454 6.489 1.456) 7.494 11.664 ( 2.220 -9.196 2.836) 9.876 11.918 ( 18.586 5.265 -1.064) 19.346 12.790 ( -29.829 12.682 -1.405) 32.444 13.113 ( 17.975 5.868 1.911) 19.005 13.465 ( -1.425 -5.080 0.221) 5.280 13.638 ( 1.531 -7.486 2.148) 7.937 14.140 ( -24.335 -12.101 -1.804) 27.238 14.217 ( -0.824 -15.616 -0.879) 15.663 14.737 ( 1.300 2.264 1.142) 2.849 14.853 ( 5.753 -7.445 0.508) 9.422 15.173 ( -5.034 17.060 -3.202) 18.073 15.790 ( 8.440 16.288 4.070) 18.791 15.876 ( 4.146 10.745 -2.434) 11.772 16.350 ( 28.608 1.237 -4.955) 29.061 16.791 ( -13.703 6.993 -3.681) 15.819 16.957 ( -20.147 -2.418 3.835) 20.650 17.276 ( 0.341 -6.709 -3.066) 7.384 17.613 ( 2.074 2.999 -4.305) 5.642 18.282 ( -8.085 -9.443 6.447) 14.003 18.603 ( 1.785 -7.050 -2.917) 7.835 18.711 ( -8.604 -9.562 5.849) 14.130 20.882 ( 5.362 2.997 -0.573) 6.170 21.472 ( -4.242 1.437 0.401) 4.496 22.410 ( 9.637 -7.959 3.031) 12.861 22.923 ( -7.577 -6.291 -2.466) 10.152 ======================= Grid point 45 (26/224) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.620 ( 0.000 30.417 0.000) 30.417 5.195 ( 0.000 50.376 0.000) 50.376 6.168 ( 0.000 9.926 0.000) 9.926 6.303 ( 0.000 24.434 0.000) 24.434 6.325 ( 0.000 -24.260 0.000) 24.260 6.586 ( 0.000 -0.149 0.000) 0.149 7.208 ( 0.000 3.431 0.000) 3.431 7.336 ( 0.000 -7.808 0.000) 7.808 7.965 ( 0.000 6.999 0.000) 6.999 8.244 ( 0.000 -6.293 0.000) 6.293 9.136 ( 0.000 -3.054 0.000) 3.054 9.337 ( 0.000 -6.844 0.000) 6.844 10.387 ( 0.000 10.176 0.000) 10.176 10.619 ( 0.000 7.239 0.000) 7.239 10.690 ( 0.000 7.208 0.000) 7.208 11.052 ( 0.000 15.348 0.000) 15.348 11.176 ( 0.000 16.697 0.000) 16.697 11.708 ( 0.000 8.524 0.000) 8.524 11.976 ( 0.000 -5.402 0.000) 5.402 12.283 ( 0.000 7.456 0.000) 7.456 12.396 ( 0.000 6.179 0.000) 6.179 12.868 ( 0.000 -8.565 0.000) 8.565 12.959 ( 0.000 -8.858 0.000) 8.858 13.140 ( 0.000 -2.632 0.000) 2.632 14.281 ( 0.000 -20.112 0.000) 20.112 14.416 ( 0.000 -11.676 0.000) 11.676 14.731 ( 0.000 -7.431 0.000) 7.431 15.038 ( 0.000 -9.371 0.000) 9.371 16.358 ( 0.000 8.458 0.000) 8.458 16.480 ( 0.000 10.414 0.000) 10.414 16.534 ( 0.000 6.247 0.000) 6.247 17.464 ( 0.000 -16.324 0.000) 16.324 17.755 ( 0.000 1.373 0.000) 1.373 17.849 ( 0.000 0.656 0.000) 0.656 18.231 ( 0.000 10.333 0.000) 10.333 18.287 ( 0.000 4.927 0.000) 4.927 18.349 ( 0.000 13.264 0.000) 13.264 19.691 ( 0.000 -4.715 0.000) 4.715 20.752 ( 0.000 -1.560 0.000) 1.560 20.821 ( 0.000 1.351 0.000) 1.351 21.928 ( 0.000 4.478 0.000) 4.478 23.223 ( 0.000 -19.343 0.000) 19.343 ======================= Grid point 46 (27/224) ======================= q-point: ( 0.11 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.660 ( 2.200 26.820 -0.316) 26.912 5.238 ( 5.207 48.741 -2.708) 49.093 6.105 ( -15.030 -15.252 -1.042) 21.438 6.213 ( 4.706 9.791 0.595) 10.879 6.521 ( 17.114 26.204 1.293) 31.324 6.752 ( 12.171 -7.426 -1.801) 14.371 7.219 ( 1.639 -0.115 -0.779) 1.819 7.576 ( 21.088 -7.159 1.049) 22.295 7.994 ( 7.574 7.707 -12.357) 16.415 8.321 ( 5.424 -5.677 15.317) 17.212 9.092 ( -3.877 -1.085 -1.148) 4.186 9.376 ( 2.301 -6.478 3.020) 7.509 10.253 ( -14.795 14.439 1.556) 20.732 10.569 ( -2.943 8.708 1.037) 9.250 10.754 ( 6.940 10.720 -0.510) 12.781 11.014 ( -2.471 8.048 7.153) 11.047 11.174 ( 0.635 15.284 -1.748) 15.396 11.673 ( -6.629 1.291 -2.448) 7.184 11.955 ( -3.207 -5.493 2.150) 6.714 12.230 ( 2.204 6.042 -1.983) 6.730 12.536 ( 11.587 3.064 2.743) 12.295 12.938 ( 10.084 -12.735 -0.052) 16.244 13.199 ( 23.188 4.936 -1.045) 23.731 13.497 ( 25.400 -1.832 -3.277) 25.676 14.181 ( -7.037 -14.474 -3.903) 16.560 14.421 ( 1.707 -18.488 -0.953) 18.591 14.732 ( -0.037 -4.273 1.072) 4.405 15.071 ( 2.601 -12.970 0.494) 13.237 16.214 ( -15.438 13.717 -1.256) 20.690 16.392 ( 1.476 5.941 0.412) 6.136 16.704 ( 7.827 7.628 -4.424) 11.791 17.252 ( -26.333 7.461 0.381) 27.372 17.647 ( -0.423 -13.859 -4.914) 14.710 17.771 ( -5.760 -10.246 -7.400) 13.890 18.119 ( -8.820 21.346 -0.637) 23.105 18.283 ( 0.352 5.722 0.390) 5.746 18.419 ( -0.462 0.880 7.160) 7.228 19.603 ( -10.227 -4.140 7.051) 13.094 20.651 ( -0.527 5.381 -1.100) 5.518 21.111 ( 18.176 -3.713 2.435) 18.710 21.904 ( -2.308 4.290 0.214) 4.876 23.174 ( -4.740 -19.058 -0.034) 19.639 ======================= Grid point 47 (28/224) ======================= q-point: ( 0.22 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.666 ( -0.442 19.111 -2.056) 19.226 5.378 ( 8.366 40.107 -1.181) 40.988 5.759 ( -16.786 -9.072 -0.346) 19.084 6.348 ( 6.529 11.893 -1.670) 13.669 6.868 ( 12.592 28.140 2.554) 30.934 6.952 ( 7.696 -7.004 -1.923) 10.582 7.287 ( 6.612 -4.054 -8.088) 11.206 7.934 ( 10.642 -3.137 2.851) 11.455 8.306 ( 23.717 6.367 3.521) 24.808 8.703 ( 28.918 -7.450 7.920) 30.895 8.991 ( -3.463 4.471 -1.904) 5.968 9.390 ( -2.212 -2.584 1.684) 3.796 9.970 ( -7.844 17.574 1.735) 19.323 10.569 ( 0.967 9.395 2.566) 9.788 10.863 ( 0.361 7.233 0.192) 7.244 11.044 ( 4.992 4.807 4.736) 8.394 11.216 ( 4.283 11.499 -0.538) 12.283 11.493 ( -6.716 -1.809 -2.196) 7.294 11.850 ( -7.817 -4.508 1.134) 9.095 12.359 ( 8.938 -5.276 0.724) 10.404 12.882 ( 20.800 5.000 2.396) 21.526 13.212 ( 14.002 -6.555 1.543) 15.537 13.752 ( 28.069 11.268 -1.605) 30.289 13.845 ( 7.604 -11.598 -2.989) 14.187 14.030 ( -3.938 -10.153 -2.594) 11.195 14.619 ( 19.440 -11.377 -4.280) 22.928 14.722 ( -1.184 -5.237 0.414) 5.385 15.139 ( 3.512 -16.947 -0.073) 17.307 15.890 ( -15.516 19.849 -0.226) 25.195 16.284 ( -13.320 7.297 -3.695) 15.630 16.652 ( -27.059 12.586 -5.636) 30.371 16.851 ( 8.331 6.956 -0.861) 10.887 17.442 ( -10.822 -14.728 -9.452) 20.576 17.732 ( -4.450 -11.295 -4.559) 12.967 17.961 ( -8.129 26.990 0.581) 28.194 18.239 ( -1.619 -1.486 2.395) 3.250 18.394 ( -3.594 -7.058 4.618) 9.168 19.334 ( -20.400 -4.002 12.066) 24.037 20.730 ( 7.640 10.370 -0.828) 12.907 21.482 ( 16.211 -3.835 2.498) 16.844 21.852 ( -2.028 1.972 0.567) 2.885 23.044 ( -7.950 -18.247 -0.410) 19.907 ======================= Grid point 48 (29/224) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.671 ( 2.663 10.381 -1.997) 10.901 5.314 ( -15.652 -7.191 1.224) 17.268 5.690 ( 11.133 34.247 -2.336) 36.087 6.413 ( 0.382 16.309 -2.328) 16.479 7.010 ( 2.718 10.088 1.120) 10.508 7.052 ( 2.926 1.817 1.312) 3.685 7.372 ( 5.600 7.139 -11.218) 14.428 8.058 ( -0.780 -2.217 11.892) 12.122 8.698 ( 2.896 7.925 2.737) 8.870 8.806 ( -6.409 3.474 -0.157) 7.292 9.314 ( 25.324 4.634 3.133) 25.934 9.751 ( 40.152 -5.168 -3.959) 40.676 9.999 ( 7.653 11.219 2.333) 13.779 10.591 ( -0.561 10.951 2.826) 11.324 10.776 ( -7.169 0.489 2.145) 7.499 11.134 ( 0.808 -1.063 -2.974) 3.260 11.367 ( 5.655 -1.707 -0.551) 5.933 11.523 ( 13.677 13.344 3.210) 19.376 11.683 ( -5.494 -4.907 -0.261) 7.371 12.581 ( 13.186 -8.299 2.387) 15.762 13.272 ( 13.071 3.850 2.275) 13.815 13.406 ( 5.047 -2.489 2.194) 6.040 13.783 ( -8.094 -4.961 -2.627) 9.850 13.975 ( 1.794 -19.157 -1.436) 19.294 14.253 ( 1.606 12.648 -2.001) 12.906 14.618 ( 0.015 -0.655 1.708) 1.830 14.903 ( -4.407 -2.994 -3.388) 6.314 15.191 ( 10.535 -13.718 1.365) 17.350 15.789 ( 8.361 13.733 -2.269) 16.238 16.095 ( 6.940 9.472 -6.905) 13.622 16.182 ( -17.331 13.443 -4.660) 22.423 17.015 ( 6.025 3.396 0.354) 6.925 17.162 ( -15.527 -16.183 -10.212) 24.643 17.506 ( -15.591 3.289 -1.802) 16.036 17.767 ( -7.341 15.753 -1.100) 17.414 18.270 ( -3.669 -4.679 8.904) 10.706 18.359 ( 2.832 -8.660 -2.037) 9.336 18.920 ( -23.915 -4.743 11.484) 26.950 20.900 ( 8.669 12.402 -0.634) 15.145 21.643 ( -1.492 7.925 0.784) 8.103 21.948 ( 11.611 -11.288 2.232) 16.346 22.868 ( -8.980 -16.909 -1.040) 19.174 ======================= Grid point 49 (30/224) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.775 ( 8.323 1.722 -1.167) 8.579 5.009 ( -13.771 -5.394 0.862) 14.815 5.914 ( 8.893 27.582 -1.296) 29.009 6.358 ( -3.775 25.381 -0.657) 25.668 7.038 ( 0.723 -1.707 -1.193) 2.205 7.088 ( 0.319 7.351 1.838) 7.584 7.429 ( 2.870 14.475 -4.169) 15.334 8.034 ( -3.285 1.524 4.859) 6.059 8.644 ( -3.024 7.865 5.733) 10.192 8.694 ( -3.285 5.929 -4.173) 7.960 9.843 ( 16.793 3.040 -1.703) 17.151 10.173 ( 13.045 10.861 3.618) 17.356 10.401 ( 12.629 -4.847 -0.672) 13.544 10.509 ( -8.694 3.791 1.082) 9.546 10.695 ( 1.642 6.741 -1.482) 7.094 11.189 ( 7.927 -7.566 0.334) 10.963 11.371 ( -4.033 -11.892 -3.689) 13.088 11.461 ( -7.169 -5.157 2.751) 9.250 12.188 ( 37.561 18.815 2.368) 42.077 12.855 ( 2.883 -3.760 1.093) 4.863 13.284 ( -6.409 4.036 -0.353) 7.582 13.492 ( -1.362 3.268 0.538) 3.581 13.565 ( -9.129 5.100 0.850) 10.492 13.849 ( -12.857 -14.963 -1.198) 19.765 13.895 ( -11.559 -8.685 -0.773) 14.478 14.613 ( -10.314 -8.594 -1.131) 13.473 14.968 ( 19.582 9.629 1.656) 21.884 15.466 ( 2.689 6.380 -1.432) 7.070 15.911 ( 0.967 1.052 0.690) 1.586 16.126 ( 17.731 14.717 -1.178) 23.073 16.420 ( 14.811 2.321 -4.414) 15.628 16.734 ( -18.058 -10.673 -5.491) 21.683 17.017 ( -9.550 8.404 -1.073) 12.767 17.214 ( -6.263 -0.054 0.895) 6.327 17.741 ( 4.181 6.984 -3.980) 9.060 18.112 ( -12.371 -6.535 8.483) 16.362 18.453 ( 4.794 -6.420 0.550) 8.031 18.582 ( -10.794 -5.514 2.467) 12.370 21.035 ( 4.089 12.476 -0.270) 13.132 21.584 ( -2.507 10.331 0.220) 10.634 22.174 ( 7.520 -15.004 1.503) 16.850 22.703 ( -5.768 -15.027 -0.970) 16.125 ======================= Grid point 54 (31/224) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.221 ( 0.000 28.612 0.000) 28.612 5.791 ( 0.000 -27.092 0.000) 27.092 6.155 ( 0.000 41.558 0.000) 41.558 6.350 ( 0.000 7.198 0.000) 7.198 6.505 ( 0.000 -2.143 0.000) 2.143 6.794 ( 0.000 19.011 0.000) 19.011 6.936 ( 0.000 -27.457 0.000) 27.457 7.126 ( 0.000 -13.138 0.000) 13.138 8.055 ( 0.000 3.057 0.000) 3.057 8.131 ( 0.000 -4.622 0.000) 4.622 9.129 ( 0.000 2.216 0.000) 2.216 9.209 ( 0.000 -5.318 0.000) 5.318 10.579 ( 0.000 8.244 0.000) 8.244 10.699 ( 0.000 -2.686 0.000) 2.686 10.976 ( 0.000 18.796 0.000) 18.796 11.208 ( 0.000 -1.571 0.000) 1.571 11.497 ( 0.000 14.327 0.000) 14.327 11.742 ( 0.000 -8.598 0.000) 8.598 12.010 ( 0.000 13.254 0.000) 13.254 12.375 ( 0.000 -11.366 0.000) 11.366 12.480 ( 0.000 -6.658 0.000) 6.658 12.495 ( 0.000 1.818 0.000) 1.818 13.028 ( 0.000 6.563 0.000) 6.563 13.115 ( 0.000 -0.965 0.000) 0.965 13.937 ( 0.000 -8.848 0.000) 8.848 14.042 ( 0.000 -17.039 0.000) 17.039 14.755 ( 0.000 5.100 0.000) 5.100 14.879 ( 0.000 -6.789 0.000) 6.789 16.583 ( 0.000 12.154 0.000) 12.154 16.648 ( 0.000 4.421 0.000) 4.421 16.696 ( 0.000 9.043 0.000) 9.043 17.039 ( 0.000 -21.901 0.000) 21.901 17.708 ( 0.000 -2.720 0.000) 2.720 17.725 ( 0.000 -4.995 0.000) 4.995 18.428 ( 0.000 6.261 0.000) 6.261 18.433 ( 0.000 5.502 0.000) 5.502 18.879 ( 0.000 29.089 0.000) 29.089 19.411 ( 0.000 -21.440 0.000) 21.440 20.728 ( 0.000 0.294 0.000) 0.294 20.780 ( 0.000 -4.021 0.000) 4.021 22.234 ( 0.000 23.167 0.000) 23.167 22.755 ( 0.000 -25.666 0.000) 25.666 ======================= Grid point 55 (32/224) ======================= q-point: ( 0.11 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.188 ( -4.392 25.076 -0.249) 25.459 5.677 ( -11.053 -21.882 -0.384) 24.518 6.192 ( 4.480 40.460 -4.769) 40.985 6.411 ( 6.932 8.901 0.045) 11.282 6.595 ( 8.773 -6.873 -0.175) 11.146 6.927 ( 0.432 -25.851 -5.755) 26.487 7.020 ( 20.506 19.892 -0.051) 28.569 7.368 ( 21.514 -13.493 1.014) 25.416 8.097 ( 5.906 3.909 -1.435) 7.226 8.196 ( 5.080 -5.940 11.009) 13.501 9.128 ( -0.214 4.248 0.196) 4.258 9.241 ( 2.221 -6.412 1.703) 6.996 10.509 ( -7.773 10.670 2.463) 13.429 10.661 ( -3.455 -2.639 1.723) 4.676 11.025 ( 1.823 13.927 0.942) 14.077 11.172 ( -2.291 2.559 3.243) 4.724 11.455 ( -3.768 12.866 -4.322) 14.086 11.685 ( -3.428 -5.012 -4.014) 7.279 11.872 ( -9.643 5.834 6.526) 13.023 12.174 ( -9.126 -14.393 3.858) 17.474 12.615 ( 14.640 4.641 0.006) 15.358 12.709 ( 16.312 -5.829 -1.648) 17.400 13.388 ( 30.287 10.867 -2.731) 32.293 13.497 ( 26.642 1.223 -2.645) 26.801 13.875 ( -4.696 -9.914 -2.433) 11.236 14.003 ( -0.547 -18.965 -0.665) 18.985 14.751 ( -0.673 4.086 0.238) 4.147 14.868 ( -0.974 -7.388 -0.099) 7.453 16.447 ( -8.926 8.881 -3.642) 13.107 16.523 ( -5.318 3.064 -2.000) 6.455 16.891 ( 10.671 11.182 -1.009) 15.490 17.177 ( 7.828 -15.015 2.758) 17.157 17.468 ( -19.323 0.129 -6.756) 20.471 17.547 ( -15.589 -7.575 -6.020) 18.348 18.344 ( -5.699 3.814 3.016) 7.492 18.376 ( -6.743 2.271 2.683) 7.604 18.819 ( -7.462 28.119 3.141) 29.261 19.339 ( -8.589 -20.788 3.893) 22.827 20.778 ( 7.281 7.727 -0.138) 10.618 20.965 ( 14.210 -9.584 1.256) 17.186 22.201 ( -3.202 22.652 0.433) 22.882 22.713 ( -4.125 -25.256 0.363) 25.593 ======================= Grid point 56 (33/224) ======================= q-point: ( 0.22 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.042 ( -8.792 17.979 -0.805) 20.029 5.397 ( -15.366 -16.290 -0.118) 22.394 6.278 ( 6.247 37.113 -7.552) 38.385 6.586 ( 8.917 11.366 -0.615) 14.460 6.782 ( 8.002 -10.063 -3.270) 13.266 6.926 ( 3.313 -21.590 -6.927) 22.915 7.461 ( 17.816 19.866 2.539) 26.805 7.787 ( 12.732 -11.533 8.273) 19.067 8.387 ( 23.957 4.276 2.861) 24.504 8.524 ( 26.051 -8.786 6.963) 28.361 9.128 ( 1.663 8.008 -0.583) 8.199 9.286 ( 2.199 -6.927 0.752) 7.306 10.328 ( -8.372 16.690 2.370) 18.822 10.610 ( -2.385 -8.627 2.665) 9.339 10.960 ( -7.008 9.355 3.171) 12.111 11.178 ( -1.354 -7.684 1.543) 7.954 11.366 ( -1.006 15.352 -6.987) 16.897 11.642 ( -0.808 -4.219 -2.801) 5.129 11.762 ( -2.121 12.893 6.737) 14.701 12.142 ( 4.037 -16.240 4.095) 17.228 13.013 ( 22.751 6.275 1.035) 23.624 13.105 ( 20.483 -3.427 1.203) 20.803 13.660 ( -2.875 -3.203 -2.356) 4.907 13.756 ( -6.062 -9.839 -1.960) 11.722 14.048 ( 31.043 11.837 -2.173) 33.295 14.322 ( 27.990 -14.851 -2.560) 31.789 14.737 ( 0.101 4.226 -1.218) 4.399 14.872 ( 2.910 -9.323 -1.957) 9.960 16.230 ( -12.613 12.321 -2.067) 17.753 16.363 ( -11.378 -0.590 -2.903) 11.758 16.899 ( -24.031 11.382 -6.040) 27.268 17.057 ( 4.036 12.675 -3.170) 13.674 17.149 ( -14.243 -12.461 -6.816) 20.115 17.392 ( 3.734 -18.025 -3.101) 18.667 18.252 ( -5.015 1.010 3.556) 6.230 18.263 ( -3.446 -0.448 1.844) 3.934 18.593 ( -16.529 26.545 6.169) 31.873 19.087 ( -18.490 -19.612 7.008) 27.851 20.985 ( 12.080 14.326 0.144) 18.740 21.285 ( 16.066 -13.864 1.451) 21.270 22.116 ( -5.283 21.325 0.543) 21.976 22.602 ( -6.828 -24.121 0.360) 25.072 ======================= Grid point 57 (34/224) ======================= q-point: ( 0.33 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.882 ( -6.032 10.590 -0.734) 12.209 5.106 ( -13.038 -11.163 0.121) 17.164 6.368 ( 5.620 28.992 -8.165) 30.640 6.719 ( 3.524 9.666 1.282) 10.368 6.854 ( 4.305 -9.823 -9.418) 14.273 7.026 ( 6.310 -10.252 -1.708) 12.159 7.685 ( 5.251 16.530 4.158) 17.835 7.947 ( 1.367 -9.081 12.228) 15.293 8.797 ( 5.011 4.114 3.983) 7.609 8.860 ( -1.622 -0.393 4.451) 4.754 9.422 ( 29.501 7.348 -2.291) 30.488 9.599 ( 36.172 -8.928 -4.957) 37.586 10.274 ( 1.669 15.051 3.106) 15.458 10.586 ( -1.231 -14.256 3.210) 14.664 10.841 ( -5.319 12.782 2.117) 14.005 11.128 ( -2.943 -14.183 -0.066) 14.485 11.287 ( -5.681 11.694 -4.352) 13.709 11.521 ( -8.885 -9.987 -1.627) 13.466 11.982 ( 20.533 22.262 4.763) 30.658 12.357 ( 15.599 -14.155 3.885) 21.419 13.372 ( 3.246 3.423 2.518) 5.348 13.398 ( 11.968 4.255 2.053) 12.867 13.618 ( 0.813 -10.009 -2.684) 10.394 13.636 ( -4.795 -9.736 -1.323) 10.933 14.560 ( 7.527 13.916 -3.014) 16.105 14.685 ( 4.221 6.268 0.861) 7.606 14.794 ( 3.153 -8.011 -3.698) 9.370 14.888 ( 8.632 -13.044 1.259) 15.692 16.066 ( 5.262 11.204 -3.650) 12.905 16.195 ( 5.010 -0.668 -5.631) 7.567 16.468 ( -17.898 15.008 -6.104) 24.142 16.795 ( -16.115 -16.832 -6.978) 24.325 17.161 ( 2.832 8.675 -2.287) 9.408 17.374 ( -3.862 -10.985 -3.022) 12.029 18.142 ( -12.547 9.843 2.451) 16.134 18.217 ( -6.860 -2.551 5.897) 9.399 18.322 ( -3.879 12.685 4.149) 13.899 18.699 ( -20.850 -16.783 6.685) 27.588 21.219 ( 10.416 17.925 0.219) 20.733 21.586 ( 12.882 -16.454 1.357) 20.941 22.007 ( -5.471 19.396 0.334) 20.155 22.457 ( -7.381 -22.454 -0.005) 23.636 ======================= Grid point 58 (35/224) ======================= q-point: ( 0.44 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.819 ( 0.207 2.935 -0.432) 2.974 4.899 ( -7.228 -4.893 0.255) 8.732 6.425 ( 2.261 21.876 -3.720) 22.305 6.747 ( 0.159 -0.207 0.014) 0.262 6.910 ( 2.848 4.080 -3.358) 6.003 7.112 ( 2.430 -5.684 -0.704) 6.221 7.762 ( 1.554 14.592 2.269) 14.849 7.983 ( -0.728 -6.789 5.563) 8.807 8.768 ( -3.204 3.735 1.316) 5.094 8.783 ( -3.292 2.218 0.854) 4.061 9.984 ( 19.754 10.694 -3.710) 22.767 10.228 ( 19.068 -11.471 -3.527) 22.531 10.376 ( 6.249 9.898 6.873) 13.574 10.551 ( -5.106 -3.041 1.393) 6.104 10.817 ( 4.513 5.688 1.978) 7.526 11.034 ( -8.004 -12.352 -4.388) 15.359 11.167 ( -1.334 3.265 -0.485) 3.560 11.328 ( -8.525 -8.557 0.099) 12.079 12.538 ( 29.125 13.616 2.936) 32.284 12.741 ( 16.040 -7.130 2.369) 17.713 13.347 ( -3.998 4.243 -0.153) 5.832 13.460 ( -7.024 -3.992 1.278) 8.180 13.569 ( 0.082 -4.224 -1.372) 4.442 13.598 ( -2.281 -6.089 -0.201) 6.505 14.085 ( -24.489 17.979 -1.366) 30.411 14.407 ( -18.494 -12.601 -1.519) 22.430 15.165 ( 23.484 10.100 1.324) 25.598 15.382 ( 22.255 -10.248 1.157) 24.529 16.053 ( -15.954 11.125 -1.080) 19.480 16.303 ( -14.805 -12.045 -1.296) 19.130 16.414 ( 20.017 12.244 -5.197) 24.033 16.588 ( 12.842 -5.152 -7.810) 15.889 17.147 ( -4.506 4.367 -0.475) 6.292 17.213 ( -10.286 -1.602 0.532) 10.423 17.897 ( -5.363 8.321 0.744) 9.927 18.019 ( -13.739 -3.623 7.163) 15.912 18.365 ( 2.969 -1.278 1.155) 3.432 18.440 ( -5.942 -7.516 0.585) 9.598 21.376 ( 4.547 19.887 0.119) 20.401 21.781 ( 5.177 -14.626 0.670) 15.530 21.924 ( -2.073 13.868 0.103) 14.022 22.331 ( -4.201 -20.564 -0.200) 20.990 ======================= Grid point 117 (36/224) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -5.247 0.000 37.104) 37.473 0.960 ( 0.037 0.000 45.156) 45.156 1.886 ( -1.367 0.000 90.002) 90.013 4.409 ( 1.473 0.000 -14.326) 14.402 5.483 ( 1.134 0.000 -19.574) 19.606 6.152 ( -0.367 0.000 9.487) 9.494 7.228 ( -5.479 0.000 3.788) 6.661 7.474 ( 3.636 0.000 3.371) 4.958 7.930 ( -4.077 0.000 -3.229) 5.201 8.867 ( 1.850 0.000 -2.300) 2.951 9.210 ( 6.790 0.000 0.380) 6.800 9.476 ( 25.523 0.000 -2.762) 25.673 9.706 ( -7.679 0.000 0.991) 7.743 9.923 ( -22.057 0.000 -1.751) 22.126 10.133 ( 20.783 0.000 1.011) 20.808 10.280 ( -11.967 0.000 -5.520) 13.179 10.562 ( -9.500 0.000 -48.923) 49.837 11.280 ( -4.528 0.000 2.424) 5.137 11.569 ( 0.097 0.000 2.943) 2.945 12.161 ( -0.207 0.000 -2.688) 2.696 12.595 ( 2.021 0.000 36.766) 36.822 12.906 ( -7.376 0.000 3.290) 8.077 13.235 ( -0.020 0.000 -1.185) 1.185 13.248 ( -4.992 0.000 -0.560) 5.023 13.848 ( 0.630 0.000 0.172) 0.653 14.183 ( 1.191 0.000 2.063) 2.382 14.248 ( 2.077 0.000 -0.843) 2.242 15.510 ( 0.591 0.000 -0.473) 0.757 15.621 ( 0.006 0.000 0.038) 0.038 15.879 ( 1.757 0.000 -1.183) 2.118 16.787 ( 13.894 0.000 -1.531) 13.978 17.207 ( -19.134 0.000 5.661) 19.954 18.426 ( -0.588 0.000 -5.262) 5.295 18.634 ( -4.126 0.000 -2.351) 4.749 18.764 ( 9.741 0.000 0.953) 9.788 18.845 ( 0.029 0.000 -0.004) 0.029 18.953 ( -0.042 0.000 0.005) 0.042 19.305 ( -33.552 0.000 -9.480) 34.865 19.649 ( 41.424 0.000 2.258) 41.486 21.011 ( 0.498 0.000 8.457) 8.472 22.172 ( -0.006 0.000 -0.031) 0.032 24.456 ( -0.668 0.000 -1.053) 1.247 ======================= Grid point 118 (37/224) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 40.930 0.000 30.730) 51.182 1.981 ( 46.568 0.000 40.987) 62.037 2.557 ( 54.539 0.000 56.202) 78.314 4.701 ( 26.633 0.000 -22.754) 35.030 5.446 ( 3.083 0.000 -20.094) 20.329 6.152 ( -3.304 0.000 9.043) 9.628 7.042 ( -14.783 0.000 -1.589) 14.869 7.722 ( -13.276 0.000 -3.674) 13.775 7.853 ( 29.828 0.000 6.131) 30.452 8.796 ( -9.927 0.000 -0.837) 9.962 9.294 ( -9.089 0.000 0.140) 9.090 9.425 ( -12.383 0.000 2.389) 12.611 9.561 ( -9.685 0.000 -0.464) 9.696 9.628 ( -28.951 0.000 -17.769) 33.969 9.647 ( 4.530 0.000 -5.183) 6.884 10.526 ( 19.942 0.000 -4.119) 20.363 10.652 ( 25.078 0.000 1.291) 25.111 11.372 ( 10.739 0.000 1.664) 10.867 11.551 ( -2.939 0.000 3.471) 4.548 12.282 ( 10.689 0.000 3.193) 11.155 12.379 ( -7.390 0.000 26.450) 27.463 13.016 ( 9.053 0.000 6.720) 11.274 13.193 ( -3.623 0.000 -1.357) 3.869 13.266 ( 7.282 0.000 -3.636) 8.139 13.705 ( -9.653 0.000 -0.824) 9.688 14.297 ( 8.789 0.000 1.331) 8.889 15.392 ( 27.124 0.000 -14.357) 30.689 15.590 ( 26.184 0.000 -14.426) 29.895 15.648 ( 2.623 0.000 0.044) 2.624 15.851 ( -3.564 0.000 -0.048) 3.565 16.744 ( -14.246 0.000 7.764) 16.224 17.139 ( 7.890 0.000 -3.960) 8.828 18.239 ( -27.382 0.000 -2.920) 27.537 18.344 ( -26.634 0.000 0.005) 26.634 18.381 ( -8.863 0.000 -6.742) 11.136 18.724 ( -10.705 0.000 -0.659) 10.726 19.146 ( 14.204 0.000 -28.924) 32.223 19.466 ( 27.915 0.000 -0.009) 27.915 20.475 ( 38.191 0.000 1.698) 38.229 21.094 ( 2.059 0.000 8.904) 9.139 22.128 ( -4.385 0.000 -0.035) 4.385 23.877 ( -41.484 0.000 12.391) 43.295 ======================= Grid point 119 (38/224) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 46.999 0.000 20.611) 51.320 2.766 ( 24.895 0.000 59.699) 64.682 4.124 ( 63.625 0.000 15.614) 65.512 5.305 ( 48.347 0.000 -14.900) 50.591 5.429 ( 2.335 0.000 -18.779) 18.924 6.104 ( -4.259 0.000 7.437) 8.570 6.628 ( -23.593 0.000 -5.365) 24.195 7.376 ( -18.580 0.000 -2.926) 18.809 8.390 ( -28.403 0.000 -0.659) 28.411 8.529 ( 25.233 0.000 -2.465) 25.353 9.042 ( -6.795 0.000 -4.146) 7.959 9.252 ( -5.734 0.000 -9.550) 11.139 9.340 ( -4.866 0.000 5.319) 7.209 9.522 ( 16.998 0.000 -4.911) 17.693 9.863 ( 16.061 0.000 -3.952) 16.540 10.758 ( 1.353 0.000 -2.464) 2.811 11.090 ( 15.958 0.000 0.866) 15.982 11.508 ( -0.652 0.000 3.702) 3.759 11.701 ( 18.674 0.000 4.115) 19.122 12.392 ( 1.356 0.000 22.503) 22.544 12.640 ( 20.021 0.000 -4.845) 20.599 13.067 ( -13.405 0.000 2.399) 13.618 13.083 ( -6.751 0.000 -1.470) 6.909 13.415 ( 10.486 0.000 2.683) 10.824 13.687 ( 10.857 0.000 -3.355) 11.364 14.504 ( 11.074 0.000 1.746) 11.211 15.347 ( -11.738 0.000 2.438) 11.989 15.723 ( 4.835 0.000 0.042) 4.835 15.755 ( -0.946 0.000 -0.035) 0.947 16.130 ( 15.834 0.000 -5.670) 16.818 16.544 ( -11.751 0.000 2.891) 12.102 17.149 ( -6.547 0.000 -3.893) 7.617 17.703 ( -13.411 0.000 -0.388) 13.417 17.841 ( -23.348 0.000 0.011) 23.348 18.251 ( -3.245 0.000 -10.235) 10.737 18.568 ( -6.422 0.000 0.456) 6.438 19.126 ( -3.505 0.000 -23.918) 24.174 20.011 ( 26.324 0.000 -0.010) 26.324 20.939 ( -9.237 0.000 13.526) 16.380 21.289 ( 27.371 0.000 5.292) 27.878 21.998 ( -8.529 0.000 -0.031) 8.529 23.171 ( -29.640 0.000 -4.770) 30.021 ======================= Grid point 120 (39/224) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.554 ( 31.407 0.000 49.274) 58.432 3.615 ( 43.369 0.000 14.623) 45.768 4.789 ( 2.135 0.000 0.683) 2.242 5.335 ( -7.069 0.000 -12.764) 14.591 6.082 ( 1.222 0.000 2.360) 2.658 6.111 ( -6.504 0.000 -0.847) 6.559 6.711 ( 66.281 0.000 -6.543) 66.603 6.997 ( -11.995 0.000 -3.036) 12.373 7.795 ( -28.445 0.000 -0.577) 28.451 8.676 ( 4.216 0.000 -22.561) 22.951 8.941 ( -2.748 0.000 -3.561) 4.498 9.191 ( -0.643 0.000 2.594) 2.672 9.267 ( -3.704 0.000 1.813) 4.124 10.195 ( 17.492 0.000 -1.343) 17.543 10.303 ( 37.215 0.000 2.722) 37.315 10.567 ( -6.475 0.000 -4.200) 7.718 11.169 ( -6.653 0.000 3.611) 7.570 11.675 ( 13.736 0.000 0.853) 13.763 11.995 ( 5.479 0.000 10.991) 12.281 12.584 ( 6.880 0.000 10.400) 12.470 12.617 ( -17.630 0.000 -2.039) 17.747 12.922 ( -8.246 0.000 -1.432) 8.370 13.075 ( 17.550 0.000 -3.041) 17.812 13.654 ( 9.298 0.000 1.877) 9.486 13.873 ( 6.185 0.000 -1.113) 6.284 14.683 ( 1.079 0.000 1.951) 2.230 15.150 ( -3.188 0.000 2.275) 3.916 15.784 ( 1.536 0.000 2.595) 3.015 15.832 ( 5.656 0.000 0.031) 5.656 16.013 ( -30.573 0.000 6.187) 31.192 16.357 ( 5.684 0.000 -3.845) 6.862 17.147 ( 6.425 0.000 -1.357) 6.566 17.429 ( -17.338 0.000 0.019) 17.338 17.622 ( -0.850 0.000 1.444) 1.675 18.176 ( 0.575 0.000 -11.685) 11.699 18.482 ( -1.087 0.000 0.675) 1.279 18.916 ( -7.659 0.000 -12.589) 14.736 20.506 ( 22.849 0.000 -0.007) 22.849 20.558 ( -31.998 0.000 25.141) 40.693 21.792 ( -11.787 0.000 -0.018) 11.787 21.888 ( 28.093 0.000 1.330) 28.125 22.652 ( -17.575 0.000 -22.742) 28.741 ======================= Grid point 121 (40/224) ======================= q-point: ( 0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.335 ( -9.913 0.000 10.848) 14.695 4.408 ( 23.673 0.000 10.320) 25.825 4.408 ( 7.283 0.000 24.283) 25.352 5.029 ( -16.532 0.000 -4.280) 17.077 6.172 ( 10.126 0.000 -0.179) 10.128 6.174 ( 6.157 0.000 -1.720) 6.393 6.611 ( -12.497 0.000 -0.954) 12.533 7.343 ( -13.712 0.000 -0.158) 13.712 8.003 ( 39.451 0.000 -22.967) 45.649 8.889 ( -1.082 0.000 -3.978) 4.123 8.890 ( 34.609 0.000 -6.255) 35.170 9.209 ( -2.305 0.000 -0.354) 2.332 9.229 ( 5.024 0.000 -0.109) 5.025 9.689 ( -54.554 0.000 1.388) 54.571 10.532 ( 15.987 0.000 0.243) 15.989 10.987 ( -11.907 0.000 5.208) 12.997 11.418 ( 38.136 0.000 2.285) 38.204 11.901 ( 6.442 0.000 -1.080) 6.532 12.027 ( -4.638 0.000 7.191) 8.557 12.348 ( -6.334 0.000 5.730) 8.541 12.632 ( -8.123 0.000 0.303) 8.129 12.778 ( -4.193 0.000 -0.968) 4.303 13.279 ( 4.644 0.000 -0.296) 4.654 13.840 ( 9.845 0.000 -0.983) 9.894 13.980 ( 6.673 0.000 0.598) 6.699 14.506 ( -15.989 0.000 0.904) 16.015 15.159 ( -3.614 0.000 -1.421) 3.883 15.545 ( -8.929 0.000 9.573) 13.091 15.877 ( 1.721 0.000 -0.374) 1.762 15.926 ( 2.921 0.000 0.015) 2.921 16.450 ( 3.962 0.000 -2.982) 4.959 17.178 ( -6.926 0.000 0.027) 6.926 17.228 ( 0.071 0.000 1.635) 1.636 17.601 ( -1.486 0.000 -0.167) 1.496 18.173 ( 3.130 0.000 -11.277) 11.704 18.596 ( 12.675 0.000 3.296) 13.096 18.817 ( 2.827 0.000 -2.799) 3.978 19.984 ( -32.914 0.000 26.062) 41.983 20.889 ( 13.332 0.000 -0.005) 13.332 21.558 ( -9.568 0.000 0.001) 9.568 22.242 ( -14.146 0.000 -27.579) 30.995 22.399 ( 22.742 0.000 -1.588) 22.797 ======================= Grid point 122 (41/224) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.503 ( -46.696 0.000 6.147) 47.099 4.217 ( -36.532 0.000 0.000) 36.532 5.016 ( 13.654 0.000 22.678) 26.471 5.157 ( 19.996 0.000 1.344) 20.041 6.205 ( -3.830 0.000 -0.613) 3.879 6.235 ( 1.864 0.000 2.649) 3.240 6.680 ( 15.071 0.000 4.378) 15.694 7.361 ( 15.755 0.000 0.479) 15.762 8.228 ( 6.898 0.000 -33.252) 33.960 8.385 ( -71.283 0.000 -1.142) 71.292 8.867 ( 0.744 0.000 -4.851) 4.907 9.173 ( -0.950 0.000 -1.354) 1.654 9.233 ( 2.266 0.000 -1.006) 2.479 9.965 ( 48.479 0.000 6.184) 48.871 10.694 ( -10.195 0.000 5.120) 11.408 10.885 ( 9.512 0.000 2.316) 9.790 11.436 ( -41.287 0.000 2.754) 41.379 11.805 ( -5.711 0.000 1.314) 5.860 11.863 ( -9.162 0.000 -2.514) 9.500 12.373 ( 6.075 0.000 5.631) 8.284 12.692 ( 4.026 0.000 2.445) 4.711 12.795 ( 5.764 0.000 -0.375) 5.776 13.446 ( 11.598 0.000 5.808) 12.971 13.822 ( -11.358 0.000 -1.331) 11.436 13.950 ( -12.469 0.000 -1.497) 12.558 14.428 ( 12.958 0.000 -1.266) 13.020 15.084 ( -1.336 0.000 -0.837) 1.577 15.596 ( 8.094 0.000 8.087) 11.441 15.791 ( -8.773 0.000 -4.104) 9.685 15.926 ( -2.957 0.000 0.003) 2.957 16.484 ( -0.444 0.000 -0.179) 0.479 17.178 ( 6.926 0.000 0.032) 6.926 17.185 ( -3.176 0.000 -1.040) 3.341 17.595 ( 1.958 0.000 0.449) 2.009 18.203 ( 3.498 0.000 -5.781) 6.757 18.868 ( 10.024 0.000 -8.077) 12.873 19.115 ( 25.198 0.000 16.688) 30.223 19.555 ( -16.611 0.000 18.029) 24.515 20.889 ( -13.319 0.000 -0.003) 13.319 21.558 ( 9.593 0.000 0.013) 9.593 21.832 ( -16.660 0.000 -25.084) 30.113 22.786 ( 17.307 0.000 -5.291) 18.097 ======================= Grid point 123 (42/224) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( -45.657 0.000 20.929) 50.226 3.354 ( -48.523 0.000 4.011) 48.689 4.936 ( -25.683 0.000 3.742) 25.954 5.486 ( 12.948 0.000 -6.009) 14.274 6.081 ( -6.636 0.000 2.553) 7.110 6.452 ( -7.155 0.000 12.497) 14.400 6.902 ( -26.481 0.000 1.960) 26.553 7.098 ( -1.128 0.000 3.270) 3.459 7.853 ( 29.379 0.000 1.570) 29.421 8.246 ( 5.818 0.000 -28.677) 29.261 8.887 ( 3.841 0.000 -5.911) 7.049 9.163 ( 0.479 0.000 -0.999) 1.108 9.230 ( -2.094 0.000 -5.763) 6.132 10.269 ( -40.188 0.000 0.748) 40.194 10.440 ( -15.114 0.000 6.790) 16.570 10.861 ( 10.210 0.000 5.281) 11.495 11.101 ( 7.637 0.000 1.419) 7.768 11.583 ( -15.351 0.000 -2.654) 15.579 11.780 ( -0.130 0.000 7.313) 7.314 12.409 ( -19.902 0.000 1.569) 19.964 12.693 ( 15.213 0.000 1.494) 15.286 12.949 ( 8.531 0.000 -0.461) 8.544 13.247 ( -25.410 0.000 0.568) 25.416 13.636 ( -12.878 0.000 4.211) 13.549 13.951 ( 5.742 0.000 0.995) 5.827 14.594 ( 0.533 0.000 -1.026) 1.156 15.068 ( 1.153 0.000 0.320) 1.197 15.623 ( -1.045 0.000 -4.353) 4.476 15.831 ( -5.675 0.000 0.004) 5.675 15.947 ( 18.177 0.000 3.648) 18.539 16.477 ( 2.698 0.000 3.327) 4.283 17.127 ( 1.081 0.000 -4.828) 4.948 17.429 ( 17.330 0.000 0.028) 17.330 17.696 ( 5.970 0.000 5.521) 8.132 18.268 ( 4.801 0.000 -2.939) 5.630 18.912 ( -3.889 0.000 3.065) 4.952 19.503 ( 7.191 0.000 -6.735) 9.853 19.789 ( 31.377 0.000 19.852) 37.129 20.506 ( -22.837 0.000 0.005) 22.837 21.367 ( -20.706 0.000 -19.381) 28.361 21.793 ( 11.799 0.000 0.007) 11.799 23.051 ( 12.427 0.000 -8.612) 15.120 ======================= Grid point 124 (43/224) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -35.948 0.000 46.408) 58.702 2.360 ( -52.857 0.000 10.750) 53.939 3.979 ( -73.728 0.000 5.647) 73.944 5.521 ( -40.767 0.000 -9.620) 41.887 5.606 ( 3.435 0.000 -15.316) 15.696 6.027 ( -0.415 0.000 8.761) 8.771 7.077 ( 11.015 0.000 14.238) 18.001 7.480 ( 23.400 0.000 0.644) 23.409 8.149 ( -11.352 0.000 -16.401) 19.947 8.424 ( 24.305 0.000 0.667) 24.314 8.991 ( 9.094 0.000 -7.060) 11.513 9.020 ( -13.155 0.000 -7.765) 15.276 9.206 ( 5.661 0.000 1.722) 5.917 9.677 ( -5.763 0.000 -3.134) 6.560 10.168 ( -14.587 0.000 6.856) 16.118 10.974 ( -4.860 0.000 4.731) 6.782 11.006 ( -18.714 0.000 -2.583) 18.891 11.434 ( 2.777 0.000 1.309) 3.070 11.790 ( -11.149 0.000 8.475) 14.004 11.959 ( -12.634 0.000 6.923) 14.406 12.734 ( -23.027 0.000 -2.311) 23.143 13.034 ( 6.994 0.000 1.972) 7.267 13.103 ( 6.746 0.000 -0.726) 6.785 13.430 ( -2.323 0.000 3.755) 4.415 13.843 ( -15.007 0.000 1.797) 15.115 14.467 ( -9.463 0.000 0.432) 9.473 15.224 ( 12.531 0.000 -2.366) 12.752 15.683 ( 5.626 0.000 -1.641) 5.861 15.723 ( -4.838 0.000 0.013) 4.838 16.171 ( 7.597 0.000 2.595) 8.028 16.504 ( -7.538 0.000 -7.589) 10.696 17.416 ( 24.569 0.000 4.111) 24.911 17.841 ( 23.337 0.000 0.019) 23.337 17.851 ( 9.973 0.000 7.860) 12.698 18.370 ( 6.782 0.000 -4.381) 8.074 18.817 ( -6.092 0.000 5.143) 7.972 19.594 ( 5.312 0.000 -31.237) 31.686 20.011 ( -26.323 0.000 0.006) 26.323 20.375 ( 11.209 0.000 7.916) 13.722 20.917 ( -12.426 0.000 -2.038) 12.592 21.998 ( 8.530 0.000 -0.005) 8.530 23.260 ( 13.498 0.000 -2.922) 13.811 ======================= Grid point 125 (44/224) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -47.729 0.000 25.214) 53.980 1.604 ( -22.433 0.000 67.276) 70.918 2.281 ( -90.222 0.000 23.828) 93.316 4.851 ( -25.277 0.000 -23.851) 34.753 5.554 ( -0.234 0.000 -18.479) 18.481 6.094 ( 1.927 0.000 9.863) 10.050 7.247 ( 2.249 0.000 7.745) 8.065 7.679 ( -23.167 0.000 -1.527) 23.217 7.868 ( 11.998 0.000 0.286) 12.002 8.756 ( 10.282 0.000 -2.023) 10.479 8.994 ( 15.265 0.000 -9.959) 18.227 9.109 ( 4.754 0.000 -4.125) 6.294 9.529 ( 23.983 0.000 2.760) 24.141 9.923 ( -11.891 0.000 5.773) 13.219 9.954 ( 32.417 0.000 0.906) 32.430 10.523 ( -26.229 0.000 -3.678) 26.485 10.731 ( -18.748 0.000 2.680) 18.938 11.461 ( -12.941 0.000 0.273) 12.944 11.522 ( 3.395 0.000 2.460) 4.193 12.040 ( 6.410 0.000 28.142) 28.863 12.344 ( -13.372 0.000 -2.053) 13.528 12.954 ( -7.078 0.000 4.248) 8.255 13.204 ( 3.584 0.000 -0.974) 3.714 13.446 ( -12.867 0.000 3.247) 13.270 13.690 ( 9.684 0.000 -1.799) 9.850 14.285 ( -8.623 0.000 1.114) 8.695 15.407 ( 3.249 0.000 -6.201) 7.001 15.647 ( -2.615 0.000 0.026) 2.616 15.766 ( -2.223 0.000 -6.140) 6.530 15.974 ( -38.939 0.000 -33.667) 51.475 16.442 ( 17.223 0.000 -0.281) 17.225 17.544 ( -12.297 0.000 10.360) 16.080 18.318 ( 16.121 0.000 -0.481) 16.128 18.344 ( 26.622 0.000 0.008) 26.622 18.591 ( 24.086 0.000 -4.658) 24.533 18.731 ( -3.671 0.000 0.186) 3.676 19.331 ( -14.994 0.000 -34.392) 37.518 19.466 ( -27.924 0.000 0.004) 27.924 20.029 ( -30.194 0.000 -14.522) 33.504 20.989 ( 2.182 0.000 9.019) 9.279 22.128 ( 4.376 0.000 -0.019) 4.376 23.770 ( 38.107 0.000 21.648) 43.826 ======================= Grid point 126 (45/224) ======================= q-point: ( 0.00 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 1.108 46.211 21.118) 50.820 1.488 ( -4.504 33.814 36.659) 50.076 2.484 ( -0.465 56.630 59.822) 82.376 4.484 ( 0.758 7.429 -14.111) 15.965 5.715 ( 1.085 12.531 -25.545) 28.474 6.280 ( -0.114 8.373 4.175) 9.357 7.277 ( -4.953 4.653 2.627) 7.286 7.472 ( 4.177 -0.155 2.242) 4.743 7.859 ( -4.295 -6.505 -2.582) 8.211 8.784 ( 2.423 -9.616 -6.673) 11.952 9.234 ( 8.662 1.743 -1.672) 8.992 9.438 ( 10.623 2.473 -0.909) 10.945 9.715 ( -2.725 1.210 3.145) 4.334 9.852 ( 3.018 -4.899 1.178) 5.873 9.916 ( -19.164 -5.898 -6.704) 21.142 10.244 ( 5.941 -2.036 0.420) 6.295 10.550 ( -4.301 15.971 -3.051) 16.819 11.377 ( -0.488 9.978 1.930) 10.175 11.910 ( -1.564 7.363 -13.403) 15.373 12.168 ( 0.343 0.364 0.005) 0.500 12.539 ( 1.250 -7.831 20.915) 22.368 12.881 ( -1.199 -1.586 4.216) 4.661 13.246 ( -2.122 0.465 -1.679) 2.746 13.295 ( -2.189 3.858 0.337) 4.449 13.952 ( -0.740 10.243 -1.130) 10.331 14.259 ( 3.317 1.739 -0.265) 3.755 14.300 ( -1.201 10.982 0.985) 11.092 15.478 ( -3.252 2.083 -4.779) 6.144 15.767 ( 4.307 7.709 -12.410) 15.231 16.253 ( -0.388 20.877 -2.729) 21.058 16.813 ( 13.604 2.425 -1.363) 13.886 17.215 ( -19.185 -0.186 5.260) 19.894 18.111 ( 5.052 -35.339 0.380) 35.701 18.265 ( -8.947 -32.486 1.729) 33.740 18.446 ( -3.396 -7.488 -4.278) 9.268 18.867 ( -3.500 -3.702 -0.323) 5.105 18.956 ( 10.836 3.553 -31.502) 33.503 19.743 ( -14.529 26.360 -3.359) 30.286 20.002 ( 22.797 20.729 -1.063) 30.831 21.293 ( 1.088 7.769 16.615) 18.375 22.107 ( -0.030 1.267 -3.853) 4.056 23.869 ( -0.647 -31.487 22.496) 38.703 ======================= Grid point 127 (46/224) ======================= q-point: ( 0.11 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 27.306 19.649 32.858) 47.025 2.231 ( 39.867 23.933 34.782) 58.069 3.137 ( 48.024 49.333 39.799) 79.524 4.700 ( 24.352 3.206 -16.941) 29.838 5.611 ( -0.690 11.378 -21.412) 24.257 6.238 ( -5.447 6.698 6.285) 10.679 7.128 ( -11.703 7.620 -2.896) 14.262 7.651 ( -11.591 -6.508 -3.416) 13.725 7.853 ( 28.371 0.150 6.009) 29.000 8.755 ( -2.194 -6.523 -7.280) 10.018 9.198 ( -21.284 -5.995 -2.721) 22.279 9.427 ( -17.912 0.325 2.187) 18.048 9.461 ( 3.660 0.072 -10.513) 11.132 9.629 ( -7.375 5.246 6.080) 10.903 9.820 ( -0.990 8.727 -5.640) 10.438 10.543 ( 21.233 1.592 -0.180) 21.293 10.751 ( 17.013 8.781 -3.076) 19.391 11.469 ( 8.592 8.648 4.143) 12.876 11.725 ( -7.338 8.028 -9.058) 14.154 12.307 ( 7.483 1.706 10.837) 13.279 12.417 ( -2.346 3.192 15.721) 16.213 13.010 ( 9.380 0.256 5.834) 11.049 13.168 ( -4.631 -0.887 -0.503) 4.741 13.378 ( 10.413 8.157 -3.050) 13.575 13.788 ( -8.351 7.287 -0.399) 11.091 14.337 ( 4.425 5.098 1.036) 6.829 14.943 ( 31.208 -23.714 -3.313) 39.336 15.467 ( 1.868 2.719 -2.460) 4.115 15.814 ( 4.131 5.924 -10.951) 13.118 16.258 ( 3.211 19.820 -3.040) 20.308 16.761 ( -15.179 1.551 6.930) 16.758 17.156 ( 8.850 1.483 -3.473) 9.622 17.825 ( -23.408 -33.161 1.377) 40.614 18.023 ( -25.336 -27.776 -2.347) 37.668 18.302 ( -2.322 -4.700 -8.210) 9.741 18.768 ( -3.856 0.896 -1.873) 4.379 19.090 ( 8.472 -6.040 -27.459) 29.364 19.730 ( 12.560 18.995 -0.607) 22.780 20.607 ( 32.558 11.099 1.701) 34.440 21.290 ( -8.350 4.168 18.665) 20.868 22.077 ( -1.704 1.838 -4.171) 4.866 23.635 ( -24.553 -15.952 11.746) 31.548 ======================= Grid point 128 (47/224) ======================= q-point: ( 0.22 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 35.288 4.535 33.829) 49.094 3.068 ( 32.797 22.559 36.650) 54.109 4.385 ( 48.552 22.458 11.800) 54.780 5.341 ( 41.459 6.058 -10.341) 43.156 5.558 ( 12.096 11.048 -15.434) 22.507 6.122 ( -8.485 2.891 5.422) 10.477 6.795 ( -17.517 13.592 -6.144) 23.007 7.338 ( -16.790 -3.275 -2.710) 17.320 8.437 ( 9.977 -6.848 -4.540) 12.924 8.480 ( -22.601 7.106 -1.113) 23.718 8.965 ( 11.053 -7.069 -4.707) 13.939 9.155 ( -7.446 -1.573 0.151) 7.611 9.501 ( 11.410 3.119 -10.079) 15.540 9.565 ( -2.025 9.308 5.343) 10.922 9.943 ( 14.107 7.417 -3.910) 16.410 10.848 ( 3.770 7.600 -1.654) 8.643 11.028 ( 12.097 -3.396 -0.485) 12.574 11.548 ( -1.383 2.615 0.514) 3.002 11.826 ( 15.731 8.938 4.729) 18.700 12.396 ( 2.315 0.382 19.566) 19.706 12.721 ( 19.910 7.256 -4.051) 21.575 13.021 ( -8.903 -0.286 1.433) 9.022 13.181 ( 0.388 5.687 2.821) 6.360 13.586 ( 5.218 15.255 1.539) 16.196 13.710 ( 9.358 2.915 -4.298) 10.702 14.488 ( 10.251 -1.317 1.652) 10.467 15.306 ( 10.357 -22.348 0.560) 24.638 15.380 ( -11.406 2.852 1.327) 11.832 15.862 ( 3.948 4.109 -2.067) 6.061 16.356 ( 4.828 13.597 -2.285) 14.609 16.522 ( -15.319 -2.352 3.131) 15.812 17.139 ( -9.942 -2.768 -3.849) 11.014 17.399 ( -18.500 -29.535 0.743) 34.858 17.578 ( -8.503 -15.372 -1.275) 17.613 18.206 ( -3.557 -4.771 -9.849) 11.507 18.675 ( -4.916 5.442 0.213) 7.337 19.038 ( -2.828 -7.980 -21.694) 23.287 20.093 ( 21.433 7.327 -0.414) 22.655 20.956 ( -17.413 -3.282 20.432) 27.045 21.354 ( 23.632 3.074 6.034) 24.583 21.995 ( -4.882 4.273 -3.344) 7.299 23.155 ( -22.275 -0.697 -6.917) 23.334 ======================= Grid point 129 (48/224) ======================= q-point: ( 0.33 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.464 ( 37.285 -0.297 31.600) 48.875 3.875 ( 34.297 17.337 26.568) 46.720 4.906 ( 2.120 11.164 -0.965) 11.404 5.338 ( -8.414 0.458 -11.730) 14.443 5.924 ( -6.461 -4.972 2.410) 8.501 6.395 ( 2.138 17.510 0.826) 17.659 6.888 ( 30.862 11.411 -5.628) 33.382 7.037 ( 19.582 8.005 -5.084) 21.757 7.873 ( -28.047 6.573 -1.096) 28.827 8.517 ( 4.458 -7.821 -14.788) 17.312 8.961 ( -3.955 -11.414 1.571) 12.182 9.153 ( 0.559 13.434 -6.413) 14.897 9.504 ( -1.796 12.905 1.157) 13.081 10.178 ( 29.432 -2.513 -0.727) 29.548 10.321 ( 32.735 2.195 1.379) 32.837 10.677 ( -15.123 10.939 -2.841) 18.879 11.110 ( -4.603 -5.031 1.807) 7.054 11.659 ( 11.400 -0.593 -1.080) 11.466 12.053 ( 2.224 3.665 13.262) 13.938 12.581 ( 5.204 0.709 3.447) 6.282 12.634 ( -16.652 3.065 2.450) 17.108 13.103 ( -0.023 13.524 -0.203) 13.525 13.247 ( 21.464 14.581 -2.536) 26.072 13.759 ( 5.577 11.994 1.678) 13.334 13.859 ( 5.300 -1.242 -1.338) 5.606 14.690 ( 3.409 0.388 1.885) 3.915 15.155 ( -5.353 -0.180 0.245) 5.362 15.472 ( 5.305 -16.133 3.194) 17.281 15.919 ( -13.179 -4.116 5.350) 14.807 16.000 ( -13.905 0.966 0.267) 13.941 16.429 ( 2.301 6.036 -2.756) 7.023 17.021 ( -16.059 -33.367 0.321) 37.032 17.136 ( 6.653 -1.123 -1.468) 6.905 17.558 ( 0.661 -5.956 0.612) 6.023 18.110 ( -1.153 -6.510 -10.505) 12.412 18.600 ( -1.568 7.267 0.540) 7.454 18.867 ( -5.574 -4.689 -11.715) 13.795 20.454 ( -19.524 -7.021 17.936) 27.426 20.558 ( 6.084 -0.344 8.257) 10.262 21.718 ( -2.305 -3.271 -1.011) 4.127 22.015 ( 18.323 9.491 0.741) 20.648 22.721 ( -15.707 5.958 -20.769) 26.712 ======================= Grid point 130 (49/224) ======================= q-point: ( 0.44 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.300 ( 32.109 -1.233 23.039) 39.539 4.439 ( -25.606 9.445 2.357) 27.394 4.636 ( 14.652 13.885 16.136) 25.843 5.037 ( -16.738 0.780 -3.751) 17.171 6.031 ( 14.192 -3.805 -1.400) 14.759 6.361 ( -7.030 7.705 -0.044) 10.430 6.691 ( -3.949 8.428 -1.532) 9.433 7.432 ( -13.308 7.986 -0.506) 15.529 8.040 ( 27.230 2.426 -25.046) 37.076 8.776 ( 20.024 -1.012 0.879) 20.069 8.975 ( 10.231 -6.318 0.256) 12.028 9.181 ( 15.140 15.729 -5.857) 22.604 9.498 ( 1.580 13.332 -0.746) 13.446 9.858 ( -52.339 15.531 0.964) 54.603 10.553 ( 15.704 1.999 0.038) 15.830 10.933 ( -10.558 -4.281 3.775) 12.002 11.293 ( 30.745 -10.291 3.374) 32.596 11.833 ( 3.678 -3.916 -2.438) 5.900 12.071 ( -4.434 2.754 7.911) 9.478 12.356 ( -7.966 0.758 4.142) 9.010 12.679 ( 6.052 7.462 0.713) 9.634 13.125 ( -5.298 24.628 -0.819) 25.205 13.416 ( -1.684 13.279 -0.781) 13.408 13.887 ( 12.169 4.371 -1.211) 12.987 14.010 ( 9.434 3.279 1.754) 10.140 14.527 ( -17.011 1.892 -0.012) 17.116 15.116 ( -4.058 -4.136 -1.981) 6.123 15.461 ( -6.411 -7.678 11.232) 15.040 15.646 ( 0.882 -10.968 0.364) 11.010 16.092 ( 4.737 6.424 -1.504) 8.122 16.421 ( -0.556 -4.419 -3.322) 5.556 16.807 ( -4.955 -28.330 -0.268) 28.762 17.215 ( -0.647 -2.213 2.451) 3.365 17.570 ( 0.783 -2.980 -0.082) 3.082 18.096 ( 3.871 -7.673 -9.415) 12.748 18.667 ( 8.229 3.134 -0.604) 8.826 18.801 ( 3.824 -0.859 -0.242) 3.927 19.888 ( -32.224 -9.928 23.876) 41.316 20.895 ( 12.959 0.303 0.140) 12.963 21.536 ( -9.224 -1.016 -0.688) 9.306 22.337 ( -13.178 7.413 -23.673) 28.090 22.460 ( 20.799 6.089 -1.980) 21.762 ======================= Grid point 131 (50/224) ======================= q-point: (-0.44 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.634 ( -44.704 12.742 5.314) 46.787 4.278 ( -34.654 5.813 0.626) 35.144 5.045 ( 19.803 2.138 14.918) 24.886 5.220 ( 16.618 6.654 8.073) 19.637 6.098 ( -12.106 -3.861 1.793) 12.833 6.320 ( 13.110 3.488 -1.581) 13.658 6.804 ( 9.958 10.460 3.844) 14.945 7.434 ( 14.204 6.696 -0.201) 15.704 8.177 ( 6.466 -2.907 -27.640) 28.535 8.583 ( -69.814 18.442 -1.971) 72.236 8.883 ( 0.680 -10.882 0.666) 10.924 9.027 ( 0.272 8.626 -8.359) 12.014 9.491 ( 1.272 13.327 -0.705) 13.406 10.120 ( 46.143 13.664 6.021) 48.499 10.682 ( -12.971 -1.290 4.092) 13.662 10.860 ( 11.789 -1.385 1.204) 11.931 11.331 ( -30.865 -8.259 5.182) 32.368 11.738 ( -6.879 -3.588 -2.452) 8.137 11.938 ( -8.673 4.336 0.852) 9.734 12.374 ( 7.429 0.287 4.283) 8.580 12.685 ( -4.046 5.550 0.657) 6.900 13.137 ( 1.091 22.403 0.161) 22.430 13.598 ( 18.741 14.159 5.312) 24.081 13.884 ( -10.418 6.047 -0.594) 12.061 13.962 ( -18.341 0.935 -1.148) 18.400 14.457 ( 14.549 2.965 -1.984) 14.980 15.092 ( 2.192 1.543 -0.196) 2.688 15.454 ( 1.033 -13.268 8.383) 15.729 15.644 ( -1.913 -8.209 0.142) 8.430 16.003 ( -8.483 3.631 -5.240) 10.612 16.500 ( 5.454 -1.394 0.995) 5.717 16.784 ( 3.241 -28.733 -0.524) 28.920 17.165 ( -3.162 -3.532 -1.346) 4.928 17.605 ( 2.812 -0.728 2.581) 3.886 18.169 ( 5.765 -4.273 -5.852) 9.259 18.810 ( 7.119 -5.957 -7.572) 11.979 19.126 ( 23.184 -0.161 15.801) 28.057 19.471 ( -15.341 -8.420 14.881) 22.971 20.902 ( -12.681 0.999 0.515) 12.731 21.517 ( 7.213 -1.980 -2.541) 7.900 21.962 ( -14.065 10.048 -20.179) 26.570 22.828 ( 16.651 3.895 -4.888) 17.785 ======================= Grid point 132 (51/224) ======================= q-point: (-0.33 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( -43.250 16.097 16.457) 48.995 3.485 ( -43.666 12.368 5.357) 45.699 5.058 ( -22.290 11.205 3.112) 25.141 5.525 ( 13.487 3.671 -4.969) 14.835 5.985 ( -2.957 -6.326 5.810) 9.084 6.580 ( -5.301 10.531 8.701) 14.653 6.989 ( -2.485 5.035 0.147) 5.617 7.237 ( -31.035 15.178 2.728) 34.655 7.915 ( 28.461 5.533 0.337) 28.996 8.201 ( 5.073 -2.144 -22.539) 23.203 8.913 ( 1.998 -12.782 -3.428) 13.384 9.014 ( 2.900 10.541 -7.809) 13.435 9.476 ( -3.559 12.722 -3.206) 13.594 10.242 ( -40.692 -2.652 0.354) 40.780 10.441 ( -14.161 -0.197 5.040) 15.033 10.976 ( 10.617 10.179 6.284) 15.994 11.070 ( 5.775 -1.638 1.127) 6.108 11.564 ( -10.983 -1.030 -0.897) 11.067 11.825 ( -1.131 3.466 4.821) 6.044 12.507 ( -15.013 8.352 1.829) 17.276 12.678 ( 15.729 -0.079 1.816) 15.833 13.088 ( 1.318 11.302 -1.216) 11.443 13.315 ( -27.187 5.437 -0.557) 27.731 13.704 ( -13.183 4.458 0.849) 13.942 14.071 ( 8.020 13.952 6.100) 17.210 14.607 ( -1.499 1.554 -0.990) 2.375 15.120 ( 1.603 5.269 -0.180) 5.511 15.430 ( -5.800 -18.671 0.576) 19.560 15.691 ( 4.884 -1.434 -2.820) 5.820 16.059 ( 19.569 0.011 2.407) 19.716 16.510 ( -2.513 3.953 2.805) 5.459 17.000 ( 17.228 -33.458 -0.325) 37.634 17.098 ( -0.593 -3.329 -5.520) 6.474 17.706 ( 4.189 -2.344 7.686) 9.062 18.265 ( 5.772 -1.528 -3.650) 6.998 18.852 ( -1.528 -5.979 -0.160) 6.173 19.400 ( 5.128 -9.820 -5.729) 12.472 19.759 ( 29.794 -4.593 20.196) 36.286 20.547 ( -20.640 3.442 0.848) 20.942 21.415 ( -17.232 4.839 -16.387) 24.267 21.848 ( 8.713 4.640 -1.840) 10.041 23.084 ( 11.806 3.190 -7.952) 14.587 ======================= Grid point 133 (52/224) ======================= q-point: (-0.22 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -35.530 17.588 30.525) 50.035 2.643 ( -42.812 24.708 15.878) 51.918 4.257 ( -61.396 24.919 5.278) 66.470 5.469 ( -33.921 1.773 -8.826) 35.095 5.768 ( -5.771 10.114 -9.841) 15.246 6.075 ( 1.310 4.443 6.621) 8.080 7.183 ( 8.781 8.986 9.963) 16.035 7.449 ( 21.785 -2.816 1.221) 22.000 8.110 ( -10.183 -2.894 -14.033) 17.578 8.496 ( 24.397 6.208 0.080) 25.174 8.919 ( 1.273 -4.374 -6.317) 7.788 9.128 ( 10.511 7.197 -6.746) 14.415 9.174 ( -16.240 -1.733 -1.711) 16.421 9.735 ( -3.666 5.418 -3.224) 7.293 10.184 ( -13.114 1.433 5.529) 14.304 10.921 ( -16.887 -3.892 -1.553) 17.399 11.110 ( -4.443 9.459 3.710) 11.090 11.468 ( 1.576 3.705 1.852) 4.432 11.878 ( 0.988 3.996 9.669) 10.509 12.077 ( -19.786 10.863 2.920) 22.759 12.775 ( -23.869 3.462 -2.393) 24.238 13.007 ( 11.167 -1.003 0.769) 11.238 13.139 ( -4.564 3.012 2.516) 6.019 13.547 ( 3.456 9.427 -0.142) 10.042 13.960 ( -18.354 11.790 4.402) 22.255 14.461 ( -8.042 -0.175 0.741) 8.078 15.214 ( -1.900 -9.473 -2.306) 9.933 15.342 ( 4.867 -9.264 -1.220) 10.535 15.829 ( 8.518 5.255 0.015) 10.008 16.312 ( 1.058 8.488 0.410) 8.563 16.532 ( -0.163 2.105 -4.222) 4.720 17.309 ( 25.152 -18.467 1.126) 31.223 17.414 ( 22.951 -23.562 0.308) 32.894 17.790 ( 1.462 -9.208 10.296) 13.890 18.367 ( 5.656 -1.440 -4.448) 7.338 18.794 ( -3.757 -2.825 2.047) 5.127 19.458 ( 4.036 -12.101 -29.482) 32.123 20.104 ( -17.720 7.065 0.194) 19.078 20.426 ( 17.961 -0.981 21.227) 27.823 20.958 ( -18.325 5.257 -6.894) 20.272 22.027 ( 7.829 2.924 -1.850) 8.560 23.264 ( 10.176 1.491 -4.357) 11.169 ======================= Grid point 134 (53/224) ======================= q-point: (-0.11 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -27.417 22.714 30.709) 47.017 1.993 ( -34.203 31.367 35.677) 58.537 2.898 ( -64.808 52.361 24.223) 86.767 4.804 ( -23.718 1.679 -13.902) 27.543 5.746 ( 4.335 11.246 -21.021) 24.231 6.196 ( 5.311 7.001 6.504) 10.932 7.312 ( 1.808 5.874 4.731) 7.756 7.660 ( -21.439 -2.261 -1.399) 21.603 7.815 ( 9.301 -4.495 0.884) 10.368 8.727 ( 4.796 -2.895 -6.106) 8.287 9.062 ( 11.047 4.375 -6.152) 13.380 9.135 ( 13.275 3.185 -4.840) 14.484 9.476 ( 21.118 -1.191 -0.853) 21.169 9.805 ( 5.201 -4.659 2.944) 7.578 9.999 ( -3.433 3.712 2.493) 5.637 10.494 ( -22.675 -1.106 -1.949) 22.785 10.871 ( -19.135 11.995 1.488) 22.632 11.445 ( -5.473 7.160 0.856) 9.053 11.878 ( 6.052 11.428 -7.329) 14.864 12.076 ( 8.704 2.965 24.375) 26.052 12.375 ( -12.889 2.753 -1.222) 13.236 12.945 ( -8.300 -0.862 4.055) 9.278 13.190 ( 5.296 -0.536 0.092) 5.323 13.537 ( -17.662 7.277 2.615) 19.280 13.763 ( 9.345 7.848 -1.492) 12.294 14.342 ( -4.555 6.266 1.542) 7.899 14.928 ( -26.259 -26.218 -4.064) 37.329 15.516 ( 5.770 0.042 -0.747) 5.819 15.861 ( -6.943 8.695 -10.329) 15.182 16.287 ( -0.729 11.187 -9.413) 14.639 16.538 ( 9.411 7.052 -2.116) 11.949 17.545 ( -12.715 -0.046 10.068) 16.218 17.800 ( 21.004 -35.270 0.329) 41.052 18.161 ( 24.874 -30.474 3.389) 39.483 18.435 ( 2.701 -2.751 -4.449) 5.887 18.752 ( 1.360 -0.486 -1.195) 1.874 19.231 ( -11.919 -4.585 -36.313) 38.493 19.828 ( -5.192 17.741 -5.152) 19.190 20.242 ( -25.944 17.710 -7.239) 32.236 21.083 ( 12.356 -3.581 23.239) 26.562 22.112 ( 2.064 3.042 -4.845) 6.082 23.544 ( 16.713 -11.657 15.608) 25.668 ======================= Grid point 135 (54/224) ======================= q-point: ( 0.00 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -0.259 39.240 23.012) 45.491 2.383 ( -1.482 47.153 12.775) 48.875 3.869 ( -0.467 72.421 33.258) 79.694 4.717 ( 0.178 15.631 -13.319) 20.537 5.917 ( 0.783 8.040 -19.462) 21.072 6.431 ( 0.230 7.389 6.699) 9.977 7.347 ( -3.178 -0.631 3.545) 4.803 7.472 ( 3.604 0.400 -5.633) 6.700 7.694 ( -3.380 -8.564 -0.696) 9.233 8.588 ( 1.085 -6.743 -12.120) 13.912 9.283 ( 5.188 1.477 -0.524) 5.420 9.587 ( -1.985 7.887 2.069) 8.392 9.738 ( 3.976 1.947 0.179) 4.431 9.897 ( 16.398 10.064 -2.987) 19.470 9.949 ( -17.757 8.003 -1.524) 19.537 10.312 ( 2.489 6.752 2.454) 7.603 10.862 ( -4.660 13.249 -3.617) 14.503 11.632 ( -0.845 13.375 1.413) 13.476 11.819 ( -2.848 -14.899 -11.668) 19.137 12.180 ( 2.589 1.298 8.735) 9.203 12.383 ( 1.366 -4.495 14.753) 15.483 12.867 ( 2.722 0.117 4.553) 5.306 13.262 ( -3.360 0.568 -2.510) 4.232 13.356 ( -2.238 1.833 1.451) 3.236 14.215 ( -7.959 13.830 -2.672) 16.179 14.305 ( 8.415 3.439 -0.434) 9.101 14.623 ( -1.138 19.062 0.719) 19.110 15.511 ( -0.644 0.512 -2.474) 2.607 16.012 ( 1.822 15.440 -18.518) 24.179 16.588 ( -1.831 13.212 4.810) 14.179 16.858 ( 15.971 -0.978 -2.355) 16.173 17.119 ( -18.545 -13.823 4.370) 23.539 17.384 ( 5.379 -29.950 1.699) 30.477 17.647 ( -7.865 -18.902 0.351) 20.476 18.326 ( -4.933 -6.409 -5.739) 9.917 18.719 ( -1.085 -11.057 -7.162) 13.218 18.859 ( 8.299 -10.420 -29.050) 31.959 20.213 ( -11.733 18.508 -0.777) 21.928 20.383 ( 16.573 16.028 1.018) 23.078 20.983 ( 0.023 -26.369 35.024) 43.841 22.284 ( 0.460 6.325 1.774) 6.585 23.542 ( -0.205 -3.445 2.422) 4.216 ======================= Grid point 136 (55/224) ======================= q-point: ( 0.11 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 12.094 33.218 22.920) 42.131 2.883 ( 32.522 36.800 20.568) 53.245 4.298 ( 28.071 58.817 24.712) 69.700 4.898 ( 24.749 17.457 -10.875) 32.179 5.826 ( -1.509 9.877 -17.378) 20.046 6.386 ( -6.821 7.862 6.058) 12.043 7.282 ( -6.171 5.358 -6.604) 10.507 7.474 ( -7.966 -10.402 -2.788) 13.395 7.862 ( 26.597 0.585 5.774) 27.223 8.576 ( 4.003 -7.185 -14.630) 16.783 9.160 ( -19.431 -0.147 0.435) 19.436 9.484 ( -22.858 6.247 2.924) 23.876 9.565 ( 0.705 7.444 -4.388) 8.670 9.744 ( -0.584 6.382 4.075) 7.594 10.060 ( 3.363 15.111 -5.220) 16.337 10.602 ( 18.929 4.558 3.096) 19.714 10.961 ( 11.792 10.052 -5.951) 16.599 11.628 ( -1.653 0.803 -1.128) 2.156 11.743 ( 3.624 -0.747 -4.964) 6.191 12.325 ( 0.649 0.059 18.400) 18.411 12.480 ( 12.001 2.730 3.501) 12.796 13.039 ( 11.213 2.025 6.736) 13.237 13.167 ( -4.215 1.080 -1.910) 4.752 13.531 ( 17.874 5.395 -1.554) 18.735 13.966 ( -9.226 9.818 -1.377) 13.543 14.553 ( -4.967 15.611 0.628) 16.394 14.678 ( 18.464 -4.044 -0.798) 18.918 15.527 ( 1.492 2.584 -1.325) 3.265 16.007 ( 2.788 12.949 -15.353) 20.277 16.549 ( -2.708 8.152 2.563) 8.964 16.775 ( -14.433 -4.135 4.197) 15.589 17.124 ( -22.003 -23.788 3.379) 32.579 17.157 ( 9.719 -11.886 -1.511) 15.428 17.466 ( -15.908 -16.253 -3.746) 23.049 18.174 ( -4.288 -8.188 -9.624) 13.344 18.678 ( 2.312 -10.064 -12.205) 15.987 18.920 ( 2.976 -8.987 -14.367) 17.206 20.095 ( 2.110 15.453 -0.623) 15.608 20.829 ( 15.995 3.066 9.329) 18.769 21.015 ( -2.494 -16.583 23.861) 29.164 22.254 ( -4.267 6.923 2.718) 8.575 23.442 ( -9.450 -2.189 -2.653) 10.057 ======================= Grid point 137 (56/224) ======================= q-point: ( 0.22 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( 27.029 21.345 22.889) 41.353 3.609 ( 29.650 28.801 25.305) 48.466 4.888 ( 23.251 24.938 -0.755) 34.104 5.548 ( 11.062 11.949 -2.028) 16.409 5.895 ( 29.385 20.325 -4.410) 36.001 6.275 ( 4.796 15.102 2.916) 16.111 7.060 ( -10.725 10.082 -10.164) 17.888 7.260 ( -11.326 -4.254 -1.993) 12.262 8.309 ( 3.602 -3.307 -4.160) 6.420 8.656 ( -20.713 8.865 -1.261) 22.566 8.852 ( 17.904 -3.071 -2.711) 18.366 9.140 ( 0.656 0.237 1.111) 1.312 9.575 ( 3.852 4.615 -3.589) 7.001 9.778 ( 0.396 10.759 1.157) 10.829 10.149 ( 9.236 12.294 -3.523) 15.775 10.932 ( 11.454 0.387 0.082) 11.460 11.092 ( 1.383 8.484 -3.132) 9.149 11.554 ( -0.454 -2.886 -5.136) 5.909 11.970 ( 11.124 4.638 9.005) 15.045 12.400 ( 5.869 -0.160 12.696) 13.988 12.889 ( 22.010 7.716 -1.862) 23.397 13.044 ( -5.452 2.388 1.371) 6.108 13.320 ( 10.357 7.432 5.841) 14.022 13.793 ( -5.685 6.882 -0.794) 8.961 13.975 ( 22.119 18.019 -2.419) 28.632 14.494 ( 2.391 3.968 0.472) 4.656 14.975 ( 10.903 -8.931 -0.145) 14.094 15.465 ( -8.269 5.005 0.170) 9.667 15.974 ( -1.349 6.990 -3.612) 7.983 16.416 ( -22.695 -8.983 1.326) 24.445 16.586 ( -10.403 -12.671 0.832) 16.416 16.636 ( -13.294 -14.311 0.327) 19.536 17.080 ( -10.349 -9.889 -3.276) 14.684 17.358 ( 6.694 -2.016 -0.947) 7.054 18.055 ( -4.723 -9.741 -10.363) 14.986 18.687 ( 1.525 -5.514 -5.425) 7.884 18.853 ( -3.597 -8.166 -11.902) 14.875 20.264 ( 13.550 8.340 -0.725) 15.927 20.659 ( -26.189 -22.913 27.979) 44.651 21.437 ( 23.788 5.768 1.283) 24.511 22.151 ( -6.068 5.815 3.453) 9.086 23.182 ( -12.615 3.697 -11.985) 17.789 ======================= Grid point 138 (57/224) ======================= q-point: ( 0.33 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.586 ( 34.590 12.169 20.318) 41.921 4.278 ( 27.467 21.184 23.421) 41.853 5.220 ( 5.530 18.201 -6.245) 20.021 5.378 ( -14.821 5.008 -6.021) 16.763 5.895 ( -7.261 1.934 3.762) 8.404 6.739 ( -6.986 13.628 -0.354) 15.318 7.006 ( -9.680 4.223 -3.055) 10.994 7.422 ( 60.781 23.779 -11.792) 66.324 8.009 ( -22.414 6.725 -1.608) 23.456 8.505 ( 7.596 7.429 -3.203) 11.097 8.777 ( -6.087 -5.288 1.010) 8.126 9.412 ( 3.205 11.299 -4.257) 12.492 9.761 ( -1.053 12.365 -0.829) 12.438 10.091 ( 41.244 -5.161 0.071) 41.565 10.403 ( 17.815 5.481 0.239) 18.640 10.962 ( -12.655 14.206 -1.250) 19.066 11.009 ( -3.674 -3.386 -1.799) 5.311 11.648 ( 10.226 -1.031 -4.247) 11.121 12.091 ( -1.932 -0.339 15.734) 15.856 12.636 ( 8.004 4.107 1.450) 9.112 12.751 ( -17.214 8.887 1.092) 19.403 13.399 ( 5.796 13.033 1.363) 14.329 13.457 ( 26.968 4.161 -0.249) 27.288 13.850 ( 5.026 2.003 0.131) 5.412 14.216 ( 3.420 30.579 -0.249) 30.771 14.697 ( 7.343 1.491 0.632) 7.519 15.059 ( -1.269 -7.791 -0.590) 7.916 15.330 ( -0.545 0.419 0.645) 0.943 15.726 ( -29.121 -11.948 5.032) 31.877 16.010 ( -2.460 -3.531 0.172) 4.307 16.265 ( -12.975 -34.634 -0.066) 36.985 16.574 ( -2.363 7.551 -2.157) 8.201 17.105 ( 7.841 -1.765 -1.727) 8.221 17.432 ( 1.295 -4.759 0.624) 4.971 17.917 ( -3.937 -12.034 -9.008) 15.539 18.684 ( -1.990 0.461 0.733) 2.170 18.735 ( -1.040 -7.860 -9.638) 12.480 20.146 ( -33.446 -20.896 23.279) 45.795 20.582 ( 16.860 2.179 -0.106) 17.000 21.696 ( -2.449 0.002 1.057) 2.668 22.197 ( 13.521 6.579 1.797) 15.144 22.871 ( -12.057 8.255 -17.827) 23.050 ======================= Grid point 139 (58/224) ======================= q-point: ( 0.44 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.355 ( 32.606 6.491 15.765) 36.794 4.731 ( -20.591 18.926 3.128) 28.141 4.946 ( 8.211 15.353 13.286) 21.901 5.062 ( -17.299 1.739 -2.651) 17.587 6.048 ( 17.110 6.372 -0.768) 18.274 6.500 ( -17.234 7.223 1.178) 18.724 6.896 ( 2.922 8.797 -7.322) 11.812 7.637 ( -10.804 11.802 -0.067) 16.000 8.111 ( 12.636 5.916 -18.505) 23.175 8.632 ( -1.111 -9.594 -0.310) 9.664 9.173 ( 31.274 19.601 1.013) 36.922 9.494 ( 20.325 14.395 -1.854) 24.975 9.765 ( 3.729 12.861 -1.241) 13.448 10.235 ( -39.611 17.631 -0.517) 43.361 10.626 ( 10.760 6.373 -0.032) 12.506 10.871 ( -8.008 -0.519 -0.037) 8.025 11.089 ( 21.956 -7.657 5.777) 23.960 11.777 ( 1.917 -1.657 -4.951) 5.562 12.097 ( -2.981 -0.873 10.846) 11.282 12.392 ( -11.781 3.383 0.519) 12.268 12.875 ( 16.229 9.934 0.480) 19.034 13.563 ( 0.040 15.629 -0.354) 15.633 13.710 ( -9.861 8.374 -1.358) 13.008 14.007 ( 21.073 8.282 -1.029) 22.665 14.168 ( -1.453 12.355 2.659) 12.721 14.563 ( -17.218 1.684 -1.155) 17.339 15.036 ( 1.670 -0.373 0.133) 1.716 15.374 ( -3.554 1.839 5.986) 7.200 15.448 ( -0.238 -8.347 3.908) 9.220 15.923 ( -5.130 -35.048 -0.157) 35.422 16.225 ( 5.827 2.213 -3.028) 6.930 16.519 ( -0.420 -0.788 -4.308) 4.400 17.155 ( -5.164 -3.141 5.412) 8.113 17.487 ( 4.767 -4.893 -0.421) 6.844 17.877 ( 4.175 -13.007 -7.005) 15.352 18.633 ( -0.394 -5.171 -2.759) 5.874 18.789 ( 7.318 -1.904 1.494) 7.708 19.582 ( -28.896 -19.004 17.347) 38.691 20.889 ( 11.710 -0.919 0.005) 11.746 21.532 ( -9.370 0.026 1.487) 9.487 22.457 ( -1.310 3.735 -12.702) 13.304 22.646 ( 7.088 10.684 -7.407) 14.807 ======================= Grid point 140 (59/224) ======================= q-point: (-0.44 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.014 ( -39.425 24.037 2.862) 46.264 4.441 ( -29.410 9.565 1.833) 30.981 5.087 ( 25.845 1.898 5.538) 26.499 5.424 ( 15.604 12.469 15.010) 24.985 6.103 ( -18.817 5.163 2.110) 19.626 6.411 ( 17.668 6.584 -2.528) 19.024 7.008 ( 8.473 7.382 -4.950) 12.280 7.624 ( 9.647 12.150 1.670) 15.604 8.181 ( 4.780 3.533 -17.538) 18.518 8.632 ( 1.864 -10.328 -2.247) 10.732 9.088 ( -66.271 28.047 1.390) 71.975 9.283 ( -0.230 13.617 -8.604) 16.109 9.750 ( 1.566 12.256 -1.231) 12.417 10.362 ( 24.335 4.189 2.137) 24.785 10.718 ( -5.819 6.830 1.181) 9.050 10.868 ( 12.723 4.181 1.605) 13.488 11.197 ( -12.826 -2.912 10.011) 16.528 11.680 ( -6.501 -2.136 -4.374) 8.121 12.006 ( -8.339 1.817 2.591) 8.920 12.398 ( 11.444 2.639 1.530) 11.844 12.854 ( -13.616 8.899 -0.511) 16.274 13.554 ( -4.050 16.173 0.012) 16.673 13.804 ( 6.962 -1.247 0.781) 7.116 14.006 ( -25.576 6.698 -1.618) 26.488 14.133 ( 14.382 16.524 2.697) 22.072 14.548 ( 17.078 6.080 -1.703) 18.207 15.185 ( 4.690 4.715 3.592) 7.558 15.260 ( -3.163 2.857 6.364) 7.659 15.441 ( -2.706 -11.963 1.340) 12.339 15.913 ( 3.118 -32.433 -0.754) 32.591 16.148 ( -8.293 0.706 -6.182) 10.367 16.614 ( 5.952 2.388 0.481) 6.431 17.062 ( -2.544 -6.157 -0.032) 6.662 17.557 ( 1.537 -3.604 4.387) 5.882 18.017 ( 10.223 -10.176 -4.538) 15.122 18.641 ( 2.178 -9.968 -4.470) 11.140 19.055 ( 15.288 -7.251 12.874) 21.261 19.220 ( -9.680 -15.199 5.961) 18.980 20.913 ( -10.358 -0.259 1.137) 10.423 21.499 ( 6.246 -0.244 -0.430) 6.265 22.169 ( -13.418 9.187 -16.109) 22.890 22.925 ( 15.018 4.802 -3.969) 16.259 ======================= Grid point 141 (60/224) ======================= q-point: (-0.33 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.258 ( -37.020 29.439 6.869) 47.794 3.824 ( -32.462 19.575 8.018) 38.746 5.357 ( -13.332 16.863 0.232) 21.498 5.622 ( 12.708 5.706 0.027) 13.931 5.915 ( -1.105 0.665 7.106) 7.223 6.787 ( 13.820 8.189 3.654) 16.474 7.105 ( -0.926 6.453 -0.603) 6.547 7.634 ( -41.980 20.227 -6.947) 47.114 8.092 ( 8.165 14.318 2.784) 16.716 8.224 ( 7.125 3.576 -11.704) 14.161 8.700 ( 5.593 -6.870 -2.047) 9.092 9.252 ( 0.989 11.689 -7.921) 14.155 9.714 ( -9.161 10.437 -3.281) 14.269 10.180 ( -33.594 -2.550 0.917) 33.703 10.424 ( -11.927 -0.995 -0.143) 11.969 11.042 ( 0.767 0.083 -0.173) 0.791 11.227 ( 6.347 10.372 7.324) 14.195 11.576 ( -3.865 2.913 1.854) 5.183 11.881 ( -2.336 1.135 2.205) 3.407 12.658 ( -10.938 4.031 1.567) 11.762 12.760 ( 17.903 10.140 1.487) 20.629 13.318 ( -15.079 7.819 -2.195) 17.126 13.405 ( -20.160 3.368 -0.677) 20.451 13.780 ( -8.892 4.750 -1.516) 10.195 14.488 ( 2.480 19.640 8.550) 21.564 14.739 ( -3.590 17.425 2.165) 17.922 15.102 ( -6.921 -11.502 1.185) 13.476 15.284 ( -0.993 10.113 -1.957) 10.348 15.606 ( 20.284 -10.608 0.325) 22.893 15.991 ( 15.676 -3.996 0.445) 16.183 16.226 ( 14.863 -37.549 -1.346) 40.406 16.634 ( -3.240 7.431 2.345) 8.439 17.027 ( -1.005 -3.276 -6.386) 7.247 17.620 ( 1.902 -4.757 8.871) 10.244 18.184 ( 7.380 -6.364 -2.151) 9.980 18.673 ( 2.444 -11.178 -5.172) 12.557 19.133 ( 2.430 -15.168 -5.720) 16.392 19.558 ( 23.653 -14.779 18.814) 33.643 20.622 ( -16.609 3.450 1.522) 17.032 21.537 ( -8.529 5.556 -8.172) 13.054 21.948 ( 1.174 4.616 -5.157) 7.020 23.167 ( 11.324 4.117 -6.469) 13.676 ======================= Grid point 142 (61/224) ======================= q-point: (-0.22 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( -28.436 34.438 11.061) 46.010 3.247 ( -29.844 31.922 16.285) 46.636 4.864 ( -33.278 31.706 3.536) 46.100 5.636 ( -25.591 12.896 -5.305) 29.144 5.967 ( 0.354 7.866 0.450) 7.887 6.259 ( -18.446 16.662 0.721) 24.867 7.357 ( 13.809 2.146 1.781) 14.088 7.384 ( 7.933 0.903 -0.990) 8.045 8.077 ( -10.423 0.456 -5.850) 11.961 8.630 ( 21.245 5.578 -2.869) 22.152 8.861 ( 12.639 0.001 -4.454) 13.400 9.144 ( -24.521 0.394 0.653) 24.533 9.298 ( 5.136 7.691 -8.444) 12.523 9.885 ( -3.182 8.935 -1.978) 9.689 10.231 ( -8.163 3.599 0.795) 8.957 10.875 ( -14.869 -0.154 -3.483) 15.273 11.308 ( -1.164 7.079 4.607) 8.526 11.557 ( 1.437 4.411 2.024) 5.062 11.919 ( 2.113 0.119 8.633) 8.889 12.258 ( -22.593 5.420 1.474) 23.281 12.838 ( -23.810 1.611 -2.302) 23.975 13.040 ( 8.902 4.848 0.253) 10.140 13.215 ( -13.839 4.313 2.358) 14.686 13.769 ( 10.422 12.300 -0.326) 16.125 14.272 ( -31.320 14.674 5.997) 35.103 14.513 ( -0.491 7.546 2.298) 7.903 14.941 ( -11.417 -7.025 -1.818) 13.528 15.403 ( 10.108 6.285 -2.335) 12.129 15.963 ( 15.651 7.522 -0.482) 17.372 16.453 ( 0.749 -0.081 -2.136) 2.265 16.548 ( 21.878 -7.548 2.238) 23.251 16.619 ( 10.804 -25.543 -1.350) 27.767 17.090 ( 15.780 -14.370 -2.191) 21.455 17.650 ( -3.837 -2.869 10.245) 11.310 18.296 ( 4.698 -5.481 -2.275) 7.569 18.682 ( 0.182 -8.225 -3.595) 8.978 19.145 ( 3.117 -17.316 -26.854) 32.104 20.092 ( 15.346 -16.764 24.850) 33.676 20.352 ( -6.689 4.240 7.454) 10.876 21.158 ( -21.355 12.106 -8.913) 26.115 22.079 ( 8.431 0.743 0.131) 8.464 23.334 ( 8.384 4.449 -6.493) 11.500 ======================= Grid point 143 (62/224) ======================= q-point: (-0.11 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -14.217 39.538 15.241) 44.695 2.740 ( -28.944 39.123 18.819) 52.177 4.130 ( -36.355 63.552 20.365) 75.995 4.981 ( -22.204 15.368 -9.549) 28.642 5.946 ( 2.992 8.848 -17.138) 19.518 6.326 ( 6.600 6.274 7.376) 11.719 7.435 ( 2.999 4.634 -3.960) 6.794 7.546 ( -8.633 -9.425 1.151) 12.833 7.748 ( -8.347 -0.856 1.878) 8.598 8.641 ( -2.985 -4.943 -10.151) 11.678 9.121 ( 10.593 3.596 -1.065) 11.237 9.300 ( 25.065 11.150 -3.278) 27.628 9.498 ( 15.805 1.078 -3.372) 16.197 9.813 ( -4.362 5.836 1.127) 7.372 10.121 ( -3.206 8.186 -0.492) 8.805 10.521 ( -17.630 4.157 -2.183) 18.244 11.134 ( -16.526 11.907 1.937) 20.460 11.620 ( 2.855 5.266 -2.301) 6.417 11.906 ( -4.184 -4.738 -2.938) 6.971 12.093 ( 2.296 0.325 17.973) 18.122 12.427 ( -13.783 1.814 -0.923) 13.933 12.932 ( -10.620 -0.089 2.903) 11.010 13.203 ( 5.939 1.878 0.393) 6.241 13.676 ( -24.950 5.100 2.693) 25.608 14.008 ( 9.966 14.469 -0.216) 17.570 14.543 ( -1.725 10.310 0.934) 10.495 14.671 ( -12.124 1.612 -1.273) 12.297 15.529 ( 2.081 0.725 -0.881) 2.374 16.112 ( -2.455 14.945 -12.632) 19.721 16.475 ( 12.318 7.297 -3.757) 14.802 16.660 ( 0.946 2.940 3.173) 4.427 17.056 ( 21.911 -32.356 0.038) 39.077 17.396 ( -4.824 -26.897 5.227) 27.822 17.643 ( 7.448 -3.688 4.457) 9.431 18.355 ( 2.266 -5.434 -2.397) 6.357 18.673 ( 1.664 -6.981 -1.920) 7.429 19.005 ( -3.023 -16.226 -38.769) 42.136 20.151 ( 1.668 12.558 0.796) 12.693 20.555 ( -7.657 1.443 15.897) 17.704 20.780 ( -2.633 -8.969 16.371) 18.851 22.222 ( 5.126 2.860 1.043) 5.962 23.465 ( 6.353 2.064 -1.564) 6.861 ======================= Grid point 144 (63/224) ======================= q-point: ( 0.00 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.087 ( -0.719 45.542 6.431) 46.000 3.279 ( 0.158 40.049 8.598) 40.962 5.119 ( -1.697 24.132 -11.575) 26.818 5.271 ( 0.410 59.226 25.040) 64.303 6.092 ( 1.272 11.571 -17.234) 20.797 6.608 ( 0.893 10.599 9.562) 14.303 7.194 ( -2.000 -13.640 3.751) 14.287 7.461 ( -0.810 -2.385 -16.735) 16.923 7.557 ( 0.801 -4.799 0.458) 4.887 8.537 ( 0.360 1.299 -3.424) 3.680 9.271 ( -0.301 -2.168 -0.260) 2.204 9.596 ( 3.149 -4.147 1.683) 5.473 9.930 ( -0.240 13.190 -1.081) 13.236 10.190 ( 1.384 14.941 1.509) 15.081 10.215 ( 7.162 19.105 -1.307) 20.445 10.500 ( -0.510 11.439 -0.106) 11.451 11.000 ( -5.229 -3.956 -2.609) 7.057 11.494 ( -0.678 -8.508 -5.832) 10.338 11.889 ( -5.361 10.356 1.387) 11.743 12.218 ( 4.793 2.231 8.008) 9.596 12.329 ( 0.834 -2.025 9.590) 9.837 12.878 ( 4.617 0.730 4.038) 6.177 13.254 ( -6.103 -1.530 -1.931) 6.581 13.359 ( -1.140 -1.964 0.879) 2.435 14.354 ( -4.949 3.529 -1.319) 6.219 14.502 ( 3.687 10.096 -2.524) 11.040 14.989 ( -1.988 13.671 0.756) 13.835 15.492 ( 1.186 -3.364 -0.722) 3.639 16.277 ( 1.783 6.184 -14.696) 16.043 16.486 ( 10.197 -23.108 0.339) 25.260 16.624 ( -13.726 -20.226 -2.415) 24.563 16.937 ( -2.618 15.584 5.992) 16.900 17.255 ( 14.067 10.271 -2.137) 17.548 17.572 ( -13.829 5.830 3.267) 15.359 18.182 ( -7.056 -7.263 -6.751) 12.170 18.413 ( 0.002 -17.587 -24.561) 30.208 18.638 ( 9.532 -10.592 -8.876) 16.788 20.351 ( -0.366 -11.201 28.602) 30.719 20.597 ( -10.612 6.377 2.910) 12.718 20.692 ( 13.582 5.580 7.683) 16.573 22.248 ( 0.414 -8.288 6.081) 10.288 23.551 ( 0.069 0.634 -5.881) 5.916 ======================= Grid point 145 (64/224) ======================= q-point: ( 0.11 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.136 ( 6.413 40.327 6.495) 41.347 3.630 ( 24.012 35.014 13.315) 44.495 5.184 ( 11.290 28.527 -9.238) 32.040 5.581 ( 18.808 40.900 19.391) 49.016 6.070 ( 5.045 17.306 -15.024) 23.467 6.574 ( -5.880 12.073 8.396) 15.837 7.210 ( -0.452 -12.683 -0.130) 12.691 7.334 ( -4.192 -2.343 -15.931) 16.639 7.859 ( 28.406 -1.360 3.928) 28.708 8.532 ( 1.682 2.732 -5.357) 6.244 9.148 ( -12.257 -1.010 -0.288) 12.302 9.631 ( 0.150 -0.907 1.752) 1.979 9.688 ( -26.555 12.840 2.957) 29.644 9.977 ( 0.757 16.007 -0.187) 16.026 10.407 ( 1.347 17.482 -4.817) 18.183 10.734 ( 15.392 8.114 4.090) 17.874 11.047 ( 8.553 -5.161 -5.432) 11.371 11.483 ( 1.561 -3.684 -6.919) 7.993 11.847 ( 3.554 5.921 3.458) 7.723 12.316 ( -2.560 -1.101 15.633) 15.879 12.521 ( 17.660 1.260 2.204) 17.841 13.064 ( 12.199 0.431 6.398) 13.782 13.222 ( 0.104 3.579 -2.138) 4.170 13.570 ( 23.958 -1.519 -1.061) 24.030 14.156 ( -9.712 7.486 -2.762) 12.569 14.675 ( 8.169 1.532 -3.107) 8.873 14.894 ( -4.816 14.287 1.735) 15.176 15.548 ( 2.739 -1.814 0.332) 3.302 16.243 ( -9.258 -13.570 -4.381) 17.002 16.304 ( -7.333 -0.608 -13.422) 15.306 16.603 ( -3.027 -22.330 1.183) 22.565 16.769 ( -14.748 7.053 4.971) 17.087 17.202 ( -9.787 13.421 4.197) 17.133 17.480 ( -2.153 8.793 -5.849) 10.778 17.980 ( -5.125 -10.001 -11.392) 16.002 18.404 ( 6.030 -15.001 -18.063) 24.242 18.745 ( 2.586 -8.380 -3.380) 9.399 20.313 ( -3.834 1.674 8.519) 9.491 20.497 ( -11.548 -11.437 25.606) 30.328 21.094 ( 22.887 6.852 1.696) 23.951 22.229 ( -4.705 -8.036 6.699) 11.472 23.464 ( -5.857 1.318 -7.888) 9.912 ======================= Grid point 146 (65/224) ======================= q-point: ( 0.22 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.422 ( 19.141 31.078 6.933) 37.152 4.179 ( 23.230 26.315 17.431) 39.191 5.421 ( 13.711 27.121 -9.373) 31.802 5.804 ( -2.207 14.104 2.543) 14.500 6.147 ( -7.251 5.112 3.716) 9.619 6.846 ( 38.459 33.041 4.738) 50.925 7.160 ( -3.384 -5.072 -3.628) 7.095 7.184 ( -0.417 4.616 -16.633) 17.267 8.333 ( 1.606 4.776 5.128) 7.189 8.802 ( 20.275 2.694 -5.188) 21.101 8.847 ( -3.511 4.197 1.897) 5.792 9.206 ( -12.563 7.095 1.384) 14.494 9.658 ( 2.193 3.276 0.609) 3.989 10.020 ( 1.842 13.200 -1.015) 13.366 10.424 ( 3.520 13.968 -3.440) 14.810 10.945 ( 5.228 0.270 -2.679) 5.881 11.203 ( 6.743 1.089 0.757) 6.872 11.464 ( 1.597 -3.709 -7.913) 8.884 12.030 ( 3.775 1.557 12.232) 12.896 12.393 ( 11.189 -0.233 6.522) 12.953 12.952 ( 21.981 -1.123 1.855) 22.088 13.173 ( -1.263 9.568 -1.449) 9.759 13.448 ( 18.297 4.747 7.170) 20.217 13.938 ( -8.056 6.072 -0.439) 10.098 14.218 ( 34.955 4.188 -1.866) 35.254 14.656 ( -4.401 7.811 -1.434) 9.080 14.945 ( 6.134 5.746 -1.420) 8.524 15.551 ( -3.838 0.663 1.003) 4.022 15.873 ( -22.274 -27.215 -0.825) 35.177 16.145 ( -8.437 7.269 -5.612) 12.471 16.156 ( -32.148 -14.924 0.948) 35.456 16.740 ( 4.644 0.999 -2.329) 5.291 17.065 ( -5.048 11.682 1.575) 12.823 17.409 ( 0.376 4.129 -5.726) 7.069 17.843 ( -7.089 -9.349 -8.498) 14.488 18.482 ( 7.291 -12.186 -12.129) 18.675 18.717 ( -3.723 -6.477 -1.560) 7.632 20.195 ( -23.866 -18.930 28.823) 41.936 20.419 ( 6.709 6.198 -0.371) 9.142 21.535 ( 17.979 2.754 1.219) 18.229 22.146 ( -3.888 -5.503 5.036) 8.412 23.268 ( -9.535 2.928 -10.719) 14.642 ======================= Grid point 147 (66/224) ======================= q-point: ( 0.33 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.928 ( 27.601 19.786 6.905) 34.655 4.697 ( 21.900 19.559 18.305) 34.601 5.463 ( -9.584 7.165 -8.247) 14.533 5.674 ( -14.526 17.463 -1.260) 22.750 6.048 ( 5.503 16.991 6.309) 18.942 6.935 ( -9.503 7.066 -1.580) 11.947 7.048 ( -3.250 -1.416 -12.586) 13.075 7.886 ( 34.974 19.876 -7.602) 40.940 8.200 ( -8.246 12.240 3.315) 15.126 8.640 ( -8.823 2.351 -0.766) 9.163 8.896 ( 15.368 17.987 4.699) 24.120 9.609 ( 7.216 8.081 -1.693) 10.965 9.978 ( 31.466 -1.021 0.832) 31.493 10.027 ( 9.826 9.160 -2.709) 13.704 10.531 ( 7.321 6.828 -0.474) 10.023 10.965 ( -0.587 0.768 -4.030) 4.144 11.204 ( -5.543 7.115 -1.012) 9.076 11.604 ( 12.508 -3.227 -5.160) 13.909 12.039 ( -4.705 -4.603 14.755) 16.156 12.710 ( 13.657 2.488 1.669) 13.982 13.018 ( -17.886 16.865 -0.207) 24.584 13.401 ( 19.074 -5.011 0.424) 19.726 13.619 ( 3.162 5.886 2.716) 7.213 13.967 ( 10.386 7.974 1.426) 13.172 14.674 ( 9.717 4.976 1.612) 11.036 14.934 ( 16.824 -1.698 1.464) 16.973 14.970 ( 4.222 24.428 -5.991) 25.503 15.203 ( -31.334 -10.670 1.098) 33.119 15.431 ( -18.205 -29.515 -1.399) 34.706 15.662 ( -7.395 1.333 2.986) 8.086 16.062 ( 1.328 -1.798 -0.273) 2.252 16.743 ( -5.390 8.354 -3.514) 10.545 17.091 ( 7.959 2.104 -1.067) 8.302 17.406 ( -2.538 2.327 -0.347) 3.460 17.641 ( -7.120 -14.380 -6.562) 17.335 18.564 ( 2.921 -8.407 -8.251) 12.137 18.630 ( -2.003 -5.163 1.021) 5.631 19.715 ( -32.051 -18.988 21.208) 42.867 20.630 ( 12.693 2.537 -0.559) 12.956 21.671 ( -5.179 -2.856 2.767) 6.530 22.254 ( 13.473 -0.824 0.421) 13.505 23.017 ( -10.373 4.720 -12.089) 16.614 ======================= Grid point 148 (67/224) ======================= q-point: ( 0.44 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.531 ( 28.964 9.307 5.682) 30.949 5.102 ( -21.138 2.159 -1.333) 21.290 5.197 ( -7.376 25.446 4.113) 26.811 5.227 ( 1.081 12.750 10.834) 16.766 6.322 ( 15.302 20.384 1.764) 25.550 6.686 ( -15.823 11.117 2.079) 19.449 6.989 ( 4.671 0.618 -18.040) 18.645 7.913 ( -6.960 14.511 6.365) 17.307 8.283 ( 3.679 9.126 -10.647) 14.497 8.486 ( -3.151 -3.133 0.094) 4.444 9.574 ( 11.755 17.657 -3.227) 21.456 9.744 ( 28.357 9.040 1.241) 29.789 10.008 ( 3.106 10.725 -2.715) 11.491 10.456 ( -9.527 5.065 -1.462) 10.888 10.767 ( 12.561 0.543 1.259) 12.636 10.939 ( 1.160 10.161 0.731) 10.253 11.112 ( 3.009 10.804 2.784) 11.556 11.761 ( 2.155 0.295 -4.879) 5.342 12.026 ( -1.123 -5.866 10.034) 11.677 12.521 ( -20.947 9.905 -0.123) 23.171 13.041 ( 21.078 5.919 0.400) 21.896 13.600 ( -5.357 -8.146 -2.026) 9.958 13.789 ( 8.441 -1.576 0.307) 8.592 14.217 ( 5.471 7.557 1.166) 9.402 14.311 ( -16.796 1.695 0.509) 16.889 14.669 ( -18.367 8.947 -0.068) 20.431 15.038 ( 9.296 -9.891 1.140) 13.622 15.219 ( -4.052 -23.980 -0.852) 24.335 15.453 ( 13.313 16.512 2.838) 21.400 15.590 ( -5.979 13.932 3.834) 15.638 16.266 ( 20.101 0.443 -3.841) 20.470 16.578 ( -7.588 5.845 -4.262) 10.484 17.113 ( -13.867 -0.650 7.908) 15.977 17.375 ( 7.478 -6.200 -1.073) 9.773 17.611 ( 4.844 -11.199 -4.414) 12.975 18.506 ( -3.880 -6.733 -0.655) 7.798 18.700 ( 6.004 -6.340 -0.167) 8.734 19.175 ( -25.602 -19.258 10.857) 33.826 20.864 ( 9.029 -1.124 -0.062) 9.099 21.516 ( -7.995 -1.548 2.644) 8.561 22.485 ( 4.103 -1.252 -7.317) 8.482 22.825 ( -0.037 5.602 -6.955) 8.931 ======================= Grid point 149 (68/224) ======================= q-point: (-0.44 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.566 ( -30.485 23.526 -8.765) 39.492 4.654 ( -24.703 16.017 11.030) 31.439 5.113 ( 25.627 0.304 1.540) 25.675 5.698 ( 17.202 14.199 15.509) 27.167 6.328 ( -18.838 16.680 3.039) 25.344 6.614 ( 13.322 13.112 -1.993) 18.798 7.089 ( 10.840 1.572 -15.917) 19.321 7.920 ( 4.914 15.707 8.110) 18.347 8.244 ( -0.172 -0.349 -13.408) 13.413 8.525 ( 5.030 2.087 2.044) 5.817 9.550 ( -3.567 12.281 -6.961) 14.560 9.626 ( -52.263 21.228 0.357) 56.411 10.000 ( 1.904 12.383 -2.326) 12.743 10.350 ( 5.388 -1.283 -3.558) 6.583 10.762 ( -11.906 -0.647 -3.564) 12.445 11.072 ( 1.706 9.477 8.257) 12.684 11.272 ( 6.322 8.739 8.427) 13.688 11.654 ( -4.539 0.096 -3.458) 5.707 12.000 ( -7.225 -2.374 2.962) 8.161 12.525 ( 22.181 11.080 0.108) 24.795 12.997 ( -19.613 4.560 -1.296) 20.178 13.598 ( -1.285 -9.518 -2.182) 9.849 13.743 ( -11.275 -4.513 -1.018) 12.188 14.214 ( -17.691 12.873 0.619) 21.888 14.332 ( 34.375 0.451 1.890) 34.430 14.726 ( 19.754 9.104 1.924) 21.836 15.105 ( -8.223 -15.186 2.931) 17.517 15.197 ( 5.466 -23.189 -1.256) 23.857 15.413 ( -10.564 15.275 2.530) 18.744 15.606 ( 3.068 18.341 3.092) 18.851 16.305 ( -19.712 9.306 -2.555) 21.948 16.689 ( 16.122 5.390 -1.687) 17.083 16.943 ( -0.193 -4.270 2.229) 4.821 17.476 ( 1.383 -3.889 4.907) 6.412 17.791 ( 12.759 -10.558 -0.791) 16.580 18.416 ( -3.367 -12.093 -2.160) 12.738 18.850 ( 1.052 -11.861 6.202) 13.426 18.902 ( 3.649 -14.518 0.159) 14.971 20.893 ( -7.062 -1.242 1.096) 7.254 21.487 ( 4.875 -0.982 1.343) 5.151 22.304 ( -12.454 3.401 -11.683) 17.412 22.989 ( 12.567 0.689 -3.058) 12.952 ======================= Grid point 150 (69/224) ======================= q-point: (-0.33 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.935 ( -28.431 34.476 -5.750) 45.056 4.235 ( -21.954 20.768 13.214) 32.983 5.573 ( 18.664 1.233 -3.483) 19.026 5.883 ( -7.830 20.925 7.275) 23.496 6.039 ( -5.341 12.559 6.391) 15.070 6.921 ( 16.879 5.628 0.990) 17.820 7.207 ( 3.477 3.222 -8.431) 9.672 7.967 ( -16.229 11.387 -8.852) 21.711 8.271 ( 3.937 2.556 -5.419) 7.170 8.556 ( -30.197 27.225 5.897) 41.083 8.676 ( 9.479 4.167 1.090) 10.411 9.472 ( -2.186 9.900 -6.700) 12.152 9.880 ( -26.828 5.020 -2.407) 27.400 10.181 ( -13.532 3.663 1.753) 14.128 10.433 ( -5.870 2.610 -6.176) 8.911 11.042 ( -3.398 -0.348 -1.882) 3.900 11.333 ( -2.467 0.433 5.443) 5.991 11.667 ( 0.612 4.039 5.038) 6.486 11.855 ( -3.884 -3.535 1.499) 5.461 12.713 ( -11.786 1.396 0.767) 11.893 13.046 ( 13.332 16.379 0.962) 21.141 13.298 ( -18.104 -4.476 -3.419) 18.960 13.521 ( -4.489 5.363 -0.111) 6.995 13.945 ( -9.835 10.443 0.611) 14.359 14.761 ( -11.418 7.627 4.087) 14.326 14.941 ( -11.001 -4.655 1.193) 12.005 15.212 ( 31.324 -13.906 2.190) 34.342 15.332 ( -3.118 19.646 7.359) 21.210 15.449 ( 17.489 -19.044 -1.258) 25.887 15.544 ( 3.337 6.236 -1.571) 7.245 16.020 ( 2.316 -0.593 -0.797) 2.520 16.806 ( -3.056 8.599 0.951) 9.175 17.006 ( 3.021 2.750 -5.099) 6.533 17.565 ( 5.409 0.487 6.882) 8.767 18.015 ( 8.160 -9.959 3.159) 13.257 18.413 ( 4.800 -13.777 -10.177) 17.788 18.829 ( 2.098 -14.002 -10.848) 17.836 19.215 ( 17.028 -16.551 19.431) 30.683 20.681 ( -12.302 2.589 1.483) 12.658 21.595 ( 0.619 0.000 -1.120) 1.279 22.024 ( -8.005 2.332 -7.301) 11.082 23.214 ( 11.112 -0.390 -4.615) 12.038 ======================= Grid point 151 (70/224) ======================= q-point: (-0.22 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.423 ( -20.208 41.268 -3.116) 46.056 3.876 ( -20.297 29.221 14.941) 38.588 5.513 ( -14.868 31.862 0.688) 35.167 5.891 ( -5.728 10.713 -3.531) 12.651 6.069 ( 8.425 3.319 6.982) 11.435 6.774 ( -37.614 29.291 1.053) 47.686 7.259 ( 8.353 -6.224 3.105) 10.870 7.497 ( -2.132 6.262 -17.403) 18.618 8.129 ( -11.926 4.343 6.284) 14.162 8.686 ( 3.546 -0.173 -8.692) 9.389 8.922 ( 14.607 4.589 0.214) 15.312 9.223 ( -11.438 7.897 4.348) 14.564 9.435 ( 0.994 6.028 -6.523) 8.937 10.086 ( -3.279 10.651 0.746) 11.169 10.353 ( -0.987 8.564 -6.247) 10.646 10.895 ( -9.882 0.794 -4.769) 11.001 11.294 ( -2.551 -7.470 3.162) 8.503 11.644 ( -2.625 2.914 1.750) 4.295 11.911 ( 4.319 0.279 9.938) 10.839 12.343 ( -22.512 4.055 1.128) 22.902 12.826 ( -19.719 -2.395 -2.256) 19.991 13.186 ( 1.794 7.757 -0.656) 7.988 13.320 ( -20.467 6.678 1.425) 21.576 14.018 ( 9.859 10.446 2.766) 14.628 14.402 ( -29.859 -2.087 3.967) 30.194 14.756 ( 2.307 13.092 3.275) 13.692 14.980 ( -17.058 7.497 -0.848) 18.652 15.496 ( 4.174 -0.971 -0.879) 4.374 15.828 ( 23.090 -27.989 -1.809) 36.329 16.119 ( 25.956 4.846 -0.079) 26.404 16.381 ( 26.015 -7.217 3.802) 27.264 16.648 ( -7.320 3.909 -6.039) 10.263 17.032 ( 0.618 10.040 0.697) 10.083 17.678 ( 2.637 5.444 6.036) 8.545 18.147 ( 4.384 -9.087 1.232) 10.164 18.465 ( 3.784 -12.650 -10.255) 16.719 18.796 ( 0.707 -16.426 -25.590) 30.417 19.679 ( 17.222 -18.086 32.339) 40.860 20.478 ( -7.194 6.008 1.875) 9.558 21.367 ( -18.437 7.310 -5.192) 20.502 22.033 ( 6.514 -4.931 0.490) 8.184 23.392 ( 8.780 0.123 -5.569) 10.398 ======================= Grid point 152 (71/224) ======================= q-point: (-0.11 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( -8.331 45.370 1.089) 46.141 3.516 ( -20.863 36.129 12.142) 43.451 5.259 ( -9.921 37.771 3.099) 39.175 5.477 ( -26.399 36.146 7.332) 45.356 6.146 ( -0.349 12.095 -14.261) 18.702 6.484 ( 4.748 11.028 8.150) 14.511 7.302 ( -5.351 -13.434 1.848) 14.578 7.477 ( 3.193 -0.326 -14.076) 14.437 7.762 ( -20.054 1.198 3.434) 20.381 8.556 ( -1.968 -2.866 -5.086) 6.161 9.184 ( 9.074 1.593 1.359) 9.313 9.485 ( 6.977 -1.799 -2.927) 7.777 9.584 ( 28.204 16.295 -0.427) 32.575 10.019 ( -2.942 13.264 0.772) 13.608 10.327 ( -0.199 11.717 -4.460) 12.539 10.656 ( -11.234 7.943 -2.899) 14.061 11.206 ( -9.437 -10.440 1.601) 14.164 11.565 ( -4.936 1.121 -2.167) 5.506 11.969 ( -4.660 8.064 3.046) 9.799 12.108 ( 1.741 0.253 11.988) 12.117 12.447 ( -15.172 0.343 -0.628) 15.189 12.946 ( -13.378 1.591 1.807) 13.593 13.253 ( 3.571 2.269 -0.210) 4.236 13.718 ( -29.149 -1.098 3.407) 29.368 14.256 ( 7.036 8.369 1.169) 10.996 14.679 ( -12.397 6.092 -3.169) 14.172 14.914 ( 7.680 13.214 2.532) 15.493 15.517 ( -1.431 -3.405 -0.706) 3.761 16.211 ( 16.682 -26.328 -1.100) 31.187 16.369 ( -5.358 5.253 -12.578) 14.646 16.648 ( 19.697 -1.550 0.369) 19.762 16.839 ( 8.650 -2.084 5.599) 10.512 17.035 ( 1.185 9.113 -0.850) 9.229 17.730 ( -1.081 8.673 4.169) 9.683 18.215 ( 2.655 -8.242 -0.694) 8.687 18.486 ( 2.032 -10.869 -3.299) 11.539 18.640 ( -2.465 -18.379 -37.057) 41.438 20.099 ( 10.398 -15.762 33.971) 38.866 20.465 ( 4.807 6.133 6.645) 10.241 20.946 ( -20.337 9.574 -3.557) 22.758 22.169 ( 5.168 -7.241 3.673) 9.624 23.515 ( 5.458 0.650 -5.561) 7.819 ======================= Grid point 153 (72/224) ======================= q-point: ( 0.00 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.019 ( -3.274 33.686 4.804) 34.184 4.045 ( 3.306 46.766 -5.456) 47.199 5.653 ( -1.512 27.232 -9.877) 29.007 5.993 ( 0.239 14.343 7.558) 16.214 6.458 ( 3.248 13.986 -5.782) 15.479 6.838 ( -1.041 -18.341 4.060) 18.814 7.011 ( -2.193 28.867 17.628) 33.895 7.382 ( -0.931 -2.402 -28.295) 28.412 7.466 ( 1.304 -4.742 0.677) 4.965 8.606 ( 0.992 4.455 10.073) 11.059 9.209 ( -1.793 -3.779 -0.716) 4.244 9.485 ( 3.879 -6.396 0.817) 7.525 10.189 ( -0.735 11.803 1.215) 11.888 10.477 ( -0.008 11.789 1.627) 11.900 10.637 ( 2.253 0.152 -5.534) 5.977 10.657 ( 12.005 16.186 -0.194) 20.153 10.892 ( -5.982 9.934 4.291) 12.365 11.533 ( -4.140 7.210 -3.061) 8.860 12.037 ( -5.620 3.623 1.238) 6.800 12.264 ( 2.704 1.391 9.359) 9.840 12.301 ( 3.155 1.191 1.521) 3.699 12.892 ( 5.264 0.681 3.008) 6.101 13.203 ( -7.634 -3.220 -0.807) 8.324 13.245 ( -1.017 -9.939 0.281) 9.995 14.420 ( -5.270 2.084 -1.930) 5.987 14.561 ( 2.822 -5.456 -2.259) 6.545 15.034 ( -2.560 -10.416 1.595) 10.844 15.300 ( 2.377 -14.482 0.712) 14.693 16.234 ( 7.050 0.733 0.170) 7.090 16.300 ( 0.661 3.567 -1.648) 3.984 16.409 ( -9.235 -4.104 -10.392) 14.496 17.348 ( -6.822 18.957 -6.537) 21.181 17.498 ( 18.459 9.944 -2.528) 21.119 17.765 ( -16.541 10.569 7.555) 21.033 18.058 ( -10.202 -7.346 -20.637) 24.164 18.079 ( 4.938 -6.810 -10.879) 13.752 18.442 ( 10.891 -7.399 0.294) 13.171 20.144 ( 0.585 -6.600 31.520) 32.209 20.719 ( -13.493 3.987 -0.276) 14.072 20.806 ( 14.479 4.116 3.696) 15.500 22.028 ( 0.334 -10.947 2.064) 11.145 23.484 ( 0.145 -8.014 -3.656) 8.810 ======================= Grid point 154 (73/224) ======================= q-point: ( 0.11 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.959 ( 1.797 38.145 -4.292) 38.428 4.321 ( 17.586 34.312 6.029) 39.024 5.746 ( 12.868 25.493 -10.663) 30.483 6.062 ( 3.609 14.458 4.884) 15.682 6.384 ( -8.709 3.861 0.575) 9.544 6.872 ( 6.028 -5.416 -2.066) 8.363 7.131 ( 3.975 15.635 11.568) 19.851 7.281 ( 4.540 7.938 -19.776) 21.788 7.804 ( 30.447 -3.798 1.516) 30.721 8.644 ( -0.552 6.767 8.032) 10.517 9.119 ( -6.921 -1.987 -0.571) 7.223 9.560 ( 2.163 -5.366 1.932) 6.100 9.986 ( -21.676 15.524 3.057) 26.837 10.334 ( -3.885 17.702 0.793) 18.141 10.634 ( 1.666 -0.743 -6.724) 6.967 10.886 ( 4.606 8.513 2.911) 10.107 10.984 ( 11.003 8.331 2.847) 14.092 11.525 ( -0.433 3.992 -6.370) 7.530 11.963 ( 3.407 5.951 1.851) 7.103 12.269 ( -3.569 -3.524 11.117) 12.196 12.543 ( 16.393 1.311 2.176) 16.589 13.074 ( 15.295 0.646 4.738) 16.025 13.244 ( 2.867 -3.402 -0.861) 4.531 13.495 ( 28.276 -4.259 -1.455) 28.632 14.240 ( -8.977 -0.027 -3.345) 9.580 14.636 ( 2.775 -6.780 -3.400) 8.076 14.961 ( -2.719 -9.328 1.793) 9.880 15.395 ( 5.188 -13.101 1.624) 14.184 15.992 ( -19.555 1.016 -0.957) 19.605 16.326 ( -3.053 0.131 -1.692) 3.493 16.440 ( 8.044 2.062 -10.798) 13.622 16.986 ( -25.358 12.426 -1.316) 28.269 17.513 ( -8.319 8.780 -6.370) 13.670 17.687 ( -3.937 13.062 -7.930) 15.780 17.809 ( -1.806 -6.220 -3.538) 7.381 18.150 ( 5.980 -5.361 -11.625) 14.130 18.585 ( 2.849 -6.515 1.102) 7.195 20.157 ( -10.952 -7.655 29.443) 32.333 20.539 ( -5.238 5.658 2.645) 8.151 21.176 ( 20.165 1.499 1.507) 20.277 22.011 ( -2.596 -10.950 2.396) 11.506 23.414 ( -5.377 -7.151 -4.569) 10.046 ======================= Grid point 155 (74/224) ======================= q-point: ( 0.22 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.061 ( 10.095 29.570 -4.091) 31.512 4.711 ( 17.715 27.400 9.328) 33.935 5.829 ( -6.815 7.670 -7.973) 12.994 6.100 ( -3.444 7.730 0.114) 8.463 6.349 ( 9.377 26.135 7.849) 28.854 6.987 ( 4.424 -7.478 -10.675) 13.764 7.119 ( -1.084 -2.149 -9.814) 10.105 7.637 ( 31.736 28.606 2.907) 42.825 8.441 ( 11.161 4.039 9.953) 15.490 8.814 ( 31.714 0.760 -2.003) 31.787 8.945 ( -9.724 3.062 1.666) 10.330 9.397 ( -17.800 8.278 2.161) 19.749 9.746 ( 1.665 7.747 2.261) 8.240 10.314 ( -0.025 15.460 -1.145) 15.502 10.650 ( 2.167 5.692 -5.098) 7.943 10.978 ( 4.697 7.609 -0.534) 8.957 11.201 ( 8.244 -0.467 4.227) 9.276 11.415 ( -2.878 -1.989 -7.962) 8.697 12.025 ( -6.021 -2.535 10.239) 12.145 12.403 ( 15.864 1.055 3.158) 16.210 12.912 ( 18.499 -1.639 1.961) 18.674 13.329 ( 6.189 2.851 1.067) 6.897 13.547 ( 25.371 7.038 4.346) 26.686 13.982 ( 2.455 -3.477 -1.173) 4.415 14.166 ( 15.728 -7.080 -0.711) 17.262 14.695 ( 8.557 -3.465 -2.820) 9.653 14.944 ( 0.013 -12.996 -0.827) 13.023 15.506 ( -2.152 4.354 1.405) 5.056 15.559 ( -16.205 -9.702 0.409) 18.892 16.041 ( -24.626 6.702 -2.026) 25.602 16.304 ( -18.145 7.989 -6.898) 20.992 16.756 ( 6.092 1.711 -1.952) 6.622 17.352 ( -1.451 -1.032 -13.271) 13.389 17.483 ( -10.765 16.812 -0.918) 19.984 17.758 ( -8.354 -0.009 -0.792) 8.392 18.249 ( 8.978 -8.741 -9.836) 15.930 18.579 ( -3.221 -6.536 1.017) 7.357 19.923 ( -24.656 -8.566 27.920) 38.221 20.544 ( 5.325 6.710 -0.316) 8.572 21.545 ( 13.004 -0.945 1.036) 13.079 21.984 ( 1.577 -9.086 1.609) 9.361 23.244 ( -9.086 -5.970 -5.869) 12.354 ======================= Grid point 156 (75/224) ======================= q-point: ( 0.33 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.319 ( 16.480 17.046 -2.103) 23.803 5.113 ( 18.738 22.336 10.730) 31.067 5.508 ( -19.410 -3.402 -1.795) 19.787 5.996 ( -7.696 17.012 -2.864) 18.890 6.611 ( 11.360 33.519 7.352) 36.147 6.960 ( 1.107 -6.429 -18.965) 20.056 7.059 ( -3.641 5.030 -1.191) 6.323 8.195 ( 7.877 10.568 5.478) 14.274 8.477 ( 3.389 13.867 0.578) 14.287 8.707 ( -14.905 4.288 -1.526) 15.584 9.254 ( 21.175 12.774 4.130) 25.072 9.742 ( 22.607 4.032 -0.686) 22.974 9.916 ( 28.949 -0.948 1.789) 29.019 10.295 ( -0.543 14.890 -3.291) 15.259 10.660 ( -0.589 5.088 -2.393) 5.653 11.086 ( 6.328 11.205 -2.481) 13.105 11.244 ( 0.256 -1.732 -1.225) 2.136 11.531 ( 13.441 -3.516 -2.521) 14.120 11.909 ( -7.731 -7.963 10.543) 15.308 12.724 ( 14.087 -1.499 2.351) 14.361 13.278 ( 15.910 -0.269 0.282) 15.915 13.385 ( -7.886 9.145 -1.309) 12.146 13.713 ( -9.117 5.895 3.644) 11.452 14.087 ( 12.685 2.205 0.831) 12.902 14.446 ( 5.520 -21.380 0.951) 22.102 14.811 ( -5.637 -15.060 0.184) 16.082 14.943 ( -8.385 -5.915 0.855) 10.297 15.183 ( -5.206 10.433 -2.786) 11.988 15.591 ( 2.793 20.851 -4.359) 21.484 15.708 ( 9.025 1.432 3.204) 9.684 16.020 ( -6.274 0.391 -0.469) 6.304 16.866 ( 2.299 3.627 -7.078) 8.279 17.269 ( -8.475 13.381 2.801) 16.085 17.332 ( -2.240 -12.669 -6.421) 14.379 17.512 ( -10.197 5.350 -1.454) 11.606 18.398 ( 7.633 -7.585 -7.047) 12.863 18.501 ( -3.624 -6.829 1.329) 7.844 19.426 ( -33.314 -9.519 20.277) 40.144 20.705 ( 9.576 5.541 -0.571) 11.078 21.606 ( -4.779 -1.986 1.819) 5.485 22.171 ( 14.147 -7.260 -0.762) 15.919 23.023 ( -9.919 -4.645 -6.614) 12.795 ======================= Grid point 157 (76/224) ======================= q-point: ( 0.44 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.679 ( 19.575 4.773 -0.671) 20.160 5.105 ( -19.559 -2.255 -0.728) 19.702 5.521 ( 12.254 17.626 10.517) 23.905 5.765 ( -9.589 28.789 0.288) 30.346 6.821 ( 5.101 24.229 5.685) 25.404 6.918 ( -4.222 6.283 -6.403) 9.915 6.981 ( 5.292 5.829 -14.761) 16.729 8.161 ( -5.831 7.263 12.650) 15.709 8.397 ( -8.600 6.009 -10.306) 14.707 8.588 ( 1.952 10.101 2.945) 10.701 9.802 ( 11.500 0.339 -1.440) 11.594 9.912 ( 15.308 13.266 -2.800) 20.449 10.245 ( 0.825 12.848 -4.433) 13.616 10.490 ( -4.989 -0.745 -2.441) 5.604 10.690 ( 15.439 -5.308 3.160) 16.629 11.199 ( 6.213 5.882 0.393) 8.564 11.320 ( 5.206 8.957 -1.696) 10.498 11.769 ( -0.111 -4.981 5.673) 7.550 11.929 ( 17.080 4.089 1.978) 17.674 12.789 ( -30.531 13.430 1.226) 33.377 13.131 ( 18.668 4.869 -0.294) 19.295 13.429 ( -3.644 -6.317 -3.500) 8.089 13.670 ( -1.838 -6.912 0.823) 7.199 14.122 ( -21.959 -11.116 0.275) 24.614 14.219 ( -1.110 -17.103 1.030) 17.170 14.757 ( 0.331 0.052 0.826) 0.891 14.870 ( 6.518 -4.764 0.732) 8.106 15.131 ( -2.997 16.838 -0.512) 17.110 15.833 ( 6.171 11.142 -1.310) 12.804 15.918 ( 7.458 17.669 7.829) 20.715 16.251 ( 28.108 0.156 -4.558) 28.475 16.714 ( -9.944 5.725 -3.636) 12.036 17.047 ( -17.793 -7.822 5.221) 20.125 17.274 ( 5.121 -1.581 2.674) 5.989 17.520 ( 6.211 2.860 -4.408) 8.136 18.367 ( -7.515 -6.913 1.286) 10.291 18.559 ( 6.138 -6.838 -1.609) 9.329 18.849 ( -26.027 -11.970 7.132) 29.522 20.874 ( 6.143 3.037 -0.160) 6.855 21.495 ( -5.037 0.645 1.780) 5.381 22.395 ( 5.646 -7.869 -4.423) 10.647 22.845 ( -2.922 -3.949 -4.657) 6.769 ======================= Grid point 158 (77/224) ======================= q-point: (-0.44 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.738 ( -16.233 3.687 -1.941) 16.759 5.069 ( 16.565 -1.652 -0.864) 16.669 5.293 ( -18.328 32.288 3.377) 37.281 6.015 ( 14.853 16.953 10.925) 25.048 6.736 ( -11.122 20.947 3.486) 23.972 6.890 ( 4.190 10.524 -3.129) 11.752 7.138 ( 11.904 6.439 -15.993) 20.951 8.117 ( -3.770 -1.505 4.772) 6.265 8.299 ( 3.695 12.296 -4.319) 13.546 8.657 ( 3.975 7.929 3.512) 9.540 9.762 ( -10.172 7.149 -2.896) 12.766 9.900 ( -25.339 8.723 -2.342) 26.901 10.255 ( 1.794 11.983 -3.287) 12.554 10.352 ( 1.701 1.017 -6.602) 6.893 10.741 ( -13.840 -1.849 0.586) 13.975 11.296 ( -1.691 10.916 3.736) 11.660 11.326 ( -4.054 -2.943 1.833) 5.334 11.666 ( -6.446 -2.605 2.462) 7.375 11.955 ( -16.128 1.393 1.496) 16.257 12.835 ( 30.462 13.278 2.460) 33.321 13.060 ( -15.976 5.967 -3.005) 17.317 13.420 ( -2.399 -6.011 -3.883) 7.547 13.594 ( -1.667 -6.986 -1.644) 7.367 14.190 ( 24.648 -12.875 2.875) 27.956 14.250 ( 2.348 -15.481 2.037) 15.790 14.716 ( -3.970 5.645 -0.591) 6.927 14.850 ( -3.923 -10.511 0.063) 11.219 15.245 ( 8.403 17.935 3.178) 20.060 15.750 ( -10.359 14.633 0.214) 17.930 15.933 ( -6.045 10.696 2.955) 12.637 16.438 ( -20.189 5.146 2.862) 21.030 16.822 ( 25.113 4.856 -3.576) 25.827 16.937 ( 3.942 3.921 5.112) 7.553 17.384 ( 4.646 -6.253 6.734) 10.298 17.677 ( 9.012 1.787 1.066) 9.249 18.157 ( -7.544 -12.593 -3.732) 15.147 18.585 ( -2.844 -12.747 -6.245) 14.477 18.692 ( 7.829 -6.508 4.936) 11.314 20.895 ( -4.411 2.550 0.643) 5.135 21.480 ( 3.206 1.266 1.217) 3.655 22.292 ( -10.615 -4.799 -7.463) 13.835 22.928 ( 9.713 -7.069 -2.274) 12.227 ======================= Grid point 159 (78/224) ======================= q-point: (-0.33 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.439 ( -12.329 14.514 -5.999) 19.966 4.836 ( -20.373 37.424 7.300) 43.231 5.517 ( 20.656 -5.171 -1.470) 21.344 6.212 ( 0.603 13.160 6.316) 14.610 6.524 ( -11.998 29.799 7.102) 32.900 7.014 ( 8.239 2.838 -1.460) 8.836 7.257 ( 5.142 2.271 -13.524) 14.646 8.046 ( -4.676 -1.181 -3.704) 6.081 8.431 ( 4.295 11.284 -2.135) 12.261 8.783 ( 6.489 4.926 4.546) 9.329 9.048 ( -37.138 17.567 0.774) 41.090 9.670 ( -6.450 9.835 -4.128) 12.465 9.928 ( -38.306 0.753 1.463) 38.342 10.320 ( 0.488 8.476 -1.069) 8.557 10.542 ( 1.846 7.455 -9.782) 12.437 11.071 ( -12.197 5.804 -2.665) 13.768 11.291 ( -4.140 -3.786 5.165) 7.626 11.672 ( -2.890 -4.501 4.330) 6.882 11.770 ( 1.873 -3.550 1.543) 4.300 12.694 ( -12.086 -3.981 0.346) 12.730 13.178 ( -18.163 -1.614 -3.970) 18.662 13.355 ( 0.078 5.379 -1.456) 5.573 13.703 ( 16.422 14.854 2.812) 22.321 14.126 ( -12.645 5.106 2.091) 13.797 14.497 ( -4.137 -22.842 2.576) 23.356 14.758 ( 8.620 -18.757 -1.806) 20.722 15.004 ( 8.977 0.299 3.985) 9.826 15.291 ( 6.232 5.730 1.592) 8.615 15.607 ( -6.732 4.284 -2.100) 8.252 15.985 ( -16.045 15.483 5.772) 23.033 16.012 ( 15.801 11.693 4.490) 20.163 16.915 ( -7.619 2.556 -3.414) 8.731 17.210 ( 13.556 16.322 0.370) 21.220 17.615 ( 14.181 -0.403 5.683) 15.282 17.795 ( 2.362 -8.871 8.168) 12.288 18.143 ( 6.217 -11.430 -17.342) 21.680 18.541 ( 0.553 -14.666 -12.963) 19.582 18.985 ( 17.514 -4.926 17.779) 25.438 20.749 ( -9.051 4.844 1.099) 10.324 21.572 ( 2.940 -0.688 0.432) 3.050 22.017 ( -11.890 -3.450 -6.016) 13.765 23.126 ( 10.423 -8.574 -2.890) 13.803 ======================= Grid point 160 (79/224) ======================= q-point: (-0.22 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.188 ( -9.454 29.345 -9.365) 32.221 4.518 ( -15.538 37.425 10.375) 41.829 5.901 ( 17.304 -2.373 -5.373) 18.274 6.141 ( -7.365 13.120 2.865) 15.316 6.305 ( -13.085 28.576 8.051) 32.444 7.118 ( 0.030 -7.323 0.788) 7.366 7.187 ( -10.049 7.454 -3.818) 13.082 7.716 ( -18.824 14.186 -16.944) 29.030 8.264 ( -15.761 9.359 14.780) 23.546 8.632 ( -15.909 -4.728 -10.617) 19.702 9.000 ( 10.109 2.631 2.467) 10.733 9.384 ( -2.090 3.956 3.259) 5.535 9.622 ( 3.082 14.914 -1.064) 15.266 10.317 ( -0.723 11.414 0.817) 11.466 10.564 ( 3.229 11.057 -10.312) 15.460 10.853 ( -8.326 -2.913 -4.523) 9.913 11.187 ( -7.855 -0.224 4.272) 8.944 11.637 ( 1.247 -3.294 1.693) 3.908 11.919 ( 7.467 -0.700 6.214) 9.740 12.420 ( -16.990 2.023 1.966) 17.223 12.775 ( -18.296 -0.968 -2.811) 18.536 13.270 ( -5.009 -0.031 -0.548) 5.039 13.527 ( -25.714 12.857 1.647) 28.797 14.120 ( -6.874 -3.292 4.165) 8.685 14.268 ( -6.378 -7.758 2.606) 10.376 14.846 ( 0.863 -8.111 3.016) 8.696 14.986 ( -15.785 -10.247 1.398) 18.871 15.436 ( -3.904 1.024 -1.755) 4.401 15.504 ( 21.537 -2.430 -1.727) 21.742 16.213 ( 20.437 7.532 4.238) 22.190 16.464 ( 24.060 11.447 1.174) 26.670 16.704 ( -7.610 3.365 -5.412) 9.926 17.395 ( 5.089 23.200 1.487) 23.798 17.825 ( 5.886 5.751 3.965) 9.135 17.926 ( 5.741 -11.871 5.022) 14.110 18.183 ( 5.779 -13.856 -19.045) 24.250 18.470 ( -1.894 -15.012 -17.741) 23.317 19.464 ( 18.960 -3.262 27.054) 33.197 20.595 ( -5.554 6.019 1.524) 8.331 21.446 ( -15.381 0.968 -2.790) 15.662 21.907 ( 2.411 -6.511 -0.946) 7.007 23.308 ( 8.821 -8.765 -3.313) 12.869 ======================= Grid point 161 (80/224) ======================= q-point: (-0.11 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.016 ( -3.713 37.894 -5.884) 38.527 4.255 ( -14.341 39.466 5.271) 42.320 5.873 ( -14.306 26.285 -7.257) 30.794 6.018 ( -5.694 15.992 6.234) 18.084 6.313 ( 11.122 0.134 -0.427) 11.131 6.901 ( -9.500 12.497 2.548) 15.903 7.079 ( -6.784 2.602 8.170) 10.934 7.469 ( -2.071 2.689 -19.568) 19.860 7.767 ( -25.969 -0.578 -1.481) 26.018 8.532 ( 2.054 0.386 6.756) 7.072 9.179 ( 5.353 -1.927 1.915) 6.003 9.422 ( 2.188 -4.079 -2.322) 5.178 9.947 ( 23.189 18.037 2.696) 29.501 10.319 ( 1.875 14.975 0.822) 15.114 10.581 ( 2.306 12.484 -7.958) 14.983 10.703 ( -4.490 -5.890 -4.911) 8.887 11.040 ( -8.490 4.257 4.922) 10.697 11.667 ( -2.895 4.681 1.015) 5.597 12.080 ( 2.794 -3.297 6.893) 8.136 12.135 ( -4.587 7.915 2.459) 9.473 12.451 ( -13.313 0.508 -0.759) 13.344 13.000 ( -17.892 3.454 1.858) 18.317 13.250 ( -2.050 -3.530 -0.720) 4.145 13.649 ( -29.221 -4.656 4.027) 29.862 14.361 ( 6.164 1.963 1.392) 6.617 14.687 ( -10.513 -7.190 -2.307) 12.944 14.965 ( 6.403 -11.149 2.632) 13.124 15.339 ( -4.301 -12.809 -0.606) 13.525 15.957 ( 19.749 4.543 -1.280) 20.305 16.328 ( -4.112 -1.995 -2.626) 5.271 16.615 ( -2.906 2.260 -3.702) 5.221 17.017 ( 27.707 12.234 -1.334) 30.317 17.434 ( -0.999 23.949 -1.077) 23.994 17.945 ( -1.717 6.299 6.241) 9.032 18.017 ( 6.707 -7.195 -5.776) 11.407 18.235 ( 7.731 -13.087 -12.648) 19.774 18.313 ( -6.818 -10.858 -17.035) 21.321 19.892 ( 11.288 -4.445 30.857) 33.156 20.590 ( 4.779 5.436 3.368) 7.983 21.068 ( -19.239 2.623 -2.437) 19.569 21.982 ( 3.445 -9.254 1.071) 9.932 23.440 ( 5.416 -8.499 -3.382) 10.630 ======================= Grid point 162 (81/224) ======================= q-point: ( 0.00 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.651 ( -0.195 29.387 2.852) 29.525 4.998 ( 0.405 45.311 -15.206) 47.796 6.112 ( -3.271 7.808 -9.590) 12.791 6.202 ( 2.451 7.735 -0.685) 8.143 6.461 ( 7.265 -5.349 5.679) 10.660 6.590 ( -6.654 -0.005 0.627) 6.684 7.062 ( 0.556 -15.072 -20.134) 25.157 7.338 ( 0.315 -8.135 0.099) 8.142 7.805 ( -1.120 27.028 9.262) 28.593 8.652 ( 1.189 -2.237 19.282) 19.447 9.130 ( -1.590 -2.801 -0.464) 3.253 9.345 ( 3.080 -7.020 0.645) 7.693 10.405 ( 1.385 9.984 1.300) 10.163 10.590 ( -0.515 9.412 -1.294) 9.515 10.707 ( 0.845 6.762 1.839) 7.059 11.053 ( 11.589 15.353 -0.202) 19.237 11.208 ( -3.967 16.417 3.260) 17.201 11.695 ( -5.947 7.882 -2.325) 10.144 12.014 ( 1.636 -4.818 3.523) 6.189 12.322 ( -5.488 5.426 3.695) 8.557 12.383 ( 7.597 5.315 -0.812) 9.307 12.878 ( 2.529 -9.228 1.427) 9.674 12.981 ( -0.687 -7.244 1.527) 7.435 13.143 ( -8.409 -2.248 0.294) 8.709 14.242 ( -4.243 -18.856 -3.146) 19.582 14.414 ( 0.967 -11.601 -0.372) 11.647 14.754 ( 0.393 -8.311 2.170) 8.599 15.043 ( 0.686 -9.596 0.433) 9.630 16.312 ( 1.555 4.145 -6.427) 7.804 16.450 ( 1.464 9.601 -5.170) 11.002 16.481 ( -6.206 9.822 -0.712) 11.640 17.318 ( 6.011 -18.026 -16.624) 25.247 17.660 ( -6.813 2.518 -6.881) 10.005 17.751 ( -5.500 -5.444 -5.803) 9.673 18.184 ( 4.645 12.218 -2.133) 13.244 18.252 ( -3.254 15.954 0.316) 16.286 18.454 ( 7.198 15.003 7.018) 18.060 19.974 ( 0.471 -12.967 20.723) 24.450 20.744 ( -6.367 -0.966 -0.181) 6.442 20.864 ( 7.127 0.208 4.050) 8.200 21.930 ( 0.150 4.954 0.203) 4.961 23.215 ( 0.160 -18.055 -0.788) 18.073 ======================= Grid point 163 (82/224) ======================= q-point: ( 0.11 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.633 ( -1.920 28.603 -2.794) 28.803 5.084 ( 11.923 39.528 -8.349) 42.123 6.035 ( -6.777 -5.094 -5.131) 9.910 6.224 ( 0.009 3.240 -1.189) 3.451 6.561 ( 14.926 21.738 0.832) 26.383 6.717 ( 9.695 -5.932 -2.247) 11.586 6.994 ( 1.851 -14.466 -18.826) 23.814 7.623 ( 24.088 -5.109 3.535) 24.876 7.906 ( 9.912 21.947 9.481) 25.881 8.725 ( -0.921 -1.657 16.365) 16.475 9.076 ( -3.608 -0.596 -0.441) 3.683 9.427 ( 3.763 -7.316 1.555) 8.373 10.307 ( -13.819 15.620 3.353) 21.123 10.597 ( 0.821 8.654 1.586) 8.836 10.726 ( 2.015 13.433 -1.876) 13.713 11.100 ( -0.744 9.217 3.034) 9.732 11.195 ( 0.308 10.021 1.585) 10.150 11.593 ( -6.506 3.139 -4.843) 8.697 12.043 ( -1.718 -1.980 4.341) 5.071 12.223 ( -0.066 2.005 2.623) 3.302 12.590 ( 12.894 3.315 2.241) 13.501 12.971 ( 10.118 -13.800 3.467) 17.460 13.192 ( 21.506 4.153 0.281) 21.905 13.443 ( 26.484 -1.040 -1.438) 26.544 14.098 ( -7.470 -13.853 -3.678) 16.163 14.397 ( -0.739 -16.545 -1.346) 16.616 14.757 ( -0.990 -5.462 1.211) 5.681 15.081 ( 2.358 -14.393 0.523) 14.594 16.152 ( -11.647 9.560 -5.441) 16.020 16.393 ( -0.084 4.997 0.016) 4.998 16.568 ( 6.288 10.133 -7.761) 14.229 17.210 ( -27.917 8.487 -5.311) 29.658 17.391 ( -0.395 -13.323 -22.264) 25.949 17.582 ( -3.073 -12.103 -1.987) 12.645 18.140 ( -7.171 21.219 1.831) 22.473 18.259 ( 0.122 9.761 -1.706) 9.909 18.552 ( -0.611 7.409 6.394) 9.806 19.968 ( -9.685 -13.609 21.607) 27.310 20.651 ( -1.045 5.211 1.475) 5.516 21.158 ( 17.662 -4.292 1.959) 18.282 21.909 ( -2.221 4.635 0.242) 5.146 23.162 ( -5.005 -17.299 -1.179) 18.047 ======================= Grid point 164 (83/224) ======================= q-point: ( 0.22 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.588 ( -0.148 22.409 -4.776) 22.913 5.325 ( 13.219 31.143 -2.651) 33.936 5.740 ( -17.563 -11.301 -1.080) 20.912 6.293 ( 5.748 11.282 -5.005) 13.615 6.806 ( 3.518 -9.936 -15.762) 18.961 6.997 ( 16.309 26.107 6.941) 31.555 7.030 ( 10.156 -0.992 -5.778) 11.726 8.060 ( 18.657 11.653 9.132) 23.818 8.446 ( 29.178 -2.664 5.212) 29.759 8.820 ( 12.978 -3.668 3.707) 13.987 8.986 ( -3.586 4.169 1.425) 5.681 9.437 ( -5.072 -3.390 1.920) 6.395 10.029 ( -8.455 17.919 3.381) 20.100 10.615 ( -0.198 11.390 1.706) 11.519 10.789 ( 3.984 12.696 -4.719) 14.118 11.138 ( -0.972 -4.159 3.800) 5.717 11.220 ( 4.871 6.856 -0.767) 8.445 11.429 ( -3.333 8.067 -3.818) 9.527 11.919 ( -10.189 -7.677 5.034) 13.715 12.388 ( 10.913 -4.133 2.318) 11.897 12.934 ( 19.999 4.514 2.042) 20.603 13.274 ( 14.572 -6.069 4.154) 16.323 13.743 ( 27.803 10.169 1.038) 29.623 13.801 ( 5.762 -11.613 -0.875) 12.994 13.988 ( -0.166 -9.523 -1.167) 9.596 14.554 ( 20.224 -10.452 -1.959) 22.849 14.715 ( -3.130 -5.240 -0.999) 6.185 15.140 ( 3.522 -19.412 0.192) 19.730 15.884 ( -15.283 18.455 -0.241) 23.963 16.230 ( -16.213 8.380 -1.072) 18.282 16.492 ( -19.269 10.683 -9.315) 23.921 16.830 ( 3.796 5.816 -1.105) 7.033 17.159 ( -7.147 -11.893 -16.940) 21.898 17.616 ( -0.901 -12.966 -4.550) 13.770 17.987 ( -9.130 23.695 1.706) 25.451 18.210 ( -0.656 3.346 -2.713) 4.358 18.496 ( -6.321 0.940 4.759) 7.968 19.733 ( -22.992 -13.131 21.281) 33.969 20.720 ( 7.068 10.824 0.046) 12.927 21.519 ( 15.983 -4.068 0.838) 16.513 21.859 ( -1.785 1.498 -0.004) 2.330 23.016 ( -8.515 -16.099 -2.093) 18.332 ======================= Grid point 165 (84/224) ======================= q-point: ( 0.33 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.613 ( 4.518 12.486 -2.990) 13.611 5.340 ( -16.771 -9.526 1.048) 19.316 5.639 ( 13.921 25.557 -1.428) 29.137 6.363 ( 2.300 17.988 -3.367) 18.444 6.794 ( 3.500 -9.617 -19.338) 21.879 7.091 ( 2.452 0.490 -0.172) 2.507 7.325 ( 7.467 31.164 9.694) 33.480 8.331 ( -2.155 2.228 11.181) 11.603 8.733 ( 7.273 10.281 -0.359) 12.599 8.788 ( -10.094 3.893 -0.421) 10.827 9.373 ( 15.176 0.759 1.143) 15.238 9.690 ( 44.417 -7.410 -1.256) 45.049 10.046 ( 6.028 12.026 1.584) 13.545 10.606 ( -0.907 13.576 -0.713) 13.625 10.755 ( -6.317 4.093 -2.726) 8.005 11.095 ( -1.014 -4.861 -2.052) 5.373 11.320 ( 3.400 -4.462 -2.645) 6.202 11.608 ( 22.112 18.889 2.983) 29.234 11.725 ( -10.499 -9.512 4.785) 14.953 12.634 ( 13.427 -7.333 2.571) 15.514 13.288 ( 10.150 3.306 -1.116) 10.733 13.448 ( 3.327 -1.804 1.593) 4.106 13.766 ( -5.568 -5.295 1.119) 7.765 13.966 ( 1.230 -18.678 0.512) 18.725 14.235 ( -0.693 11.036 0.530) 11.070 14.639 ( 3.501 -1.085 0.111) 3.667 14.864 ( -2.341 -4.193 -0.213) 4.807 15.221 ( 9.657 -11.555 1.562) 15.140 15.736 ( 8.164 12.225 -2.582) 14.925 15.985 ( 4.325 11.794 -1.792) 12.689 16.137 ( -12.984 9.738 -0.864) 16.254 16.906 ( -2.391 -2.840 -10.754) 11.377 17.050 ( 0.331 -8.518 0.217) 8.527 17.453 ( -10.799 -3.112 -2.882) 11.602 17.769 ( -11.832 22.167 1.251) 25.159 18.281 ( 6.776 -3.575 -3.941) 8.615 18.382 ( -5.258 -3.710 2.135) 6.780 19.242 ( -32.405 -11.301 16.187) 37.945 20.888 ( 8.719 12.840 -0.450) 15.527 21.660 ( -2.211 8.021 0.763) 8.355 21.963 ( 12.068 -12.481 -0.975) 17.389 22.824 ( -9.206 -14.630 -2.953) 17.536 ======================= Grid point 166 (85/224) ======================= q-point: ( 0.44 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.747 ( 9.607 2.609 -1.267) 10.036 5.020 ( -14.158 -5.499 0.169) 15.189 5.924 ( 11.542 20.571 2.670) 23.738 6.338 ( -3.049 26.404 -1.215) 26.607 6.824 ( 7.334 -7.142 -17.797) 20.531 7.108 ( -0.648 5.219 0.186) 5.263 7.435 ( 1.421 26.178 5.707) 26.830 8.203 ( -10.349 -1.212 7.189) 12.659 8.595 ( -6.240 10.814 -1.245) 12.547 8.777 ( -0.884 7.251 3.776) 8.223 9.784 ( 17.895 0.698 -3.590) 18.264 10.189 ( 7.503 12.643 -1.907) 14.825 10.411 ( 17.946 -2.603 0.994) 18.161 10.486 ( -13.530 1.689 -2.793) 13.918 10.657 ( 4.913 7.372 -1.348) 8.961 11.156 ( 7.835 -6.032 -4.248) 10.762 11.313 ( -2.983 -11.515 -0.403) 11.902 11.557 ( -7.647 -11.260 5.321) 14.614 12.249 ( 36.485 20.439 3.052) 41.931 12.882 ( -1.872 -2.850 1.310) 3.653 13.252 ( -3.710 2.265 -2.623) 5.077 13.472 ( -5.295 8.370 -2.453) 10.203 13.587 ( -10.297 0.882 0.998) 10.382 13.845 ( -11.253 -14.767 0.721) 18.580 13.890 ( -10.245 -8.789 0.438) 13.506 14.599 ( -8.457 -9.184 -0.143) 12.485 15.004 ( 18.236 9.375 1.518) 20.561 15.459 ( 0.564 10.061 1.020) 10.129 15.912 ( 5.950 -0.747 -0.285) 6.004 16.154 ( 18.300 10.189 2.599) 21.106 16.373 ( 21.246 6.789 0.811) 22.319 16.647 ( -13.039 -11.383 -2.174) 17.444 17.025 ( -7.189 6.396 1.860) 9.800 17.266 ( -4.807 -0.229 3.600) 6.010 17.654 ( 2.615 9.311 -4.278) 10.575 18.235 ( -10.452 -5.404 2.754) 12.085 18.435 ( 6.782 -5.275 -1.863) 8.791 18.655 ( -26.223 -9.017 4.016) 28.019 21.027 ( 4.502 12.508 -0.386) 13.299 21.593 ( -2.903 9.796 0.618) 10.236 22.161 ( 5.719 -14.865 -2.608) 16.139 22.663 ( -3.965 -13.532 -2.643) 14.346 ======================= Grid point 167 (86/224) ======================= q-point: (-0.44 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.786 ( -8.185 1.643 -0.271) 8.353 4.990 ( 14.052 -4.794 -0.733) 14.865 5.946 ( -10.346 29.575 0.955) 31.347 6.378 ( 7.039 18.046 2.057) 19.480 6.930 ( 8.095 -2.655 -10.099) 13.213 7.072 ( -2.719 8.391 -0.288) 8.825 7.446 ( -1.240 20.119 -1.274) 20.197 8.055 ( -5.573 -3.018 3.500) 7.240 8.560 ( 2.551 11.230 0.038) 11.516 8.787 ( 0.757 3.935 3.598) 5.385 9.858 ( -15.290 5.168 0.183) 16.140 10.075 ( -13.355 7.208 -4.578) 15.851 10.373 ( 4.689 3.675 -5.705) 8.248 10.481 ( -5.802 6.539 0.487) 8.756 10.697 ( -8.218 -1.183 -1.438) 8.426 11.173 ( 0.048 -7.898 -0.613) 7.922 11.392 ( 6.209 -7.324 -1.065) 9.661 11.489 ( 0.770 -10.031 3.953) 10.809 12.170 ( -38.394 17.110 0.822) 42.042 12.832 ( -8.557 -6.255 -1.235) 10.672 13.262 ( 5.087 3.034 -2.538) 6.444 13.460 ( 1.672 2.217 -2.285) 3.596 13.558 ( 14.608 10.759 0.215) 18.144 13.892 ( 13.156 -13.843 2.609) 19.275 13.915 ( 11.105 -10.924 1.037) 15.612 14.640 ( 12.380 -8.110 1.292) 14.856 14.946 ( -20.439 10.396 -0.355) 22.934 15.506 ( -4.867 3.010 2.198) 6.130 15.890 ( 1.586 3.523 -0.976) 3.985 16.203 ( -18.756 17.685 5.438) 26.346 16.525 ( -2.878 -0.686 5.011) 5.819 16.835 ( 22.444 -0.795 3.282) 22.696 17.069 ( 10.132 7.075 3.933) 12.968 17.258 ( 2.432 -4.410 5.841) 7.712 17.793 ( 6.929 6.038 -1.254) 9.276 17.937 ( -8.516 -7.867 -5.328) 12.759 18.373 ( -4.886 -7.547 -7.165) 11.496 18.584 ( 9.798 -5.503 2.398) 11.490 21.037 ( -3.503 11.895 -0.008) 12.400 21.585 ( 1.972 9.874 0.370) 10.076 22.108 ( -8.351 -12.918 -4.316) 15.976 22.697 ( 7.008 -15.318 -1.586) 16.920 ======================= Grid point 168 (87/224) ======================= q-point: (-0.33 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.678 ( -2.328 10.341 -1.396) 10.691 5.297 ( 15.366 -5.903 -0.272) 16.463 5.689 ( -11.666 34.415 -2.545) 36.427 6.471 ( -0.815 12.034 3.173) 12.472 7.014 ( -0.733 0.062 -2.777) 2.873 7.023 ( 0.560 8.040 0.975) 8.119 7.366 ( -5.228 13.379 -8.395) 16.637 8.014 ( -1.669 -1.657 5.787) 6.247 8.627 ( 0.546 6.793 -3.886) 7.845 8.826 ( 0.073 -1.392 2.519) 2.879 9.278 ( -30.729 7.871 -0.469) 31.725 9.804 ( -28.793 -0.936 0.507) 28.812 9.994 ( -14.729 9.320 2.131) 17.560 10.499 ( 4.549 9.829 -5.645) 12.213 10.667 ( 4.125 2.094 -5.883) 7.484 11.211 ( 1.074 -2.589 3.258) 4.298 11.305 ( -12.831 9.500 -5.006) 16.732 11.558 ( -8.343 0.547 5.406) 9.956 11.694 ( 4.714 -4.274 0.269) 6.369 12.542 ( -12.286 -10.187 -1.069) 15.996 13.204 ( -10.706 4.261 -4.188) 12.260 13.372 ( -6.645 -1.572 -0.821) 6.878 13.852 ( 9.805 -6.216 3.366) 12.088 14.023 ( -2.277 -19.268 2.928) 19.621 14.302 ( -1.201 14.346 2.367) 14.590 14.578 ( 1.908 0.538 -1.914) 2.756 14.990 ( 8.100 -2.219 4.519) 9.537 15.173 ( -13.432 -15.153 -0.062) 20.249 15.823 ( -9.816 15.857 0.744) 18.664 16.176 ( 9.204 11.943 2.409) 15.270 16.371 ( -0.393 12.239 10.557) 16.168 16.978 ( -5.454 4.347 -3.314) 7.722 17.368 ( 13.210 -17.420 9.796) 23.956 17.530 ( 17.655 5.733 0.602) 18.572 17.784 ( 4.689 8.077 -0.549) 9.356 18.006 ( 5.656 -1.461 -15.066) 16.158 18.280 ( -1.789 -9.003 -8.358) 12.414 18.922 ( 21.058 -4.814 10.571) 24.050 20.912 ( -8.243 11.549 0.444) 14.196 21.630 ( -0.341 6.636 -0.377) 6.655 21.884 ( -9.492 -8.335 -3.518) 13.112 22.861 ( 9.189 -17.098 -1.605) 19.477 ======================= Grid point 169 (88/224) ======================= q-point: (-0.22 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.661 ( 0.609 19.837 -2.541) 20.008 5.347 ( -9.119 38.778 -3.582) 39.996 5.740 ( 16.939 -9.238 -1.852) 19.383 6.373 ( -8.290 10.942 0.209) 13.729 6.933 ( -13.000 18.464 5.574) 23.260 6.964 ( -7.033 0.400 -0.402) 7.056 7.176 ( -5.444 -4.936 -14.019) 15.829 7.909 ( -12.979 3.828 2.572) 13.774 8.432 ( -25.645 2.577 9.471) 27.460 8.518 ( -15.249 -5.060 -6.771) 17.435 9.046 ( 2.720 3.079 2.512) 4.816 9.381 ( -6.210 -3.141 0.517) 6.978 9.978 ( 8.608 17.766 2.439) 19.892 10.527 ( 0.383 10.143 -1.125) 10.212 10.736 ( 5.125 3.991 -8.338) 10.570 10.976 ( -13.132 14.785 -2.408) 19.921 11.256 ( -0.294 6.763 1.981) 7.053 11.540 ( 5.242 -4.677 2.232) 7.372 11.856 ( 7.286 -5.615 1.254) 9.284 12.353 ( -7.368 -8.750 0.398) 11.446 12.849 ( -20.259 7.664 -0.971) 21.682 13.202 ( -11.298 -5.512 0.366) 12.576 13.798 ( -28.066 12.079 2.624) 30.667 13.912 ( -11.466 -11.766 3.262) 16.749 14.083 ( 7.416 -11.940 2.148) 14.218 14.696 ( 1.458 -2.837 -1.586) 3.562 14.725 ( -21.360 -14.468 5.271) 26.332 15.138 ( -4.427 -14.341 -0.308) 15.012 15.890 ( 15.966 21.741 -0.237) 26.975 16.361 ( 7.861 5.574 3.216) 10.159 16.727 ( 22.916 13.234 1.677) 26.516 16.833 ( -3.605 8.973 -3.450) 10.267 17.586 ( 7.731 -15.051 5.139) 17.684 17.708 ( 0.434 -17.669 -9.495) 20.064 17.934 ( 7.919 20.818 -2.508) 22.414 18.122 ( 12.657 8.366 -7.312) 16.842 18.241 ( 1.022 -4.945 -5.579) 7.525 19.409 ( 19.734 -6.182 16.612) 26.526 20.750 ( -7.071 9.507 1.128) 11.902 21.427 ( -16.512 -3.837 -2.494) 17.134 21.840 ( 3.087 3.286 -0.530) 4.540 23.033 ( 8.216 -17.961 -1.415) 19.801 ======================= Grid point 170 (89/224) ======================= q-point: (-0.11 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.656 ( -0.510 27.524 -0.908) 27.543 5.141 ( -7.927 44.318 -9.602) 46.034 6.071 ( 14.069 -12.519 -3.836) 19.219 6.225 ( -4.135 8.040 0.743) 9.072 6.516 ( -20.139 22.636 -0.378) 30.300 6.787 ( -10.721 -5.853 0.882) 12.246 7.109 ( 1.223 -10.974 -14.111) 17.918 7.581 ( -20.430 -3.962 3.410) 21.089 7.898 ( -13.203 16.257 -1.686) 21.011 8.535 ( 2.475 -2.097 16.890) 17.199 9.124 ( 2.423 -2.246 1.609) 3.675 9.324 ( -0.998 -5.374 -1.329) 5.625 10.264 ( 13.326 12.250 2.568) 18.282 10.557 ( 3.800 10.512 0.279) 11.182 10.750 ( -6.298 9.486 -0.762) 11.412 10.831 ( 7.123 13.829 -8.006) 17.495 11.242 ( -1.637 12.491 3.329) 13.030 11.714 ( 7.558 0.415 1.452) 7.707 11.967 ( 2.493 -7.751 2.599) 8.547 12.252 ( -0.698 1.153 -0.106) 1.352 12.504 ( -12.462 5.636 0.181) 13.678 12.964 ( -11.092 -10.409 2.352) 15.392 13.230 ( -24.223 6.925 1.541) 25.241 13.566 ( -25.054 -2.953 3.269) 25.439 14.242 ( 5.134 -15.551 1.525) 16.447 14.427 ( -5.722 -17.245 -0.692) 18.183 14.725 ( 1.437 -5.136 0.797) 5.392 15.061 ( -2.278 -12.195 -0.351) 12.411 16.225 ( 15.000 16.180 0.094) 22.064 16.355 ( -3.753 4.815 -3.850) 7.217 16.723 ( -8.143 6.827 -3.074) 11.062 17.203 ( 17.198 2.241 -3.902) 17.777 17.621 ( 3.241 -11.920 -16.864) 20.904 17.756 ( 5.580 -7.042 2.136) 9.235 18.145 ( 11.106 8.817 -1.548) 14.265 18.195 ( 1.189 2.395 -6.914) 7.413 18.328 ( 3.490 20.825 4.476) 21.585 19.786 ( 10.138 -9.475 19.632) 24.041 20.691 ( 1.239 4.295 2.794) 5.272 21.067 ( -17.219 -2.941 -1.552) 17.537 21.902 ( 2.549 4.691 0.000) 5.338 23.164 ( 5.094 -18.263 -0.989) 18.986 ======================= Grid point 171 (90/224) ======================= q-point: ( 0.00 0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.233 ( -0.232 27.780 1.147) 27.805 5.776 ( -1.209 -21.914 -2.205) 22.057 5.867 ( 1.815 34.699 -20.756) 40.474 6.328 ( 0.727 1.620 -7.041) 7.261 6.506 ( 0.345 -3.212 0.352) 3.249 6.645 ( 0.136 -22.627 -18.488) 29.220 6.788 ( -0.406 18.341 -0.562) 18.354 7.120 ( 0.337 -13.489 -0.585) 13.506 8.218 ( -0.738 15.231 17.692) 23.357 8.490 ( 0.003 -11.825 20.929) 24.038 9.132 ( -0.038 2.541 0.467) 2.583 9.215 ( 1.705 -5.408 0.550) 5.697 10.606 ( 2.303 8.564 2.903) 9.331 10.724 ( 1.291 -2.097 3.080) 3.943 10.960 ( 0.262 19.229 -1.554) 19.294 11.207 ( 4.533 -1.998 -0.336) 4.965 11.511 ( -2.083 13.025 1.838) 13.318 11.734 ( -4.611 -7.511 -0.628) 8.835 12.025 ( 6.299 11.058 1.131) 12.776 12.340 ( 7.479 -12.421 -2.339) 14.686 12.488 ( -0.494 5.068 2.509) 5.676 12.573 ( -5.698 -6.860 4.252) 9.880 13.039 ( -2.881 6.073 0.869) 6.778 13.122 ( -6.062 -0.902 0.577) 6.156 13.918 ( -1.728 -7.884 -1.636) 8.235 14.042 ( -0.387 -17.632 0.008) 17.636 14.762 ( 0.402 4.723 0.660) 4.786 14.882 ( 0.165 -6.739 0.304) 6.747 16.475 ( -3.382 11.262 -11.415) 16.388 16.599 ( -9.445 2.493 -6.055) 11.493 16.669 ( 6.560 7.913 -0.596) 10.296 16.912 ( 6.713 -18.402 -10.871) 22.403 17.626 ( -3.059 -1.735 -6.606) 7.484 17.653 ( -5.494 -4.020 -4.016) 7.903 18.411 ( 5.557 7.454 -0.919) 9.343 18.438 ( 1.029 4.572 0.085) 4.687 18.998 ( 0.501 30.405 9.754) 31.935 19.579 ( 0.169 -25.056 13.349) 28.390 20.728 ( -1.596 0.622 0.126) 1.718 20.793 ( 2.525 -5.151 1.194) 5.860 22.251 ( 0.139 23.517 1.591) 23.571 22.768 ( 0.158 -24.972 1.108) 24.997 ======================= Grid point 172 (91/224) ======================= q-point: ( 0.11 0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.177 ( -6.047 25.252 -1.139) 25.991 5.657 ( -9.896 -18.328 -1.980) 20.923 5.891 ( 7.658 31.089 -18.421) 36.939 6.344 ( 5.923 0.441 -12.007) 13.396 6.577 ( 3.053 -8.192 -6.145) 10.686 6.626 ( 8.036 -16.077 -6.703) 19.183 7.037 ( 23.671 21.272 0.627) 31.831 7.405 ( 26.459 -14.550 1.168) 30.218 8.284 ( 1.167 14.907 15.823) 21.771 8.558 ( -0.799 -12.181 17.663) 21.471 9.137 ( 0.118 5.600 0.911) 5.675 9.274 ( 3.134 -7.399 1.357) 8.149 10.586 ( -6.945 10.976 4.922) 13.890 10.724 ( -2.369 -0.886 4.532) 5.190 11.019 ( 3.991 14.888 -1.637) 15.501 11.223 ( -2.507 -2.493 0.980) 3.669 11.382 ( -10.015 13.438 -1.849) 16.861 11.633 ( -2.373 -4.647 0.052) 5.218 11.983 ( -8.862 4.117 2.866) 10.183 12.203 ( -6.424 -9.448 -0.861) 11.458 12.660 ( 13.753 3.164 3.507) 14.542 12.732 ( 17.526 -5.730 4.151) 18.900 13.348 ( 28.564 9.270 -0.871) 30.043 13.454 ( 27.615 0.991 -1.155) 27.656 13.821 ( -6.101 -7.256 -2.339) 9.764 13.995 ( -1.618 -19.528 -0.053) 19.595 14.752 ( -1.828 3.329 -0.246) 3.806 14.862 ( -2.103 -7.547 -0.440) 7.847 16.331 ( -4.776 8.255 -8.030) 12.467 16.450 ( -3.756 -1.708 -5.069) 6.536 16.810 ( 8.288 13.019 -5.942) 16.537 17.088 ( 10.665 -14.347 -12.531) 21.831 17.325 ( -23.442 2.783 -4.380) 24.009 17.394 ( -15.766 -5.715 -4.983) 17.495 18.365 ( -5.957 4.824 -0.322) 7.672 18.399 ( -5.889 2.556 -0.054) 6.420 18.986 ( -6.739 29.002 10.686) 31.635 19.562 ( -8.212 -25.474 14.478) 30.430 20.780 ( 7.297 8.329 0.306) 11.078 20.987 ( 14.100 -10.911 0.752) 17.844 22.223 ( -3.484 23.058 1.543) 23.371 22.728 ( -4.418 -24.335 0.965) 24.751 ======================= Grid point 173 (92/224) ======================= q-point: ( 0.22 0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.011 ( -8.560 19.573 -2.288) 21.485 5.391 ( -14.751 -17.207 -0.499) 22.670 5.997 ( 9.455 28.290 -15.351) 33.546 6.436 ( 8.574 -8.017 -20.393) 23.530 6.627 ( 4.975 1.731 -1.628) 5.513 6.823 ( 10.150 -11.489 -0.995) 15.362 7.607 ( 25.057 25.851 8.129) 36.908 8.028 ( 24.826 -14.051 10.617) 30.438 8.481 ( 18.113 7.058 4.753) 20.012 8.660 ( 10.640 -9.562 5.552) 15.345 9.136 ( 0.135 8.876 1.443) 8.994 9.313 ( -0.373 -7.956 1.543) 8.113 10.400 ( -9.772 17.346 4.002) 20.307 10.685 ( -3.562 -7.704 4.236) 9.486 10.982 ( -6.175 7.021 -1.121) 9.417 11.161 ( -2.504 -8.055 -2.594) 8.825 11.280 ( -0.642 18.212 -1.140) 18.259 11.608 ( -2.275 -8.455 0.303) 8.761 11.859 ( -0.742 13.931 2.001) 14.094 12.200 ( 5.661 -14.297 1.495) 15.449 13.068 ( 22.652 6.913 3.706) 23.972 13.172 ( 21.302 -3.571 4.828) 22.133 13.616 ( -4.543 -2.898 -1.589) 5.618 13.725 ( -4.463 -10.297 -0.823) 11.253 14.022 ( 31.840 11.819 -0.059) 33.963 14.290 ( 29.099 -13.997 -0.244) 32.291 14.706 ( -1.184 3.100 -1.777) 3.764 14.834 ( 1.368 -10.069 -1.616) 10.289 16.192 ( -10.262 11.101 -1.422) 15.184 16.318 ( -11.540 -0.714 -1.180) 11.622 16.719 ( -20.040 10.559 -10.650) 25.031 16.921 ( -12.820 -9.680 -12.303) 20.234 17.010 ( 2.535 11.007 -2.944) 11.673 17.301 ( 3.362 -16.043 -3.732) 16.811 18.249 ( -4.487 3.047 -1.748) 5.699 18.265 ( -5.174 0.976 -1.188) 5.398 18.797 ( -16.257 26.172 10.762) 32.635 19.341 ( -19.781 -24.501 14.366) 34.611 20.986 ( 11.993 14.944 -0.107) 19.162 21.302 ( 16.052 -14.888 0.067) 21.894 22.132 ( -5.854 21.563 0.867) 22.361 22.608 ( -7.478 -23.026 0.161) 24.210 ======================= Grid point 174 (93/224) ======================= q-point: ( 0.33 0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.859 ( -5.205 12.004 -1.398) 13.158 5.108 ( -12.768 -12.207 0.032) 17.664 6.145 ( 10.565 22.436 -10.954) 27.111 6.523 ( 8.433 -13.664 -18.757) 24.691 6.735 ( 5.271 14.143 0.017) 15.093 6.992 ( 7.096 -9.409 -1.124) 11.838 7.896 ( 1.424 23.084 13.132) 26.596 8.246 ( -4.126 -10.930 13.593) 17.924 8.858 ( 5.008 4.812 1.424) 7.090 8.898 ( 1.164 2.776 -0.932) 3.151 9.386 ( 21.761 2.640 -1.360) 21.962 9.512 ( 36.915 -8.799 -2.754) 38.049 10.336 ( 2.409 15.517 2.061) 15.838 10.643 ( -0.961 -12.864 1.816) 13.027 10.855 ( -6.139 11.058 -0.156) 12.649 11.105 ( -3.513 -12.142 -0.756) 12.663 11.209 ( -5.201 12.752 -3.761) 14.276 11.489 ( -8.267 -12.892 -0.948) 15.344 12.072 ( 20.112 21.409 3.382) 29.568 12.427 ( 15.786 -13.287 2.598) 20.796 13.398 ( -0.664 6.201 -0.846) 6.293 13.444 ( 10.098 4.256 2.427) 11.224 13.604 ( 3.889 -10.532 1.426) 11.317 13.619 ( -4.960 -11.602 -0.567) 12.631 14.521 ( 0.299 13.398 -0.301) 13.404 14.703 ( 11.655 6.854 0.566) 13.533 14.741 ( 0.289 -8.173 -0.647) 8.203 14.920 ( 16.227 -14.153 1.575) 21.589 16.006 ( 3.576 10.857 -1.546) 11.535 16.117 ( 3.105 0.618 -1.240) 3.400 16.369 ( -14.550 12.983 -3.455) 19.804 16.660 ( -12.624 -14.995 -5.906) 20.472 17.099 ( 5.006 7.604 -3.018) 9.591 17.291 ( -1.591 -10.234 -4.148) 11.157 18.155 ( -6.159 8.841 -0.568) 10.790 18.230 ( 1.093 -2.110 -1.931) 3.062 18.467 ( -17.426 16.946 6.897) 25.267 18.908 ( -27.555 -21.042 11.013) 36.378 21.216 ( 10.376 18.404 -0.460) 21.133 21.595 ( 12.765 -17.309 -0.496) 21.513 22.011 ( -5.979 19.367 0.052) 20.269 22.448 ( -7.909 -21.266 -0.811) 22.703 ======================= Grid point 175 (94/224) ======================= q-point: ( 0.44 0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.809 ( 0.790 3.748 -0.490) 3.862 4.904 ( -7.240 -5.454 0.138) 9.066 6.319 ( 9.607 17.456 -5.309) 20.620 6.618 ( 6.619 -11.269 -11.622) 17.490 6.821 ( 4.149 18.218 -3.567) 19.022 7.091 ( 3.129 -7.208 -1.958) 8.098 7.887 ( -5.002 17.036 8.340) 19.616 8.126 ( -9.903 -6.950 7.588) 14.281 8.780 ( -5.066 6.633 1.421) 8.467 8.852 ( -4.175 -0.138 2.862) 5.064 9.896 ( 21.677 10.573 -4.007) 24.448 10.164 ( 19.883 -13.240 -1.962) 23.968 10.490 ( 11.118 10.457 2.132) 15.411 10.557 ( -11.773 4.507 0.155) 12.607 10.824 ( 3.631 2.944 -1.745) 4.989 10.986 ( -5.729 -15.169 0.562) 16.224 11.106 ( -1.380 5.121 -5.048) 7.322 11.323 ( -7.012 -12.150 -0.336) 14.032 12.599 ( 26.214 12.554 2.402) 29.164 12.782 ( 12.435 -6.429 1.232) 14.052 13.320 ( -4.576 5.719 -2.208) 7.650 13.463 ( -9.085 -5.571 -0.854) 10.691 13.566 ( 1.276 -3.031 0.916) 3.414 13.611 ( -1.867 -6.175 1.095) 6.543 14.062 ( -23.002 17.702 -0.649) 29.032 14.384 ( -16.502 -12.849 -0.453) 20.919 15.201 ( 22.184 10.313 1.848) 24.534 15.421 ( 20.348 -9.989 2.361) 22.790 16.029 ( -13.417 11.174 -0.905) 17.484 16.285 ( -15.168 -12.510 -0.238) 19.662 16.378 ( 25.106 9.852 1.273) 27.000 16.514 ( 22.160 -3.073 1.578) 22.428 17.145 ( -1.169 4.716 0.311) 4.869 17.230 ( -4.445 -3.478 1.019) 5.735 17.918 ( -13.202 15.357 1.165) 20.285 18.146 ( -13.753 -5.152 4.705) 15.422 18.349 ( 2.557 -2.022 -2.776) 4.282 18.440 ( -15.363 -10.652 -0.783) 18.711 21.369 ( 4.459 19.868 -0.756) 20.377 21.776 ( 4.534 -15.699 -1.127) 16.379 21.918 ( -2.384 14.550 -0.582) 14.756 22.315 ( -3.844 -19.694 -1.228) 20.103 ======================= Grid point 176 (95/224) ======================= q-point: (-0.44 0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.825 ( -0.164 2.531 0.126) 2.539 4.894 ( 7.447 -4.241 -0.183) 8.572 6.446 ( 2.870 18.568 -1.666) 18.862 6.664 ( 1.970 2.220 -7.092) 7.688 6.886 ( 4.031 5.218 -4.606) 8.043 7.083 ( -2.927 -6.815 -5.260) 9.093 7.808 ( -5.022 13.454 5.910) 15.529 7.985 ( -5.943 -4.816 7.443) 10.673 8.733 ( 0.129 5.784 -0.936) 5.861 8.807 ( -1.354 -1.591 1.025) 2.327 10.034 ( -16.840 11.412 1.069) 20.371 10.189 ( -8.928 2.161 -5.522) 10.718 10.368 ( -8.524 -1.926 5.121) 10.129 10.507 ( -6.472 -7.962 -2.203) 10.494 10.761 ( -1.007 11.721 -3.250) 12.205 11.083 ( 1.736 -17.104 -2.173) 17.328 11.145 ( 10.303 5.759 -1.038) 11.849 11.319 ( 8.905 -9.019 -0.428) 12.682 12.497 ( -31.564 12.938 -0.735) 34.120 12.695 ( -19.038 -7.364 -1.912) 20.502 13.321 ( 2.560 4.121 -2.558) 5.485 13.416 ( 4.447 -3.670 -2.622) 6.334 13.612 ( 1.526 -3.344 2.387) 4.383 13.631 ( 3.216 -7.138 2.755) 8.300 14.110 ( 27.163 18.785 0.861) 33.037 14.439 ( 20.938 -12.628 1.404) 24.491 15.153 ( -24.085 10.423 0.206) 26.245 15.378 ( -23.714 -10.968 0.732) 26.138 16.068 ( 15.590 12.012 0.354) 19.684 16.325 ( 12.711 -11.604 0.787) 17.229 16.594 ( -11.731 14.460 11.322) 21.792 16.805 ( -1.505 -4.946 12.447) 13.478 17.161 ( 3.084 2.713 0.924) 4.210 17.214 ( 10.609 -1.651 0.919) 10.776 17.856 ( 7.321 1.306 -8.473) 11.274 17.881 ( -3.152 0.399 -1.226) 3.405 18.301 ( -1.748 1.632 -4.687) 5.262 18.433 ( 6.888 -8.862 0.094) 11.224 21.365 ( -4.479 19.062 -0.881) 19.601 21.752 ( -6.050 -14.968 -1.958) 16.263 21.915 ( 2.363 15.230 -0.668) 15.426 22.322 ( 4.642 -20.558 -0.994) 21.099 ======================= Grid point 177 (96/224) ======================= q-point: (-0.33 0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.887 ( 6.161 10.395 -0.213) 12.086 5.104 ( 13.137 -10.634 -0.023) 16.901 6.379 ( -6.373 29.658 -7.787) 31.319 6.679 ( 0.526 6.041 -1.662) 6.288 6.917 ( -1.554 -6.683 -1.039) 6.940 6.936 ( -6.452 -11.910 -12.017) 18.108 7.733 ( -6.325 16.120 8.294) 19.200 7.951 ( -2.670 -5.719 12.331) 13.852 8.708 ( -5.639 2.076 -4.751) 7.661 8.759 ( -5.981 -3.495 -3.625) 7.818 9.462 ( -29.387 10.473 0.798) 31.207 9.677 ( -33.802 -9.548 1.708) 35.166 10.255 ( -1.055 14.552 2.150) 14.747 10.543 ( 3.759 -12.014 -0.440) 12.596 10.763 ( 3.158 15.045 -4.490) 16.015 11.082 ( 2.169 -14.072 -4.280) 14.867 11.352 ( 7.934 7.084 0.214) 10.639 11.531 ( 10.232 -8.532 -0.776) 13.346 11.922 ( -22.255 21.131 0.095) 30.689 12.293 ( -16.046 -14.681 -1.500) 21.800 13.308 ( -3.959 4.931 -3.571) 7.262 13.367 ( -9.181 0.993 -1.025) 9.291 13.671 ( 3.552 -8.667 1.999) 9.577 13.693 ( 1.103 -9.225 3.766) 10.025 14.616 ( -22.517 11.590 1.594) 25.375 14.684 ( 13.587 10.279 1.313) 17.088 14.848 ( -23.150 -12.910 0.523) 26.512 14.901 ( 13.096 -8.549 3.157) 15.955 16.136 ( -5.766 13.403 2.684) 14.836 16.312 ( -4.613 -1.990 4.823) 6.964 16.617 ( 13.446 14.813 7.691) 21.433 16.945 ( 12.277 -15.067 7.034) 20.669 17.172 ( -1.998 6.475 -1.163) 6.876 17.384 ( 2.895 -11.847 -2.472) 12.444 18.007 ( 10.165 1.942 -10.922) 15.046 18.011 ( 9.102 1.263 -9.942) 13.539 18.322 ( 7.659 16.790 3.031) 18.702 18.706 ( 18.979 -16.385 6.445) 25.888 21.208 ( -10.146 16.651 -0.680) 19.511 21.547 ( -12.753 -14.999 -2.138) 19.804 21.999 ( 5.522 19.350 -0.350) 20.126 22.448 ( 7.500 -22.495 -0.773) 23.725 ======================= Grid point 178 (97/224) ======================= q-point: (-0.22 0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.045 ( 8.861 18.102 -0.571) 20.163 5.397 ( 15.462 -15.878 -0.118) 22.163 6.194 ( -6.981 34.942 -13.501) 38.105 6.593 ( -9.855 10.462 -1.064) 14.412 6.749 ( -4.424 -14.478 -11.447) 18.980 6.854 ( -4.871 -17.508 -4.875) 18.816 7.520 ( -21.496 22.166 7.007) 31.662 7.858 ( -16.647 -9.828 10.547) 22.021 8.388 ( -22.469 -0.941 -1.315) 22.527 8.439 ( -12.327 -4.354 4.682) 13.886 9.149 ( -4.115 6.422 1.153) 7.714 9.282 ( -6.749 -6.109 0.146) 9.104 10.324 ( 7.098 15.969 2.273) 17.623 10.596 ( 1.900 -8.682 1.896) 9.087 10.863 ( 8.168 13.488 -5.676) 16.759 11.116 ( 1.363 -7.256 -4.093) 8.442 11.461 ( 3.739 11.814 -1.919) 12.539 11.655 ( -3.907 19.261 2.609) 19.825 11.692 ( 5.879 -10.140 -1.139) 11.776 12.077 ( -5.196 -18.219 -0.408) 18.950 13.020 ( -20.741 7.346 1.059) 22.028 13.111 ( -17.150 -2.871 1.246) 17.434 13.705 ( 0.519 -4.149 1.766) 4.539 13.796 ( 6.657 -11.033 1.566) 12.981 14.100 ( -29.913 12.631 2.607) 32.575 14.382 ( -25.262 -15.495 2.978) 29.785 14.758 ( -2.702 5.657 0.869) 6.329 14.908 ( -5.867 -8.917 1.184) 10.740 16.267 ( 12.948 13.833 1.266) 18.990 16.418 ( 8.256 -1.102 1.783) 8.518 16.987 ( 17.273 12.429 2.928) 21.481 17.043 ( -3.920 11.530 -5.200) 13.242 17.265 ( 14.489 -14.727 4.278) 21.098 17.337 ( -3.405 -16.827 -8.701) 19.247 18.109 ( 8.208 1.658 -8.600) 12.003 18.129 ( 7.085 -1.315 -8.531) 11.167 18.624 ( 15.369 27.658 7.506) 32.519 19.134 ( 17.938 -20.497 10.194) 29.083 20.981 ( -11.641 12.848 -0.226) 17.338 21.250 ( -15.639 -12.382 -1.711) 20.020 22.112 ( 5.485 21.283 0.189) 21.979 22.596 ( 7.088 -23.948 -0.214) 24.976 ======================= Grid point 179 (98/224) ======================= q-point: (-0.11 0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.191 ( 4.838 25.129 -0.093) 25.590 5.676 ( 11.092 -21.345 -0.454) 24.059 6.003 ( -5.574 36.563 -18.443) 41.328 6.387 ( -6.280 5.412 -4.946) 9.653 6.599 ( -8.414 -5.937 -0.319) 10.303 6.732 ( -1.900 -23.663 -16.524) 28.924 7.034 ( -22.078 19.979 0.381) 29.778 7.383 ( -24.126 -13.801 0.388) 27.797 8.184 ( -3.379 11.566 12.590) 17.427 8.402 ( -0.120 -9.748 18.560) 20.965 9.131 ( 0.025 2.738 0.570) 2.797 9.214 ( -1.538 -5.051 -0.544) 5.308 10.497 ( 7.430 10.806 1.724) 13.226 10.660 ( 3.495 -3.411 2.228) 5.368 10.991 ( 2.337 13.256 -2.129) 13.628 11.095 ( 2.867 6.322 -4.107) 8.066 11.508 ( 1.439 12.850 -0.107) 12.931 11.746 ( 4.618 -3.910 0.774) 6.100 11.796 ( 9.904 1.833 0.314) 10.077 12.098 ( 8.363 -15.949 -1.258) 18.053 12.651 ( -14.783 6.946 2.486) 16.522 12.769 ( -15.205 -6.152 3.363) 16.744 13.448 ( -31.658 11.643 2.703) 33.839 13.552 ( -24.899 1.462 2.455) 25.062 13.907 ( 2.489 -11.492 0.472) 11.768 14.019 ( -2.176 -18.822 0.746) 18.962 14.747 ( 0.680 4.448 -0.030) 4.499 14.867 ( 0.660 -7.324 -0.120) 7.355 16.487 ( 6.004 9.072 -0.958) 10.921 16.520 ( 6.022 7.485 -2.222) 9.860 16.840 ( -10.972 4.753 -5.654) 13.226 17.022 ( -9.074 -13.971 -11.740) 20.380 17.511 ( 16.308 0.192 -3.762) 16.738 17.582 ( 12.234 -7.070 0.222) 14.131 18.244 ( 9.406 5.595 -5.189) 12.112 18.308 ( 10.811 1.170 -2.805) 11.230 18.891 ( 7.309 29.797 8.679) 31.884 19.448 ( 8.420 -23.163 12.287) 27.539 20.786 ( -6.694 6.020 0.553) 9.020 20.942 ( -13.449 -8.307 -0.874) 15.832 22.207 ( 3.521 22.806 0.983) 23.097 22.716 ( 4.486 -24.825 0.576) 25.234 ======================= Grid point 234 (99/224) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -4.388 0.000 33.784) 34.068 1.837 ( -0.131 0.000 38.331) 38.331 3.702 ( -0.992 0.000 84.248) 84.254 4.015 ( 1.523 0.000 -22.263) 22.315 5.036 ( 1.123 0.000 -22.458) 22.486 6.310 ( -0.094 0.000 5.640) 5.641 7.284 ( -8.343 0.000 0.477) 8.357 7.555 ( 6.432 0.000 4.179) 7.670 7.901 ( -5.007 0.000 1.033) 5.113 8.812 ( 2.085 0.000 -2.663) 3.382 8.906 ( 11.273 0.000 -53.921) 55.087 9.228 ( 9.506 0.000 1.386) 9.607 9.686 ( -11.682 0.000 -3.006) 12.062 9.935 ( -25.619 0.000 3.092) 25.805 9.982 ( 23.409 0.000 -6.108) 24.192 10.138 ( 25.337 0.000 -0.786) 25.349 10.161 ( -28.042 0.000 -4.153) 28.348 11.335 ( -1.408 0.000 2.505) 2.873 11.642 ( 0.128 0.000 3.687) 3.690 12.075 ( 0.274 0.000 -4.665) 4.673 12.955 ( 1.454 0.000 2.859) 3.207 13.205 ( -0.028 0.000 -1.581) 1.581 13.208 ( -4.163 0.000 11.115) 11.869 13.289 ( -3.853 0.000 12.506) 13.086 13.867 ( -0.466 0.000 2.152) 2.202 14.220 ( -0.743 0.000 -0.033) 0.744 14.237 ( 4.410 0.000 1.211) 4.573 15.498 ( 0.689 0.000 -0.620) 0.927 15.622 ( 0.007 0.000 0.047) 0.048 15.859 ( 2.024 0.000 -0.549) 2.098 16.808 ( 16.942 0.000 3.917) 17.389 17.261 ( -21.511 0.000 -1.504) 21.564 18.277 ( -3.381 0.000 -9.206) 9.807 18.559 ( 3.433 0.000 -2.531) 4.265 18.799 ( -2.522 0.000 1.009) 2.716 18.845 ( 0.036 0.000 -0.005) 0.037 18.953 ( -0.052 0.000 0.006) 0.053 19.185 ( -31.584 0.000 -0.858) 31.595 19.645 ( 39.632 0.000 -2.458) 39.708 21.202 ( 0.843 0.000 8.708) 8.748 22.171 ( -0.008 0.000 -0.039) 0.039 24.430 ( -0.337 0.000 -1.372) 1.413 ======================= Grid point 235 (100/224) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 28.522 0.000 30.959) 42.094 2.548 ( 69.868 0.000 24.440) 74.019 4.049 ( 12.157 0.000 58.638) 59.885 4.257 ( 23.584 0.000 -5.540) 24.226 4.998 ( 4.029 0.000 -21.952) 22.319 6.296 ( -3.357 0.000 4.905) 5.944 7.033 ( -17.347 0.000 0.532) 17.355 7.670 ( -15.720 0.000 -3.250) 16.052 7.959 ( 27.182 0.000 3.137) 27.363 8.713 ( -0.090 0.000 -49.813) 49.813 8.763 ( -7.779 0.000 -2.099) 8.057 9.220 ( -17.173 0.000 -5.193) 17.941 9.549 ( -6.323 0.000 6.011) 8.724 9.583 ( 4.232 0.000 0.641) 4.280 9.639 ( -19.920 0.000 -3.460) 20.218 10.500 ( 23.633 0.000 2.511) 23.766 10.653 ( 24.898 0.000 -1.216) 24.928 11.434 ( 10.539 0.000 2.940) 10.941 11.629 ( -2.771 0.000 3.515) 4.476 12.204 ( 13.769 0.000 -4.504) 14.487 12.960 ( -11.799 0.000 20.055) 23.269 13.162 ( -3.622 0.000 -1.507) 3.923 13.186 ( 7.498 0.000 9.122) 11.808 13.223 ( 4.072 0.000 0.323) 4.084 13.689 ( -10.634 0.000 -0.524) 10.647 14.327 ( 8.374 0.000 1.456) 8.500 15.082 ( 52.233 0.000 -10.798) 53.338 15.502 ( -0.756 0.000 -1.426) 1.613 15.649 ( 2.620 0.000 0.041) 2.620 15.841 ( -2.902 0.000 -0.740) 2.995 16.842 ( -15.979 0.000 -0.017) 15.979 17.135 ( 10.250 0.000 4.599) 11.235 18.144 ( -8.574 0.000 -6.276) 10.625 18.303 ( -29.671 0.000 0.301) 29.672 18.344 ( -26.625 0.000 0.009) 26.625 18.720 ( -6.532 0.000 0.445) 6.547 18.794 ( 1.190 0.000 -8.557) 8.640 19.466 ( 27.910 0.000 -0.000) 27.910 20.443 ( 38.685 0.000 -4.930) 38.998 21.256 ( 1.214 0.000 6.199) 6.316 22.127 ( -4.379 0.000 -0.031) 4.380 23.999 ( -38.380 0.000 2.118) 38.438 ======================= Grid point 236 (101/224) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.098 ( 38.720 0.000 22.355) 44.710 3.771 ( 35.048 0.000 31.336) 47.013 4.700 ( 17.835 0.000 33.236) 37.719 5.013 ( 5.584 0.000 -20.113) 20.873 5.035 ( 71.360 0.000 -2.082) 71.391 6.221 ( -5.637 0.000 3.879) 6.843 6.603 ( -24.820 0.000 2.920) 24.991 7.275 ( -19.270 0.000 -9.764) 21.603 8.195 ( 0.165 0.000 -26.313) 26.313 8.383 ( -27.941 0.000 0.099) 27.941 8.950 ( -6.064 0.000 -4.489) 7.545 9.028 ( 30.152 0.000 -6.982) 30.950 9.375 ( -7.063 0.000 -1.719) 7.269 9.403 ( 10.863 0.000 -8.631) 13.874 9.885 ( 16.413 0.000 5.801) 17.408 10.784 ( 1.509 0.000 4.721) 4.957 11.089 ( 17.681 0.000 -1.056) 17.713 11.579 ( -2.134 0.000 2.750) 3.481 11.790 ( 22.179 0.000 3.810) 22.504 12.539 ( 19.161 0.000 -3.974) 19.569 12.827 ( -7.874 0.000 16.044) 17.872 13.051 ( -6.704 0.000 -1.357) 6.840 13.126 ( -16.956 0.000 3.266) 17.268 13.479 ( 13.963 0.000 3.149) 14.314 13.657 ( 10.427 0.000 0.815) 10.459 14.542 ( 11.864 0.000 1.728) 11.989 15.362 ( -12.246 0.000 -1.482) 12.335 15.724 ( 4.827 0.000 0.029) 4.827 15.741 ( 7.314 0.000 -0.888) 7.368 15.963 ( 24.435 0.000 -8.302) 25.807 16.618 ( -10.200 0.000 1.631) 10.330 17.133 ( -14.500 0.000 2.576) 14.727 17.735 ( -10.769 0.000 3.894) 11.452 17.841 ( -23.339 0.000 0.021) 23.339 18.065 ( -3.934 0.000 -6.285) 7.415 18.615 ( -5.104 0.000 3.769) 6.345 18.777 ( -0.025 0.000 -10.744) 10.744 20.011 ( 26.324 0.000 0.001) 26.324 21.067 ( 17.947 0.000 -1.276) 17.992 21.335 ( 11.450 0.000 -0.008) 11.450 21.997 ( -8.518 0.000 -0.018) 8.518 23.091 ( -48.725 0.000 -2.622) 48.796 ======================= Grid point 237 (102/224) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.944 ( 36.399 0.000 15.411) 39.527 4.425 ( 22.200 0.000 23.957) 32.661 5.016 ( -1.839 0.000 28.422) 28.482 5.029 ( 1.936 0.000 -15.210) 15.333 6.129 ( -3.538 0.000 1.953) 4.041 6.190 ( -8.592 0.000 8.782) 12.286 6.533 ( 54.005 0.000 -13.172) 55.588 6.917 ( -1.559 0.000 -4.526) 4.787 7.797 ( -28.499 0.000 0.808) 28.510 8.144 ( 11.271 0.000 -22.781) 25.417 8.857 ( -2.559 0.000 -4.210) 4.927 9.060 ( -2.897 0.000 -15.615) 15.882 9.250 ( -4.539 0.000 -2.976) 5.428 10.246 ( 16.963 0.000 5.758) 17.914 10.338 ( 54.129 0.000 0.247) 54.130 10.604 ( -17.485 0.000 7.154) 18.892 11.235 ( -3.697 0.000 2.376) 4.394 11.672 ( 11.122 0.000 -1.121) 11.178 12.189 ( 9.698 0.000 7.296) 12.136 12.579 ( -11.557 0.000 -1.296) 11.629 12.800 ( -6.397 0.000 8.395) 10.554 12.894 ( -8.026 0.000 -1.093) 8.101 13.045 ( 17.009 0.000 0.017) 17.009 13.689 ( 4.813 0.000 1.475) 5.034 13.891 ( 9.173 0.000 3.085) 9.678 14.699 ( -2.058 0.000 -0.568) 2.135 15.170 ( -1.156 0.000 -0.268) 1.186 15.827 ( 2.767 0.000 0.743) 2.865 15.833 ( 5.645 0.000 0.017) 5.645 16.158 ( -30.141 0.000 7.702) 31.109 16.263 ( 6.411 0.000 -4.516) 7.842 17.078 ( 10.308 0.000 -5.988) 11.921 17.430 ( -17.331 0.000 0.031) 17.331 17.681 ( -3.292 0.000 4.253) 5.378 17.988 ( -1.343 0.000 -4.706) 4.894 18.590 ( 1.476 0.000 8.053) 8.187 18.734 ( 0.622 0.000 -4.304) 4.349 20.506 ( 22.849 0.000 0.001) 22.849 21.029 ( -18.460 0.000 19.493) 26.847 21.777 ( 26.075 0.000 -12.031) 28.717 21.792 ( -11.773 0.000 -0.002) 11.773 22.173 ( -34.459 0.000 -21.065) 40.388 ======================= Grid point 238 (103/224) ======================= q-point: ( 0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.510 ( -26.825 0.000 14.844) 30.658 4.553 ( 12.475 0.000 4.608) 13.298 4.953 ( -1.008 0.000 -1.938) 2.185 5.174 ( 14.504 0.000 33.299) 36.321 6.140 ( 4.213 0.000 -1.287) 4.405 6.197 ( -1.515 0.000 2.079) 2.573 6.604 ( 5.131 0.000 0.464) 5.152 7.344 ( -14.017 0.000 0.259) 14.019 7.428 ( 16.156 0.000 -27.947) 32.281 8.779 ( 35.771 0.000 -8.228) 36.705 8.802 ( -1.368 0.000 -3.903) 4.136 8.963 ( 17.110 0.000 -16.831) 24.001 9.168 ( -2.397 0.000 -3.230) 4.023 9.862 ( -47.781 0.000 10.039) 48.825 10.594 ( 15.176 0.000 5.203) 16.043 11.084 ( -10.647 0.000 3.574) 11.231 11.484 ( 42.359 0.000 3.648) 42.516 11.861 ( 5.487 0.000 -2.555) 6.053 12.158 ( -8.442 0.000 5.706) 10.190 12.500 ( -2.870 0.000 7.610) 8.133 12.628 ( -12.396 0.000 -1.320) 12.466 12.759 ( -3.709 0.000 -0.778) 3.790 13.312 ( 7.210 0.000 3.128) 7.859 13.812 ( 11.009 0.000 -1.492) 11.109 14.008 ( 1.372 0.000 1.883) 2.330 14.493 ( -14.405 0.000 -1.973) 14.539 15.148 ( -4.309 0.000 1.109) 4.450 15.792 ( -8.183 0.000 12.145) 14.644 15.836 ( -2.519 0.000 -2.637) 3.647 15.926 ( 2.911 0.000 0.009) 2.911 16.355 ( 6.021 0.000 -6.209) 8.649 17.179 ( -6.921 0.000 0.038) 6.922 17.245 ( 4.262 0.000 -0.651) 4.312 17.574 ( -5.458 0.000 -2.182) 5.878 17.989 ( 3.418 0.000 -4.675) 5.791 18.664 ( 2.494 0.000 0.226) 2.505 18.923 ( 18.130 0.000 14.580) 23.265 20.555 ( -35.254 0.000 27.939) 44.982 20.888 ( 13.326 0.000 -0.005) 13.326 21.558 ( -9.552 0.000 0.011) 9.552 21.615 ( -11.791 0.000 -30.857) 33.033 22.201 ( 21.040 0.000 -16.822) 26.938 ======================= Grid point 239 (104/224) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.920 ( -36.508 0.000 31.329) 48.108 4.269 ( -31.482 0.000 4.778) 31.842 5.158 ( 12.297 0.000 -1.343) 12.370 5.397 ( -9.493 0.000 12.743) 15.891 6.180 ( -1.532 0.000 -1.613) 2.225 6.265 ( 17.943 0.000 -1.688) 18.022 6.903 ( 13.111 0.000 18.749) 22.878 7.367 ( 16.708 0.000 0.074) 16.708 7.510 ( 9.681 0.000 -34.128) 35.475 8.263 ( -55.513 0.000 -11.362) 56.663 8.771 ( -0.029 0.000 -3.732) 3.732 9.115 ( -15.121 0.000 -8.724) 17.457 9.130 ( -0.210 0.000 -2.521) 2.529 10.059 ( 51.026 0.000 2.789) 51.102 10.779 ( -6.965 0.000 2.877) 7.536 10.971 ( 6.312 0.000 5.099) 8.114 11.492 ( -48.358 0.000 2.439) 48.420 11.810 ( -9.263 0.000 -2.283) 9.540 11.946 ( 0.978 0.000 11.156) 11.199 12.488 ( 3.651 0.000 4.264) 5.613 12.723 ( 4.608 0.000 0.361) 4.622 12.780 ( 5.762 0.000 -0.955) 5.840 13.519 ( 12.469 0.000 0.480) 12.478 13.800 ( -12.457 0.000 -1.057) 12.502 13.945 ( -8.519 0.000 1.897) 8.728 14.410 ( 11.229 0.000 -0.574) 11.243 15.135 ( 0.267 0.000 5.400) 5.406 15.669 ( -9.194 0.000 -4.499) 10.236 15.795 ( 3.326 0.000 8.153) 8.806 15.926 ( -2.956 0.000 0.013) 2.956 16.471 ( 6.022 0.000 -1.904) 6.316 17.145 ( -11.199 0.000 -2.407) 11.455 17.179 ( 6.922 0.000 0.036) 6.922 17.603 ( 8.352 0.000 -0.152) 8.354 18.072 ( 6.296 0.000 -5.766) 8.537 18.717 ( 3.633 0.000 -4.846) 6.056 19.476 ( 25.775 0.000 17.088) 30.925 20.025 ( -22.967 0.000 22.829) 32.382 20.889 ( -13.309 0.000 -0.006) 13.309 21.317 ( -9.744 0.000 -20.522) 22.718 21.558 ( 9.584 0.000 0.007) 9.584 22.492 ( 16.305 0.000 -21.850) 27.263 ======================= Grid point 240 (105/224) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.397 ( -30.502 0.000 47.863) 56.756 3.541 ( -43.026 0.000 13.422) 45.071 5.010 ( -29.305 0.000 4.532) 29.654 5.296 ( 3.906 0.000 -11.719) 12.353 6.132 ( -1.116 0.000 2.008) 2.297 6.584 ( -42.698 0.000 -2.051) 42.748 6.903 ( 6.548 0.000 -3.094) 7.242 7.271 ( -4.353 0.000 9.932) 10.844 7.685 ( 14.458 0.000 -18.224) 23.263 7.874 ( 29.870 0.000 0.267) 29.871 8.779 ( 2.621 0.000 -3.890) 4.691 8.945 ( 0.784 0.000 -21.296) 21.310 9.143 ( 2.303 0.000 -0.852) 2.456 10.267 ( -50.223 0.000 -0.347) 50.224 10.540 ( -14.317 0.000 2.248) 14.493 10.930 ( 14.681 0.000 1.277) 14.736 11.155 ( 4.444 0.000 3.355) 5.568 11.547 ( -13.074 0.000 -0.448) 13.082 12.055 ( 4.090 0.000 16.038) 16.552 12.459 ( -21.381 0.000 2.900) 21.576 12.725 ( 14.400 0.000 1.725) 14.503 12.929 ( 8.419 0.000 -1.336) 8.525 13.200 ( -25.814 0.000 -3.902) 26.108 13.736 ( -12.400 0.000 3.119) 12.786 13.985 ( 6.842 0.000 2.937) 7.446 14.594 ( 2.710 0.000 0.988) 2.885 15.074 ( -3.889 0.000 -0.099) 3.891 15.595 ( 2.881 0.000 2.019) 3.518 15.832 ( -5.668 0.000 0.027) 5.668 16.035 ( 14.005 0.000 4.229) 14.629 16.571 ( 0.973 0.000 5.976) 6.055 16.952 ( 2.683 0.000 -11.859) 12.159 17.430 ( 17.321 0.000 0.028) 17.321 17.817 ( 10.578 0.000 5.126) 11.755 18.162 ( 4.825 0.000 -7.431) 8.860 18.752 ( 2.289 0.000 -10.361) 10.610 19.513 ( -14.866 0.000 0.337) 14.870 20.291 ( 22.990 0.000 25.858) 34.600 20.506 ( -22.834 0.000 -0.003) 22.834 21.039 ( -10.582 0.000 -8.690) 13.693 21.793 ( 11.788 0.000 -0.011) 11.788 22.724 ( 17.920 0.000 -20.808) 27.461 ======================= Grid point 241 (106/224) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( -44.427 0.000 22.494) 49.797 3.102 ( -22.157 0.000 57.213) 61.354 4.224 ( -57.097 0.000 20.935) 60.814 5.241 ( -56.513 0.000 -15.559) 58.615 5.247 ( -1.426 0.000 -18.880) 18.934 6.173 ( 2.974 0.000 5.298) 6.075 7.314 ( 2.119 0.000 2.297) 3.125 7.426 ( 27.863 0.000 -6.905) 28.706 7.864 ( 3.167 0.000 -4.791) 5.743 8.431 ( 22.663 0.000 -0.052) 22.663 8.867 ( 8.558 0.000 -4.374) 9.611 8.913 ( -4.690 0.000 -4.879) 6.768 9.239 ( 8.717 0.000 1.433) 8.834 9.380 ( -18.032 0.000 -21.224) 27.850 10.257 ( -14.393 0.000 1.099) 14.435 10.968 ( -20.893 0.000 -0.592) 20.902 11.038 ( -5.644 0.000 1.237) 5.778 11.491 ( 4.260 0.000 3.794) 5.704 11.870 ( -25.260 0.000 1.060) 25.282 12.347 ( 7.474 0.000 22.926) 24.113 12.656 ( -21.558 0.000 -3.561) 21.850 13.078 ( 6.696 0.000 -1.527) 6.868 13.102 ( 10.859 0.000 4.059) 11.593 13.509 ( -6.422 0.000 3.142) 7.149 13.854 ( -16.764 0.000 -0.601) 16.775 14.496 ( -9.475 0.000 2.366) 9.766 15.187 ( 11.652 0.000 -0.940) 11.690 15.682 ( 3.673 0.000 1.494) 3.965 15.723 ( -4.830 0.000 0.039) 4.830 16.215 ( -6.558 0.000 -9.474) 11.522 16.294 ( -14.060 0.000 -0.148) 14.061 17.440 ( 35.724 0.000 -1.379) 35.751 17.842 ( 23.326 0.000 0.017) 23.326 18.016 ( 6.529 0.000 6.215) 9.015 18.208 ( 5.194 0.000 -10.390) 11.616 18.718 ( -0.778 0.000 -9.999) 10.029 19.219 ( -12.636 0.000 -8.765) 15.379 20.011 ( -26.323 0.000 -0.005) 26.323 20.396 ( -18.427 0.000 2.083) 18.545 21.047 ( 7.936 0.000 9.374) 12.282 21.998 ( 8.519 0.000 -0.027) 8.519 23.179 ( 35.128 0.000 -4.137) 35.371 ======================= Grid point 242 (107/224) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -32.261 0.000 33.206) 46.297 2.445 ( -70.491 0.000 24.821) 74.733 3.485 ( -16.930 0.000 76.317) 78.172 4.372 ( -26.164 0.000 -22.465) 34.485 5.130 ( -1.355 0.000 -21.705) 21.748 6.258 ( 2.649 0.000 5.983) 6.543 7.348 ( 0.693 0.000 -0.837) 1.087 7.682 ( -15.203 0.000 1.610) 15.288 7.840 ( 12.162 0.000 -1.922) 12.313 8.719 ( 8.305 0.000 -1.410) 8.423 8.763 ( 6.981 0.000 -17.683) 19.011 9.048 ( 9.001 0.000 -1.581) 9.139 9.535 ( 27.112 0.000 -25.469) 37.198 9.569 ( 22.600 0.000 1.120) 22.627 9.985 ( -12.207 0.000 -0.560) 12.220 10.480 ( -26.597 0.000 0.162) 26.597 10.735 ( -24.046 0.000 -1.109) 24.071 11.470 ( -13.215 0.000 0.805) 13.240 11.592 ( 3.306 0.000 3.868) 5.088 12.232 ( -13.471 0.000 -4.649) 14.250 12.749 ( 18.168 0.000 28.611) 33.892 13.061 ( -7.893 0.000 5.691) 9.730 13.175 ( 3.565 0.000 -1.592) 3.905 13.484 ( -16.928 0.000 0.248) 16.930 13.662 ( 13.040 0.000 -0.318) 13.044 14.320 ( -8.256 0.000 2.033) 8.503 15.128 ( -43.692 0.000 -15.759) 46.447 15.522 ( -11.093 0.000 -5.041) 12.185 15.648 ( -2.610 0.000 0.047) 2.610 15.778 ( 5.170 0.000 -0.519) 5.196 16.472 ( 13.626 0.000 3.455) 14.057 17.646 ( -13.391 0.000 -0.902) 13.421 18.284 ( 7.265 0.000 -2.816) 7.792 18.344 ( 26.610 0.000 0.008) 26.610 18.433 ( 17.960 0.000 -6.253) 19.018 18.748 ( 12.278 0.000 -0.499) 12.288 19.005 ( 1.916 0.000 -8.718) 8.926 19.466 ( -27.921 0.000 -0.005) 27.921 19.886 ( -30.633 0.000 1.284) 30.660 21.158 ( 0.783 0.000 7.673) 7.713 22.127 ( 4.368 0.000 -0.037) 4.368 23.991 ( 38.729 0.000 3.841) 38.919 ======================= Grid point 243 (108/224) ======================= q-point: ( 0.00 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -1.747 34.846 27.778) 44.597 2.268 ( -1.704 32.305 37.100) 49.224 3.841 ( -0.575 18.343 61.032) 63.731 4.094 ( 1.119 7.991 -21.894) 23.334 5.250 ( 1.009 17.070 -14.783) 22.604 6.382 ( -0.128 6.442 4.476) 7.845 7.304 ( -6.742 1.521 -1.132) 7.004 7.539 ( 6.018 -1.692 4.040) 7.444 7.839 ( -4.894 -5.675 0.962) 7.556 8.456 ( 3.013 -19.542 -29.752) 35.724 9.124 ( 7.954 10.916 -10.944) 17.384 9.309 ( 6.624 7.409 -4.062) 10.737 9.740 ( -13.863 5.060 -4.096) 15.315 9.808 ( 1.366 -3.146 0.899) 3.546 9.890 ( 3.615 -8.711 1.713) 9.586 10.184 ( 3.591 10.068 -1.303) 10.769 10.474 ( -6.573 15.492 -3.903) 17.276 11.433 ( 0.493 9.483 2.827) 9.907 11.690 ( -1.874 0.958 -4.729) 5.176 12.116 ( 1.019 3.486 -3.743) 5.215 12.955 ( 2.575 -0.018 3.647) 4.465 13.083 ( -2.478 -10.631 21.310) 23.944 13.220 ( -1.845 -1.822 -0.077) 2.594 13.308 ( -2.730 5.448 1.461) 6.267 13.944 ( -1.220 7.454 0.536) 7.573 14.241 ( 3.579 1.440 -1.119) 4.017 14.332 ( -0.775 10.191 1.659) 10.354 15.387 ( -2.135 -2.046 -3.087) 4.275 15.621 ( 3.272 1.661 -3.568) 5.118 16.235 ( 0.855 23.092 0.229) 23.109 16.836 ( 16.284 2.549 3.721) 16.897 17.255 ( -20.858 -0.956 -1.906) 20.967 18.110 ( 5.221 -26.174 -1.996) 26.765 18.285 ( -11.946 -33.067 0.320) 35.160 18.341 ( -5.809 -19.730 -6.631) 21.610 18.536 ( 4.957 -5.103 -7.499) 10.337 18.900 ( 0.695 -3.614 0.502) 3.714 19.707 ( -10.367 27.934 0.056) 29.795 19.981 ( 21.956 21.901 -1.794) 31.063 21.543 ( 1.265 23.579 9.310) 25.381 22.058 ( -0.106 -6.531 -1.596) 6.724 24.106 ( -0.346 -26.624 4.502) 27.004 ======================= Grid point 244 (109/224) ======================= q-point: ( 0.11 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 28.654 19.858 30.130) 46.078 2.878 ( 47.774 23.434 29.009) 60.606 4.169 ( 12.816 11.067 41.374) 44.705 4.292 ( 28.085 10.895 -18.716) 35.465 5.242 ( 2.484 18.805 -5.607) 19.779 6.349 ( -4.917 4.931 4.027) 8.044 7.091 ( -14.174 4.772 -0.624) 14.969 7.604 ( -14.055 -5.598 -2.872) 15.399 7.952 ( 25.242 -0.520 2.049) 25.331 8.386 ( 6.574 -16.735 -29.052) 34.165 9.030 ( -16.896 12.771 -9.838) 23.353 9.237 ( -8.333 2.669 -7.004) 11.208 9.489 ( -15.260 -2.272 1.173) 15.472 9.685 ( 3.920 8.577 1.591) 9.564 9.732 ( -8.134 5.977 -3.044) 10.543 10.574 ( 21.976 5.701 3.948) 23.045 10.692 ( 19.106 4.904 -2.727) 19.913 11.537 ( 8.430 7.476 1.894) 11.425 11.635 ( -0.835 0.328 -0.246) 0.930 12.267 ( 15.013 5.564 -4.078) 16.522 12.933 ( -12.720 -3.260 21.060) 24.819 13.093 ( 4.204 -1.025 1.209) 4.493 13.211 ( 2.837 -0.520 4.507) 5.351 13.345 ( 7.020 9.324 0.533) 11.683 13.776 ( -8.668 7.627 -0.647) 11.564 14.362 ( 4.290 4.469 1.307) 6.331 14.859 ( 35.403 -15.493 -4.280) 38.881 15.430 ( 6.665 0.432 -0.930) 6.743 15.629 ( -0.055 2.163 -6.366) 6.723 16.235 ( -0.089 21.871 -0.301) 21.874 16.846 ( -15.758 0.325 -0.131) 15.762 17.159 ( 10.416 2.255 4.436) 11.544 17.856 ( -23.268 -33.034 0.715) 40.412 17.990 ( -26.897 -24.926 -0.024) 36.671 18.127 ( -3.364 -8.642 -7.365) 11.842 18.633 ( 5.848 -8.349 -6.851) 12.282 18.857 ( -3.885 3.072 -1.947) 5.322 19.726 ( 12.443 18.785 0.151) 22.533 20.584 ( 33.559 11.999 -4.045) 35.868 21.564 ( -3.039 19.964 9.137) 22.165 22.010 ( -3.848 -5.808 -2.593) 7.433 23.777 ( -31.199 -18.919 3.247) 36.632 ======================= Grid point 245 (110/224) ======================= q-point: ( 0.22 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.218 ( 33.548 10.362 26.780) 44.159 3.840 ( 30.984 6.969 30.120) 43.770 4.573 ( 19.074 -3.104 -2.225) 19.453 5.211 ( 40.065 16.824 -16.724) 46.561 5.356 ( 32.032 23.820 21.328) 45.258 6.218 ( -9.583 1.708 3.641) 10.393 6.747 ( -18.792 10.997 1.831) 21.850 7.251 ( -17.282 -1.533 -8.283) 19.226 8.097 ( -0.188 -7.004 -23.699) 24.714 8.472 ( -26.772 7.527 0.294) 27.812 8.911 ( 23.570 -4.894 -2.053) 24.160 9.068 ( -6.536 4.503 -7.089) 10.642 9.313 ( 16.213 0.574 -7.497) 17.872 9.576 ( -4.383 9.931 -4.042) 11.583 9.948 ( 15.661 6.060 4.504) 17.386 10.883 ( 2.541 8.905 4.928) 10.490 11.008 ( 14.400 -5.725 -1.553) 15.574 11.553 ( -1.304 -2.735 0.391) 3.055 11.918 ( 21.444 9.580 3.579) 23.758 12.618 ( 17.101 6.609 -3.392) 18.645 12.804 ( -5.652 -1.361 14.305) 15.441 13.053 ( -5.727 0.917 2.032) 6.146 13.238 ( -8.587 8.818 2.347) 12.530 13.599 ( 13.814 9.648 -0.783) 16.868 13.696 ( 6.054 6.221 3.442) 9.338 14.527 ( 11.292 -1.312 1.953) 11.534 15.300 ( 9.811 -21.804 -0.896) 23.926 15.384 ( -9.365 1.551 -1.645) 9.634 15.789 ( 14.528 2.711 -3.603) 15.212 16.282 ( 5.741 15.970 -3.561) 17.340 16.604 ( -13.330 -1.241 2.285) 13.582 17.104 ( -18.224 -4.245 0.716) 18.726 17.413 ( -20.664 -32.191 0.116) 38.253 17.596 ( -3.424 -12.338 3.860) 13.374 18.030 ( -3.443 -4.773 -5.573) 8.105 18.683 ( 1.399 -2.960 -2.402) 4.061 18.749 ( -4.929 2.438 -4.491) 7.100 20.088 ( 21.377 7.037 -0.103) 22.506 21.159 ( 19.254 7.311 -1.113) 20.626 21.503 ( -3.442 3.772 9.340) 10.644 21.896 ( -4.913 1.363 -6.270) 8.082 23.033 ( -39.379 -5.412 -4.259) 39.977 ======================= Grid point 246 (111/224) ======================= q-point: ( 0.33 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.996 ( 33.235 3.757 21.266) 39.635 4.472 ( 23.259 5.646 20.807) 31.714 4.857 ( 9.366 -2.762 -10.333) 14.217 5.257 ( -10.304 10.958 15.264) 21.430 5.998 ( -7.659 -3.949 4.624) 9.780 6.467 ( -7.324 15.891 5.952) 18.482 6.686 ( 38.860 14.059 -14.974) 43.954 6.962 ( 9.837 4.757 -2.327) 11.172 7.832 ( -23.165 2.820 -3.940) 23.666 8.179 ( 11.806 6.114 -12.248) 18.077 8.871 ( -4.416 -10.574 -10.826) 15.765 9.002 ( -1.474 11.825 -6.807) 13.724 9.449 ( -3.362 12.454 -6.225) 14.323 10.192 ( 33.267 -4.420 1.737) 33.605 10.372 ( 36.364 2.770 3.266) 36.615 10.734 ( -17.095 11.796 7.460) 22.069 11.142 ( -2.096 -7.754 1.088) 8.105 11.632 ( 9.419 -3.016 -1.536) 10.009 12.266 ( 5.481 5.689 6.926) 10.506 12.586 ( -9.175 1.698 -0.423) 9.340 12.776 ( -10.427 -0.414 7.177) 12.665 13.099 ( 0.779 14.651 -0.320) 14.676 13.199 ( 20.439 13.940 -1.840) 24.808 13.754 ( 1.151 4.790 -0.887) 5.005 13.929 ( 9.952 6.682 6.841) 13.802 14.706 ( -0.621 0.531 -0.415) 0.916 15.151 ( -2.945 -2.229 -0.451) 3.721 15.522 ( 8.151 -15.280 0.816) 17.337 15.959 ( 3.950 1.484 -0.976) 4.331 16.091 ( -30.272 -6.268 8.242) 31.994 16.350 ( 0.495 6.964 -4.672) 8.400 17.018 ( -13.865 -32.603 -0.681) 35.435 17.065 ( 8.982 -2.545 -5.795) 10.988 17.620 ( -1.416 -5.434 5.316) 7.733 17.957 ( -1.781 -4.152 -3.005) 5.426 18.656 ( -2.170 1.410 -0.757) 2.696 18.719 ( 3.770 0.151 2.249) 4.392 20.517 ( 20.100 1.420 0.146) 20.151 21.006 ( -29.270 -10.032 22.511) 38.264 21.635 ( -0.080 -3.453 -7.812) 8.541 21.918 ( 17.368 12.692 -10.545) 23.957 22.306 ( -26.801 7.525 -15.963) 32.089 ======================= Grid point 247 (112/224) ======================= q-point: ( 0.44 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.566 ( -14.888 5.856 8.401) 18.070 4.647 ( 3.258 7.725 13.900) 16.233 4.876 ( 1.991 -4.354 -1.850) 5.132 5.253 ( 11.109 6.112 26.303) 29.199 6.019 ( 7.948 -3.793 0.564) 8.825 6.336 ( -10.273 6.656 -3.362) 12.694 6.712 ( 4.831 7.887 4.819) 10.430 7.346 ( -1.498 3.092 -15.887) 16.254 7.545 ( 4.180 9.887 -11.579) 15.789 8.681 ( 5.443 -8.102 -13.559) 16.707 8.888 ( 8.082 7.181 -4.263) 11.622 9.094 ( 42.007 16.213 -2.116) 45.077 9.350 ( -4.501 13.243 -9.280) 16.786 10.010 ( -45.857 13.053 9.375) 48.592 10.596 ( 14.355 0.399 3.695) 14.828 11.007 ( -9.521 -6.382 2.964) 11.839 11.387 ( 35.836 -7.760 5.065) 37.014 11.794 ( 4.754 -5.171 -1.520) 7.187 12.165 ( -11.256 2.121 2.248) 11.672 12.487 ( -6.695 -1.709 6.640) 9.583 12.681 ( 3.665 7.513 -0.707) 8.389 13.107 ( -5.831 25.098 -0.646) 25.774 13.443 ( 3.575 12.227 3.044) 13.097 13.856 ( 14.250 3.985 -1.569) 14.880 14.059 ( 1.707 5.155 2.538) 5.994 14.498 ( -16.070 0.529 -2.491) 16.271 15.116 ( -3.011 -2.710 2.200) 4.610 15.630 ( 2.273 -12.995 0.808) 13.218 15.749 ( -7.911 -4.228 13.024) 15.814 16.024 ( -0.346 4.559 -4.903) 6.704 16.324 ( 3.318 -3.589 -6.169) 7.871 16.787 ( -6.018 -31.133 -1.462) 31.743 17.258 ( 4.301 0.554 0.643) 4.384 17.558 ( -2.423 -2.615 -0.673) 3.628 17.951 ( 2.670 -4.417 -3.266) 6.107 18.650 ( 1.354 -1.867 -1.332) 2.663 18.943 ( 16.771 0.342 13.265) 21.386 20.374 ( -35.086 -17.486 20.611) 44.290 20.900 ( 12.527 0.019 0.102) 12.527 21.493 ( -7.871 2.844 -4.323) 9.419 21.846 ( -12.658 12.961 -19.118) 26.338 22.278 ( 19.729 7.091 -15.199) 25.895 ======================= Grid point 248 (113/224) ======================= q-point: (-0.44 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.973 ( -37.079 5.687 23.924) 44.492 4.368 ( -29.179 9.127 8.835) 31.824 5.153 ( 13.211 -0.275 -0.060) 13.214 5.493 ( -4.656 8.815 12.241) 15.787 6.128 ( -4.873 -2.642 0.186) 5.546 6.289 ( 19.671 2.251 -2.197) 19.921 6.931 ( 10.960 -0.631 8.778) 14.056 7.406 ( 14.011 7.137 -7.187) 17.289 7.616 ( 9.744 8.774 -18.389) 22.585 8.380 ( -38.830 7.859 -16.631) 42.966 8.884 ( -0.095 10.202 -4.176) 11.024 8.920 ( -24.082 -2.019 1.587) 24.219 9.419 ( -5.702 14.351 -5.537) 16.405 10.213 ( 48.086 13.114 2.776) 49.919 10.739 ( -9.532 -3.610 1.316) 10.277 10.922 ( 7.410 -3.493 4.263) 9.235 11.432 ( -37.113 -4.288 3.761) 37.549 11.750 ( -5.066 -4.036 1.339) 6.614 11.984 ( -4.039 2.245 5.757) 7.382 12.461 ( 5.869 -1.442 2.726) 6.630 12.696 ( -2.137 4.769 0.808) 5.288 13.138 ( 0.850 22.671 -0.237) 22.688 13.652 ( 14.009 11.477 -0.345) 18.114 13.864 ( -15.110 5.253 -1.828) 16.101 13.982 ( -6.000 4.516 3.640) 8.345 14.423 ( 13.645 1.558 -1.268) 13.792 15.156 ( 2.364 2.667 5.667) 6.695 15.587 ( -6.538 -11.434 1.229) 13.229 15.689 ( -3.903 -4.666 6.860) 9.169 15.894 ( -2.854 -1.624 -4.232) 5.357 16.495 ( 10.852 -0.634 -2.355) 11.122 16.771 ( 4.947 -31.089 -0.905) 31.493 17.129 ( -12.694 -1.709 -1.337) 12.878 17.659 ( 9.610 2.035 1.643) 9.960 18.028 ( 6.337 -4.595 -6.166) 9.964 18.677 ( 2.155 -3.852 -4.170) 6.072 19.457 ( 22.814 -3.706 15.239) 27.685 19.857 ( -18.379 -15.626 18.258) 30.254 20.916 ( -12.208 1.698 0.449) 12.333 21.370 ( -4.868 5.910 -10.402) 12.916 21.662 ( 2.465 8.597 -5.974) 10.755 22.559 ( 15.739 6.154 -19.854) 26.072 ======================= Grid point 249 (114/224) ======================= q-point: (-0.33 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.355 ( -35.922 1.487 31.036) 47.496 3.771 ( -34.220 17.074 23.933) 45.114 5.085 ( -22.656 6.768 -1.484) 23.692 5.395 ( 0.831 9.605 -4.673) 10.713 6.088 ( 0.076 -3.105 3.509) 4.686 6.700 ( -17.299 9.376 -0.905) 19.697 6.959 ( -7.737 5.433 -3.144) 9.963 7.269 ( -8.137 -0.078 -2.240) 8.440 7.774 ( 8.869 9.622 -9.120) 15.950 7.952 ( 26.629 6.834 0.564) 27.497 8.745 ( 1.053 -9.862 -12.630) 16.059 8.889 ( 2.824 9.022 -4.529) 10.482 9.363 ( 0.121 13.584 -6.380) 15.008 10.222 ( -48.271 -3.876 -1.190) 48.441 10.527 ( -13.228 -1.619 2.582) 13.575 11.069 ( 11.579 11.073 2.600) 16.231 11.089 ( 2.087 -3.701 0.576) 4.288 11.552 ( -10.246 0.914 -0.819) 10.319 12.052 ( 5.248 -0.434 15.053) 15.948 12.551 ( -15.909 7.637 1.953) 17.755 12.722 ( 15.193 0.429 2.410) 15.389 13.061 ( -0.367 11.212 -1.067) 11.269 13.275 ( -25.107 6.464 -2.938) 26.091 13.735 ( -10.952 -0.199 1.502) 11.056 14.185 ( 6.327 19.386 4.140) 20.808 14.606 ( 0.968 1.398 1.034) 1.990 15.106 ( -3.657 3.218 -1.283) 5.037 15.441 ( -7.668 -16.395 0.666) 18.112 15.709 ( 5.351 -1.318 4.181) 6.917 16.111 ( 21.064 -0.502 2.558) 21.225 16.595 ( -3.904 2.984 5.446) 7.335 16.913 ( 0.488 -3.543 -12.098) 12.615 16.998 ( 16.858 -34.390 -0.078) 38.300 17.870 ( 8.455 0.426 7.200) 11.114 18.123 ( 5.866 -3.599 -9.771) 11.951 18.692 ( 1.642 -5.706 -8.864) 10.669 19.389 ( -14.562 -11.723 -0.277) 18.696 20.268 ( 25.204 -4.347 24.271) 35.259 20.580 ( -16.156 4.270 3.399) 17.053 21.124 ( -13.396 9.098 -8.310) 18.201 21.818 ( 9.971 3.194 -1.590) 10.590 22.781 ( 16.119 5.155 -19.292) 25.662 ======================= Grid point 250 (115/224) ======================= q-point: (-0.22 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( -35.698 5.434 29.376) 46.549 3.289 ( -27.577 16.969 41.467) 52.612 4.458 ( -42.237 19.869 13.531) 48.599 5.255 ( -32.919 9.451 -8.212) 35.219 5.481 ( -29.812 15.343 -16.438) 37.341 6.202 ( 4.586 2.909 5.055) 7.419 7.298 ( 4.286 -2.485 -4.311) 6.567 7.420 ( 24.778 -0.079 -3.790) 25.066 7.893 ( 0.084 3.313 -2.827) 4.356 8.487 ( 22.512 4.064 -1.164) 22.906 8.802 ( 7.336 -4.217 -5.545) 10.117 8.987 ( 6.991 6.762 -5.183) 11.021 9.159 ( -21.973 -3.193 -1.746) 22.272 9.533 ( -0.436 10.344 -12.561) 16.278 10.264 ( -13.378 0.608 1.378) 13.462 10.889 ( -18.404 -5.717 -0.744) 19.286 11.161 ( -5.179 10.231 0.791) 11.494 11.483 ( 1.253 0.491 0.711) 1.522 12.018 ( -20.446 10.158 1.020) 22.853 12.355 ( 5.718 0.848 21.272) 22.044 12.705 ( -22.485 4.305 -3.206) 23.117 13.031 ( 9.795 -1.006 1.462) 9.955 13.211 ( 0.703 6.237 3.639) 7.255 13.553 ( -0.315 5.146 0.677) 5.199 14.002 ( -20.849 13.756 -0.384) 24.981 14.497 ( -7.711 0.610 2.661) 8.180 15.180 ( -1.105 -7.381 -0.706) 7.497 15.313 ( 2.907 -11.579 -1.300) 12.009 15.853 ( 3.726 4.669 1.288) 6.111 16.318 ( -16.731 2.452 -3.578) 17.284 16.407 ( 4.817 11.858 -2.584) 13.057 17.309 ( 33.471 -17.911 -1.013) 37.975 17.406 ( 24.439 -27.640 -0.698) 36.902 17.967 ( -2.301 -8.801 2.871) 9.539 18.217 ( 8.272 0.420 -6.523) 10.543 18.662 ( -0.670 -5.751 -11.234) 12.638 19.107 ( -12.132 -9.683 -6.784) 16.940 20.103 ( -20.350 8.226 -0.403) 21.954 20.616 ( -16.986 17.148 2.506) 24.267 21.102 ( 17.177 -1.587 16.418) 23.814 21.967 ( 5.681 1.694 -3.803) 7.043 23.144 ( 27.177 -2.460 -6.133) 27.969 ======================= Grid point 251 (116/224) ======================= q-point: (-0.11 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -27.695 19.058 31.721) 46.222 2.726 ( -48.917 20.925 30.366) 61.260 3.783 ( -23.969 31.135 54.322) 67.043 4.426 ( -25.144 6.727 -21.504) 33.763 5.310 ( -0.399 14.432 -17.620) 22.780 6.321 ( 4.069 5.476 5.092) 8.513 7.342 ( 1.887 -1.100 -3.538) 4.158 7.686 ( -16.823 0.601 3.263) 17.147 7.786 ( 11.611 -4.822 -3.327) 13.005 8.526 ( -4.039 -10.586 -15.061) 18.847 8.963 ( 9.640 10.839 -4.117) 15.079 9.066 ( 16.142 3.077 -1.726) 16.523 9.416 ( 25.391 -2.340 -6.108) 26.220 9.678 ( 14.243 3.623 -8.423) 16.939 10.009 ( -12.209 3.120 -1.021) 12.642 10.471 ( -21.502 -0.429 0.379) 21.509 10.877 ( -22.088 11.862 -0.990) 25.092 11.469 ( -3.738 3.391 1.862) 5.379 11.744 ( -3.943 7.830 -3.953) 9.616 12.267 ( -13.999 2.963 -3.509) 14.733 12.720 ( 15.022 -3.077 26.328) 30.468 13.048 ( -8.751 -1.210 5.379) 10.343 13.187 ( 3.842 1.126 -0.274) 4.013 13.562 ( -19.743 6.603 -0.436) 20.822 13.741 ( 11.803 8.171 -0.233) 14.358 14.381 ( -4.655 6.577 1.880) 8.274 14.826 ( -31.747 -18.256 -4.988) 36.960 15.496 ( 5.949 0.142 -0.752) 5.998 15.616 ( -15.203 5.349 -10.099) 19.019 16.185 ( 3.749 18.764 -0.855) 19.154 16.538 ( 10.188 6.654 2.067) 12.343 17.633 ( -12.917 -2.117 -1.671) 13.196 17.816 ( 20.477 -33.356 0.685) 39.146 18.180 ( 24.666 -29.438 -1.833) 38.450 18.360 ( 5.722 -1.998 -1.925) 6.359 18.566 ( -3.552 -7.764 -12.783) 15.372 18.895 ( -4.886 -6.759 -2.650) 8.751 19.777 ( -8.438 20.320 -1.523) 22.055 20.168 ( -24.366 21.027 0.899) 32.197 21.424 ( 7.440 15.134 11.991) 20.692 22.035 ( 2.966 -3.195 -2.774) 5.167 23.758 ( 29.137 -18.730 5.315) 35.043 ======================= Grid point 252 (117/224) ======================= q-point: ( 0.00 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 3.947 40.601 21.556) 46.137 2.846 ( -5.930 24.498 35.086) 43.201 4.338 ( -1.075 17.587 -21.000) 27.413 4.584 ( 1.278 49.846 20.342) 53.852 5.597 ( 0.529 15.504 -0.555) 15.523 6.549 ( -0.019 9.701 4.535) 10.709 7.291 ( -1.741 -4.281 -7.330) 8.665 7.480 ( 0.747 -4.629 5.508) 7.234 7.692 ( -1.457 -7.917 -0.009) 8.050 8.218 ( 0.299 -1.423 -23.540) 23.584 9.275 ( 5.515 2.700 -0.245) 6.146 9.543 ( -1.048 15.204 -6.122) 16.424 9.742 ( 6.159 -5.829 -0.582) 8.500 9.870 ( 9.404 10.460 -0.427) 14.073 9.916 ( -12.612 11.348 -0.450) 16.972 10.383 ( 6.398 9.141 4.300) 11.958 10.762 ( -9.476 12.312 -5.435) 16.460 11.564 ( 1.546 -10.090 -8.310) 13.163 11.698 ( -4.028 12.019 1.969) 12.828 12.187 ( 2.636 2.957 -2.505) 4.686 12.849 ( 1.933 -9.332 21.136) 23.185 12.970 ( 3.562 0.504 5.479) 6.554 13.219 ( -6.387 0.550 -1.229) 6.527 13.395 ( -1.714 2.438 2.162) 3.682 14.154 ( -6.746 12.118 -2.778) 14.144 14.286 ( 7.263 3.221 -1.233) 8.040 14.641 ( -1.387 18.924 0.866) 18.995 15.424 ( -1.351 3.134 -5.652) 6.603 15.715 ( 2.008 8.380 -8.648) 12.208 16.655 ( 0.633 17.929 2.135) 18.066 16.870 ( 14.247 -2.883 2.921) 14.826 17.142 ( -17.045 -15.547 -1.688) 23.132 17.432 ( 9.574 -29.298 2.710) 30.941 17.635 ( -12.291 -19.697 -1.807) 23.287 18.104 ( -7.970 -12.188 -16.526) 22.027 18.387 ( 2.110 -9.127 -3.751) 10.091 18.787 ( 5.415 -7.133 0.229) 8.959 20.199 ( -10.528 19.741 0.109) 22.373 20.384 ( 16.315 16.836 -0.904) 23.462 21.485 ( 0.383 -20.378 14.757) 25.163 22.341 ( 0.809 21.179 3.543) 21.488 23.574 ( -0.320 -21.063 0.414) 21.070 ======================= Grid point 253 (118/224) ======================= q-point: ( 0.11 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.969 ( 11.511 23.149 32.028) 41.161 3.354 ( 33.860 25.644 24.615) 49.092 4.418 ( 14.351 16.461 -17.650) 28.080 4.908 ( 29.865 42.566 -0.451) 52.001 5.628 ( 0.329 18.232 12.947) 22.364 6.493 ( -6.914 9.271 4.082) 12.264 7.149 ( -8.645 -0.792 -4.910) 9.973 7.467 ( -9.038 -8.341 1.183) 12.355 7.957 ( 26.054 0.675 2.264) 26.160 8.162 ( 8.028 -2.199 -23.979) 25.383 9.158 ( -19.664 0.731 -0.590) 19.687 9.435 ( -4.877 14.516 -6.978) 16.829 9.514 ( -19.223 5.537 -0.986) 20.029 9.790 ( 0.271 3.249 -0.537) 3.304 9.966 ( 4.277 15.594 -2.587) 16.376 10.684 ( 12.696 5.586 3.132) 14.220 10.861 ( 17.510 9.548 -1.947) 20.038 11.497 ( -2.415 -9.102 -5.592) 10.952 11.763 ( 8.875 8.741 2.290) 12.666 12.393 ( 17.755 5.801 -2.834) 18.893 12.836 ( -8.815 -5.487 18.950) 21.608 13.117 ( 1.877 2.247 -0.536) 2.976 13.206 ( 8.997 0.627 6.974) 11.400 13.527 ( 14.588 7.186 0.778) 16.280 13.945 ( -7.313 8.326 -0.531) 11.094 14.556 ( -3.363 12.061 -0.434) 12.529 14.660 ( 17.633 -0.847 -0.664) 17.666 15.486 ( 6.461 3.545 -2.522) 7.790 15.728 ( 3.780 7.727 -9.988) 13.181 16.589 ( -6.523 10.369 0.892) 12.283 16.819 ( -12.551 -6.924 0.146) 14.335 17.172 ( 6.211 -13.884 2.366) 15.393 17.196 ( -19.001 -17.754 2.533) 26.128 17.406 ( -17.590 -19.191 -0.988) 26.051 17.945 ( -1.706 -10.765 -10.258) 14.967 18.437 ( 5.300 -10.848 -5.723) 13.362 18.840 ( -0.359 -3.977 -1.270) 4.191 20.089 ( 1.835 15.565 0.185) 15.674 20.854 ( 27.068 12.781 -2.486) 30.037 21.433 ( -10.979 -21.166 13.219) 27.263 22.326 ( -3.754 21.421 3.700) 22.060 23.375 ( -17.912 -16.730 -3.360) 24.739 ======================= Grid point 254 (119/224) ======================= q-point: ( 0.22 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.439 ( 21.999 10.548 30.275) 38.882 4.100 ( 29.400 18.106 19.483) 39.645 4.681 ( 18.175 14.042 -18.708) 29.623 5.574 ( 9.958 16.839 -3.040) 19.798 5.892 ( 34.913 24.295 10.753) 43.873 6.369 ( 1.439 15.408 5.187) 16.321 6.926 ( -11.406 5.411 -0.715) 12.645 7.232 ( -13.296 -1.238 -1.549) 13.443 8.050 ( 2.054 5.510 -18.386) 19.303 8.628 ( -13.890 6.242 -0.633) 15.241 8.841 ( 13.149 -0.511 -0.759) 13.181 9.116 ( 3.219 1.224 -3.090) 4.627 9.439 ( 5.305 9.948 -7.795) 13.706 9.767 ( -2.261 8.930 -3.253) 9.769 10.124 ( 11.783 10.844 1.580) 16.091 10.910 ( 9.029 -3.197 -2.590) 9.922 11.100 ( 3.253 10.541 4.224) 11.812 11.457 ( 1.320 -6.745 -3.199) 7.581 12.093 ( 20.135 6.872 3.614) 21.580 12.688 ( -2.330 -2.206 9.315) 9.852 12.852 ( 16.047 7.272 0.892) 17.641 13.076 ( -1.720 1.049 1.553) 2.544 13.445 ( 4.833 10.310 5.321) 12.569 13.752 ( 0.136 8.535 -2.364) 8.857 13.998 ( 18.052 17.254 3.746) 25.251 14.521 ( 4.396 2.708 2.253) 5.633 14.964 ( 11.495 -9.808 -0.824) 15.133 15.450 ( -8.933 4.650 -1.602) 10.198 15.870 ( 10.272 5.037 -5.074) 12.515 16.446 ( -13.694 -5.817 0.194) 14.879 16.587 ( -12.869 -16.303 -0.588) 20.779 16.655 ( -24.042 -15.411 1.526) 28.598 17.000 ( -11.776 -7.961 -3.770) 14.706 17.399 ( 7.398 -4.868 4.334) 9.860 17.884 ( -2.399 -8.594 -4.381) 9.940 18.528 ( 5.380 -9.797 -6.067) 12.717 18.780 ( -4.396 -1.465 -0.416) 4.652 20.256 ( 13.450 8.360 -0.007) 15.836 21.111 ( -22.563 -21.464 15.250) 34.675 21.396 ( 22.399 5.761 -4.971) 23.656 22.234 ( -6.331 16.627 4.220) 18.285 22.915 ( -22.417 -3.362 -12.384) 25.830 ======================= Grid point 255 (120/224) ======================= q-point: ( 0.33 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.053 ( 27.491 2.513 23.243) 36.087 4.697 ( 23.790 15.069 13.270) 31.131 4.937 ( 12.146 10.452 -18.192) 24.243 5.485 ( -16.974 11.880 15.178) 25.683 5.998 ( -6.502 4.167 6.241) 9.930 6.675 ( -6.078 5.342 -7.871) 11.289 6.960 ( -12.468 3.282 -1.212) 12.950 7.216 ( 42.397 25.171 -6.124) 49.685 7.967 ( -10.850 11.742 -2.391) 16.165 8.407 ( 12.305 13.305 -5.181) 18.849 8.724 ( -2.278 -0.997 -5.552) 6.083 9.275 ( 0.587 13.615 -7.356) 15.486 9.695 ( -2.287 11.484 -5.746) 13.044 10.094 ( 40.977 -4.544 0.050) 41.228 10.440 ( 21.956 3.832 3.025) 22.492 10.969 ( -2.991 -4.183 -1.530) 5.365 11.030 ( -10.327 11.126 6.957) 16.698 11.569 ( 9.579 -2.959 -3.107) 10.495 12.351 ( -0.937 1.293 8.175) 8.329 12.664 ( -1.513 5.420 0.669) 5.667 12.809 ( -13.360 4.846 4.217) 14.824 13.410 ( 7.139 13.611 -0.925) 15.397 13.433 ( 23.976 5.665 -1.267) 24.669 13.823 ( 1.490 4.768 -2.113) 5.424 14.312 ( 7.520 28.774 8.505) 30.933 14.713 ( 3.110 0.588 0.751) 3.253 15.061 ( 0.297 -5.697 0.822) 5.764 15.329 ( 1.338 -3.615 -0.893) 3.957 15.824 ( -22.911 -13.611 3.130) 26.832 16.018 ( -4.173 -2.487 1.755) 5.165 16.252 ( -13.863 -36.304 -1.155) 38.878 16.503 ( -5.159 7.366 -4.380) 10.003 17.028 ( 12.900 -1.534 -5.408) 14.071 17.501 ( 0.187 -5.199 5.454) 7.537 17.817 ( -2.723 -8.993 0.049) 9.396 18.583 ( 1.938 -6.196 -5.435) 8.467 18.726 ( 0.787 -1.977 3.335) 3.956 20.524 ( -13.308 -11.579 8.846) 19.734 20.615 ( -5.161 -12.053 6.190) 14.499 21.700 ( 3.916 4.897 -1.129) 6.371 22.185 ( 3.780 7.366 -1.362) 8.390 22.472 ( -13.470 12.253 -19.331) 26.557 ======================= Grid point 256 (121/224) ======================= q-point: ( 0.44 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.666 ( 23.073 0.282 12.292) 26.144 4.805 ( -22.474 9.784 0.474) 24.516 4.952 ( -9.210 12.921 3.238) 16.194 5.400 ( 13.163 8.066 20.602) 25.744 6.050 ( 9.961 7.739 1.172) 12.669 6.488 ( -11.697 9.009 -3.791) 15.243 6.769 ( -3.902 -2.768 -2.590) 5.441 7.574 ( 5.794 18.621 -10.238) 22.026 7.782 ( -1.434 12.066 -7.311) 14.181 8.510 ( -0.668 -6.356 -10.997) 12.720 9.157 ( 6.640 16.402 -2.154) 17.826 9.471 ( 41.183 18.385 0.661) 45.105 9.643 ( 5.085 14.836 -9.233) 18.200 10.292 ( -31.190 10.982 4.312) 33.347 10.647 ( 4.076 6.212 1.684) 7.618 10.888 ( -5.440 -3.200 2.107) 6.654 11.253 ( 26.552 -3.779 8.861) 28.245 11.704 ( 2.969 -3.209 -2.276) 4.929 12.220 ( -10.878 2.019 0.369) 11.070 12.440 ( -10.812 -1.782 3.893) 11.629 12.877 ( 12.958 9.932 -0.174) 16.327 13.548 ( -2.064 13.365 -0.580) 13.536 13.720 ( -1.867 10.129 1.986) 10.490 13.980 ( 24.620 10.300 -1.607) 26.736 14.215 ( -10.887 8.555 1.729) 13.954 14.531 ( -19.974 3.751 -1.759) 20.399 15.098 ( 5.820 3.420 5.615) 8.781 15.413 ( 4.365 -7.263 0.393) 8.483 15.641 ( -5.069 -4.921 11.318) 13.342 15.917 ( -6.010 -33.567 -0.306) 34.102 16.130 ( 0.457 1.960 -5.775) 6.116 16.390 ( 0.436 -1.834 -7.859) 8.081 17.264 ( 3.052 0.092 3.217) 4.435 17.472 ( 1.980 -5.307 -0.033) 5.665 17.806 ( 1.626 -9.326 0.633) 9.488 18.583 ( 0.248 -4.546 -2.046) 4.992 18.886 ( 13.258 -6.191 7.543) 16.462 19.899 ( -33.298 -26.717 11.273) 44.155 20.891 ( 12.046 -0.767 -0.063) 12.071 21.586 ( -10.255 3.240 4.238) 11.559 22.099 ( -9.045 11.080 -17.224) 22.389 22.468 ( 15.036 10.790 -11.613) 21.849 ======================= Grid point 257 (122/224) ======================= q-point: (-0.44 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.166 ( -35.849 12.986 10.389) 39.519 4.613 ( -24.247 14.370 14.075) 31.505 5.150 ( 17.657 -0.140 0.840) 17.678 5.729 ( 3.947 13.430 12.342) 18.662 6.155 ( -11.945 6.570 1.597) 13.726 6.381 ( 18.394 7.478 -0.026) 19.856 6.839 ( 12.025 -6.598 -8.721) 16.254 7.681 ( 7.085 17.473 -3.051) 19.100 7.801 ( 7.411 7.726 -11.482) 15.699 8.436 ( -3.926 0.506 -14.252) 14.791 9.141 ( -1.220 14.031 -4.718) 14.853 9.170 ( -50.233 22.735 5.069) 55.371 9.696 ( -6.712 12.705 -3.733) 14.846 10.403 ( 22.280 0.350 1.742) 22.351 10.683 ( -5.178 -1.647 -2.566) 6.009 10.954 ( 13.503 10.923 4.562) 17.957 11.380 ( -18.699 0.226 5.900) 19.609 11.680 ( -0.599 -2.586 3.642) 4.507 12.010 ( -8.336 0.114 -0.732) 8.369 12.444 ( 10.934 0.195 2.078) 11.131 12.849 ( -10.806 8.321 0.453) 13.646 13.559 ( -3.328 14.828 0.297) 15.200 13.807 ( -1.820 -1.168 -0.114) 2.166 13.964 ( -25.741 8.037 -2.164) 27.053 14.205 ( 24.061 14.220 3.457) 28.161 14.507 ( 18.717 8.014 -2.067) 20.465 15.288 ( 3.066 10.777 5.768) 12.603 15.383 ( -6.868 -5.138 3.406) 9.229 15.519 ( -5.589 -11.305 7.375) 14.609 15.888 ( -0.507 -20.374 -1.600) 20.443 16.019 ( -1.298 -10.044 -5.162) 11.367 16.562 ( 13.837 0.010 -6.147) 15.141 17.082 ( -14.910 -2.484 2.321) 15.292 17.662 ( 9.170 -1.507 4.196) 10.197 17.887 ( 7.556 -8.625 -5.780) 12.841 18.567 ( -1.096 -6.761 -2.280) 7.218 19.274 ( 7.970 -14.497 6.575) 17.802 19.448 ( -1.974 -22.226 14.315) 26.511 20.932 ( -9.346 -0.205 0.227) 9.351 21.504 ( 0.817 4.932 1.700) 5.280 21.871 ( -6.196 11.320 -10.666) 16.742 22.714 ( 14.179 7.975 -15.372) 22.382 ======================= Grid point 258 (123/224) ======================= q-point: (-0.33 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.516 ( -33.687 14.218 17.118) 40.373 4.169 ( -26.742 20.860 22.519) 40.711 5.265 ( -8.409 10.338 -9.284) 16.241 5.668 ( -4.920 16.531 6.159) 18.314 6.055 ( 1.399 0.801 5.000) 5.253 6.871 ( 22.859 6.805 -0.057) 23.850 7.027 ( 2.472 -1.750 -4.198) 5.177 7.393 ( -39.418 14.264 -13.506) 44.041 8.025 ( 4.505 9.280 -7.068) 12.505 8.149 ( 9.087 16.040 2.432) 18.595 8.652 ( 0.128 2.573 -2.274) 3.436 9.118 ( 0.864 12.054 -4.421) 12.868 9.627 ( -3.998 11.924 -5.017) 13.540 10.143 ( -40.266 -2.909 -2.883) 40.474 10.462 ( -9.782 -4.287 3.247) 11.163 11.003 ( -4.739 -2.861 -3.083) 6.336 11.340 ( 4.116 10.477 3.389) 11.755 11.605 ( -5.780 4.973 -2.452) 8.010 12.029 ( 7.159 -1.926 12.953) 14.925 12.683 ( -9.777 3.540 0.756) 10.426 12.803 ( 16.671 9.186 2.389) 19.184 13.287 ( -21.551 6.760 -0.348) 22.589 13.404 ( -12.380 5.853 0.152) 13.695 13.764 ( -7.811 5.151 -0.054) 9.356 14.640 ( -0.858 10.034 5.651) 11.548 14.763 ( 4.700 27.699 -0.375) 28.098 15.138 ( -13.443 -9.689 2.558) 16.767 15.215 ( -5.231 7.171 -4.322) 9.873 15.655 ( 17.130 -9.089 3.898) 19.780 16.027 ( 21.801 -4.143 3.139) 22.412 16.205 ( 15.652 -39.134 -0.637) 42.153 16.701 ( -7.546 6.398 4.063) 10.695 16.837 ( 0.637 -2.842 -11.826) 12.179 17.803 ( 2.314 -6.036 7.173) 9.656 18.035 ( 9.666 -4.755 -10.002) 14.700 18.532 ( -0.547 -9.567 -5.470) 11.034 19.070 ( -10.923 -18.525 -2.238) 21.622 20.033 ( 30.377 -17.822 23.547) 42.366 20.647 ( -15.713 2.966 0.519) 15.999 21.382 ( -13.501 13.628 -4.085) 19.613 21.897 ( 9.301 3.034 -0.078) 9.784 22.914 ( 12.939 7.190 -16.623) 22.259 ======================= Grid point 259 (124/224) ======================= q-point: (-0.22 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( -25.582 18.102 23.587) 39.224 3.730 ( -27.849 24.373 25.840) 45.137 4.903 ( -19.565 22.853 -4.290) 30.389 5.591 ( -11.100 18.640 5.477) 22.375 5.882 ( -45.761 23.979 -7.049) 52.142 6.313 ( -1.754 10.285 3.857) 11.124 7.210 ( 7.493 -5.563 -11.882) 15.108 7.405 ( 17.191 -2.127 0.052) 17.322 8.008 ( -4.274 7.707 -2.574) 9.181 8.533 ( 14.009 0.648 -4.877) 14.848 8.800 ( 11.722 4.128 -1.493) 12.517 9.138 ( -14.817 5.465 0.137) 15.794 9.173 ( -2.852 6.654 -4.518) 8.534 9.763 ( 0.776 12.245 -7.702) 14.486 10.283 ( -9.160 1.496 2.719) 9.672 10.796 ( -14.223 -2.597 -3.281) 14.826 11.363 ( -1.988 5.513 0.548) 5.886 11.511 ( -2.461 3.023 -4.449) 5.915 12.162 ( -11.882 3.385 6.098) 13.778 12.377 ( -4.282 0.929 14.200) 14.861 12.796 ( -23.787 3.485 -1.450) 24.085 13.052 ( 7.983 3.306 1.056) 8.705 13.310 ( -12.272 3.680 5.982) 14.140 13.760 ( 11.705 14.758 -0.715) 18.850 14.310 ( -31.705 11.929 -1.692) 33.917 14.598 ( -3.635 12.009 4.539) 13.343 14.903 ( -12.254 -9.262 -1.420) 15.426 15.363 ( 11.846 7.072 -1.209) 13.849 15.958 ( 8.473 5.759 -1.048) 10.299 16.375 ( -10.608 0.263 -4.104) 11.377 16.576 ( 13.343 -15.513 -1.224) 20.498 16.617 ( 24.694 -16.347 2.768) 29.744 17.036 ( 22.978 -14.580 -2.800) 27.357 17.778 ( -6.177 -7.971 -1.322) 10.171 18.187 ( 8.048 -3.409 -3.986) 9.606 18.485 ( -1.623 -11.170 -11.700) 16.257 18.863 ( -8.636 -13.714 -3.633) 16.609 20.282 ( -11.514 7.516 1.056) 13.791 20.775 ( 22.284 -16.648 23.639) 36.504 21.033 ( -17.314 12.864 -1.850) 21.649 22.103 ( 9.386 6.155 2.359) 11.469 23.130 ( 15.190 2.053 -11.997) 19.465 ======================= Grid point 260 (125/224) ======================= q-point: (-0.11 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( -12.605 25.897 28.190) 40.302 3.212 ( -33.448 27.465 24.944) 49.953 4.566 ( -11.709 27.933 -2.725) 30.410 4.805 ( -36.331 43.441 8.109) 57.209 5.607 ( -0.039 13.392 -7.927) 15.563 6.459 ( 6.489 7.823 5.276) 11.452 7.276 ( 3.960 -5.509 -8.933) 11.217 7.610 ( -0.761 -9.082 2.252) 9.388 7.767 ( -13.122 3.770 -0.225) 13.655 8.353 ( -7.819 -4.774 -16.631) 18.987 9.121 ( 10.704 6.552 0.940) 12.586 9.260 ( 22.792 13.281 -1.034) 26.400 9.429 ( 21.003 1.665 -2.769) 21.250 9.767 ( 0.278 7.048 -4.560) 8.399 10.129 ( -7.169 8.515 -0.225) 11.134 10.488 ( -13.681 2.575 -0.040) 13.921 11.139 ( -19.979 12.226 -1.421) 23.466 11.512 ( 4.064 -3.648 -5.920) 8.054 11.853 ( -10.642 5.542 -1.236) 12.062 12.329 ( -14.719 2.584 -0.529) 14.953 12.634 ( 7.904 -4.545 21.584) 23.430 13.021 ( -10.101 -1.051 4.930) 11.288 13.222 ( 4.024 2.281 1.674) 4.919 13.701 ( -26.026 5.760 -0.374) 26.658 13.988 ( 9.982 14.761 -1.394) 17.874 14.571 ( -11.395 1.435 1.304) 11.559 14.638 ( -4.407 10.109 -1.570) 11.139 15.510 ( 0.849 0.719 -0.862) 1.408 15.805 ( -10.533 12.264 -14.375) 21.633 16.449 ( 14.792 7.791 1.142) 16.757 16.716 ( 2.690 6.656 2.272) 7.530 17.071 ( 21.380 -30.741 1.342) 37.469 17.434 ( -2.361 -31.561 -1.282) 31.675 17.666 ( 5.911 -4.521 -3.277) 8.131 18.281 ( 0.237 -5.695 -6.482) 8.632 18.376 ( -1.086 -11.456 -13.826) 17.989 18.727 ( -2.672 -9.704 0.932) 10.108 20.150 ( 0.823 15.232 -0.694) 15.270 20.588 ( -20.770 18.590 0.516) 27.879 21.284 ( 13.203 -21.320 19.438) 31.729 22.265 ( 5.425 14.807 3.151) 16.081 23.414 ( 14.473 -11.474 -3.151) 18.737 ======================= Grid point 261 (126/224) ======================= q-point: ( 0.00 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.346 ( 0.627 27.749 18.456) 33.331 3.533 ( -1.185 34.776 15.458) 38.075 4.796 ( -1.521 27.182 -18.533) 32.935 5.584 ( 2.131 34.912 -21.285) 40.945 5.938 ( -0.949 24.525 25.141) 35.135 6.789 ( 1.332 14.110 4.851) 14.980 7.164 ( 0.320 -4.901 -4.895) 6.935 7.283 ( -4.240 -14.563 3.747) 15.624 7.574 ( 0.729 -3.836 0.996) 4.029 8.364 ( 1.747 13.114 -13.197) 18.687 9.268 ( -1.171 -2.333 -0.048) 2.611 9.619 ( 4.702 -5.791 0.081) 7.460 9.887 ( 1.610 16.607 -2.977) 16.948 10.192 ( 15.770 19.606 -0.727) 25.172 10.216 ( -12.857 17.520 0.593) 21.739 10.551 ( 8.611 6.501 4.482) 11.684 10.921 ( -11.146 0.865 -4.510) 12.055 11.332 ( -0.572 -5.519 -8.034) 9.764 11.945 ( -5.748 10.307 3.106) 12.204 12.231 ( 5.478 1.525 -1.851) 5.980 12.689 ( 2.268 -7.084 17.416) 18.938 12.982 ( 7.891 0.366 5.929) 9.877 13.220 ( -11.481 -0.657 -0.831) 11.529 13.395 ( -0.688 -2.686 2.520) 3.747 14.322 ( -9.134 3.940 -1.541) 10.066 14.430 ( 7.199 9.066 -4.231) 12.325 15.014 ( -2.610 14.332 1.618) 14.657 15.455 ( 1.937 -0.937 -3.312) 3.949 15.935 ( 0.624 10.912 -15.012) 18.569 16.504 ( 12.294 -25.004 0.913) 27.878 16.591 ( -14.667 -24.663 -0.986) 28.712 17.035 ( -2.758 14.019 3.351) 14.675 17.235 ( 13.751 4.775 0.261) 14.559 17.563 ( -7.769 6.621 -4.876) 11.312 17.829 ( -10.810 -12.571 -17.367) 24.010 18.195 ( -0.919 -9.055 1.024) 9.159 18.622 ( 7.792 -8.549 0.228) 11.569 20.501 ( -9.241 9.492 0.481) 13.256 20.649 ( 12.356 8.692 0.202) 15.108 21.100 ( 0.350 -13.619 18.972) 23.357 22.450 ( 0.693 -11.239 13.275) 17.407 23.375 ( -0.049 0.420 -10.861) 10.869 ======================= Grid point 262 (127/224) ======================= q-point: ( 0.11 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.420 ( 4.024 23.304 19.690) 30.773 3.922 ( 25.349 27.463 14.367) 40.040 4.883 ( 15.348 28.518 -17.694) 36.904 5.669 ( 15.942 23.966 -22.506) 36.538 6.058 ( 3.427 25.217 21.650) 33.412 6.725 ( -7.144 11.717 2.371) 13.927 7.106 ( -4.115 0.198 0.287) 4.129 7.258 ( -1.937 -9.246 4.866) 10.626 7.920 ( 32.197 -3.477 1.866) 32.438 8.339 ( 1.696 15.865 -13.746) 21.060 9.146 ( -11.526 -1.273 0.318) 11.601 9.623 ( -3.337 1.087 -2.426) 4.267 9.717 ( -25.027 13.863 -0.397) 28.613 9.959 ( 1.388 15.586 -1.928) 15.766 10.312 ( 1.860 16.839 -3.551) 17.309 10.806 ( 3.885 5.451 -0.202) 6.697 10.967 ( 16.805 -1.245 0.474) 16.857 11.338 ( 2.879 -1.517 -5.620) 6.494 11.910 ( 5.207 5.635 2.525) 8.078 12.478 ( 16.587 2.290 -0.499) 16.752 12.722 ( -4.253 -5.692 14.780) 16.399 13.139 ( 3.355 0.023 -1.181) 3.557 13.259 ( 12.241 3.701 7.805) 14.982 13.592 ( 22.688 -1.075 2.669) 22.869 14.110 ( -9.052 6.934 -1.323) 11.479 14.604 ( 7.534 0.479 -3.469) 8.308 14.940 ( -3.913 14.856 2.512) 15.567 15.538 ( 4.973 0.286 -1.667) 5.252 15.925 ( 4.546 10.302 -14.575) 18.418 16.256 ( -17.764 -26.514 -0.942) 31.929 16.635 ( -4.112 -25.012 2.052) 25.431 16.842 ( -15.957 6.146 1.682) 17.182 17.259 ( -9.785 15.610 1.023) 18.452 17.342 ( -5.848 -2.553 -7.263) 9.668 17.756 ( 4.079 -3.563 -6.230) 8.255 18.202 ( 3.408 -11.633 -2.661) 12.411 18.724 ( 1.977 -6.734 -1.285) 7.135 20.339 ( -2.790 8.745 0.270) 9.183 20.986 ( -1.133 -9.157 13.056) 15.987 21.113 ( 11.228 1.321 2.604) 11.602 22.430 ( -7.718 -11.801 12.465) 18.820 23.247 ( -7.550 3.424 -12.589) 15.073 ======================= Grid point 263 (128/224) ======================= q-point: ( 0.22 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.694 ( 15.439 15.413 17.377) 27.891 4.482 ( 24.453 18.228 10.851) 32.372 5.127 ( 13.812 26.970 -17.115) 34.801 5.903 ( 2.699 15.722 4.912) 16.691 6.198 ( 1.222 8.681 1.400) 8.878 6.702 ( 9.738 4.847 -14.157) 17.854 7.067 ( 0.519 5.157 3.845) 6.454 7.271 ( 6.017 17.385 12.639) 22.320 8.308 ( 2.183 16.308 -7.986) 18.289 8.694 ( 22.017 0.720 -4.107) 22.408 8.902 ( -2.833 5.347 2.597) 6.585 9.197 ( -9.657 7.775 -2.122) 12.578 9.623 ( 1.867 6.886 -3.653) 8.015 9.977 ( -0.216 12.697 -3.244) 13.107 10.368 ( 5.633 12.112 -1.472) 13.439 10.865 ( 3.085 -1.338 -4.556) 5.663 11.249 ( 10.501 1.312 2.845) 10.958 11.324 ( -0.995 -2.657 -4.087) 4.975 12.202 ( 16.139 3.929 5.006) 17.348 12.597 ( -1.828 -5.470 10.260) 11.770 12.958 ( 21.842 0.318 -1.163) 21.875 13.152 ( -1.408 8.228 -0.272) 8.352 13.607 ( 16.386 5.210 6.617) 18.423 13.939 ( -8.308 7.216 0.641) 11.023 14.230 ( 35.391 4.815 2.833) 35.830 14.645 ( -0.037 4.655 0.693) 4.706 14.926 ( 1.978 6.812 -0.253) 7.098 15.562 ( -3.009 4.029 0.052) 5.029 15.840 ( -22.082 -26.631 -1.966) 34.651 16.004 ( 4.045 2.540 -6.532) 8.092 16.205 ( -33.417 -16.458 2.866) 37.360 16.649 ( -1.876 -0.720 -5.813) 6.151 17.089 ( -6.940 14.151 0.802) 15.781 17.318 ( 4.628 -5.440 -2.603) 7.602 17.753 ( -3.966 -1.996 0.295) 4.450 18.308 ( 7.675 -11.342 -4.835) 14.523 18.699 ( -3.171 -5.773 -1.493) 6.754 20.403 ( 8.183 5.493 0.238) 9.859 20.678 ( -27.467 -16.751 15.850) 35.865 21.521 ( 19.956 4.035 -2.576) 20.522 22.273 ( -10.374 -10.333 7.136) 16.289 23.006 ( -10.398 8.984 -13.469) 19.242 ======================= Grid point 264 (129/224) ======================= q-point: ( 0.33 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.146 ( 22.927 7.072 11.912) 26.787 4.995 ( 23.053 14.089 9.141) 28.522 5.248 ( 2.020 16.608 -11.232) 20.151 5.725 ( -18.332 10.485 6.364) 22.057 6.204 ( 0.798 17.128 7.989) 18.917 6.715 ( -1.380 -0.897 -11.947) 12.060 6.984 ( -9.024 2.753 1.266) 9.519 7.762 ( 23.821 24.862 -6.114) 34.971 8.260 ( -10.355 15.029 2.822) 18.468 8.556 ( -7.674 3.998 -6.851) 11.036 8.960 ( 24.112 19.363 2.062) 30.993 9.527 ( 4.697 10.685 -5.431) 12.873 9.917 ( 2.175 9.130 -5.530) 10.894 10.031 ( 37.610 -0.008 1.214) 37.629 10.523 ( 10.533 4.005 0.123) 11.269 10.890 ( 1.452 0.102 -3.080) 3.407 11.222 ( -4.995 3.913 2.974) 7.007 11.523 ( 12.772 -1.129 -2.327) 13.031 12.298 ( -6.366 -6.265 8.874) 12.591 12.757 ( 10.629 3.041 2.147) 11.262 13.027 ( -17.277 15.954 1.231) 23.549 13.378 ( 19.245 -6.364 -2.557) 20.431 13.659 ( -2.180 8.378 1.138) 8.731 13.986 ( 10.082 9.088 -0.007) 13.574 14.751 ( 11.871 1.851 4.967) 13.001 14.899 ( 1.157 15.147 -0.674) 15.206 14.984 ( 17.504 2.567 3.565) 18.047 15.251 ( -28.257 -0.582 3.617) 28.494 15.397 ( -18.024 -31.008 -1.835) 35.913 15.708 ( -5.119 -2.271 1.075) 5.702 16.039 ( 1.663 -1.903 -1.495) 2.936 16.643 ( -2.870 5.202 -5.346) 7.992 17.050 ( 7.074 5.634 -2.449) 9.369 17.421 ( 3.118 -3.452 1.570) 4.909 17.623 ( -8.148 -8.667 4.466) 12.706 18.435 ( 6.115 -7.839 -4.689) 10.992 18.631 ( -1.464 -6.778 -0.842) 6.985 20.070 ( -37.337 -20.119 12.037) 44.088 20.628 ( 12.834 2.578 0.396) 13.097 21.733 ( -2.008 -2.251 2.742) 4.077 22.198 ( 5.430 -2.930 -5.291) 8.128 22.759 ( -8.350 11.856 -11.261) 18.360 ======================= Grid point 265 (130/224) ======================= q-point: ( 0.44 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.661 ( 24.128 0.397 4.729) 24.590 4.998 ( -21.462 7.109 -4.607) 23.073 5.314 ( -15.186 21.566 8.918) 27.843 5.575 ( 18.406 9.356 16.265) 26.284 6.343 ( 11.214 18.986 -1.420) 22.096 6.640 ( -0.104 0.544 -11.999) 12.011 6.759 ( -14.459 9.696 4.918) 18.090 7.951 ( 2.958 10.803 -19.377) 22.381 8.038 ( -6.264 17.705 4.671) 19.353 8.479 ( 0.689 3.962 -1.336) 4.237 9.491 ( 0.146 15.847 -4.149) 16.382 9.766 ( 29.840 9.085 1.224) 31.217 9.901 ( 7.094 9.710 -6.969) 13.899 10.404 ( -5.757 1.355 -2.940) 6.605 10.781 ( 0.373 3.676 -0.739) 3.768 10.985 ( 11.823 13.524 4.480) 18.514 11.259 ( 12.346 2.707 9.973) 16.100 11.688 ( 2.507 2.984 -2.186) 4.469 12.173 ( -7.518 -7.173 2.840) 10.772 12.512 ( -22.278 10.347 -0.566) 24.570 13.039 ( 16.364 5.322 -0.449) 17.214 13.551 ( -0.346 -9.143 -2.174) 9.404 13.793 ( 5.479 -2.750 0.156) 6.132 14.253 ( 4.517 7.356 1.969) 8.854 14.323 ( -14.043 5.302 0.570) 15.021 14.675 ( -21.266 9.623 0.615) 23.350 15.082 ( 7.468 -13.430 2.487) 15.566 15.192 ( -2.585 -23.350 -1.463) 23.538 15.520 ( 14.391 17.244 3.641) 22.753 15.719 ( -3.648 11.493 8.034) 14.489 16.169 ( 15.570 0.304 -5.243) 16.432 16.475 ( -8.304 8.470 -5.470) 13.062 17.278 ( -1.763 1.805 5.360) 5.924 17.352 ( 5.474 -6.545 0.398) 8.542 17.598 ( 2.305 -10.049 3.629) 10.930 18.474 ( -0.572 -5.824 -2.009) 6.187 18.712 ( 9.997 -9.967 1.040) 14.155 19.366 ( -34.050 -23.852 6.290) 42.046 20.870 ( 9.349 -1.034 0.540) 9.421 21.589 ( -8.962 -2.339 4.141) 10.146 22.261 ( -1.607 4.229 -11.846) 12.681 22.672 ( 5.926 7.788 -7.986) 12.631 ======================= Grid point 266 (131/224) ======================= q-point: (-0.44 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.457 ( -28.978 13.676 -0.988) 32.058 4.946 ( -19.217 17.894 14.408) 29.951 5.142 ( 18.346 -0.072 1.585) 18.415 6.008 ( 10.938 13.423 12.911) 21.599 6.416 ( -13.508 18.380 2.812) 22.982 6.602 ( 9.243 13.558 3.686) 16.817 6.725 ( 15.060 -3.394 -16.618) 22.682 7.866 ( 1.052 1.514 -21.804) 21.882 8.074 ( 3.666 18.044 6.256) 19.446 8.531 ( 4.189 8.505 -2.045) 9.698 9.427 ( -3.291 13.784 -4.234) 14.791 9.638 ( -41.707 19.049 0.773) 45.857 9.932 ( -3.906 10.251 -3.821) 11.616 10.330 ( 5.262 -3.948 1.326) 6.711 10.661 ( -10.626 0.847 -4.191) 11.455 11.210 ( -6.100 8.889 3.008) 11.193 11.464 ( -0.376 4.843 9.024) 10.248 11.669 ( 7.161 3.414 5.164) 9.466 11.981 ( -10.902 -3.111 -5.030) 12.402 12.526 ( 23.227 10.157 0.061) 25.351 12.982 ( -15.767 3.899 0.203) 16.243 13.550 ( -6.000 -11.001 -1.978) 12.686 13.739 ( -9.516 -6.218 0.581) 11.382 14.230 ( -18.049 15.750 0.882) 23.971 14.375 ( 35.520 1.035 1.835) 35.583 14.747 ( 21.824 10.186 -0.126) 24.084 15.146 ( -5.031 -18.247 0.739) 18.942 15.176 ( 3.472 -22.302 -0.665) 22.581 15.515 ( -15.634 12.281 6.765) 21.000 15.680 ( 2.953 17.469 3.824) 18.125 16.232 ( -15.548 14.402 -3.863) 21.542 16.574 ( 21.908 2.495 -8.161) 23.512 17.049 ( -13.588 -0.173 6.271) 14.966 17.608 ( 5.843 -3.430 7.032) 9.765 17.715 ( 12.087 -7.049 -5.096) 14.891 18.404 ( -5.947 -9.400 0.399) 11.130 18.860 ( -13.971 -23.647 -1.934) 27.534 19.060 ( 20.794 -15.400 10.453) 27.907 20.911 ( -6.379 -1.465 0.450) 6.560 21.540 ( 3.247 -0.750 3.732) 5.003 22.077 ( -9.849 7.523 -8.733) 15.161 22.842 ( 12.083 3.661 -10.329) 16.313 ======================= Grid point 267 (132/224) ======================= q-point: (-0.33 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.897 ( -26.387 21.460 3.682) 34.211 4.593 ( -21.357 20.650 18.086) 34.780 5.451 ( 9.846 5.843 -7.924) 13.924 6.049 ( -6.706 17.427 7.305) 20.050 6.176 ( -7.283 15.312 6.591) 18.192 6.945 ( 13.443 -2.424 -15.750) 20.849 7.002 ( 20.060 3.378 7.581) 21.709 7.685 ( -22.124 11.544 -17.282) 30.354 8.184 ( 3.106 10.178 -0.756) 10.668 8.553 ( -3.430 18.813 -3.165) 19.383 8.839 ( -15.777 14.199 8.476) 22.855 9.355 ( -2.110 11.248 -3.557) 11.984 9.835 ( -18.579 7.824 -2.181) 20.277 10.145 ( -20.300 3.984 -4.543) 21.180 10.391 ( -3.963 -1.711 3.042) 5.281 10.961 ( -8.753 -1.203 -5.209) 10.256 11.433 ( -6.042 0.188 3.134) 6.809 11.710 ( -6.292 1.987 -4.910) 8.225 11.974 ( 9.297 -3.266 12.460) 15.886 12.732 ( -10.143 1.361 1.185) 10.302 13.067 ( 12.025 15.285 0.947) 19.471 13.246 ( -18.813 -6.234 -1.200) 19.856 13.550 ( -0.839 7.049 2.633) 7.572 13.960 ( -8.954 11.984 0.603) 14.972 14.840 ( -15.088 7.457 3.123) 17.117 14.958 ( -6.385 -3.101 0.298) 7.104 15.253 ( 29.515 -22.338 1.533) 37.047 15.370 ( 8.351 0.819 -4.365) 9.458 15.475 ( 6.482 -9.496 4.617) 12.390 15.529 ( -1.915 23.342 -0.220) 23.422 16.027 ( 5.647 -1.153 1.264) 5.900 16.780 ( -11.833 1.069 -6.010) 13.314 16.916 ( 10.734 11.504 -0.890) 15.759 17.688 ( 1.159 -3.589 2.042) 4.289 17.927 ( 10.161 -5.943 -6.493) 13.444 18.306 ( -2.934 -12.828 -0.643) 13.175 18.668 ( -5.489 -19.849 -5.423) 21.296 19.648 ( 29.065 -17.329 20.520) 39.575 20.701 ( -12.176 2.346 0.148) 12.401 21.586 ( -6.683 4.821 0.766) 8.276 21.923 ( 1.880 0.258 -1.713) 2.557 23.034 ( 11.510 3.447 -11.830) 16.861 ======================= Grid point 268 (133/224) ======================= q-point: (-0.22 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.474 ( -17.695 27.405 9.082) 33.862 4.226 ( -22.892 23.777 16.272) 36.799 5.400 ( -8.801 24.414 -12.410) 28.766 5.930 ( -6.445 16.074 6.449) 18.479 6.197 ( -1.318 6.476 4.668) 8.091 6.815 ( -39.917 33.613 0.361) 52.186 7.086 ( 6.534 -6.478 -14.877) 17.493 7.346 ( 9.120 -1.503 4.129) 10.123 8.197 ( -1.731 10.751 -2.557) 11.186 8.535 ( -12.956 -1.149 -3.103) 13.372 8.919 ( 15.753 6.802 -0.025) 17.159 9.293 ( -8.349 9.473 1.528) 12.719 9.330 ( 1.624 8.470 -3.041) 9.144 10.036 ( 0.180 14.463 -4.514) 15.152 10.342 ( -2.481 4.692 4.126) 6.722 10.772 ( -8.992 -0.916 -6.274) 11.003 11.309 ( -5.129 -6.766 -1.772) 8.673 11.609 ( -2.891 3.240 -4.399) 6.181 12.187 ( 2.071 -0.629 12.521) 12.707 12.397 ( -17.324 1.881 5.877) 18.390 12.809 ( -19.588 -2.188 0.649) 19.720 13.173 ( 1.614 7.638 -0.582) 7.828 13.397 ( -19.325 5.580 5.671) 20.898 14.061 ( 10.613 11.974 1.038) 16.034 14.442 ( -27.815 -0.289 -0.185) 27.818 14.810 ( -4.031 8.693 0.934) 9.628 14.953 ( -15.750 10.019 -0.988) 18.693 15.496 ( 3.590 1.642 0.944) 4.059 15.799 ( 23.105 -29.506 -0.873) 37.486 16.104 ( 19.939 7.139 -2.419) 21.317 16.391 ( 11.648 -8.469 -3.617) 14.849 16.530 ( 7.573 -0.209 -3.402) 8.305 17.059 ( 2.989 13.923 1.776) 14.351 17.667 ( -0.515 -2.724 -10.392) 10.755 18.082 ( 6.752 -6.914 -1.415) 9.767 18.241 ( -2.856 -11.637 -8.046) 14.433 18.562 ( -3.993 -15.404 -2.001) 16.038 20.256 ( 16.257 -12.868 19.973) 28.789 20.536 ( 1.279 1.149 5.521) 5.782 21.295 ( -18.603 9.716 -1.078) 21.016 22.091 ( 10.217 -6.708 5.193) 13.279 23.207 ( 10.382 3.482 -11.665) 15.999 ======================= Grid point 269 (134/224) ======================= q-point: (-0.11 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( -5.544 30.520 14.383) 34.192 3.805 ( -24.283 28.997 14.877) 40.643 5.077 ( -16.266 27.483 -15.396) 35.453 5.770 ( -12.717 25.177 -20.352) 34.782 5.913 ( -9.118 30.352 25.266) 40.531 6.653 ( 7.304 12.569 6.384) 15.877 7.143 ( 3.672 -6.069 -8.345) 10.953 7.400 ( -4.149 -9.947 2.101) 10.980 7.820 ( -25.064 -0.057 2.440) 25.183 8.370 ( 2.223 6.417 -12.350) 14.094 9.225 ( 6.134 2.552 2.358) 7.050 9.426 ( 12.497 -1.158 -2.697) 12.837 9.582 ( 25.944 17.868 0.560) 31.506 10.003 ( -1.497 15.446 -2.208) 15.674 10.334 ( -0.731 10.847 3.128) 11.312 10.572 ( -7.420 4.608 -3.625) 9.457 11.196 ( -8.039 -10.716 -2.754) 13.676 11.465 ( -9.969 7.199 -5.878) 13.629 12.003 ( -5.623 7.772 0.904) 9.635 12.355 ( -11.747 -0.540 4.404) 12.557 12.549 ( 0.995 -3.693 14.223) 14.728 13.017 ( -12.798 0.922 4.180) 13.495 13.267 ( 2.697 1.460 2.193) 3.770 13.763 ( -30.405 0.045 0.783) 30.415 14.254 ( 5.875 9.206 -1.454) 11.017 14.604 ( -11.998 4.209 -3.711) 13.245 14.967 ( 5.874 14.940 2.371) 16.227 15.503 ( -2.986 -2.807 -0.809) 4.178 16.057 ( -7.543 10.450 -15.923) 20.485 16.199 ( 17.414 -27.115 -0.244) 32.226 16.670 ( 18.460 -2.415 1.727) 18.698 16.854 ( 7.615 -12.758 -2.247) 15.026 17.088 ( 0.848 14.441 4.366) 15.110 17.641 ( 2.176 -0.314 -13.605) 13.781 18.113 ( -6.686 -9.013 -12.951) 17.137 18.176 ( 2.562 -7.079 -0.119) 7.529 18.505 ( 0.366 -11.718 2.556) 11.999 20.376 ( 5.026 6.210 1.489) 8.127 20.852 ( 1.316 -5.684 16.272) 17.287 20.920 ( -7.856 2.126 6.004) 10.114 22.310 ( 7.797 -9.675 10.126) 16.030 23.342 ( 7.112 1.851 -10.761) 13.031 ======================= Grid point 270 (135/224) ======================= q-point: ( 0.00 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.982 ( -0.546 34.018 1.188) 34.043 4.172 ( 0.573 28.563 8.809) 29.896 5.403 ( -1.885 30.340 -13.118) 33.108 5.918 ( 2.411 8.539 -16.149) 18.427 6.442 ( 0.046 13.646 4.141) 14.261 6.860 ( 7.487 -9.783 -11.591) 16.915 6.947 ( -9.270 -15.962 -1.467) 18.517 7.448 ( -0.204 12.515 11.138) 16.755 7.532 ( -0.952 18.206 16.924) 24.876 8.669 ( 3.764 15.237 -3.545) 16.090 9.203 ( -3.138 -3.658 0.486) 4.844 9.489 ( 5.204 -6.884 -0.774) 8.664 10.205 ( -0.684 13.825 0.514) 13.852 10.511 ( -0.620 -2.718 -3.521) 4.491 10.557 ( -4.476 14.910 2.714) 15.802 10.665 ( 21.410 18.695 0.583) 28.430 10.981 ( -6.581 11.330 3.617) 13.592 11.404 ( -5.798 8.445 -8.019) 13.009 12.094 ( -10.549 4.090 3.404) 11.815 12.272 ( 10.089 3.052 -1.769) 10.688 12.541 ( 2.279 -7.238 12.994) 15.048 12.980 ( 9.429 -0.456 5.457) 10.904 13.190 ( -13.024 -2.293 -0.204) 13.226 13.267 ( -1.712 -10.227 1.844) 10.532 14.377 ( -8.229 0.071 -1.859) 8.437 14.496 ( 4.886 -3.270 -3.887) 7.048 15.082 ( -3.927 -8.840 2.945) 10.112 15.311 ( 3.874 -13.422 -0.079) 13.970 16.054 ( 0.059 -0.648 -17.895) 17.906 16.239 ( 10.069 1.948 0.115) 10.257 16.320 ( -10.917 0.689 -0.254) 10.942 17.112 ( -4.359 -7.546 -14.846) 17.215 17.458 ( 12.460 12.982 -1.756) 18.079 17.664 ( -6.193 -0.107 -7.953) 10.080 17.858 ( -8.863 17.971 -0.942) 20.059 18.066 ( -3.352 -0.972 4.284) 5.526 18.473 ( 9.874 -4.325 1.243) 10.851 20.552 ( -1.177 -4.843 6.313) 8.043 20.749 ( 0.159 2.155 1.770) 2.793 20.999 ( 3.134 2.022 15.798) 16.232 22.098 ( 0.458 -17.842 4.758) 18.471 23.379 ( 0.161 -3.478 -6.079) 7.005 ======================= Grid point 271 (136/224) ======================= q-point: ( 0.11 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.953 ( 0.595 28.477 3.943) 28.755 4.454 ( 18.536 25.415 6.336) 32.088 5.498 ( 12.837 28.451 -12.626) 33.670 5.994 ( 13.113 12.346 -12.246) 21.779 6.396 ( -5.806 6.070 1.868) 8.605 6.730 ( -6.359 -8.745 -10.011) 14.735 6.991 ( 4.994 -8.635 -0.649) 9.996 7.591 ( 3.608 31.475 23.158) 39.243 7.836 ( 30.659 -3.710 1.491) 30.918 8.692 ( 0.201 16.918 -3.522) 17.281 9.116 ( -5.863 -1.736 0.828) 6.171 9.561 ( 1.719 -5.555 -1.961) 6.137 10.039 ( -20.675 16.797 1.721) 26.693 10.341 ( -6.065 19.944 -0.065) 20.846 10.510 ( 1.873 0.524 -4.986) 5.352 10.905 ( 1.611 10.492 -2.418) 10.887 11.022 ( 9.760 7.597 1.458) 12.454 11.410 ( 0.793 4.946 -3.360) 6.032 12.013 ( 6.369 5.206 2.855) 8.707 12.470 ( 2.419 -4.049 4.404) 6.453 12.619 ( 7.700 -3.013 6.909) 10.775 13.146 ( 12.146 1.256 0.363) 12.216 13.279 ( 7.441 -4.162 5.747) 10.282 13.515 ( 29.203 -4.556 3.422) 29.754 14.186 ( -8.548 -0.356 -1.397) 8.669 14.564 ( 2.472 -5.801 -3.317) 7.125 15.010 ( -3.671 -9.631 2.759) 10.670 15.420 ( 5.814 -12.753 0.418) 14.022 15.912 ( -10.126 -2.674 -7.573) 12.924 16.163 ( -2.738 11.033 -9.405) 14.754 16.355 ( -0.565 -1.708 0.849) 1.989 16.950 ( -12.249 2.692 -2.603) 12.808 17.180 ( -15.021 -7.439 -14.866) 22.405 17.665 ( -3.491 17.959 0.178) 18.296 17.812 ( 0.854 4.054 2.363) 4.769 18.040 ( 1.015 1.540 -0.901) 2.052 18.600 ( 2.398 -4.106 -0.548) 4.787 20.438 ( -3.959 0.496 2.156) 4.535 20.813 ( -10.528 -4.905 17.814) 21.265 21.189 ( 16.850 2.752 -0.076) 17.074 22.078 ( -3.950 -17.496 3.912) 18.358 23.294 ( -5.919 -2.057 -6.376) 8.940 ======================= Grid point 272 (137/224) ======================= q-point: ( 0.22 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.067 ( 9.093 20.552 3.869) 22.804 4.866 ( 19.968 19.993 5.659) 28.818 5.617 ( 2.389 17.455 -12.199) 21.429 6.091 ( -9.118 -0.672 -1.149) 9.214 6.491 ( 13.493 23.141 5.374) 27.321 6.648 ( 6.644 -3.159 -13.230) 15.138 7.061 ( 2.074 -1.800 0.132) 2.749 7.833 ( 14.942 26.954 11.937) 33.049 8.545 ( 16.739 1.980 0.586) 16.866 8.740 ( 20.978 7.393 -5.247) 22.853 9.006 ( -2.722 3.746 4.421) 6.402 9.392 ( -14.874 7.945 -2.737) 17.084 9.766 ( -0.013 10.170 -0.559) 10.185 10.289 ( -1.963 17.449 -0.654) 17.571 10.550 ( 3.720 5.047 -4.333) 7.621 10.931 ( 3.217 10.677 -3.738) 11.761 11.229 ( 10.682 0.637 -3.535) 11.269 11.308 ( -5.472 -3.043 0.627) 6.293 12.215 ( 0.195 -4.319 7.150) 8.356 12.513 ( 9.438 -1.847 6.311) 11.503 12.920 ( 17.023 -2.048 -1.148) 17.184 13.331 ( 6.402 6.508 -0.605) 9.149 13.678 ( 24.604 3.243 6.492) 25.652 13.990 ( -0.692 -2.900 2.151) 3.676 14.185 ( 19.323 -7.913 2.554) 21.036 14.662 ( 13.594 -2.262 0.216) 13.783 14.932 ( -4.463 -13.932 -0.324) 14.633 15.525 ( -18.339 11.095 0.013) 21.434 15.556 ( -0.352 -16.189 -0.523) 16.201 16.048 ( -20.417 7.459 2.777) 21.914 16.139 ( -8.543 6.222 -7.939) 13.219 16.668 ( -5.247 2.817 -6.267) 8.645 17.102 ( 7.421 -10.529 -6.742) 14.539 17.516 ( -10.124 22.002 1.575) 24.271 17.773 ( -8.044 -0.167 2.112) 8.318 18.113 ( 7.899 -4.808 -4.008) 10.078 18.576 ( -3.665 -5.305 -1.874) 6.715 20.365 ( -18.669 -9.066 12.206) 24.077 20.577 ( -4.463 5.618 5.051) 8.775 21.544 ( 15.161 -0.997 -1.225) 15.243 22.006 ( -2.264 -12.911 0.557) 13.120 23.107 ( -9.597 -0.666 -6.451) 11.583 ======================= Grid point 273 (138/224) ======================= q-point: ( 0.33 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.332 ( 15.571 10.639 2.325) 19.001 5.306 ( 20.821 16.574 7.565) 27.667 5.455 ( -14.120 1.611 -3.105) 14.547 5.945 ( -3.885 12.532 -2.723) 13.400 6.494 ( -1.262 2.502 -11.958) 12.282 6.878 ( 5.214 23.779 6.661) 25.239 7.078 ( -0.765 6.332 2.982) 7.040 8.175 ( 10.686 15.573 -8.031) 20.523 8.538 ( -5.959 11.546 5.316) 14.039 8.681 ( -13.703 7.810 -1.227) 15.820 9.278 ( 22.485 9.075 -1.007) 24.269 9.706 ( 18.470 6.231 -2.732) 19.684 9.945 ( 28.151 -1.035 -0.243) 28.171 10.241 ( -0.098 16.337 -1.416) 16.398 10.593 ( 1.506 3.231 -3.194) 4.786 11.045 ( 10.233 14.758 -1.167) 17.996 11.195 ( -1.513 -4.843 -1.979) 5.446 11.511 ( 15.126 -0.530 -0.106) 15.136 12.111 ( -9.499 -11.659 7.659) 16.877 12.776 ( 12.259 -1.689 1.975) 12.532 13.246 ( 13.512 -4.477 -3.640) 14.692 13.362 ( -7.203 12.261 -0.308) 14.224 13.790 ( -13.281 6.129 3.314) 14.998 14.112 ( 12.067 2.060 1.214) 12.302 14.492 ( 5.207 -21.851 3.187) 22.688 14.798 ( -6.088 -17.381 -1.534) 18.480 14.974 ( -9.269 -4.883 2.416) 10.752 15.156 ( 0.504 14.562 0.686) 14.587 15.563 ( -0.546 11.952 0.548) 11.977 15.795 ( 12.474 7.313 5.238) 15.379 16.003 ( -4.079 2.280 -0.541) 4.705 16.702 ( 5.613 1.478 -6.967) 9.068 17.254 ( 2.953 -0.558 -1.665) 3.435 17.329 ( -3.520 7.741 2.692) 8.920 17.534 ( -14.849 -0.239 3.491) 15.256 18.283 ( 9.394 -6.368 -4.538) 12.222 18.478 ( -3.725 -7.436 -3.432) 8.997 19.763 ( -39.794 -11.099 11.292) 42.829 20.703 ( 9.471 5.503 0.441) 10.963 21.648 ( -4.064 -3.833 1.999) 5.934 22.103 ( 11.732 -6.723 -5.385) 14.554 22.884 ( -9.429 -0.006 -5.877) 11.111 ======================= Grid point 274 (139/224) ======================= q-point: ( 0.44 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.684 ( 18.556 1.704 0.453) 18.640 5.070 ( -19.768 -0.023 -2.120) 19.881 5.760 ( -6.969 16.493 11.299) 21.172 5.830 ( 15.331 20.426 6.077) 26.253 6.495 ( 8.664 -2.198 -19.051) 21.044 6.895 ( -2.774 18.729 0.148) 18.934 7.050 ( -4.797 19.998 8.646) 22.309 8.095 ( -8.410 6.691 -15.376) 18.759 8.405 ( -4.188 15.530 6.711) 17.429 8.633 ( 2.794 9.288 1.973) 9.898 9.770 ( 8.997 2.456 -1.370) 9.426 9.831 ( 12.980 9.142 -4.130) 16.405 10.141 ( 1.073 14.020 -4.789) 14.854 10.398 ( -5.911 -0.621 -5.510) 8.105 10.759 ( 14.197 -4.882 2.252) 15.181 11.233 ( 6.867 -5.789 2.509) 9.326 11.330 ( 13.105 12.953 3.336) 18.726 11.851 ( 10.472 10.038 2.056) 14.651 11.975 ( 3.314 -7.792 1.470) 8.594 12.827 ( -33.323 16.310 1.948) 37.152 13.098 ( 15.760 2.717 -2.902) 16.254 13.339 ( -0.953 -9.095 -4.415) 10.154 13.674 ( -4.894 -6.329 -0.418) 8.011 14.157 ( -19.981 -10.578 2.982) 22.804 14.250 ( -2.271 -18.710 1.618) 18.917 14.773 ( 1.092 2.078 0.667) 2.441 14.866 ( 7.394 -6.258 -1.102) 9.749 15.155 ( -5.330 18.510 2.570) 19.433 15.828 ( 11.629 11.315 1.167) 16.267 16.081 ( 7.513 9.423 3.870) 12.658 16.182 ( 19.998 10.481 1.226) 22.611 16.648 ( -6.970 6.213 -2.606) 9.694 17.183 ( -7.502 -8.483 7.501) 13.583 17.359 ( 4.721 4.247 3.812) 7.406 17.451 ( 6.083 -2.732 -0.396) 6.680 18.347 ( -2.315 -6.712 -2.807) 7.635 18.515 ( 9.844 -8.547 -3.040) 13.387 18.974 ( -39.575 -14.265 4.086) 42.265 20.876 ( 6.320 2.709 0.412) 6.888 21.539 ( -5.273 -1.010 2.243) 5.819 22.261 ( 3.077 -4.406 -7.320) 9.081 22.741 ( -0.457 -1.554 -4.992) 5.249 ======================= Grid point 275 (140/224) ======================= q-point: (-0.44 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.670 ( -18.511 6.960 -3.095) 20.017 5.065 ( 18.508 -3.057 -0.009) 18.759 5.431 ( -19.797 24.626 8.695) 32.771 6.266 ( 11.990 11.520 12.555) 20.835 6.652 ( 13.141 1.491 -15.063) 20.046 6.846 ( 1.425 10.703 -7.233) 12.996 6.957 ( -6.921 25.858 9.182) 28.299 7.926 ( -1.077 5.923 -13.894) 15.142 8.400 ( 0.446 13.179 5.117) 14.145 8.720 ( 4.673 8.534 1.931) 9.919 9.705 ( -7.143 13.127 -2.192) 15.105 9.841 ( -24.308 3.091 -3.011) 24.688 10.177 ( 3.231 14.456 -4.375) 15.445 10.267 ( 3.650 -2.571 -0.820) 4.540 10.697 ( -18.744 0.430 -2.616) 18.931 11.343 ( -9.659 0.620 -0.380) 9.686 11.452 ( 0.162 -1.583 9.618) 9.749 11.742 ( -2.571 -2.837 4.019) 5.550 11.943 ( -19.034 4.570 -2.936) 19.793 12.877 ( 33.829 16.293 1.238) 37.568 13.003 ( -14.503 3.231 -2.068) 15.002 13.329 ( -5.628 -8.158 -4.113) 10.730 13.580 ( 0.602 -6.679 0.373) 6.717 14.249 ( 20.995 -14.332 2.420) 25.535 14.286 ( 6.317 -15.536 1.188) 16.813 14.718 ( -6.814 8.800 0.709) 11.152 14.850 ( -2.308 -11.981 -0.127) 12.202 15.284 ( 12.013 18.394 0.423) 21.974 15.795 ( -15.768 12.439 3.848) 20.449 15.988 ( -8.516 10.579 1.851) 13.707 16.461 ( -8.639 10.214 -0.406) 13.383 16.711 ( 22.155 7.651 -5.747) 24.133 17.090 ( -5.321 3.957 7.641) 10.117 17.543 ( 7.296 -3.162 8.188) 11.414 17.637 ( 12.154 -0.026 -4.312) 12.896 18.170 ( -17.185 -13.229 4.346) 22.118 18.427 ( -8.966 -17.165 -8.852) 21.293 18.809 ( 20.528 -9.092 6.072) 23.258 20.905 ( -3.975 1.996 0.243) 4.455 21.519 ( 2.641 0.048 2.322) 3.517 22.144 ( -9.706 -1.354 -5.788) 11.382 22.834 ( 9.700 -4.806 -6.176) 12.464 ======================= Grid point 276 (141/224) ======================= q-point: (-0.33 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.315 ( -15.136 18.051 -3.655) 23.839 5.045 ( -18.626 24.280 10.725) 32.427 5.471 ( 18.293 -3.108 -2.789) 18.763 6.299 ( -6.738 10.807 0.392) 12.741 6.715 ( -9.561 29.886 8.029) 32.389 6.883 ( 7.751 -3.717 -16.410) 18.525 7.060 ( 11.289 3.512 4.849) 12.779 7.897 ( -1.399 10.662 -8.786) 13.886 8.419 ( -2.288 10.707 1.267) 11.022 8.825 ( 6.137 7.931 -0.927) 10.071 9.128 ( -33.414 10.972 4.765) 35.491 9.597 ( -5.475 12.770 -2.227) 14.072 9.933 ( -34.832 2.093 -1.358) 34.922 10.303 ( 1.387 9.619 -2.583) 10.055 10.412 ( 2.302 4.162 1.026) 4.865 11.004 ( -15.356 7.352 -3.307) 17.343 11.398 ( -7.505 -3.576 4.220) 9.323 11.653 ( -7.039 -5.624 -6.665) 11.207 11.891 ( 9.160 -5.480 9.758) 14.463 12.711 ( -10.625 -4.359 1.434) 11.573 13.104 ( -15.282 -3.839 -2.555) 15.963 13.342 ( -1.197 6.144 0.115) 6.260 13.767 ( 17.967 15.831 3.091) 24.145 14.160 ( -11.754 5.358 0.865) 12.947 14.550 ( -2.588 -22.990 2.274) 23.246 14.728 ( 7.835 -20.308 -0.931) 21.787 15.090 ( 13.555 0.523 3.581) 14.030 15.306 ( -0.109 7.475 -0.471) 7.490 15.560 ( -7.464 5.443 -1.983) 9.449 15.990 ( 3.865 3.390 -0.693) 5.187 16.165 ( -4.662 25.766 4.556) 26.578 16.807 ( -10.303 1.528 -6.759) 12.417 17.229 ( 15.347 18.283 1.118) 23.896 17.684 ( 2.026 1.847 -7.542) 8.025 17.791 ( 8.153 -6.813 -1.359) 10.711 17.990 ( -1.793 -18.033 5.709) 19.000 18.308 ( -2.171 -14.291 -9.334) 17.207 19.383 ( 29.448 -8.826 18.899) 36.087 20.763 ( -8.729 4.483 0.080) 9.813 21.597 ( 0.533 -1.255 1.962) 2.389 21.914 ( -8.376 -2.086 -3.280) 9.234 23.019 ( 10.852 -5.427 -6.816) 13.917 ======================= Grid point 277 (142/224) ======================= q-point: (-0.22 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.055 ( -9.192 28.007 -2.266) 29.564 4.721 ( -18.098 25.579 8.645) 32.504 5.754 ( 8.750 7.229 -8.954) 14.457 6.178 ( -2.293 4.875 -0.228) 5.392 6.471 ( -17.667 26.278 6.132) 32.253 6.926 ( 0.436 -8.524 -16.763) 18.811 7.137 ( -4.427 -1.633 -0.882) 4.800 7.654 ( -15.361 27.420 10.477) 33.130 8.412 ( 4.615 4.433 -5.769) 8.616 8.504 ( -37.414 3.577 4.900) 37.902 9.034 ( 13.298 3.691 1.858) 13.925 9.396 ( -6.377 1.948 -2.169) 7.012 9.626 ( 6.643 18.177 0.155) 19.354 10.329 ( 0.872 12.585 -0.893) 12.647 10.483 ( 2.801 8.902 3.990) 10.150 10.747 ( -9.209 1.362 -5.267) 10.696 11.232 ( -8.443 0.404 -0.164) 8.454 11.598 ( 2.745 -3.765 -5.332) 7.081 12.115 ( 8.228 -6.644 11.439) 15.579 12.461 ( -16.884 2.365 2.235) 17.194 12.749 ( -16.632 -1.667 0.468) 16.722 13.276 ( -3.075 0.933 0.917) 3.341 13.577 ( -27.105 12.301 3.274) 29.946 14.188 ( -5.959 -1.858 1.935) 6.535 14.303 ( -7.171 -9.314 0.659) 11.773 14.872 ( 2.178 -13.367 -0.496) 13.552 15.006 ( -21.590 -4.129 -0.406) 21.985 15.424 ( 1.226 3.066 1.195) 3.512 15.477 ( 19.033 -4.572 -0.642) 19.585 16.274 ( 22.346 9.803 0.871) 24.417 16.418 ( 3.582 8.941 -7.431) 12.165 16.570 ( 4.682 4.882 -5.070) 8.454 17.433 ( 1.086 18.990 0.295) 19.024 17.624 ( 3.664 -2.989 -20.682) 21.216 17.929 ( 4.148 -6.271 2.685) 7.984 18.041 ( 3.899 -7.904 0.725) 8.843 18.273 ( 0.708 -10.661 -2.025) 10.875 20.021 ( 22.780 -8.760 23.746) 34.052 20.626 ( -2.898 5.944 1.599) 6.804 21.408 ( -16.799 1.800 -0.483) 16.902 21.910 ( 5.307 -8.749 1.348) 10.321 23.201 ( 9.699 -5.014 -6.527) 12.721 ======================= Grid point 278 (143/224) ======================= q-point: (-0.11 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.947 ( -1.005 33.288 0.442) 33.306 4.382 ( -18.109 28.203 6.813) 34.202 5.654 ( -12.541 25.973 -12.926) 31.606 6.022 ( -9.947 11.064 -8.533) 17.152 6.357 ( 5.543 4.999 5.387) 9.205 6.811 ( 0.166 -5.109 -14.165) 15.059 7.086 ( -2.337 -6.281 -1.298) 6.827 7.506 ( -8.718 30.602 21.892) 38.623 7.762 ( -28.381 -5.107 0.591) 28.843 8.567 ( 7.674 11.243 -3.208) 13.986 9.222 ( 2.242 -2.335 3.112) 4.490 9.382 ( 4.516 -2.748 -2.435) 5.821 9.984 ( 24.112 20.048 0.370) 31.360 10.339 ( 1.983 15.155 0.995) 15.316 10.542 ( 0.043 7.357 3.753) 8.259 10.598 ( -2.170 1.521 -4.732) 5.424 11.092 ( -5.535 4.803 -0.026) 7.328 11.616 ( -3.923 5.332 -5.474) 8.590 12.154 ( -5.980 7.169 0.077) 9.336 12.279 ( -1.400 -7.208 9.500) 12.007 12.496 ( -7.264 -1.157 5.857) 9.402 13.071 ( -19.776 4.378 4.054) 20.656 13.244 ( -0.882 -4.543 0.930) 4.720 13.713 ( -30.105 -4.236 1.813) 30.455 14.364 ( 4.870 1.971 -1.166) 5.381 14.608 ( -11.216 -6.498 -4.796) 13.821 15.034 ( 6.528 -11.718 3.395) 13.836 15.338 ( -4.865 -12.407 0.482) 13.336 15.936 ( 19.596 5.309 -0.867) 20.320 16.177 ( -7.713 1.734 -12.539) 14.823 16.513 ( -2.915 -0.695 -4.018) 5.013 16.989 ( 26.677 12.212 -1.061) 29.359 17.306 ( -6.254 -0.584 -14.415) 15.724 17.689 ( 4.887 9.594 -8.453) 13.688 18.053 ( 5.074 -1.617 2.165) 5.749 18.070 ( -3.066 1.887 -4.960) 6.128 18.286 ( 2.669 -6.886 5.698) 9.327 20.379 ( 8.169 -5.140 11.265) 14.835 20.756 ( 9.719 1.117 14.581) 17.559 21.043 ( -17.735 3.516 0.322) 18.083 22.028 ( 4.548 -14.038 3.452) 15.155 23.338 ( 6.104 -4.392 -6.088) 9.676 ======================= Grid point 279 (144/224) ======================= q-point: ( 0.00 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.704 ( -5.678 35.214 -9.720) 36.969 4.732 ( 5.752 27.404 3.118) 28.174 5.911 ( -2.077 13.380 -9.039) 16.280 6.043 ( 2.703 2.939 -15.921) 16.414 6.545 ( 6.435 -1.286 1.375) 6.705 6.592 ( -1.723 -7.297 -1.074) 7.574 6.699 ( -5.765 -10.611 -6.718) 13.819 7.338 ( 1.032 -8.975 -0.010) 9.034 8.181 ( -1.930 26.364 19.990) 33.142 8.891 ( 3.976 2.999 4.254) 6.550 9.148 ( -3.031 -0.263 3.105) 4.347 9.344 ( 3.807 -6.814 -1.197) 7.896 10.432 ( 2.539 12.387 1.962) 12.796 10.586 ( -2.336 11.694 -0.135) 11.925 10.782 ( -0.026 6.971 5.419) 8.830 11.038 ( 15.863 14.410 -1.340) 21.473 11.300 ( -4.510 16.870 4.780) 18.105 11.598 ( -7.231 9.943 -6.497) 13.905 12.105 ( -3.177 -3.780 4.754) 6.855 12.343 ( 7.864 2.647 -1.429) 8.420 12.449 ( 0.028 0.870 6.439) 6.498 12.944 ( 1.955 -12.610 4.389) 13.494 13.002 ( 2.962 -3.874 0.830) 4.947 13.153 ( -13.677 -1.599 0.533) 13.780 14.174 ( -4.402 -17.445 -3.037) 18.246 14.396 ( 0.653 -10.088 -1.277) 10.190 14.812 ( -0.169 -10.232 3.050) 10.678 15.052 ( 0.997 -9.926 0.409) 9.984 16.043 ( -1.608 1.810 -16.825) 16.998 16.394 ( -2.116 6.879 -1.406) 7.333 16.458 ( 2.298 10.012 -1.611) 10.398 16.878 ( -0.104 -11.911 -20.056) 23.326 17.575 ( 5.923 -1.899 -1.807) 6.477 17.664 ( -14.429 -1.340 -3.295) 14.861 18.159 ( 6.424 12.797 -0.313) 14.323 18.273 ( -2.126 12.283 0.920) 12.500 18.605 ( 4.672 21.797 6.739) 23.288 20.329 ( 0.906 -17.141 11.205) 20.498 20.753 ( -3.213 -1.331 0.810) 3.570 21.001 ( 3.947 -5.743 9.091) 11.454 21.936 ( 0.171 6.321 0.306) 6.331 23.191 ( 0.196 -14.849 -1.514) 14.927 ======================= Grid point 280 (145/224) ======================= q-point: ( 0.11 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.550 ( -4.048 29.138 -3.974) 29.685 4.987 ( 15.216 27.035 -1.240) 31.048 5.894 ( 1.092 7.644 -9.506) 12.247 6.081 ( 0.548 -9.399 -11.434) 14.812 6.517 ( 7.799 8.135 -3.158) 11.704 6.613 ( 5.423 4.548 -3.312) 7.814 6.826 ( 10.537 -7.609 0.511) 13.007 7.661 ( 30.016 -9.467 0.392) 31.476 8.215 ( -1.207 22.896 15.320) 27.575 8.927 ( -1.984 2.035 3.534) 4.535 9.089 ( -3.511 1.483 2.212) 4.407 9.432 ( 4.303 -6.537 -1.122) 7.906 10.392 ( -13.079 17.814 4.578) 22.569 10.593 ( 4.251 11.038 -2.721) 12.138 10.720 ( -4.912 15.845 2.018) 16.711 11.140 ( -3.280 9.370 -0.494) 9.939 11.199 ( 2.600 7.389 -0.803) 7.874 11.509 ( -8.248 6.926 -2.736) 11.112 12.107 ( 3.184 1.116 2.597) 4.258 12.323 ( -3.776 -7.989 5.632) 10.479 12.624 ( 12.726 2.983 0.922) 13.104 13.066 ( 11.122 -13.983 4.280) 18.372 13.209 ( 21.842 5.307 1.658) 22.538 13.461 ( 27.656 -1.161 3.534) 27.905 14.045 ( -6.419 -13.390 -1.142) 14.893 14.366 ( -1.267 -13.769 -1.562) 13.915 14.780 ( -3.734 -7.729 0.957) 8.637 15.090 ( 2.063 -15.677 0.167) 15.813 15.980 ( 0.754 5.792 -10.163) 11.722 16.387 ( -2.876 2.708 -2.164) 4.504 16.436 ( 1.003 12.311 -3.272) 12.778 16.874 ( 3.031 -5.100 -17.216) 18.210 17.199 ( -27.874 5.042 -2.304) 28.420 17.576 ( -1.795 -11.720 1.038) 11.902 18.162 ( -6.088 15.402 -0.207) 16.563 18.235 ( -1.954 11.436 -0.587) 11.617 18.665 ( -1.779 14.861 3.959) 15.482 20.313 ( -5.465 -14.768 9.704) 18.496 20.738 ( -3.319 -1.869 6.942) 7.918 21.189 ( 13.855 -5.177 1.033) 14.826 21.914 ( -2.397 5.720 0.135) 6.203 23.129 ( -5.581 -13.960 -1.859) 15.148 ======================= Grid point 281 (146/224) ======================= q-point: ( 0.22 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.506 ( 0.945 21.984 -2.427) 22.138 5.300 ( 16.321 21.823 0.337) 27.253 5.716 ( -16.165 -9.108 -1.412) 18.608 6.056 ( 6.688 1.123 -16.251) 17.609 6.565 ( 0.405 -0.296 -4.072) 4.102 6.989 ( 7.546 -5.682 0.180) 9.448 7.122 ( 30.781 31.361 3.948) 44.120 8.258 ( 8.275 13.894 8.458) 18.250 8.459 ( 36.573 -6.867 -3.098) 37.340 8.868 ( -2.580 -0.013 0.782) 2.696 9.051 ( 1.318 3.395 4.474) 5.769 9.436 ( -4.706 -2.732 -2.180) 5.862 10.080 ( -10.591 18.660 0.786) 21.470 10.656 ( -0.751 12.875 1.391) 12.972 10.711 ( 2.935 16.524 -1.252) 16.829 11.162 ( 1.234 0.270 -4.230) 4.414 11.197 ( -4.237 -4.135 1.754) 6.175 11.349 ( 4.045 16.851 -3.835) 17.750 12.032 ( -9.801 -12.302 5.328) 16.607 12.453 ( 9.839 -6.618 3.492) 12.361 12.947 ( 18.822 5.715 -1.086) 19.701 13.344 ( 11.329 -4.101 1.553) 12.148 13.808 ( 24.646 4.154 5.334) 25.556 13.816 ( 10.988 -7.061 2.069) 13.224 13.988 ( 0.090 -10.817 1.002) 10.863 14.547 ( 22.601 -8.870 1.478) 24.324 14.689 ( -4.043 -5.703 -0.982) 7.060 15.142 ( 3.625 -20.640 -0.217) 20.957 15.883 ( -13.426 17.796 0.044) 22.293 16.247 ( -11.544 8.280 2.050) 14.354 16.303 ( -12.669 10.045 -7.246) 17.718 16.751 ( -9.486 3.521 -8.136) 12.984 16.900 ( 7.886 -6.853 -4.065) 11.211 17.565 ( -2.216 -13.740 -0.654) 13.933 18.013 ( -8.558 18.575 0.459) 20.457 18.156 ( -2.446 5.126 -2.756) 6.313 18.560 ( -9.059 7.675 1.072) 11.921 20.100 ( -23.199 -18.676 12.736) 32.391 20.738 ( 4.221 9.719 1.766) 10.742 21.511 ( 16.136 -4.825 -1.617) 16.919 21.853 ( -2.796 2.632 -0.441) 3.865 22.966 ( -9.323 -12.867 -2.434) 16.074 ======================= Grid point 282 (147/224) ======================= q-point: ( 0.33 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.567 ( 5.868 12.274 -1.234) 13.660 5.351 ( -18.021 -9.808 -0.002) 20.517 5.660 ( 18.279 17.295 3.662) 25.429 6.176 ( 10.815 6.759 -14.902) 19.614 6.521 ( -3.566 4.954 -4.214) 7.417 7.080 ( 2.493 -1.095 -0.727) 2.818 7.559 ( 6.865 32.276 10.755) 34.706 8.420 ( 0.452 8.458 -3.287) 9.086 8.726 ( 2.410 7.017 1.563) 7.582 8.809 ( -7.008 3.764 1.298) 8.060 9.344 ( 11.297 -0.347 -3.142) 11.731 9.691 ( 44.552 -7.412 0.850) 45.172 10.051 ( 4.718 11.774 -1.062) 12.728 10.599 ( -5.376 15.757 -0.588) 16.659 10.695 ( -4.501 8.254 -2.132) 9.640 11.029 ( -2.519 -8.556 -3.170) 9.466 11.286 ( 4.904 -1.968 -0.735) 5.335 11.636 ( 23.436 17.009 0.067) 28.958 11.845 ( -9.735 -12.056 5.650) 16.494 12.674 ( 12.185 -8.059 0.875) 14.635 13.217 ( 5.331 2.181 -5.440) 7.922 13.468 ( 3.662 0.017 0.111) 3.663 13.811 ( -6.191 -7.339 2.802) 10.002 13.992 ( 1.290 -18.336 1.833) 18.473 14.276 ( -6.034 10.554 3.087) 12.543 14.620 ( 6.584 -0.490 -1.880) 6.865 14.898 ( -2.691 -4.147 3.435) 6.020 15.256 ( 12.802 -11.106 1.628) 17.026 15.713 ( 8.207 14.429 0.965) 16.628 15.992 ( -3.052 10.272 0.862) 10.750 16.172 ( -0.550 9.454 5.628) 11.017 16.712 ( 3.180 -1.769 -6.859) 7.765 17.077 ( 6.859 -7.444 2.221) 10.363 17.411 ( -9.896 -6.641 -0.787) 11.943 17.800 ( -13.539 22.892 1.295) 26.627 18.198 ( 7.088 -2.117 -4.256) 8.534 18.367 ( -8.020 -1.812 -3.589) 8.971 19.516 ( -37.829 -15.550 9.271) 41.938 20.884 ( 8.272 12.590 0.125) 15.065 21.672 ( -1.683 6.996 0.329) 7.203 21.913 ( 10.970 -11.250 -3.476) 16.093 22.760 ( -9.588 -11.841 -2.810) 15.493 ======================= Grid point 283 (148/224) ======================= q-point: ( 0.44 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.728 ( 10.529 2.760 -0.484) 10.896 5.015 ( -14.867 -4.693 -0.576) 15.601 6.031 ( 12.348 12.080 7.607) 18.875 6.312 ( 1.852 23.048 -1.869) 23.198 6.445 ( 7.469 -2.302 -15.638) 17.483 7.082 ( -1.888 2.121 -3.680) 4.648 7.593 ( -4.296 27.787 8.766) 29.452 8.243 ( -10.871 6.577 -1.894) 12.846 8.657 ( -5.310 9.402 4.181) 11.580 8.801 ( 1.537 6.138 -0.632) 6.359 9.726 ( 20.871 -0.031 -1.266) 20.909 10.120 ( 2.759 13.828 -4.012) 14.661 10.387 ( -6.742 5.533 -3.370) 9.350 10.439 ( 6.522 4.302 -1.342) 7.928 10.656 ( 10.382 0.584 0.721) 10.424 11.059 ( 4.759 -10.221 -3.252) 11.734 11.335 ( 0.191 -10.833 1.359) 10.920 11.648 ( -8.547 -15.229 2.952) 17.711 12.299 ( 36.156 21.180 1.619) 41.934 12.890 ( -1.923 -4.823 -0.911) 5.272 13.181 ( 0.055 -0.567 -3.869) 3.910 13.411 ( -12.273 12.978 -2.726) 18.069 13.601 ( -13.012 1.338 0.308) 13.084 13.874 ( -8.401 -14.845 1.908) 17.164 13.912 ( -10.137 -9.790 1.541) 14.176 14.607 ( -8.033 -9.218 0.908) 12.260 15.021 ( 17.452 9.971 -0.019) 20.100 15.504 ( -2.049 11.012 2.827) 11.553 15.913 ( 6.183 -2.052 0.317) 6.522 16.190 ( 27.804 12.093 1.757) 30.371 16.453 ( 8.193 2.757 4.581) 9.784 16.676 ( -1.482 -0.902 5.663) 5.923 17.100 ( -3.472 1.329 5.733) 6.833 17.348 ( 2.263 -3.504 3.885) 5.700 17.570 ( -3.873 12.619 -3.506) 13.658 18.221 ( -3.951 -4.616 -4.072) 7.315 18.371 ( 10.180 -6.070 -4.394) 12.640 18.729 ( -41.396 -12.097 2.636) 43.208 21.021 ( 4.483 11.974 -0.180) 12.787 21.607 ( -2.887 8.592 0.689) 9.091 22.083 ( 4.693 -12.734 -4.314) 14.240 22.603 ( -3.273 -11.724 -2.864) 12.505 ======================= Grid point 284 (149/224) ======================= q-point: (-0.44 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.765 ( -9.401 3.128 -1.502) 10.021 4.983 ( 14.705 -4.522 0.037) 15.385 5.945 ( -15.195 24.108 -0.347) 28.499 6.457 ( 8.424 6.577 4.168) 11.472 6.700 ( 18.118 3.604 -9.355) 20.706 6.956 ( -7.207 0.598 -11.845) 13.879 7.531 ( -4.917 27.707 10.448) 30.017 8.099 ( -2.565 9.157 0.866) 9.549 8.605 ( -1.492 7.164 2.343) 7.683 8.835 ( 2.053 2.050 0.876) 3.031 9.851 ( -20.286 4.637 -1.676) 20.877 10.023 ( -6.015 11.740 -0.050) 13.191 10.238 ( 7.290 3.436 -4.650) 9.304 10.487 ( -2.398 12.587 -0.837) 12.841 10.648 ( -16.820 -3.689 -2.564) 17.409 11.186 ( 6.587 -11.209 1.926) 13.143 11.341 ( -0.903 -12.788 -3.953) 13.415 11.574 ( 2.303 -10.890 3.858) 11.781 12.212 ( -37.897 17.337 2.857) 41.772 12.807 ( -9.568 -7.827 -0.935) 12.397 13.188 ( -0.208 0.722 -4.017) 4.087 13.411 ( 5.787 4.516 -2.134) 7.645 13.570 ( 21.137 13.585 0.787) 25.138 13.921 ( 9.974 -9.865 0.353) 14.033 13.955 ( 11.894 -16.584 2.261) 20.533 14.659 ( 12.537 -7.849 0.420) 14.797 14.954 ( -19.649 10.981 1.015) 22.532 15.548 ( -3.795 2.932 1.664) 5.077 15.878 ( -0.841 2.671 -0.094) 2.802 16.313 ( -18.582 18.918 4.370) 26.875 16.595 ( 2.237 -0.393 1.017) 2.489 16.867 ( 20.381 10.581 0.527) 22.970 17.177 ( 7.534 3.605 6.165) 10.381 17.455 ( 3.957 -5.795 12.183) 14.059 17.651 ( 8.151 -0.907 -8.550) 11.848 17.949 ( -25.767 -6.687 2.138) 26.707 18.180 ( -3.417 -6.506 -10.061) 12.459 18.652 ( 20.326 -7.924 3.683) 22.125 21.034 ( -3.152 11.181 -0.264) 11.620 21.598 ( 1.729 8.706 0.820) 8.914 22.020 ( -8.095 -10.517 -3.604) 13.752 22.643 ( 7.272 -13.759 -3.332) 15.915 ======================= Grid point 285 (150/224) ======================= q-point: (-0.33 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.625 ( -3.766 12.959 -3.131) 13.854 5.305 ( 16.155 -7.372 0.955) 17.783 5.625 ( -14.237 26.184 -2.427) 29.903 6.512 ( -6.068 10.075 -1.165) 11.819 6.763 ( -0.817 -8.331 -18.844) 20.619 6.983 ( 8.784 -0.716 -1.172) 8.891 7.457 ( -9.814 30.203 13.390) 34.465 8.119 ( 1.643 10.071 3.468) 10.777 8.573 ( -4.659 4.230 -0.363) 6.304 8.876 ( 0.299 -3.252 1.064) 3.434 9.279 ( -27.576 6.082 0.259) 28.240 9.796 ( -26.905 0.713 -0.895) 26.929 10.009 ( -14.526 11.304 -2.137) 18.530 10.420 ( 8.253 4.668 0.291) 9.486 10.616 ( 3.221 11.939 0.776) 12.390 11.200 ( -10.596 4.815 -4.997) 12.666 11.251 ( 0.134 -10.172 0.793) 10.204 11.637 ( -16.005 8.747 0.064) 18.239 11.738 ( 8.757 -9.004 5.656) 13.774 12.547 ( -10.855 -10.534 1.638) 15.214 13.108 ( -7.200 3.858 -4.522) 9.336 13.373 ( -6.286 -0.981 0.782) 6.410 13.905 ( 9.695 -8.577 1.577) 13.041 14.076 ( -1.794 -18.657 1.612) 18.812 14.343 ( 1.819 15.028 1.539) 15.216 14.547 ( 1.234 1.826 -0.930) 2.392 15.066 ( 12.079 -2.660 2.243) 12.570 15.194 ( -17.444 -15.611 1.973) 23.493 15.819 ( -11.444 17.788 -0.911) 21.171 16.210 ( 11.213 14.905 0.206) 18.653 16.528 ( -4.165 9.567 3.446) 10.989 16.873 ( -9.568 5.712 -6.730) 13.018 17.480 ( 7.607 -6.269 -7.667) 12.488 17.560 ( 3.297 -17.435 6.359) 18.849 17.725 ( 11.965 10.136 0.200) 15.682 17.796 ( 4.279 2.080 -4.619) 6.631 18.133 ( 1.665 -0.224 -3.905) 4.251 19.211 ( 29.015 -10.627 14.946) 34.325 20.916 ( -7.671 10.908 -0.080) 13.335 21.630 ( -2.841 4.438 0.450) 5.288 21.821 ( -6.541 -5.226 -2.175) 8.651 22.808 ( 9.829 -14.999 -3.212) 18.218 ======================= Grid point 286 (151/224) ======================= q-point: (-0.22 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.578 ( 0.373 23.145 -4.537) 23.588 5.282 ( -13.770 28.352 -1.661) 31.563 5.704 ( 17.343 -9.387 -1.398) 19.770 6.291 ( -9.430 6.177 -10.839) 15.639 6.721 ( 0.474 -8.710 -12.574) 15.303 7.039 ( -3.335 -7.114 -0.571) 7.878 7.096 ( -30.015 29.031 5.021) 42.058 8.088 ( -9.028 12.665 13.344) 20.493 8.335 ( -24.673 -4.624 -5.681) 25.738 8.662 ( -7.751 3.780 6.992) 11.102 9.088 ( 3.840 2.875 2.323) 5.330 9.381 ( -7.445 -3.406 -1.226) 8.278 10.011 ( 10.410 19.097 -0.384) 21.753 10.526 ( 2.090 9.663 1.133) 9.952 10.680 ( 2.688 8.598 3.696) 9.737 10.935 ( -12.034 13.413 -1.057) 18.051 11.270 ( 1.277 0.950 -0.553) 1.685 11.528 ( 4.021 0.986 -4.250) 5.933 11.927 ( 7.328 -11.330 6.070) 14.796 12.390 ( -7.059 -8.964 3.126) 11.830 12.828 ( -17.744 8.673 -0.937) 19.772 13.224 ( -9.191 -4.683 1.710) 10.456 13.849 ( -27.192 11.279 2.005) 29.506 13.970 ( -14.884 -11.272 2.138) 18.793 14.108 ( 8.803 -13.656 0.137) 16.248 14.653 ( -2.721 -4.534 -2.245) 5.744 14.824 ( -19.138 -12.137 3.376) 22.912 15.122 ( -5.130 -13.745 -1.168) 14.717 15.885 ( 16.900 22.710 -0.118) 28.309 16.398 ( -0.413 2.440 -0.026) 2.475 16.639 ( 4.197 12.053 -11.568) 17.225 16.767 ( 15.847 12.046 -1.334) 19.950 17.356 ( -8.432 -14.405 -19.088) 25.356 17.662 ( 5.116 -13.915 0.959) 14.857 17.899 ( 8.922 7.256 -0.562) 11.514 17.998 ( 8.889 2.831 -1.937) 9.527 18.284 ( 11.319 16.337 6.352) 20.865 19.814 ( 22.018 -14.203 19.206) 32.487 20.774 ( -5.156 8.522 1.129) 10.024 21.392 ( -16.574 -3.964 -0.639) 17.053 21.833 ( 3.912 4.325 -0.070) 5.832 22.990 ( 9.123 -15.394 -2.450) 18.061 ======================= Grid point 287 (152/224) ======================= q-point: (-0.11 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.601 ( 3.981 30.003 -4.306) 30.571 4.985 ( -14.594 30.986 -3.508) 34.430 5.957 ( 5.454 0.343 -7.542) 9.313 6.149 ( -1.179 -3.751 -9.895) 10.648 6.503 ( -17.817 17.298 -0.028) 24.833 6.664 ( -1.491 -6.213 -10.327) 12.144 6.910 ( -9.931 -8.846 -1.076) 13.343 7.612 ( -26.832 -9.337 -0.123) 28.410 8.137 ( -2.323 24.494 18.450) 30.754 8.753 ( 7.142 4.502 4.574) 9.602 9.163 ( 0.979 -2.310 3.175) 4.047 9.314 ( -0.577 -4.109 -0.896) 4.245 10.310 ( 12.577 12.071 1.385) 17.487 10.593 ( 6.198 16.393 1.434) 17.584 10.739 ( -2.174 8.475 1.022) 8.809 10.769 ( 2.373 12.745 2.574) 13.217 11.292 ( 1.046 12.035 1.195) 12.140 11.675 ( 7.803 1.570 -5.659) 9.766 12.070 ( 3.934 -12.639 6.809) 14.885 12.264 ( -4.890 1.191 2.172) 5.481 12.528 ( -9.931 5.315 1.848) 11.414 13.030 ( -10.007 -11.270 3.519) 15.477 13.250 ( -26.149 9.458 0.515) 27.812 13.623 ( -24.948 -3.805 1.960) 25.312 14.234 ( 1.348 -16.808 -2.335) 17.023 14.394 ( -5.666 -12.939 -2.110) 14.282 14.764 ( 2.918 -7.854 2.417) 8.720 15.058 ( -1.451 -12.501 0.132) 12.586 16.188 ( -2.410 6.728 -10.799) 12.950 16.235 ( 8.351 12.682 -1.063) 15.222 16.592 ( -7.095 5.025 -7.902) 11.749 17.050 ( -5.771 -11.852 -13.048) 18.547 17.281 ( 21.449 7.646 -8.618) 24.347 17.770 ( 3.332 -7.994 -2.011) 8.892 18.042 ( 5.634 3.985 -1.867) 7.149 18.188 ( 9.816 7.766 0.953) 12.553 18.484 ( 4.758 25.039 8.564) 26.887 20.182 ( 8.246 -15.325 15.167) 23.084 20.775 ( 2.971 -0.331 5.396) 6.169 21.060 ( -14.439 -2.632 1.314) 14.735 21.905 ( 2.740 5.649 0.244) 6.283 23.135 ( 5.752 -15.334 -1.722) 16.467 ======================= Grid point 288 (153/224) ======================= q-point: ( 0.00 0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.264 ( -1.202 25.671 1.590) 25.749 5.413 ( 1.207 31.789 -18.643) 36.873 5.758 ( -0.176 -20.847 -1.459) 20.899 5.939 ( 1.219 -16.379 -22.826) 28.121 6.494 ( -0.620 -2.291 -0.389) 2.405 6.523 ( 0.652 -3.074 0.782) 3.238 6.774 ( -0.433 16.809 -0.758) 16.831 7.104 ( 0.837 -14.119 -0.845) 14.169 8.573 ( -0.729 13.782 12.849) 18.857 8.799 ( 0.988 -8.865 7.806) 11.853 9.178 ( -0.467 1.958 4.616) 5.036 9.234 ( 1.984 -3.870 1.350) 4.554 10.707 ( 3.079 10.024 6.525) 12.351 10.827 ( 1.980 -1.269 4.329) 4.927 10.929 ( -1.397 19.256 0.746) 19.321 11.184 ( 6.689 -2.019 -1.882) 7.236 11.585 ( -2.760 10.455 4.871) 11.859 11.738 ( -4.063 -1.517 1.588) 4.619 12.046 ( 6.289 6.142 0.971) 8.844 12.304 ( 3.752 -10.353 -1.287) 11.087 12.543 ( 0.730 5.188 2.092) 5.641 12.643 ( -2.446 -8.319 1.978) 8.894 13.057 ( -3.053 5.125 0.956) 6.041 13.137 ( -8.694 -1.153 0.733) 8.801 13.883 ( -1.819 -5.822 -1.392) 6.256 14.042 ( -0.363 -18.299 0.003) 18.303 14.780 ( 0.072 3.746 1.006) 3.880 14.890 ( -0.007 -6.571 0.419) 6.584 16.153 ( -2.257 8.693 -17.277) 19.471 16.359 ( -4.302 -9.351 -16.099) 19.109 16.656 ( 3.874 7.432 -0.678) 8.409 16.740 ( 2.694 -2.218 -3.978) 5.292 17.526 ( -2.320 -0.565 -2.954) 3.799 17.580 ( -6.554 -5.100 -2.734) 8.743 18.396 ( 5.730 8.110 -0.446) 9.941 18.438 ( 1.566 3.946 -0.059) 4.246 19.207 ( 0.523 32.656 9.050) 33.891 19.851 ( 0.328 -28.888 11.152) 30.967 20.735 ( -1.325 0.837 0.458) 1.633 20.824 ( 2.414 -8.016 1.643) 8.531 22.292 ( 0.171 24.038 2.101) 24.130 22.793 ( 0.194 -23.242 1.178) 23.273 ======================= Grid point 289 (154/224) ======================= q-point: ( 0.11 0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.122 ( -7.956 26.760 -4.353) 28.255 5.520 ( 8.022 18.963 -9.099) 22.511 5.660 ( -6.337 -16.957 -4.290) 18.604 5.935 ( 6.167 -10.880 -18.903) 22.665 6.526 ( 3.805 1.418 0.819) 4.142 6.623 ( 9.068 -7.249 0.982) 11.651 7.033 ( 25.858 20.912 -0.871) 33.267 7.409 ( 29.057 -15.406 -0.644) 32.895 8.572 ( -3.481 13.363 9.489) 16.755 8.805 ( -3.067 -9.840 5.915) 11.883 9.181 ( -0.706 5.477 3.241) 6.403 9.301 ( 3.184 -6.227 1.433) 7.140 10.706 ( -7.554 11.779 5.734) 15.122 10.834 ( -3.826 2.589 5.017) 6.820 10.965 ( 4.366 12.635 -2.962) 13.692 11.184 ( -5.456 -6.643 -3.734) 9.372 11.411 ( -9.984 18.007 4.400) 21.055 11.690 ( -2.322 1.751 4.141) 5.060 11.991 ( -10.190 -3.256 -0.955) 10.740 12.170 ( -3.923 -10.789 -1.711) 11.607 12.723 ( 15.240 5.843 1.915) 16.434 12.839 ( 17.882 -6.804 4.501) 19.655 13.358 ( 28.385 8.080 1.898) 29.574 13.464 ( 27.997 0.115 2.328) 28.094 13.790 ( -6.201 -5.086 -0.584) 8.041 13.997 ( -1.545 -19.468 0.146) 19.530 14.741 ( -3.844 2.654 -0.607) 4.711 14.851 ( -3.402 -8.031 -0.518) 8.737 16.121 ( 4.821 8.213 -10.934) 14.500 16.302 ( 3.245 -8.442 -8.909) 12.696 16.697 ( 1.581 10.874 -4.094) 11.727 16.829 ( 3.068 -1.954 -8.717) 9.445 17.272 ( -21.005 2.370 -1.065) 21.165 17.363 ( -11.097 -7.815 0.803) 13.597 18.341 ( -6.823 5.396 -1.984) 8.922 18.386 ( -6.931 2.182 -1.172) 7.361 19.190 ( -6.586 31.664 8.029) 33.323 19.836 ( -7.340 -29.656 10.547) 32.320 20.791 ( 6.661 7.011 0.727) 9.698 20.993 ( 12.959 -11.536 -0.273) 17.352 22.258 ( -4.217 23.470 1.565) 23.897 22.747 ( -5.102 -22.578 0.685) 23.158 ======================= Grid point 290 (155/224) ======================= q-point: ( 0.22 0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.953 ( -7.172 21.594 -2.820) 22.928 5.375 ( -13.498 -19.000 -0.929) 23.325 5.743 ( 11.671 17.960 -8.275) 22.962 6.016 ( 9.260 -7.534 -16.777) 20.590 6.635 ( 5.667 7.139 1.035) 9.173 6.822 ( 9.135 -9.903 0.520) 13.482 7.721 ( 37.226 26.099 2.718) 45.545 8.162 ( 40.222 -16.715 2.182) 43.611 8.551 ( 1.798 10.023 2.220) 10.422 8.745 ( -3.141 -8.928 2.620) 9.820 9.179 ( 0.356 7.531 2.207) 7.856 9.330 ( -1.179 -6.842 -0.265) 6.948 10.468 ( -12.451 18.418 1.988) 22.320 10.779 ( -5.812 -8.035 4.461) 10.874 10.929 ( -4.613 7.310 -3.514) 9.331 11.104 ( 1.031 -6.809 -3.118) 7.559 11.290 ( -6.958 18.886 1.990) 20.225 11.650 ( -4.947 -7.881 3.068) 9.798 11.859 ( 2.373 12.202 -1.034) 12.474 12.219 ( 7.873 -15.875 0.629) 17.731 13.126 ( 21.060 9.856 0.828) 23.267 13.261 ( 18.603 -3.513 2.519) 19.099 13.608 ( -3.907 -4.454 1.084) 6.022 13.719 ( -4.878 -12.338 -0.027) 13.267 14.058 ( 33.212 12.417 3.635) 35.643 14.321 ( 29.947 -12.789 3.337) 32.734 14.671 ( -0.894 3.024 -1.162) 3.361 14.809 ( 1.384 -11.081 -0.776) 11.194 16.170 ( -3.353 10.535 -0.862) 11.090 16.313 ( -5.548 -2.526 0.290) 6.103 16.523 ( -16.023 9.922 -6.525) 19.944 16.678 ( -8.747 -6.315 -8.289) 13.605 16.981 ( -1.681 10.820 -0.481) 10.961 17.256 ( -0.917 -15.235 -0.785) 15.282 18.200 ( -5.368 2.835 -3.194) 6.860 18.221 ( -6.293 0.849 -3.024) 7.033 18.981 ( -17.290 29.257 6.391) 34.580 19.598 ( -20.779 -29.077 9.345) 36.940 20.982 ( 11.357 14.132 -0.195) 18.131 21.287 ( 15.609 -14.648 -1.374) 21.450 22.148 ( -6.814 21.690 0.551) 22.742 22.607 ( -8.488 -21.375 -0.239) 23.000 ======================= Grid point 291 (156/224) ======================= q-point: ( 0.33 0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.830 ( -3.931 13.384 -1.130) 13.995 5.106 ( -12.365 -13.320 -0.131) 18.175 5.977 ( 14.087 12.953 -4.520) 19.663 6.171 ( 12.229 -5.732 -13.787) 19.300 6.728 ( 3.004 12.899 -0.692) 13.262 6.969 ( 5.474 -9.435 -1.299) 10.985 8.146 ( -0.093 23.373 10.130) 25.473 8.460 ( -7.210 -6.531 6.810) 11.875 8.827 ( 13.691 3.665 -4.291) 14.808 8.860 ( 3.995 1.167 -2.283) 4.747 9.352 ( 14.752 2.801 -1.754) 15.117 9.493 ( 35.823 -10.155 0.654) 37.240 10.350 ( 0.338 16.281 -0.363) 16.288 10.670 ( -4.116 -13.090 0.873) 13.749 10.849 ( -4.081 11.067 -0.672) 11.814 11.101 ( -3.265 -10.166 -0.456) 10.687 11.126 ( -6.714 15.179 -3.514) 16.965 11.489 ( -9.744 -17.005 0.915) 19.620 12.120 ( 21.183 20.411 1.376) 29.449 12.460 ( 15.659 -13.069 0.510) 20.403 13.333 ( -1.077 9.087 -5.039) 10.446 13.477 ( 5.279 1.618 -0.481) 5.542 13.609 ( -3.639 -11.258 0.391) 11.838 13.652 ( 2.392 -11.239 2.725) 11.810 14.556 ( -6.715 13.008 3.405) 15.030 14.698 ( 10.594 6.508 -0.704) 12.453 14.783 ( 4.102 -6.566 4.013) 8.720 14.947 ( 21.510 -14.867 0.857) 26.162 16.024 ( 4.568 12.456 3.473) 13.714 16.149 ( 2.022 1.730 3.870) 4.696 16.339 ( -7.494 9.441 1.279) 12.121 16.571 ( -5.463 -11.182 -1.998) 12.605 17.056 ( 6.398 5.053 -1.021) 8.216 17.223 ( -0.713 -10.064 -2.211) 10.328 18.115 ( -2.274 5.101 -3.533) 6.608 18.166 ( 2.150 -1.610 -4.342) 5.105 18.569 ( -24.704 23.131 2.768) 33.955 19.095 ( -32.010 -24.957 6.241) 41.067 21.202 ( 10.048 17.754 -0.749) 20.414 21.568 ( 12.503 -16.843 -1.921) 21.064 22.009 ( -6.648 19.172 -0.261) 20.293 22.427 ( -8.653 -19.773 -1.060) 21.610 ======================= Grid point 292 (157/224) ======================= q-point: ( 0.44 0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.801 ( 1.488 4.362 -0.231) 4.615 4.904 ( -7.358 -5.619 -0.062) 9.258 6.244 ( 12.616 8.477 -1.365) 15.261 6.374 ( 11.896 -4.472 -10.301) 16.359 6.741 ( -0.048 17.673 -4.048) 18.131 7.014 ( -0.248 -8.613 -5.467) 10.205 8.074 ( -7.138 17.886 9.447) 21.450 8.291 ( -9.552 -3.351 7.800) 12.779 8.800 ( -5.087 4.876 -0.333) 7.054 8.858 ( -2.478 -0.485 -2.270) 3.395 9.849 ( 24.336 12.340 -0.185) 27.287 10.157 ( 16.579 -14.064 1.120) 21.769 10.463 ( 13.128 9.913 -3.079) 16.736 10.565 ( -8.527 7.510 -0.328) 11.368 10.784 ( -2.688 -1.021 -1.281) 3.148 10.955 ( -3.055 0.943 -5.397) 6.273 11.039 ( -4.355 -6.143 0.222) 7.533 11.324 ( -5.981 -16.676 0.332) 17.719 12.623 ( 23.493 10.287 -0.108) 25.647 12.779 ( 10.198 -6.094 -1.561) 11.982 13.262 ( -2.734 8.223 -3.282) 9.267 13.427 ( -7.083 -5.672 -2.475) 9.405 13.600 ( 0.467 -3.248 2.262) 3.985 13.638 ( -1.057 -6.683 1.582) 6.949 14.063 ( -24.242 18.009 0.658) 30.207 14.392 ( -16.644 -13.045 1.092) 21.175 15.230 ( 20.975 10.967 0.708) 23.680 15.465 ( 19.224 -10.764 1.435) 22.079 16.023 ( -11.993 11.542 0.238) 16.647 16.285 ( -12.550 -13.003 0.272) 18.073 16.475 ( 28.845 13.172 8.233) 32.762 16.661 ( 24.011 -4.123 11.870) 27.100 17.160 ( 2.699 3.590 1.184) 4.645 17.251 ( 2.434 -5.220 0.913) 5.831 17.933 ( -20.264 20.686 -0.234) 28.959 18.189 ( -4.338 1.118 -1.819) 4.835 18.244 ( 4.097 -5.916 -6.698) 9.831 18.421 ( -33.215 -17.472 -0.298) 37.532 21.349 ( 4.298 19.062 -1.017) 19.567 21.741 ( 4.542 -16.730 -2.033) 17.455 21.904 ( -2.920 15.972 -0.704) 16.252 22.286 ( -3.885 -18.487 -1.457) 18.947 ======================= Grid point 293 (158/224) ======================= q-point: (-0.44 0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.822 ( -0.621 2.930 -0.387) 3.020 4.893 ( 7.744 -4.048 0.075) 8.739 6.356 ( -3.588 14.727 -6.623) 16.542 6.516 ( 6.959 -1.452 -6.216) 9.443 6.789 ( 7.138 5.023 -3.226) 9.305 6.901 ( -7.288 -5.130 -10.480) 13.757 8.010 ( -3.244 17.539 12.437) 21.744 8.203 ( -2.770 -1.127 10.824) 11.229 8.716 ( -3.068 4.498 -0.836) 5.508 8.806 ( -1.995 -3.930 -1.025) 4.525 10.010 ( -22.070 10.279 -3.282) 24.567 10.152 ( -2.294 0.560 2.015) 3.105 10.433 ( -0.958 8.318 -1.365) 8.484 10.481 ( -16.277 -3.760 0.651) 16.718 10.724 ( 1.875 5.204 1.101) 5.640 10.972 ( 1.495 -14.785 -6.030) 16.037 11.105 ( 11.437 2.299 -3.691) 12.236 11.321 ( 6.703 -13.310 0.391) 14.907 12.508 ( -29.782 10.572 1.679) 31.647 12.668 ( -17.633 -6.270 -0.482) 18.721 13.253 ( 0.512 5.461 -3.557) 6.538 13.365 ( 2.549 -4.440 -2.023) 5.505 13.656 ( 2.111 -2.977 1.586) 3.979 13.686 ( 3.450 -7.637 1.989) 8.613 14.118 ( 29.203 19.757 -0.072) 35.258 14.459 ( 21.886 -12.867 0.434) 25.392 15.171 ( -23.505 10.950 1.399) 25.968 15.408 ( -23.549 -11.591 1.929) 26.317 16.066 ( 14.255 12.704 -0.562) 19.103 16.332 ( 12.564 -11.998 -0.213) 17.374 16.830 ( -12.499 18.836 9.511) 24.525 17.042 ( 9.705 3.026 7.617) 12.703 17.191 ( 0.483 -1.582 1.994) 2.590 17.289 ( -0.140 -9.448 8.035) 12.403 17.680 ( 2.330 5.376 -7.596) 9.593 17.823 ( -12.016 -7.167 -4.651) 14.744 18.202 ( 4.470 8.435 -3.873) 10.302 18.442 ( 15.241 -12.531 0.614) 19.740 21.345 ( -4.291 18.044 -0.946) 18.571 21.711 ( -6.346 -15.401 -1.715) 16.745 21.900 ( 2.810 16.345 -0.648) 16.598 22.294 ( 4.938 -19.517 -1.549) 20.191 ======================= Grid point 294 (159/224) ======================= q-point: (-0.33 0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.872 ( 5.607 11.616 -1.248) 12.958 5.104 ( 13.004 -11.031 0.047) 17.053 6.147 ( -10.745 22.964 -11.717) 27.931 6.530 ( -4.465 -14.561 -16.758) 22.645 6.716 ( -4.675 9.622 -2.334) 10.950 6.896 ( 1.990 -7.216 -0.636) 7.512 8.000 ( -6.465 20.976 14.423) 26.265 8.238 ( -0.372 -1.144 12.871) 12.927 8.622 ( -8.384 2.352 -2.568) 9.079 8.734 ( -7.257 -8.231 0.616) 10.991 9.443 ( -25.760 10.155 -2.317) 27.787 9.665 ( -31.765 -10.323 -2.436) 33.489 10.337 ( -2.114 16.740 3.252) 17.183 10.536 ( 8.584 2.287 -0.204) 8.886 10.751 ( -0.689 2.963 5.190) 6.016 10.961 ( 2.287 -14.519 -6.883) 16.230 11.290 ( 7.244 7.307 -4.941) 11.414 11.507 ( 9.518 -11.900 -1.044) 15.274 11.984 ( -20.401 18.653 4.906) 28.075 12.310 ( -14.670 -13.135 2.827) 19.893 13.228 ( -2.527 7.278 -3.909) 8.639 13.349 ( -5.190 -2.398 -0.670) 5.757 13.703 ( 2.648 -6.790 0.786) 7.331 13.753 ( 1.460 -10.207 1.651) 10.442 14.633 ( -22.080 8.994 0.660) 23.850 14.715 ( 17.921 14.203 0.670) 22.877 14.867 ( -22.661 -14.039 1.858) 26.722 14.959 ( 9.651 -8.336 1.666) 12.861 16.166 ( -4.585 15.052 0.214) 15.736 16.375 ( -3.117 -3.085 1.145) 4.532 16.735 ( 7.544 15.164 1.981) 17.053 16.992 ( -4.436 0.901 -5.073) 6.799 17.176 ( 1.997 -11.180 2.628) 11.657 17.279 ( -4.275 -11.598 -6.787) 14.101 17.826 ( 7.836 1.267 -5.354) 9.574 17.848 ( 8.233 -0.070 -2.839) 8.709 18.417 ( 17.204 23.383 5.379) 29.525 18.890 ( 24.883 -20.691 9.810) 33.816 21.194 ( -9.754 15.531 -0.610) 18.350 21.509 ( -12.505 -14.001 -1.273) 18.815 21.994 ( 6.076 19.183 -0.100) 20.123 22.428 ( 8.228 -21.314 -1.032) 22.871 ======================= Grid point 295 (160/224) ======================= q-point: (-0.22 0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.015 ( 8.692 19.908 -2.430) 21.858 5.391 ( 14.926 -16.309 -0.555) 22.115 5.883 ( -10.147 24.984 -13.628) 30.214 6.283 ( -9.048 -11.544 -21.629) 26.133 6.645 ( -4.328 5.139 0.492) 6.737 6.840 ( -7.459 -11.254 0.333) 13.505 7.642 ( -33.039 23.169 3.853) 40.536 8.024 ( -32.496 -13.919 4.166) 35.596 8.431 ( -2.003 9.658 6.874) 12.023 8.610 ( -0.305 -7.112 8.012) 10.718 9.173 ( -3.582 5.025 1.354) 6.318 9.282 ( -6.589 -5.507 -0.317) 8.593 10.400 ( 7.011 18.271 3.801) 19.936 10.692 ( 4.002 -7.471 5.903) 10.328 10.777 ( 4.999 12.433 -0.210) 13.402 11.015 ( 3.788 -8.121 -5.297) 10.409 11.366 ( 4.156 12.493 -4.112) 13.793 11.648 ( 4.795 -11.559 -1.249) 12.577 11.772 ( -3.111 15.681 5.700) 16.972 12.134 ( -4.817 -15.904 4.584) 17.238 13.029 ( -16.982 9.175 -0.357) 19.305 13.143 ( -14.737 -3.021 1.696) 15.138 13.726 ( -1.070 -5.480 0.182) 5.587 13.809 ( 5.622 -12.390 -0.452) 13.613 14.150 ( -28.898 13.221 2.145) 31.851 14.434 ( -23.464 -14.950 1.849) 27.883 14.768 ( -4.652 5.130 -0.156) 6.927 14.910 ( -8.046 -8.248 -1.169) 11.581 16.272 ( 11.871 13.728 -0.999) 18.176 16.418 ( 2.374 -1.391 -1.971) 3.384 16.850 ( -4.597 9.109 -12.278) 15.965 17.025 ( 13.168 12.557 0.384) 18.199 17.068 ( -4.864 -11.868 -14.122) 19.078 17.329 ( 10.774 -16.276 0.541) 19.526 17.971 ( 9.144 2.920 -2.685) 9.968 18.025 ( 11.339 -1.301 -1.361) 11.494 18.816 ( 16.659 29.939 9.572) 35.574 19.400 ( 19.504 -25.725 13.286) 34.910 20.978 ( -10.944 11.491 -0.086) 15.869 21.223 ( -15.147 -11.494 -0.696) 19.027 22.123 ( 6.315 21.431 0.789) 22.356 22.594 ( 8.064 -22.601 -0.016) 23.996 ======================= Grid point 296 (161/224) ======================= q-point: (-0.11 0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.170 ( 7.366 26.004 -2.602) 27.152 5.601 ( -4.538 20.805 -12.700) 24.794 5.678 ( 4.998 -14.005 -3.865) 15.364 6.058 ( -4.187 -11.676 -21.563) 24.876 6.549 ( -4.324 -0.830 -0.533) 4.435 6.631 ( -11.480 -6.958 0.623) 13.438 7.025 ( -23.388 18.641 -0.886) 29.921 7.372 ( -25.984 -14.421 -0.833) 29.729 8.501 ( 1.995 12.903 13.740) 18.954 8.709 ( 4.068 -7.408 9.358) 12.609 9.162 ( 0.123 1.980 2.920) 3.530 9.226 ( -1.290 -4.010 1.494) 4.469 10.579 ( 6.906 12.984 5.700) 15.773 10.767 ( 2.089 -4.237 7.202) 8.613 10.947 ( 7.557 13.279 -1.793) 15.384 11.015 ( 1.908 7.393 -2.775) 8.124 11.501 ( 8.271 8.253 0.537) 11.696 11.721 ( 4.020 -7.011 -0.373) 8.090 11.856 ( 8.173 5.063 3.194) 10.130 12.140 ( 3.955 -13.208 3.846) 14.313 12.686 ( -14.129 8.173 0.733) 16.339 12.827 ( -14.913 -7.036 1.960) 16.606 13.485 ( -32.003 11.363 0.692) 33.968 13.592 ( -23.640 0.994 1.239) 23.693 13.892 ( 0.553 -10.972 -1.835) 11.138 14.029 ( -4.170 -18.779 0.147) 19.237 14.751 ( 1.725 3.704 0.257) 4.094 14.863 ( 1.622 -7.159 -0.331) 7.348 16.314 ( -6.317 8.219 -13.503) 17.023 16.450 ( 6.128 0.302 -8.541) 10.517 16.670 ( -8.703 5.451 -7.475) 12.701 16.819 ( -7.317 -8.290 -5.024) 12.145 17.412 ( 15.412 5.356 -4.444) 16.911 17.559 ( 9.120 -9.689 -2.775) 13.592 18.181 ( 12.517 7.930 -0.423) 14.824 18.281 ( 12.784 -0.314 0.151) 12.788 19.099 ( 7.337 32.308 9.865) 34.568 19.730 ( 8.004 -28.010 12.873) 31.849 20.800 ( -5.982 4.015 0.728) 7.241 20.934 ( -12.264 -8.025 0.222) 14.658 22.238 ( 4.232 23.271 1.735) 23.716 22.732 ( 5.206 -23.269 0.903) 23.861 ======================= Grid point 351 (162/224) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -2.249 0.000 19.100) 19.232 2.461 ( -0.152 0.000 18.365) 18.366 3.580 ( 1.318 0.000 -15.620) 15.675 4.634 ( 0.535 0.000 -12.973) 12.984 5.268 ( -0.922 0.000 59.004) 59.011 6.387 ( -0.002 0.000 1.839) 1.839 7.263 ( -5.333 0.000 -1.116) 5.448 7.531 ( 11.566 0.000 -23.765) 26.430 7.775 ( -10.497 0.000 -21.862) 24.251 7.971 ( 3.430 0.000 -1.438) 3.719 8.770 ( 0.866 0.000 -1.127) 1.421 9.259 ( 5.314 0.000 1.144) 5.436 9.621 ( -6.559 0.000 -2.230) 6.928 9.906 ( 14.412 0.000 -2.666) 14.657 10.020 ( -25.793 0.000 4.354) 26.158 10.098 ( 26.014 0.000 -2.985) 26.184 10.150 ( -13.079 0.000 1.326) 13.146 11.372 ( -0.356 0.000 0.980) 1.042 11.702 ( 0.059 0.000 1.656) 1.657 11.997 ( 0.182 0.000 -2.260) 2.267 12.991 ( 0.528 0.000 0.760) 0.925 13.178 ( -0.014 0.000 -0.747) 0.747 13.270 ( -3.054 0.000 1.290) 3.315 13.536 ( 0.528 0.000 5.096) 5.123 13.940 ( -1.369 0.000 3.527) 3.784 14.208 ( 1.739 0.000 -0.430) 1.791 14.266 ( 0.469 0.000 0.829) 0.952 15.488 ( 0.282 0.000 -0.239) 0.370 15.623 ( 0.003 0.000 0.021) 0.021 15.856 ( 0.851 0.000 0.066) 0.854 16.945 ( 18.458 0.000 8.785) 20.442 17.146 ( -20.269 0.000 -8.600) 22.018 18.102 ( -1.621 0.000 -5.482) 5.717 18.549 ( 1.715 0.000 0.565) 1.806 18.792 ( -1.589 0.000 -0.870) 1.812 18.845 ( 0.016 0.000 -0.002) 0.016 18.953 ( -0.023 0.000 0.003) 0.023 19.242 ( -20.591 0.000 3.927) 20.962 19.569 ( 23.758 0.000 -3.579) 24.026 21.334 ( 0.403 0.000 3.469) 3.492 22.170 ( -0.004 0.000 -0.017) 0.018 24.407 ( -0.119 0.000 -0.634) 0.645 ======================= Grid point 352 (163/224) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( 23.930 0.000 11.143) 26.398 3.021 ( 70.837 0.000 17.075) 72.866 3.761 ( 22.156 0.000 -16.068) 27.370 4.633 ( 3.857 0.000 -9.431) 10.189 5.446 ( -0.198 0.000 41.022) 41.022 6.358 ( -3.401 0.000 1.126) 3.582 7.052 ( -15.156 0.000 -0.412) 15.162 7.301 ( -14.239 0.000 -25.130) 28.884 7.954 ( 0.592 0.000 -0.599) 0.842 8.118 ( 34.395 0.000 -3.938) 34.620 8.722 ( -6.445 0.000 -1.611) 6.644 9.116 ( -15.097 0.000 -4.428) 15.733 9.478 ( -23.941 0.000 -9.902) 25.908 9.566 ( -15.699 0.000 0.455) 15.705 9.738 ( 10.126 0.000 8.642) 13.312 10.599 ( 24.482 0.000 5.608) 25.116 10.605 ( 25.072 0.000 -3.296) 25.287 11.477 ( 11.012 0.000 1.169) 11.074 11.678 ( -2.847 0.000 0.914) 2.990 12.135 ( 13.821 0.000 -1.646) 13.919 13.140 ( -3.599 0.000 -0.441) 3.626 13.149 ( 13.353 0.000 0.541) 13.364 13.261 ( -11.491 0.000 3.874) 12.127 13.378 ( 1.376 0.000 5.599) 5.766 13.689 ( -11.971 0.000 0.288) 11.974 14.352 ( 8.478 0.000 0.797) 8.516 14.931 ( 45.716 0.000 -4.111) 45.900 15.482 ( -1.619 0.000 -0.585) 1.722 15.649 ( 2.613 0.000 0.007) 2.613 15.821 ( -3.350 0.000 -1.275) 3.584 16.747 ( -13.858 0.000 -7.588) 15.800 17.315 ( 11.568 0.000 11.133) 16.054 18.060 ( -1.504 0.000 -0.201) 1.517 18.345 ( -26.613 0.000 0.006) 26.613 18.352 ( -31.388 0.000 2.925) 31.524 18.700 ( -10.704 0.000 -1.493) 10.808 18.753 ( -2.315 0.000 2.930) 3.734 19.466 ( 27.911 0.000 0.008) 27.911 20.278 ( 37.180 0.000 -10.554) 38.649 21.332 ( -1.301 0.000 0.861) 1.560 22.126 ( -4.371 0.000 -0.003) 4.371 24.019 ( -36.579 0.000 0.380) 36.581 ======================= Grid point 353 (164/224) ======================= q-point: ( 0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.418 ( 35.191 0.000 3.956) 35.412 4.134 ( 25.369 0.000 4.022) 25.685 4.707 ( 6.269 0.000 -5.150) 8.113 4.722 ( 78.606 0.000 -1.539) 78.621 5.656 ( 10.986 0.000 15.000) 18.593 6.267 ( -5.725 0.000 0.661) 5.763 6.677 ( -20.160 0.000 1.479) 20.214 6.965 ( -13.432 0.000 -2.826) 13.727 7.872 ( -3.995 0.000 -1.649) 4.322 8.395 ( -25.946 0.000 1.001) 25.965 8.865 ( 7.877 0.000 -10.785) 13.355 8.865 ( -6.217 0.000 -3.447) 7.109 9.216 ( 32.148 0.000 -6.960) 32.892 9.318 ( -8.485 0.000 -2.834) 8.946 10.048 ( 15.334 0.000 8.661) 17.611 10.913 ( 3.214 0.000 6.582) 7.324 11.048 ( 19.499 0.000 -2.695) 19.684 11.608 ( -3.549 0.000 -0.244) 3.557 11.850 ( 24.386 0.000 1.977) 24.466 12.489 ( 19.569 0.000 -0.585) 19.578 12.974 ( -13.721 0.000 -1.379) 13.790 13.034 ( -6.658 0.000 -0.113) 6.658 13.201 ( -15.901 0.000 2.447) 16.088 13.531 ( 13.560 0.000 1.693) 13.666 13.722 ( 13.080 0.000 4.782) 13.926 14.567 ( 11.599 0.000 0.456) 11.608 15.287 ( -10.715 0.000 -4.976) 11.814 15.725 ( 4.822 0.000 -0.005) 4.822 15.745 ( 13.142 0.000 1.618) 13.241 15.839 ( 20.347 0.000 -3.046) 20.574 16.568 ( -2.125 0.000 -5.758) 6.137 17.240 ( -28.708 0.000 6.706) 29.481 17.842 ( -23.328 0.000 0.015) 23.328 17.847 ( -7.758 0.000 5.674) 9.612 18.028 ( -3.006 0.000 2.989) 4.239 18.615 ( -0.429 0.000 -3.977) 4.000 18.752 ( 0.985 0.000 8.320) 8.378 20.011 ( 26.323 0.000 0.011) 26.323 20.903 ( 29.581 0.000 -13.196) 32.391 21.309 ( 0.091 0.000 -2.712) 2.713 21.997 ( -8.510 0.000 0.009) 8.510 23.068 ( -55.415 0.000 0.417) 55.416 ======================= Grid point 354 (165/224) ======================= q-point: ( 0.33 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.121 ( 32.241 0.000 -2.709) 32.355 4.594 ( 20.046 0.000 -1.424) 20.097 4.832 ( 6.959 0.000 0.637) 6.988 5.761 ( 2.406 0.000 32.019) 32.110 5.997 ( 20.627 0.000 -34.127) 39.876 6.158 ( -4.609 0.000 0.746) 4.669 6.491 ( 1.299 0.000 16.530) 16.581 6.875 ( 15.278 0.000 2.317) 15.452 7.825 ( -29.029 0.000 1.779) 29.083 7.948 ( 18.987 0.000 4.897) 19.609 8.613 ( -10.041 0.000 -24.902) 26.850 8.778 ( -2.151 0.000 -3.103) 3.775 9.179 ( -4.599 0.000 -3.128) 5.562 10.321 ( 58.509 0.000 -1.642) 58.532 10.394 ( 15.603 0.000 7.494) 17.310 10.781 ( -17.980 0.000 8.209) 19.765 11.256 ( -0.815 0.000 -0.432) 0.923 11.630 ( 8.844 0.000 -2.757) 9.264 12.295 ( 10.209 0.000 2.897) 10.612 12.566 ( -4.241 0.000 -0.315) 4.252 12.873 ( -12.720 0.000 -1.618) 12.822 12.884 ( -7.989 0.000 0.170) 7.991 13.066 ( 19.849 0.000 1.840) 19.934 13.721 ( 2.598 0.000 1.699) 3.105 13.981 ( 8.092 0.000 4.534) 9.276 14.668 ( -5.440 0.000 -1.947) 5.778 15.140 ( 2.085 0.000 -2.550) 3.294 15.791 ( -0.346 0.000 -4.118) 4.133 15.833 ( 5.644 0.000 -0.010) 5.644 16.163 ( 4.313 0.000 -3.179) 5.358 16.377 ( -23.257 0.000 12.004) 26.172 16.913 ( 10.036 0.000 -9.143) 13.576 17.430 ( -17.321 0.000 0.020) 17.321 17.781 ( -7.999 0.000 4.976) 9.421 17.964 ( -2.291 0.000 1.129) 2.553 18.623 ( 1.736 0.000 -1.522) 2.309 18.917 ( 10.994 0.000 17.926) 21.028 20.506 ( 22.843 0.000 0.008) 22.843 21.251 ( 3.495 0.000 -2.169) 4.113 21.397 ( 15.423 0.000 -23.562) 28.161 21.792 ( -11.767 0.000 0.015) 11.767 21.955 ( -51.204 0.000 4.731) 51.422 ======================= Grid point 355 (166/224) ======================= q-point: ( 0.44 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.542 ( 7.990 0.000 -5.159) 9.511 4.827 ( -2.204 0.000 9.599) 9.848 4.991 ( 7.493 0.000 4.954) 8.983 5.669 ( -5.173 0.000 14.317) 15.223 6.068 ( -2.085 0.000 -17.041) 17.168 6.128 ( 1.514 0.000 0.169) 1.524 6.637 ( 12.324 0.000 4.797) 13.225 7.219 ( 8.078 0.000 12.345) 14.753 7.353 ( -15.230 0.000 0.527) 15.239 8.312 ( -9.479 0.000 -28.876) 30.392 8.739 ( -0.884 0.000 -1.969) 2.159 8.869 ( 61.618 0.000 1.791) 61.644 9.104 ( -1.816 0.000 -2.305) 2.935 10.022 ( -49.722 0.000 5.169) 49.990 10.715 ( 13.141 0.000 5.612) 14.289 11.119 ( -9.526 0.000 -0.403) 9.534 11.542 ( 48.854 0.000 1.378) 48.873 11.808 ( 6.078 0.000 -2.223) 6.472 12.260 ( -2.597 0.000 2.983) 3.955 12.544 ( -20.941 0.000 -3.786) 21.281 12.652 ( 0.081 0.000 4.501) 4.501 12.750 ( -4.104 0.000 0.038) 4.104 13.394 ( 5.654 0.000 4.473) 7.210 13.786 ( 11.672 0.000 -0.880) 11.705 14.037 ( -3.246 0.000 0.305) 3.261 14.442 ( -13.038 0.000 -2.429) 13.263 15.205 ( 2.778 0.000 3.729) 4.650 15.713 ( -5.113 0.000 -6.881) 8.572 15.926 ( 2.920 0.000 -0.004) 2.920 16.065 ( -7.976 0.000 9.248) 12.213 16.214 ( 3.074 0.000 -4.276) 5.266 17.179 ( -6.918 0.000 0.020) 6.918 17.191 ( 14.714 0.000 -3.953) 15.235 17.550 ( -13.415 0.000 0.382) 13.420 17.962 ( 0.822 0.000 0.779) 1.133 18.655 ( 1.417 0.000 -0.355) 1.461 19.325 ( 20.672 0.000 21.821) 30.058 20.825 ( -36.756 0.000 -18.884) 41.323 20.888 ( 13.315 0.000 -0.000) 13.315 21.311 ( -5.666 0.000 18.055) 18.923 21.558 ( -9.551 0.000 0.013) 9.551 21.760 ( 14.915 0.000 -22.598) 27.077 ======================= Grid point 356 (167/224) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.400 ( -20.449 0.000 7.366) 21.735 4.620 ( -21.497 0.000 29.537) 36.531 5.098 ( 1.653 0.000 -4.431) 4.730 5.593 ( -14.802 0.000 9.474) 17.575 6.112 ( 17.869 0.000 -12.938) 22.061 6.146 ( -0.415 0.000 -1.452) 1.510 6.887 ( 13.998 0.000 -20.691) 24.981 7.363 ( 16.483 0.000 -0.408) 16.488 7.384 ( -2.327 0.000 15.238) 15.415 7.966 ( -16.387 0.000 -8.808) 18.604 8.725 ( 0.014 0.000 -0.697) 0.697 8.951 ( -46.396 0.000 -6.080) 46.793 9.089 ( 1.024 0.000 -0.925) 1.380 10.081 ( 51.656 0.000 -0.751) 51.661 10.796 ( -10.015 0.000 -1.655) 10.151 11.070 ( 8.071 0.000 3.991) 9.004 11.537 ( -51.382 0.000 1.626) 51.408 11.783 ( -7.926 0.000 -0.048) 7.926 12.187 ( 2.821 0.000 9.939) 10.331 12.517 ( 12.233 0.000 -0.857) 12.263 12.712 ( 2.688 0.000 -1.359) 3.012 12.760 ( 5.053 0.000 -0.832) 5.121 13.481 ( 1.370 0.000 -3.467) 3.728 13.780 ( -12.440 0.000 -0.442) 12.447 14.008 ( 1.692 0.000 2.939) 3.392 14.409 ( 11.906 0.000 0.650) 11.924 15.241 ( -4.680 0.000 2.224) 5.182 15.608 ( -0.027 0.000 1.022) 1.022 15.926 ( -2.940 0.000 0.014) 2.940 15.978 ( -2.066 0.000 8.952) 9.187 16.362 ( 12.242 0.000 -9.002) 15.195 17.126 ( -18.408 0.000 1.336) 18.456 17.179 ( 6.918 0.000 0.013) 6.918 17.579 ( 14.526 0.000 -1.871) 14.646 17.992 ( 2.253 0.000 -2.199) 3.148 18.661 ( -0.688 0.000 -1.124) 1.318 19.669 ( -4.418 0.000 -4.952) 6.636 20.387 ( 7.615 0.000 16.104) 17.814 20.888 ( -13.307 0.000 -0.004) 13.307 21.235 ( -9.484 0.000 14.534) 17.354 21.558 ( 9.565 0.000 -0.005) 9.565 21.947 ( 15.223 0.000 -28.756) 32.537 ======================= Grid point 357 (168/224) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.870 ( -35.395 0.000 16.826) 39.191 4.310 ( -21.705 0.000 31.483) 38.240 5.025 ( -4.356 0.000 -13.534) 14.218 5.249 ( -23.365 0.000 24.165) 33.613 6.159 ( 2.869 0.000 0.608) 2.932 6.357 ( -22.065 0.000 -20.278) 29.968 6.770 ( -18.778 0.000 -9.299) 20.955 7.059 ( 9.821 0.000 -15.536) 18.380 7.861 ( 29.729 0.000 -1.407) 29.762 7.918 ( 0.676 0.000 22.193) 22.203 8.445 ( 2.878 0.000 -20.905) 21.103 8.741 ( 1.908 0.000 0.224) 1.921 9.138 ( 4.017 0.000 0.725) 4.082 10.282 ( -57.025 0.000 1.731) 57.051 10.520 ( -14.539 0.000 -4.011) 15.082 10.907 ( 16.895 0.000 -3.656) 17.286 11.221 ( 0.790 0.000 2.720) 2.832 11.571 ( -9.492 0.000 2.498) 9.815 12.291 ( -2.520 0.000 4.701) 5.334 12.533 ( -9.454 0.000 3.556) 10.101 12.784 ( 14.044 0.000 4.625) 14.786 12.900 ( 8.179 0.000 -1.272) 8.278 13.120 ( -23.476 0.000 -3.357) 23.715 13.751 ( -4.827 0.000 -0.858) 4.903 14.033 ( -2.370 0.000 0.231) 2.381 14.628 ( 5.308 0.000 1.949) 5.655 15.086 ( -5.149 0.000 1.836) 5.467 15.683 ( 3.013 0.000 5.539) 6.306 15.832 ( -5.654 0.000 0.030) 5.655 16.107 ( 7.651 0.000 2.710) 8.117 16.662 ( 16.846 0.000 -14.289) 22.090 16.726 ( -12.582 0.000 7.960) 14.888 17.430 ( 17.317 0.000 0.006) 17.317 17.865 ( 13.651 0.000 -1.559) 13.739 18.014 ( 0.823 0.000 -4.790) 4.860 18.626 ( -1.734 0.000 -2.333) 2.907 19.317 ( -16.230 0.000 -17.760) 24.059 20.506 ( -22.836 0.000 -0.009) 22.836 20.847 ( 6.596 0.000 27.364) 28.147 21.073 ( -4.941 0.000 9.733) 10.916 21.792 ( 11.773 0.000 -0.021) 11.773 22.272 ( 32.431 0.000 -21.100) 38.690 ======================= Grid point 358 (169/224) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.202 ( -37.031 0.000 20.928) 42.535 3.929 ( -31.789 0.000 22.049) 38.687 4.861 ( -5.014 0.000 -16.490) 17.236 4.870 ( -48.537 0.000 -1.786) 48.570 5.060 ( -42.601 0.000 37.965) 57.063 6.250 ( 4.843 0.000 2.261) 5.345 7.030 ( 20.890 0.000 -22.128) 30.431 7.218 ( 12.834 0.000 -15.443) 20.080 7.926 ( -1.794 0.000 0.506) 1.864 8.419 ( 23.593 0.000 -1.080) 23.618 8.730 ( 23.044 0.000 -4.902) 23.560 8.823 ( 7.308 0.000 0.194) 7.310 9.144 ( -50.116 0.000 -0.597) 50.119 9.271 ( 9.602 0.000 1.770) 9.764 10.205 ( -14.734 0.000 -5.720) 15.806 10.990 ( -20.838 0.000 2.434) 20.979 11.019 ( -5.024 0.000 -3.164) 5.937 11.569 ( 4.349 0.000 3.218) 5.410 11.875 ( -25.733 0.000 -0.475) 25.737 12.515 ( -18.000 0.000 -2.494) 18.172 12.816 ( 10.324 0.000 13.560) 17.043 13.047 ( 6.653 0.000 -1.227) 6.765 13.184 ( 15.059 0.000 3.283) 15.413 13.546 ( -11.028 0.000 0.427) 11.036 13.814 ( -16.062 0.000 -3.411) 16.420 14.550 ( -10.464 0.000 2.158) 10.684 15.201 ( 10.395 0.000 2.546) 10.702 15.724 ( -4.823 0.000 0.036) 4.823 15.730 ( 0.643 0.000 2.674) 2.750 15.931 ( -30.192 0.000 -11.432) 32.284 16.422 ( -0.522 0.000 7.547) 7.565 17.370 ( 36.446 0.000 -5.195) 36.814 17.842 ( 23.322 0.000 0.002) 23.322 17.973 ( 2.667 0.000 -7.402) 7.868 18.106 ( 8.656 0.000 -1.752) 8.832 18.590 ( -0.424 0.000 -2.156) 2.197 18.984 ( -9.687 0.000 -13.138) 16.323 20.011 ( -26.323 0.000 -0.013) 26.323 20.591 ( -26.196 0.000 14.799) 30.087 21.214 ( 4.230 0.000 6.437) 7.703 21.997 ( 8.510 0.000 -0.028) 8.510 23.104 ( 50.484 0.000 -2.865) 50.565 ======================= Grid point 359 (170/224) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( -25.086 0.000 21.823) 33.250 2.933 ( -70.261 0.000 20.952) 73.318 3.861 ( -23.401 0.000 -20.869) 31.355 4.715 ( -2.766 0.000 -15.599) 15.842 5.040 ( -3.521 0.000 63.687) 63.785 6.345 ( 3.212 0.000 2.394) 4.006 7.238 ( 7.471 0.000 -7.438) 10.543 7.431 ( 13.792 0.000 -29.523) 32.585 7.903 ( -1.133 0.000 5.742) 5.853 8.254 ( -28.246 0.000 -19.164) 34.134 8.704 ( 6.669 0.000 0.051) 6.669 9.050 ( 12.533 0.000 1.735) 12.653 9.323 ( 30.339 0.000 2.536) 30.445 9.576 ( 20.032 0.000 -0.305) 20.035 9.902 ( -11.911 0.000 -6.707) 13.670 10.528 ( -25.723 0.000 3.702) 25.988 10.693 ( -25.256 0.000 -3.164) 25.453 11.484 ( -11.867 0.000 0.325) 11.872 11.662 ( 3.075 0.000 2.385) 3.892 12.147 ( -13.703 0.000 -2.792) 13.985 13.100 ( -5.528 0.000 5.663) 7.914 13.146 ( 3.571 0.000 -1.017) 3.713 13.222 ( 11.803 0.000 8.692) 14.658 13.454 ( -11.987 0.000 -2.836) 12.318 13.678 ( 12.568 0.000 1.294) 12.634 14.353 ( -8.518 0.000 0.813) 8.557 14.923 ( -45.100 0.000 -4.097) 45.286 15.479 ( 0.200 0.000 -0.466) 0.507 15.649 ( -2.609 0.000 0.032) 2.609 15.791 ( 4.363 0.000 1.377) 4.575 16.584 ( 12.501 0.000 7.171) 14.412 17.534 ( -11.885 0.000 -8.870) 14.830 18.153 ( 0.801 0.000 -8.046) 8.086 18.345 ( 26.606 0.000 0.001) 26.606 18.384 ( 21.133 0.000 -0.285) 21.135 18.712 ( 21.666 0.000 -2.071) 21.765 18.847 ( 0.164 0.000 -6.192) 6.194 19.466 ( -27.916 0.000 -0.010) 27.916 20.039 ( -33.707 0.000 11.277) 35.543 21.291 ( 2.056 0.000 4.603) 5.042 22.127 ( 4.366 0.000 -0.027) 4.366 24.023 ( 36.594 0.000 0.196) 36.595 ======================= Grid point 360 (171/224) ======================= q-point: ( 0.00 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( -1.266 30.854 18.748) 36.125 2.923 ( -1.021 38.922 21.618) 44.534 3.647 ( 1.423 6.705 -16.741) 18.089 4.352 ( 0.311 -15.790 -7.214) 17.362 5.652 ( -0.715 26.386 44.952) 52.128 6.439 ( -0.141 4.910 0.262) 4.919 7.260 ( -2.914 -0.862 -1.743) 3.503 7.467 ( 6.959 -3.868 -28.461) 29.554 7.731 ( -5.954 -2.580 -11.121) 12.876 7.880 ( 1.041 -8.096 0.444) 8.175 8.965 ( 1.485 16.448 -3.370) 16.855 9.293 ( 4.176 2.964 0.357) 5.134 9.666 ( -5.609 4.863 -2.060) 7.704 9.807 ( 2.609 -4.676 -1.188) 5.485 9.910 ( 0.661 -5.474 0.681) 5.556 10.231 ( 3.756 12.888 3.549) 13.885 10.399 ( -5.466 13.333 -2.928) 14.704 11.477 ( 0.320 9.747 1.177) 9.823 11.654 ( -0.723 -5.165 -0.200) 5.219 12.051 ( 0.501 4.346 -1.922) 4.778 13.000 ( 0.794 0.893 1.044) 1.587 13.186 ( -0.636 0.893 -0.546) 1.225 13.329 ( -3.731 4.342 1.755) 5.988 13.420 ( 1.958 -9.537 6.432) 11.669 13.972 ( -1.166 3.885 1.570) 4.349 14.223 ( 1.962 1.349 -0.537) 2.442 14.357 ( -0.339 9.330 0.639) 9.358 15.349 ( -0.578 -5.906 -0.775) 5.984 15.578 ( 1.066 0.484 -0.932) 1.497 16.245 ( 0.437 23.830 0.395) 23.838 16.963 ( 18.115 1.551 8.088) 19.899 17.144 ( -19.724 -0.455 -7.987) 21.285 18.006 ( -0.425 -10.765 -4.918) 11.843 18.264 ( 7.219 -36.670 -0.464) 37.377 18.278 ( -10.853 -34.477 -0.767) 36.153 18.511 ( 0.056 -4.240 1.129) 4.388 18.899 ( 0.190 -4.119 -0.304) 4.134 19.733 ( -6.786 27.442 1.630) 28.315 19.933 ( 11.940 23.121 -2.099) 26.107 21.683 ( 0.581 29.720 3.794) 29.967 22.032 ( -0.087 -12.153 -0.833) 12.182 24.149 ( -0.124 -23.279 0.594) 23.287 ======================= Grid point 361 (172/224) ======================= q-point: ( 0.11 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.982 ( 29.706 22.288 13.336) 39.459 3.433 ( 47.573 31.531 21.590) 61.020 3.841 ( 25.834 8.698 -18.256) 32.807 4.353 ( 3.918 -16.867 -9.154) 19.587 5.803 ( 0.145 25.091 34.582) 42.726 6.387 ( -4.828 3.010 -0.851) 5.753 7.106 ( -11.225 4.749 0.185) 12.190 7.252 ( -11.903 -2.406 -24.355) 27.215 7.872 ( -1.158 -7.610 -1.585) 7.859 8.074 ( 34.795 -3.132 -0.705) 34.943 8.905 ( -8.065 15.650 -2.893) 17.842 9.126 ( -13.582 1.402 -4.267) 14.306 9.441 ( -26.486 -1.486 -4.998) 26.994 9.647 ( -9.665 5.459 -3.532) 11.649 9.787 ( 10.656 5.388 6.913) 13.797 10.605 ( 18.861 0.790 -3.430) 19.187 10.714 ( 23.570 9.750 6.081) 26.222 11.546 ( 5.142 2.762 -0.693) 5.878 11.664 ( 3.542 1.137 1.963) 4.206 12.199 ( 14.747 5.629 -1.930) 15.903 13.100 ( 1.145 -1.310 -0.061) 1.741 13.193 ( -0.155 -0.352 3.317) 3.339 13.265 ( -2.918 1.138 1.512) 3.477 13.420 ( 6.017 4.853 4.943) 9.175 13.767 ( -9.382 7.316 -0.245) 11.900 14.389 ( 4.929 4.467 1.196) 6.758 14.781 ( 33.885 -11.375 -2.894) 35.861 15.428 ( 9.210 -2.051 0.822) 9.471 15.537 ( -4.925 0.466 -2.862) 5.716 16.226 ( -1.853 22.190 -0.823) 22.282 16.761 ( -13.390 1.473 -6.710) 15.050 17.323 ( 11.568 0.585 9.983) 15.291 17.837 ( -19.275 -30.109 -1.340) 35.775 18.039 ( -8.792 -12.727 3.009) 15.759 18.058 ( -23.132 -25.593 2.210) 34.569 18.552 ( 3.415 -8.267 -2.266) 9.227 18.842 ( -3.635 2.208 0.068) 4.254 19.735 ( 11.390 19.210 0.718) 22.344 20.450 ( 31.599 14.310 -8.372) 35.684 21.677 ( -1.945 29.785 1.406) 29.881 21.972 ( -5.800 -14.062 -0.719) 15.228 23.811 ( -32.084 -18.910 0.628) 37.247 ======================= Grid point 362 (173/224) ======================= q-point: ( 0.22 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.618 ( 32.025 19.042 5.128) 37.609 4.189 ( 24.734 5.303 2.457) 25.415 4.421 ( 9.479 -19.555 -2.067) 21.829 4.964 ( 71.078 21.259 -2.977) 74.249 5.964 ( 6.054 21.252 16.083) 27.331 6.243 ( -8.948 -0.491 -1.277) 9.052 6.818 ( -14.209 12.755 -4.731) 19.671 6.969 ( -10.940 1.185 1.502) 11.106 7.805 ( -3.286 -5.355 -1.293) 6.415 8.489 ( -22.622 7.637 1.127) 23.903 8.795 ( -2.132 -4.417 -9.355) 10.563 8.945 ( -0.797 6.768 -3.699) 7.754 9.191 ( 32.478 0.073 -4.173) 32.745 9.458 ( -6.823 10.113 -5.629) 13.436 10.086 ( 14.917 3.687 7.584) 17.136 10.962 ( 15.775 -6.447 -2.660) 17.248 11.018 ( 4.104 9.075 6.820) 12.071 11.551 ( -1.656 -4.765 -0.884) 5.122 11.976 ( 23.198 9.369 2.223) 25.117 12.567 ( 18.912 6.946 -0.967) 20.170 12.931 ( -9.484 -1.609 -0.894) 9.661 13.108 ( -6.149 2.025 0.697) 6.511 13.271 ( -12.974 8.602 1.083) 15.605 13.581 ( 11.070 4.083 -0.609) 11.815 13.815 ( 13.963 10.312 7.003) 18.717 14.560 ( 10.964 -0.491 0.923) 11.014 15.267 ( 15.686 -19.989 -2.943) 25.579 15.318 ( -13.424 0.580 -2.990) 13.766 15.765 ( 17.482 1.680 1.639) 17.638 16.221 ( 3.787 16.525 -2.270) 17.105 16.577 ( -4.635 1.272 -4.305) 6.452 17.166 ( -32.522 -8.496 4.575) 33.924 17.405 ( -21.240 -33.219 -0.526) 39.433 17.717 ( 0.347 -10.879 6.410) 12.632 18.023 ( -1.853 -3.447 5.236) 6.537 18.572 ( 0.971 -4.869 -4.886) 6.965 18.805 ( -0.130 2.432 5.789) 6.281 20.089 ( 21.165 7.217 0.117) 22.361 21.010 ( 27.283 9.597 -11.207) 31.017 21.636 ( -1.450 28.268 -2.258) 28.395 21.779 ( -14.116 -19.749 -0.135) 24.276 22.990 ( -46.314 -7.729 0.197) 46.955 ======================= Grid point 363 (174/224) ======================= q-point: ( 0.33 0.08 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.256 ( 29.064 12.732 -5.552) 32.212 4.614 ( 15.214 -6.087 -0.656) 16.400 4.681 ( 18.233 -2.497 2.425) 18.562 5.816 ( -5.689 3.959 26.411) 27.305 6.093 ( -2.916 -0.742 3.700) 4.769 6.174 ( 12.348 11.201 -27.397) 32.070 6.690 ( 1.115 16.311 11.675) 20.090 6.956 ( 14.415 7.081 2.543) 16.260 7.758 ( -8.266 -0.257 -0.224) 8.273 8.133 ( 5.504 12.240 6.376) 14.859 8.531 ( -8.001 -4.529 -20.599) 22.558 8.891 ( -1.567 10.165 -3.889) 10.996 9.314 ( -4.876 11.091 -5.133) 13.159 10.221 ( 46.099 -6.634 0.518) 46.577 10.454 ( 24.196 3.177 4.426) 24.802 10.916 ( -14.603 11.661 8.613) 20.577 11.148 ( 0.220 -8.503 -0.579) 8.526 11.592 ( 8.000 -3.280 -2.214) 8.925 12.352 ( 2.756 4.363 1.410) 5.350 12.587 ( -2.474 2.594 0.438) 3.611 12.853 ( -14.951 -0.540 -0.344) 14.964 13.079 ( 0.705 15.221 -1.594) 15.321 13.182 ( 22.338 10.164 0.354) 24.544 13.750 ( 2.880 1.516 0.354) 3.274 14.091 ( 6.474 12.538 7.671) 16.061 14.682 ( -4.326 1.292 -1.610) 4.793 15.131 ( 0.309 -0.914 -1.612) 1.879 15.504 ( 9.797 -15.989 -1.986) 18.857 15.914 ( 0.218 0.326 -3.375) 3.398 16.239 ( -14.540 0.691 -2.974) 14.857 16.322 ( -12.125 -1.011 11.270) 16.584 16.904 ( 12.672 -0.931 -8.304) 15.179 17.010 ( -17.002 -33.815 -0.615) 37.854 17.747 ( -3.763 -4.352 6.569) 8.732 17.967 ( -4.211 -1.320 2.270) 4.963 18.590 ( 2.340 -3.214 -2.240) 4.563 18.927 ( 9.206 -1.059 14.169) 16.930 20.518 ( 20.753 1.926 0.027) 20.842 21.310 ( -30.483 -25.674 -7.143) 40.489 21.404 ( 12.225 10.031 -8.629) 18.015 21.655 ( 5.366 18.676 -4.910) 20.042 22.163 ( -31.833 7.348 2.032) 32.733 ======================= Grid point 364 (175/224) ======================= q-point: ( 0.44 0.08 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.587 ( 4.367 3.894 -6.940) 9.078 4.847 ( 1.973 0.379 4.018) 4.493 4.991 ( 9.445 2.696 10.530) 14.400 5.690 ( -3.494 2.056 14.493) 15.049 6.055 ( -1.163 -2.659 1.970) 3.507 6.138 ( -1.976 6.177 -14.691) 16.059 6.855 ( 11.883 15.323 2.779) 19.589 7.063 ( -7.656 -7.121 3.092) 10.903 7.555 ( -2.446 13.298 7.483) 15.454 8.251 ( -6.769 -4.543 -24.502) 25.823 8.840 ( 2.305 10.061 -1.387) 10.414 9.050 ( 52.068 16.340 -3.308) 54.672 9.230 ( 2.350 11.150 -0.668) 11.415 10.167 ( -46.876 12.355 5.417) 48.779 10.681 ( 12.141 -2.660 3.902) 13.027 11.040 ( -8.193 -6.436 -0.037) 10.418 11.473 ( 40.735 -5.092 2.608) 41.135 11.764 ( 6.663 -3.871 -1.231) 7.804 12.203 ( -8.055 -2.704 1.217) 8.583 12.528 ( -15.182 -1.133 -3.138) 15.545 12.693 ( 6.463 6.679 2.343) 9.585 13.107 ( -4.083 24.838 0.591) 25.179 13.524 ( 3.609 11.674 4.345) 12.968 13.830 ( 14.956 3.881 -0.760) 15.470 14.093 ( -4.676 5.450 0.317) 7.189 14.443 ( -15.904 0.392 -2.414) 16.091 15.196 ( 4.012 -0.300 4.848) 6.300 15.618 ( 2.089 -9.380 -1.654) 9.751 15.904 ( -4.091 0.477 -5.570) 6.927 16.002 ( -2.025 -6.419 6.144) 9.113 16.202 ( -2.484 -1.069 -1.260) 2.984 16.759 ( -6.828 -33.432 -0.985) 34.136 17.219 ( 15.852 1.589 -3.784) 16.375 17.576 ( -12.341 -0.287 2.536) 12.603 17.939 ( 0.283 -2.488 0.786) 2.624 18.628 ( 1.486 -2.638 -0.588) 3.085 19.295 ( 20.089 -4.923 18.997) 28.084 20.546 ( -35.451 -23.923 -8.964) 43.697 20.871 ( 12.542 -0.115 -1.429) 12.624 21.481 ( -2.765 14.436 7.897) 16.685 21.656 ( -9.963 6.454 -3.080) 12.264 21.905 ( 10.196 12.804 -15.685) 22.669 ======================= Grid point 365 (176/224) ======================= q-point: (-0.44 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.381 ( -22.914 -0.818 12.871) 26.294 4.703 ( -17.804 7.574 19.404) 27.402 5.112 ( -0.333 1.332 -3.389) 3.657 5.692 ( -7.940 8.833 9.021) 14.914 6.090 ( 0.219 -1.790 -4.617) 4.957 6.155 ( 16.427 3.241 -9.592) 19.296 6.971 ( 4.294 0.970 -10.301) 11.202 7.167 ( 16.114 -1.184 -1.805) 16.258 7.674 ( 4.320 15.228 11.306) 19.452 7.983 ( -9.945 1.279 -15.099) 18.125 8.831 ( -1.114 9.825 -0.803) 9.921 8.973 ( -37.366 8.033 3.334) 38.365 9.296 ( -13.083 14.530 -5.541) 20.322 10.232 ( 48.683 12.799 -0.968) 50.346 10.739 ( -10.264 -4.843 -1.421) 11.437 11.005 ( 6.874 -4.919 3.191) 9.035 11.485 ( -41.097 -3.702 1.266) 41.283 11.753 ( -7.275 -2.387 -0.169) 7.659 12.152 ( 2.707 -3.439 7.254) 8.472 12.476 ( 12.668 -0.671 0.279) 12.688 12.718 ( -4.275 5.016 0.441) 6.605 13.125 ( 2.273 23.808 -0.954) 23.936 13.607 ( 2.197 11.138 -3.402) 11.851 13.830 ( -15.928 4.116 -0.904) 16.476 14.063 ( 5.079 5.693 3.134) 8.248 14.412 ( 15.047 0.689 0.412) 15.069 15.254 ( -4.394 1.746 1.288) 4.900 15.579 ( -3.396 -4.934 0.665) 6.027 15.821 ( -4.605 -4.417 2.788) 6.963 15.908 ( -0.481 -7.014 7.466) 10.255 16.368 ( 14.610 -0.533 -9.857) 17.633 16.752 ( 6.540 -33.779 -0.442) 34.410 17.143 ( -19.371 0.837 2.758) 19.584 17.641 ( 15.402 2.213 -2.976) 15.842 17.956 ( 1.220 -3.413 -1.228) 3.827 18.630 ( -1.129 -3.016 -0.887) 3.340 19.604 ( -9.092 -8.851 -5.855) 13.974 20.196 ( 15.572 -16.843 17.640) 28.937 20.888 ( -10.545 0.365 -2.239) 10.786 21.378 ( -10.887 12.182 12.605) 20.635 21.611 ( 6.619 5.358 -0.930) 8.567 22.080 ( 14.536 11.360 -23.706) 30.039 ======================= Grid point 366 (177/224) ======================= q-point: (-0.33 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.891 ( -31.842 1.500 22.374) 38.946 4.371 ( -22.755 7.054 24.913) 34.470 4.921 ( -14.118 -2.326 -13.412) 19.612 5.523 ( -12.050 18.472 19.697) 29.570 6.124 ( 3.908 -2.442 -0.124) 4.610 6.442 ( -3.040 6.946 -22.484) 23.728 6.871 ( -28.955 9.030 -5.386) 30.805 7.095 ( 6.696 3.248 -10.033) 12.491 7.783 ( 15.599 0.243 0.540) 15.611 8.102 ( 12.937 8.567 16.811) 22.878 8.405 ( -1.853 0.856 -17.722) 17.839 8.845 ( 1.406 9.406 0.334) 9.516 9.273 ( 3.686 11.335 -1.405) 12.002 10.216 ( -51.950 -5.471 0.443) 52.239 10.530 ( -15.532 0.470 -2.219) 15.697 11.051 ( 12.527 11.003 -3.910) 17.126 11.121 ( -0.364 -6.306 1.799) 6.568 11.553 ( -8.507 -1.537 1.154) 8.721 12.305 ( 5.343 0.602 7.070) 8.882 12.585 ( -9.863 4.768 1.079) 11.008 12.787 ( 15.286 0.746 4.181) 15.865 13.054 ( -1.491 13.225 0.478) 13.317 13.214 ( -23.296 8.146 -2.523) 24.807 13.754 ( -6.101 -0.160 0.282) 6.110 14.205 ( -0.307 17.280 -2.590) 17.476 14.644 ( 3.848 1.677 2.093) 4.690 15.096 ( -3.883 1.154 0.970) 4.165 15.464 ( -9.349 -16.352 1.574) 18.901 15.820 ( 3.961 -0.247 5.528) 6.805 16.167 ( 17.597 0.820 2.999) 17.869 16.613 ( 12.079 -3.664 -14.754) 19.417 16.738 ( -14.922 1.266 7.099) 16.573 17.000 ( 17.082 -34.459 0.318) 38.462 17.904 ( 7.837 -2.124 -8.457) 11.724 17.981 ( 5.090 -1.226 1.351) 5.407 18.584 ( -2.581 -4.032 -1.963) 5.174 19.239 ( -15.240 -8.510 -13.563) 22.105 20.512 ( -18.567 2.131 1.369) 18.739 20.892 ( 25.821 -6.386 23.951) 35.793 21.155 ( -15.006 9.798 10.419) 20.730 21.759 ( 7.269 4.328 -4.970) 9.811 22.377 ( 26.367 7.061 -17.364) 32.352 ======================= Grid point 367 (178/224) ======================= q-point: (-0.22 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.333 ( -32.417 11.363 25.207) 42.607 3.993 ( -27.071 5.636 22.503) 35.651 4.554 ( -15.371 -8.586 -8.942) 19.746 5.134 ( -61.139 19.022 -15.318) 65.837 5.492 ( -17.876 27.551 34.015) 47.282 6.272 ( 6.576 2.219 1.261) 7.054 7.011 ( 17.486 -1.554 -18.189) 25.279 7.255 ( 12.593 3.526 -13.828) 19.032 7.892 ( -1.157 -2.630 -3.894) 4.839 8.478 ( 16.745 3.477 1.954) 17.214 8.686 ( 24.344 0.047 -2.855) 24.511 8.912 ( 6.037 7.127 -0.974) 9.391 9.137 ( -43.964 0.089 0.833) 43.972 9.394 ( 6.995 10.352 -0.481) 12.503 10.224 ( -14.059 1.915 -4.968) 15.033 10.906 ( -17.933 -6.695 2.239) 19.273 11.132 ( -4.901 9.808 -3.657) 11.558 11.516 ( 1.583 -3.693 2.152) 4.558 12.011 ( -23.525 9.855 -1.143) 25.531 12.576 ( -16.097 5.241 -0.767) 16.946 12.803 ( 6.399 -0.742 11.505) 13.186 13.069 ( 7.094 1.180 2.438) 7.594 13.269 ( 9.268 8.002 1.631) 12.353 13.569 ( -6.792 2.888 0.723) 7.416 13.946 ( -19.119 12.424 -4.896) 23.321 14.551 ( -9.244 0.628 1.896) 9.457 15.196 ( -5.290 -8.340 2.442) 10.174 15.296 ( 4.475 -10.599 -0.171) 11.506 15.833 ( -10.635 2.067 -3.459) 11.373 16.209 ( -10.033 12.830 -2.312) 16.451 16.469 ( 2.879 5.541 5.213) 8.134 17.260 ( 38.324 -12.451 -3.797) 40.474 17.398 ( 21.658 -32.567 0.045) 39.111 17.858 ( -2.902 -10.032 -7.891) 13.089 18.164 ( 7.623 0.161 -4.561) 8.885 18.517 ( -2.986 -6.314 -1.256) 7.097 18.957 ( -7.940 -3.878 -8.179) 12.041 20.093 ( -20.896 7.818 -0.382) 22.314 20.761 ( -24.291 14.083 11.154) 30.213 21.426 ( 13.058 9.884 13.902) 21.482 21.873 ( 7.082 -3.482 -5.254) 9.480 23.036 ( 41.539 -6.409 -3.971) 42.217 ======================= Grid point 368 (179/224) ======================= q-point: (-0.11 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( -28.432 19.782 23.512) 41.864 3.313 ( -48.042 28.489 25.912) 61.572 3.955 ( -27.145 9.436 -22.309) 36.381 4.404 ( -4.725 -11.353 -5.157) 13.335 5.499 ( -2.964 28.087 42.048) 50.653 6.392 ( 4.285 4.447 1.283) 6.307 7.205 ( 8.162 -3.346 -8.591) 12.314 7.433 ( 10.721 1.553 -26.656) 28.773 7.842 ( -2.883 -5.550 4.359) 7.623 8.167 ( -27.481 -6.071 -12.423) 30.764 8.894 ( 6.628 15.474 -1.764) 16.926 9.064 ( 14.872 2.116 1.504) 15.097 9.347 ( 29.763 2.067 1.916) 29.896 9.611 ( 14.101 3.116 0.045) 14.441 9.930 ( -12.802 3.553 -6.120) 14.627 10.521 ( -20.345 -0.090 3.943) 20.724 10.825 ( -23.421 11.163 -4.057) 26.261 11.515 ( -3.550 1.094 2.149) 4.291 11.698 ( -5.328 3.911 -1.392) 6.754 12.200 ( -14.446 4.644 -2.047) 15.311 13.068 ( 1.974 -2.492 5.362) 6.233 13.179 ( -0.816 -1.540 4.461) 4.789 13.202 ( 5.651 1.746 5.256) 7.913 13.515 ( -13.842 5.667 -3.880) 15.452 13.754 ( 10.256 7.463 1.035) 12.726 14.404 ( -5.170 5.699 0.080) 7.695 14.757 ( -32.929 -12.217 -1.032) 35.138 15.470 ( -11.371 -0.555 -3.248) 11.839 15.503 ( 6.261 0.329 0.237) 6.274 16.200 ( 3.373 21.178 1.456) 21.494 16.621 ( 11.241 4.013 5.844) 13.289 17.519 ( -11.773 -1.867 -8.179) 14.456 17.824 ( 20.043 -31.940 0.256) 37.708 18.118 ( 21.777 -22.967 -3.995) 31.902 18.192 ( 5.174 -12.836 -10.425) 17.327 18.501 ( -0.025 -8.260 2.621) 8.665 18.859 ( -0.047 -1.885 -1.483) 2.399 19.753 ( -9.886 19.986 -0.960) 22.318 20.270 ( -27.482 18.167 7.956) 33.891 21.617 ( 4.121 25.861 6.616) 27.010 21.987 ( 4.894 -10.639 -1.838) 11.853 23.812 ( 31.549 -18.923 0.776) 36.797 ======================= Grid point 369 (180/224) ======================= q-point: ( 0.00 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.208 ( 0.614 39.098 21.648) 44.695 3.618 ( -2.723 16.210 37.538) 40.979 3.866 ( 0.125 15.925 -21.606) 26.841 4.359 ( 1.794 25.808 -30.320) 39.857 6.135 ( -1.254 18.721 35.507) 40.160 6.579 ( 0.365 8.107 -4.228) 9.150 7.211 ( 0.237 -0.348 2.969) 2.999 7.523 ( 0.851 7.594 -14.178) 16.106 7.651 ( 3.371 -11.097 -2.759) 11.922 7.725 ( -4.913 1.213 -10.115) 11.311 9.271 ( 2.469 5.175 -0.162) 5.736 9.423 ( -0.005 15.979 -3.593) 16.378 9.711 ( 2.169 -4.354 -1.437) 5.072 9.848 ( -1.561 12.330 -0.950) 12.465 9.936 ( 0.140 8.559 1.063) 8.626 10.487 ( 9.163 11.244 5.107) 15.378 10.650 ( -10.424 10.976 -4.989) 15.939 11.463 ( 0.259 -13.008 -1.858) 13.142 11.734 ( -1.318 13.828 1.026) 13.929 12.138 ( 1.305 3.586 -1.625) 4.148 13.011 ( 2.208 -0.979 1.507) 2.847 13.193 ( 2.796 -4.499 5.255) 7.462 13.221 ( -5.428 -2.409 3.595) 6.942 13.430 ( -0.712 3.235 0.871) 3.425 14.113 ( -2.646 9.600 -0.998) 10.008 14.263 ( 2.889 2.647 -0.713) 3.983 14.654 ( -0.660 19.073 0.322) 19.087 15.324 ( -0.533 1.776 -2.872) 3.418 15.622 ( 0.792 4.137 -1.620) 4.513 16.687 ( 0.691 19.011 0.940) 19.047 16.957 ( 13.912 -6.641 4.954) 16.192 17.072 ( -14.841 -11.196 -4.543) 19.138 17.494 ( 12.111 -27.354 3.370) 30.105 17.576 ( -12.981 -23.418 -3.584) 27.014 17.834 ( -3.106 -14.731 -7.368) 16.761 18.397 ( -0.519 -6.781 1.581) 6.982 18.780 ( 2.374 -7.269 -0.495) 7.663 20.216 ( -6.356 19.313 1.039) 20.359 20.356 ( 8.899 17.625 -1.329) 19.789 21.663 ( 0.117 -18.557 3.694) 18.921 22.407 ( 0.449 32.943 2.038) 33.009 23.569 ( -0.173 -30.883 -0.398) 30.886 ======================= Grid point 370 (181/224) ======================= q-point: ( 0.11 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.595 ( 20.683 31.392 24.465) 44.853 3.887 ( 16.028 8.478 22.537) 28.925 3.967 ( 13.901 6.246 -20.897) 25.864 4.525 ( 33.461 36.844 -22.513) 54.626 6.228 ( -2.799 13.474 27.752) 30.977 6.503 ( -4.937 8.370 -6.514) 11.699 7.161 ( -6.624 3.739 9.070) 11.837 7.373 ( -8.542 11.180 -17.217) 22.235 7.703 ( 3.301 -4.985 -6.428) 8.779 8.011 ( 32.491 -3.156 0.409) 32.647 9.147 ( -16.476 2.879 -0.168) 16.727 9.296 ( -4.932 17.761 -5.342) 19.192 9.467 ( -27.611 5.216 -3.109) 28.270 9.734 ( -0.171 3.566 -3.499) 4.999 9.981 ( 7.403 13.152 3.488) 15.490 10.649 ( 8.803 3.410 -4.857) 10.617 10.940 ( 21.945 10.915 7.035) 25.499 11.433 ( -1.262 -10.784 -1.199) 10.924 11.804 ( 8.690 8.752 1.773) 12.460 12.331 ( 17.724 6.536 -2.447) 19.049 13.057 ( -5.343 -4.434 1.383) 7.080 13.137 ( -0.189 -2.631 2.637) 3.730 13.318 ( 7.619 3.635 1.765) 8.625 13.564 ( 15.208 7.759 3.488) 17.426 13.945 ( -6.240 9.000 0.487) 10.962 14.546 ( 6.185 4.253 -0.062) 7.506 14.651 ( 9.555 6.947 -0.399) 11.820 15.446 ( 11.614 2.131 -0.412) 11.815 15.601 ( -1.327 5.661 -2.944) 6.518 16.575 ( -10.323 8.588 -2.378) 13.637 16.797 ( -8.871 -1.075 -1.792) 9.114 17.163 ( -21.328 -23.591 -2.666) 31.915 17.273 ( 9.465 -17.251 4.771) 20.247 17.452 ( -18.246 -18.243 4.476) 26.187 17.841 ( 3.646 -9.766 1.341) 10.511 18.389 ( 1.448 -8.456 -0.640) 8.603 18.804 ( 0.093 -4.996 -2.242) 5.477 20.103 ( 0.957 15.609 1.062) 15.675 20.764 ( 25.549 14.781 -5.620) 30.047 21.587 ( -9.184 -20.126 2.417) 22.254 22.377 ( -3.723 33.035 0.515) 33.249 23.327 ( -22.654 -26.811 -0.800) 35.109 ======================= Grid point 371 (182/224) ======================= q-point: ( 0.22 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.053 ( 13.513 -3.303 22.794) 26.703 4.186 ( 22.101 23.801 -21.041) 38.699 4.349 ( 23.750 10.275 1.548) 25.923 5.485 ( 53.742 26.837 -0.609) 60.073 6.188 ( -10.513 2.391 11.718) 15.923 6.398 ( -1.575 11.540 -4.481) 12.479 7.046 ( -6.491 6.299 0.860) 9.085 7.158 ( -7.253 18.916 2.492) 20.411 7.747 ( 4.782 3.416 -4.643) 7.490 8.616 ( 1.596 3.075 -1.872) 3.938 8.783 ( -22.605 4.507 -3.363) 23.293 9.058 ( 16.385 3.620 -1.552) 16.851 9.297 ( 10.528 10.527 -5.553) 15.890 9.672 ( -3.885 10.516 -4.522) 12.088 10.199 ( 11.918 7.374 4.858) 14.833 10.840 ( 9.898 -4.789 -3.728) 11.610 11.227 ( 4.326 9.651 6.800) 12.574 11.419 ( 0.894 -8.133 -0.758) 8.217 12.151 ( 22.560 7.192 2.244) 23.785 12.723 ( 12.979 6.325 -1.216) 14.490 12.905 ( -0.198 -1.033 -0.767) 1.302 13.111 ( -3.705 -0.392 0.986) 3.853 13.496 ( 2.921 10.353 -0.915) 10.796 13.719 ( -3.002 11.185 -0.287) 11.585 14.111 ( 23.430 15.061 6.555) 28.614 14.584 ( 5.309 4.729 3.522) 7.934 14.939 ( 13.303 -9.754 -1.647) 16.578 15.403 ( -10.549 6.183 -2.642) 12.509 15.816 ( 14.195 3.235 0.563) 14.570 16.407 ( -3.873 -0.425 -3.389) 5.164 16.571 ( -15.773 -23.593 -0.786) 28.390 16.685 ( -28.234 -12.793 0.716) 31.006 16.953 ( -17.448 -9.048 -0.379) 19.658 17.503 ( 7.380 -9.238 5.274) 12.947 17.914 ( 0.758 -5.913 7.092) 9.264 18.435 ( 3.359 -8.207 -3.752) 9.629 18.783 ( -0.890 -4.493 0.776) 4.646 20.263 ( 13.327 8.691 0.627) 15.922 21.240 ( 22.556 10.874 -7.291) 26.080 21.293 ( -20.560 -24.270 0.141) 31.808 22.279 ( -5.314 30.880 -1.682) 31.379 22.753 ( -31.192 -15.264 -0.696) 34.733 ======================= Grid point 372 (183/224) ======================= q-point: ( 0.33 0.15 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.361 ( 17.781 -8.301 -9.789) 21.929 4.645 ( 20.667 21.116 7.214) 30.414 4.819 ( 22.161 10.401 -1.488) 24.526 5.876 ( -15.107 1.963 17.092) 22.895 6.160 ( -1.856 8.066 9.659) 12.720 6.385 ( 2.993 7.937 -16.985) 18.985 6.980 ( -2.394 6.235 3.787) 7.678 7.181 ( 6.690 18.168 0.429) 19.365 7.922 ( 6.362 16.117 -1.517) 17.393 8.295 ( -7.705 3.148 -5.535) 9.995 8.623 ( 13.128 15.043 -2.651) 20.141 9.146 ( -0.191 13.671 -4.797) 14.489 9.565 ( -4.209 12.622 -5.128) 14.259 10.095 ( 42.365 -5.059 0.080) 42.666 10.503 ( 19.695 1.754 2.408) 19.919 10.941 ( 0.850 -7.872 -0.875) 7.966 11.215 ( -7.417 12.300 9.486) 17.212 11.517 ( 8.768 -3.523 -1.907) 9.639 12.424 ( -5.500 1.654 -1.111) 5.849 12.674 ( 1.241 5.494 0.663) 5.671 12.872 ( -15.233 3.728 0.897) 15.708 13.372 ( 25.874 4.396 -2.268) 26.342 13.405 ( 5.106 15.118 -1.413) 16.019 13.788 ( 2.933 4.756 -1.038) 5.684 14.515 ( 5.448 26.492 9.925) 28.810 14.729 ( 0.458 4.278 0.740) 4.366 15.088 ( 1.994 -3.620 1.600) 4.432 15.288 ( 5.495 -3.054 -3.053) 6.989 15.817 ( -13.100 -12.056 -2.899) 18.038 16.105 ( -13.149 -6.483 4.536) 15.346 16.224 ( -14.998 -38.982 -1.368) 41.790 16.433 ( -5.992 7.045 -0.215) 9.251 16.909 ( 12.743 1.357 -5.675) 14.016 17.623 ( 1.211 -7.123 6.114) 9.465 17.895 ( -4.645 -5.321 5.572) 8.997 18.495 ( 3.980 -5.958 -3.066) 7.793 18.827 ( 5.230 -8.606 6.370) 11.916 20.581 ( 16.601 3.570 1.079) 17.015 20.709 ( -34.799 -29.548 -2.483) 45.719 21.613 ( 15.334 9.637 -7.689) 19.676 22.122 ( -13.495 12.823 -13.286) 22.870 22.246 ( -12.632 10.116 9.041) 18.538 ======================= Grid point 373 (184/224) ======================= q-point: ( 0.44 0.15 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.647 ( 9.533 0.755 -10.817) 14.438 4.874 ( -1.178 4.534 7.516) 8.856 5.146 ( 6.838 11.438 6.632) 14.885 5.758 ( 1.024 4.926 14.059) 14.932 6.095 ( 0.178 7.291 2.854) 7.831 6.317 ( -2.517 9.798 -10.159) 14.337 6.859 ( -11.229 -3.867 9.409) 15.152 7.266 ( 5.417 14.988 -13.723) 21.031 7.832 ( -3.920 13.662 8.526) 16.575 8.230 ( -1.123 4.829 -14.384) 15.215 9.110 ( 0.141 15.029 -1.955) 15.156 9.442 ( 18.746 18.052 -9.114) 27.575 9.520 ( 34.452 17.393 3.586) 38.760 10.372 ( -22.740 3.578 3.208) 23.243 10.665 ( -2.737 1.652 -0.260) 3.208 10.958 ( -3.746 2.086 3.855) 5.766 11.410 ( 27.108 0.463 5.251) 27.616 11.682 ( 6.253 -3.668 0.401) 7.260 12.166 ( -11.837 -1.426 -4.526) 12.753 12.486 ( -13.698 -2.304 0.029) 13.891 12.878 ( 11.223 9.554 0.245) 14.741 13.549 ( 0.504 12.996 0.546) 13.018 13.771 ( 0.807 7.873 2.477) 8.293 13.942 ( 27.709 10.172 -1.743) 29.568 14.243 ( -19.552 8.227 1.078) 21.240 14.495 ( -22.607 5.818 -1.592) 23.398 15.244 ( 9.939 5.879 7.460) 13.748 15.419 ( 4.737 -7.432 0.231) 8.816 15.803 ( 7.177 -16.594 0.953) 18.104 15.930 ( -8.881 -15.733 0.950) 18.091 16.010 ( -5.391 -6.875 -4.470) 9.813 16.250 ( -6.235 -0.567 -2.270) 6.659 17.244 ( 17.965 0.716 -3.791) 18.375 17.532 ( -11.461 -3.424 4.940) 12.941 17.855 ( -0.361 -5.619 2.341) 6.098 18.550 ( 1.766 -4.869 -1.022) 5.280 19.086 ( 17.367 -14.822 11.048) 25.364 19.977 ( -33.149 -29.660 -4.445) 44.703 20.887 ( 11.215 0.803 0.082) 11.244 21.693 ( -8.253 1.969 3.026) 9.008 21.840 ( -3.837 13.270 -6.877) 15.431 22.227 ( 5.997 17.280 -7.086) 19.615 ======================= Grid point 374 (185/224) ======================= q-point: (-0.44 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.404 ( -25.350 3.482 12.062) 28.289 4.905 ( -7.883 11.298 8.525) 16.201 5.151 ( -2.492 2.719 1.133) 3.858 5.903 ( 3.825 10.795 3.283) 11.914 6.137 ( -3.821 7.698 -1.788) 8.778 6.289 ( 10.494 9.216 -8.715) 16.462 6.847 ( 9.429 -5.481 9.369) 14.378 7.318 ( 5.775 7.101 -17.927) 20.128 7.920 ( 7.570 9.100 9.595) 15.238 8.124 ( -4.439 14.674 -13.321) 20.309 9.090 ( -1.292 14.385 -0.415) 14.449 9.283 ( -32.079 19.702 6.219) 38.156 9.608 ( -21.804 15.206 -4.537) 26.967 10.417 ( 22.114 0.671 -0.803) 22.138 10.655 ( -1.176 -2.746 -0.001) 2.987 11.006 ( 8.048 8.608 -0.025) 11.784 11.447 ( -23.182 1.547 1.158) 23.262 11.716 ( -6.251 -0.644 -1.522) 6.466 12.055 ( 4.253 -5.917 5.258) 8.986 12.470 ( 13.466 -0.114 0.873) 13.495 12.871 ( -10.540 8.400 1.088) 13.522 13.560 ( -2.095 13.771 -0.276) 13.932 13.803 ( -3.004 2.559 -0.521) 3.980 13.929 ( -27.450 9.520 -0.778) 29.064 14.251 ( 25.265 11.226 0.747) 27.657 14.478 ( 21.165 7.343 -0.319) 22.405 15.350 ( -6.624 6.944 -1.340) 9.690 15.418 ( -4.106 -6.294 0.611) 7.540 15.704 ( -12.566 -11.554 8.633) 19.129 15.878 ( 2.159 -0.023 2.099) 3.011 15.968 ( 6.560 -27.402 0.141) 28.176 16.375 ( 15.614 -1.131 -10.478) 18.838 17.155 ( -19.890 0.358 4.300) 20.352 17.642 ( 15.859 -1.833 -5.045) 16.743 17.861 ( -0.221 -5.594 1.523) 5.802 18.542 ( -2.308 -5.413 -0.293) 5.891 19.282 ( -14.874 -21.195 -5.912) 26.559 19.759 ( 25.227 -24.460 14.530) 38.025 20.909 ( -9.331 0.933 -1.875) 9.563 21.612 ( -2.938 6.315 8.027) 10.628 21.763 ( -0.220 10.617 -0.011) 10.620 22.358 ( 10.924 14.636 -16.318) 24.492 ======================= Grid point 375 (186/224) ======================= q-point: (-0.33 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.936 ( -26.673 3.828 22.484) 35.095 4.607 ( -22.983 14.683 16.419) 31.834 4.997 ( -12.295 9.491 -15.860) 22.198 5.897 ( -6.479 16.865 14.697) 23.290 6.104 ( 4.410 2.022 0.512) 4.879 6.574 ( 15.403 4.447 -21.446) 26.776 7.074 ( -9.283 10.225 -0.273) 13.813 7.183 ( -7.047 4.598 -3.752) 9.213 7.927 ( -5.325 13.010 -2.374) 14.257 8.203 ( 17.012 6.474 3.163) 18.475 8.615 ( -12.269 16.457 -1.163) 20.560 9.082 ( -0.040 12.849 1.030) 12.890 9.536 ( 2.339 13.469 -2.465) 13.891 10.103 ( -43.950 -4.648 -0.931) 44.205 10.517 ( -12.828 -1.744 1.309) 13.012 10.947 ( -4.959 -6.610 -1.698) 8.436 11.359 ( 4.718 13.243 -2.678) 14.311 11.518 ( -7.967 -1.448 -3.309) 8.748 12.300 ( 11.619 -1.137 10.658) 15.808 12.687 ( -8.382 4.365 -0.329) 9.456 12.851 ( 16.348 6.661 2.137) 17.782 13.313 ( -25.808 6.336 2.670) 26.708 13.400 ( -6.325 10.604 -0.491) 12.357 13.772 ( -5.673 4.437 0.660) 7.232 14.677 ( -1.790 15.860 -4.268) 16.522 14.737 ( 1.991 17.989 -0.218) 18.101 15.133 ( -4.719 0.703 -3.047) 5.661 15.210 ( -11.151 -3.313 4.034) 12.312 15.741 ( 14.806 -10.742 4.095) 18.745 16.106 ( 19.977 -4.465 3.581) 20.781 16.203 ( 15.746 -39.651 0.492) 42.666 16.572 ( 1.497 0.239 -12.112) 12.207 16.797 ( -10.120 4.506 5.060) 12.178 17.769 ( -1.982 -8.831 -8.002) 12.081 17.960 ( 10.457 -2.133 0.311) 10.677 18.468 ( -4.681 -7.082 -0.838) 8.530 18.974 ( -10.417 -16.553 -6.875) 20.731 20.465 ( 25.787 -19.443 16.529) 36.280 20.636 ( -7.718 -1.098 -0.878) 7.845 21.428 ( -16.158 13.926 7.779) 22.705 21.941 ( 12.158 6.900 4.697) 14.747 22.541 ( 15.423 10.361 -17.808) 25.736 ======================= Grid point 376 (187/224) ======================= q-point: (-0.22 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.562 ( -20.700 9.430 29.620) 37.347 4.182 ( -25.535 13.697 15.957) 33.079 4.614 ( -16.131 14.407 -21.453) 30.463 5.593 ( -43.047 22.914 -8.716) 49.538 6.043 ( -16.568 22.961 21.896) 35.793 6.364 ( 4.576 8.753 -0.357) 9.884 6.987 ( 10.817 0.149 -5.856) 12.302 7.350 ( 10.663 5.105 -6.140) 13.321 7.869 ( -1.921 2.251 -10.786) 11.184 8.525 ( 1.110 2.461 4.378) 5.143 8.774 ( 23.636 6.345 -1.375) 24.511 9.072 ( -7.967 7.248 -3.078) 11.202 9.200 ( -17.699 7.334 4.012) 19.574 9.642 ( 3.600 13.403 -2.569) 14.114 10.288 ( -10.510 4.453 -2.669) 11.722 10.776 ( -12.267 -5.193 1.632) 13.420 11.338 ( -4.437 6.640 -3.106) 8.569 11.432 ( -1.125 -3.172 -2.543) 4.218 12.186 ( -22.478 6.711 -0.994) 23.480 12.667 ( -1.958 1.314 7.453) 7.817 12.812 ( -12.440 2.421 4.830) 13.562 13.088 ( 5.792 1.183 2.286) 6.338 13.429 ( -8.549 5.913 4.905) 11.494 13.737 ( 9.828 14.525 -1.419) 17.594 14.237 ( -28.945 12.341 -5.068) 31.871 14.640 ( -4.494 10.573 -0.924) 11.526 14.902 ( -14.436 -10.508 1.406) 17.911 15.361 ( 12.125 7.473 1.075) 14.283 15.886 ( -7.908 3.288 -5.104) 9.969 16.344 ( -3.835 1.142 1.587) 4.305 16.561 ( 16.128 -24.568 -0.013) 29.388 16.671 ( 24.766 -8.959 1.934) 26.408 16.980 ( 24.350 -13.047 -2.457) 27.734 17.636 ( -7.115 -10.805 -8.051) 15.238 18.108 ( 3.222 -4.682 -8.597) 10.305 18.364 ( -4.056 -8.263 1.625) 9.347 18.814 ( -4.409 -9.767 -2.006) 10.902 20.279 ( -13.181 8.945 -0.763) 15.948 21.076 ( -21.447 15.141 6.860) 27.134 21.173 ( 23.975 -23.166 12.243) 35.515 22.183 ( 9.109 19.047 5.301) 21.769 22.882 ( 24.659 -6.021 -10.794) 27.583 ======================= Grid point 377 (188/224) ======================= q-point: (-0.11 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.334 ( -15.729 23.447 29.602) 40.907 3.752 ( -23.438 14.065 26.108) 37.799 4.187 ( -18.955 15.675 -22.993) 33.670 4.651 ( -26.243 33.434 -23.447) 48.541 6.024 ( -2.930 21.978 35.324) 41.706 6.514 ( 6.857 6.938 -1.684) 9.898 7.141 ( 5.764 -0.726 -1.202) 5.933 7.511 ( 9.267 2.843 -15.184) 18.015 7.730 ( -9.051 -1.414 -3.406) 9.774 8.057 ( -25.327 -4.266 -7.481) 26.751 9.144 ( 11.730 5.604 0.781) 13.023 9.241 ( 11.646 16.041 -0.186) 19.824 9.412 ( 30.146 4.913 1.431) 30.577 9.697 ( 1.488 6.126 -0.806) 6.355 10.074 ( -9.337 10.534 -4.575) 14.801 10.542 ( -10.540 2.229 4.720) 11.762 11.073 ( -21.333 11.454 -5.067) 24.738 11.434 ( 1.922 -9.193 -1.479) 9.508 11.835 ( -9.427 8.530 -1.059) 12.757 12.308 ( -17.023 5.266 -0.300) 17.822 12.984 ( 7.127 -5.889 9.650) 13.364 13.115 ( -4.680 -2.557 4.055) 6.699 13.277 ( -1.326 4.144 3.493) 5.580 13.655 ( -21.334 6.879 -3.946) 22.760 13.961 ( 7.861 11.917 -1.059) 14.316 14.564 ( -16.186 -2.628 -1.513) 16.468 14.636 ( -0.700 14.073 0.996) 14.125 15.480 ( -8.331 0.498 -2.565) 8.731 15.600 ( -2.037 8.471 -4.090) 9.625 16.505 ( 13.359 7.116 3.682) 15.577 16.758 ( 5.364 5.442 1.895) 7.873 17.109 ( 21.216 -27.460 2.284) 34.777 17.369 ( -6.721 -26.056 -4.329) 27.255 17.559 ( 14.061 -13.614 -5.644) 20.369 17.997 ( -6.749 -8.821 -12.635) 16.823 18.363 ( 1.517 -6.918 2.248) 7.430 18.758 ( -1.194 -7.418 1.917) 7.754 20.128 ( 0.082 15.665 -1.262) 15.716 20.648 ( -22.574 17.194 4.878) 28.793 21.546 ( 10.108 -19.897 6.647) 23.286 22.341 ( 4.950 29.251 3.479) 29.870 23.349 ( 20.956 -23.807 -2.617) 31.824 ======================= Grid point 378 (189/224) ======================= q-point: ( 0.00 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.767 ( 1.990 9.372 17.517) 19.965 3.887 ( -1.938 24.230 16.761) 29.526 4.397 ( -1.547 35.892 -17.987) 40.177 5.071 ( 1.640 32.442 -20.150) 38.226 6.410 ( -2.010 9.260 16.641) 19.150 6.682 ( 2.272 1.126 -10.353) 10.659 7.341 ( -2.535 -16.378 1.553) 16.646 7.426 ( -0.272 20.410 21.773) 29.845 7.601 ( 0.197 0.742 3.172) 3.264 7.993 ( 1.895 21.891 -22.364) 31.352 9.267 ( -0.893 -2.249 -0.033) 2.420 9.607 ( 2.768 -5.903 -0.622) 6.550 9.824 ( 0.554 20.102 -2.283) 20.239 10.171 ( 2.379 18.185 -0.901) 18.362 10.230 ( -2.199 18.955 0.553) 19.090 10.645 ( 9.994 1.696 3.495) 10.722 10.834 ( -10.237 7.314 -3.183) 12.978 11.214 ( -0.253 -6.583 -2.887) 7.193 11.998 ( -3.560 11.167 1.661) 11.837 12.187 ( 3.459 1.355 -1.687) 4.080 12.913 ( 1.746 -7.675 4.033) 8.845 13.129 ( 8.940 -0.905 6.907) 11.333 13.214 ( -11.645 -0.914 -0.615) 11.697 13.446 ( 0.176 -2.272 1.699) 2.842 14.303 ( -11.562 5.794 0.054) 12.933 14.344 ( 10.553 6.389 -3.367) 12.788 15.051 ( -1.393 16.310 1.581) 16.446 15.358 ( 1.184 0.609 -4.341) 4.541 15.740 ( -0.003 5.914 -3.906) 7.087 16.518 ( 7.105 -27.407 0.368) 28.315 16.579 ( -7.858 -23.894 -0.268) 25.154 17.083 ( -0.506 15.938 1.419) 16.009 17.233 ( 4.179 -10.569 -1.211) 11.430 17.466 ( 5.696 8.854 -1.403) 10.622 17.600 ( -11.662 -3.792 -6.226) 13.753 18.250 ( -1.740 -6.995 2.430) 7.607 18.615 ( 3.627 -8.381 -0.539) 9.148 20.512 ( -5.130 9.582 0.523) 10.882 20.639 ( 6.600 9.970 -0.611) 11.973 21.342 ( 0.055 -10.782 5.178) 11.961 22.764 ( 0.618 -16.323 15.692) 22.650 23.112 ( -0.322 3.525 -13.957) 14.399 ======================= Grid point 379 (190/224) ======================= q-point: ( 0.11 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.823 ( 1.833 5.567 12.349) 13.669 4.173 ( 18.352 17.143 6.953) 26.058 4.542 ( 17.764 39.025 -9.635) 43.947 5.263 ( 27.106 30.561 -11.794) 42.519 6.396 ( -6.159 5.123 11.869) 14.320 6.619 ( -3.534 1.554 -8.983) 9.778 7.234 ( -7.318 -6.988 4.346) 11.012 7.540 ( -0.189 18.949 21.513) 28.669 7.912 ( 24.603 5.564 -9.508) 26.957 7.979 ( 11.198 14.861 -12.977) 22.686 9.171 ( -9.030 0.098 2.200) 9.294 9.539 ( -7.236 2.270 -5.346) 9.278 9.677 ( -25.544 15.192 -2.944) 29.866 9.917 ( 0.346 17.189 -1.063) 17.225 10.281 ( 2.985 14.592 0.762) 14.913 10.718 ( 2.062 2.295 -5.961) 6.713 11.046 ( 13.098 -3.778 4.153) 14.251 11.288 ( 7.503 2.747 1.037) 8.057 11.959 ( 5.139 6.276 2.277) 8.425 12.441 ( 18.840 3.780 -2.352) 19.359 12.919 ( -5.754 -8.099 3.035) 10.388 13.114 ( 4.363 -0.084 -0.764) 4.430 13.393 ( 8.824 2.853 2.378) 9.574 13.664 ( 25.430 0.910 4.222) 25.794 14.118 ( -7.262 7.268 2.362) 10.543 14.545 ( 9.170 0.119 -1.802) 9.346 14.989 ( -4.689 16.450 1.843) 17.205 15.482 ( 9.515 0.751 -2.518) 9.871 15.744 ( 3.212 6.758 -2.809) 7.992 16.231 ( -17.971 -27.323 -1.384) 32.733 16.687 ( -3.807 -25.592 2.701) 26.014 16.830 ( -20.036 6.417 -2.396) 21.175 17.233 ( -1.313 -2.074 -2.747) 3.684 17.262 ( -8.600 6.266 0.666) 10.661 17.750 ( 7.747 2.695 4.327) 9.273 18.201 ( -1.146 -9.620 1.130) 9.754 18.671 ( 1.735 -7.261 -3.788) 8.371 20.353 ( -3.332 8.718 0.978) 9.384 21.006 ( 22.406 8.077 -3.478) 24.070 21.240 ( -12.082 -11.656 3.186) 17.087 22.701 ( -12.642 -24.062 10.342) 29.082 22.977 ( -6.708 14.547 -10.573) 19.193 ======================= Grid point 380 (191/224) ======================= q-point: ( 0.22 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.977 ( 10.715 2.138 3.253) 11.400 4.604 ( 23.006 14.674 0.644) 27.295 4.852 ( 15.198 32.773 -3.254) 36.272 5.974 ( 32.067 19.372 2.408) 37.542 6.242 ( -7.119 4.187 3.285) 8.888 6.521 ( -3.800 1.442 -3.019) 5.063 7.111 ( -5.312 -0.600 0.775) 5.401 7.582 ( -1.637 22.712 11.651) 25.579 8.045 ( 12.189 23.192 -13.439) 29.446 8.630 ( 26.198 -1.231 -2.809) 26.377 8.940 ( -24.739 9.772 0.769) 26.610 9.157 ( 6.724 6.745 -0.265) 9.527 9.519 ( 2.406 9.470 -5.969) 11.450 9.917 ( -1.525 14.868 -1.392) 15.010 10.374 ( 5.841 8.914 1.923) 10.830 10.768 ( 4.366 -2.112 -4.729) 6.775 11.240 ( 8.365 -7.090 -0.956) 11.007 11.372 ( 0.364 3.218 5.597) 6.466 12.276 ( 19.393 5.164 2.418) 20.213 12.718 ( -2.044 -5.798 0.561) 6.173 12.916 ( 17.659 -0.165 -2.875) 17.892 13.159 ( -0.820 6.550 0.559) 6.625 13.648 ( 14.697 5.215 -3.002) 15.881 13.983 ( -9.840 10.599 3.542) 14.890 14.315 ( 33.194 4.756 4.714) 33.863 14.694 ( 8.049 1.435 3.892) 9.055 14.933 ( 0.820 9.666 0.742) 9.729 15.554 ( -1.367 5.938 -0.828) 6.149 15.807 ( -21.306 -26.468 -0.997) 33.992 15.917 ( 6.940 0.386 -0.808) 6.998 16.267 ( -31.852 -15.537 2.916) 35.560 16.539 ( -6.474 -2.386 -4.022) 7.986 17.103 ( -8.038 16.496 0.403) 18.354 17.307 ( 7.761 -10.139 1.862) 12.903 17.836 ( -1.156 -0.946 6.995) 7.152 18.243 ( 4.935 -10.373 -2.265) 11.709 18.647 ( -2.121 -7.992 -3.301) 8.904 20.413 ( 8.133 5.573 0.682) 9.883 20.859 ( -26.931 -15.592 1.643) 31.163 21.436 ( 20.882 6.540 -5.237) 22.500 22.386 ( -18.395 -19.731 0.078) 26.976 22.799 ( -8.462 18.613 -2.339) 20.580 ======================= Grid point 381 (192/224) ======================= q-point: ( 0.33 0.23 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.273 ( 18.370 0.183 -3.084) 18.628 5.074 ( 21.956 15.332 -0.935) 26.796 5.098 ( 8.424 19.512 -0.294) 21.255 5.914 ( -11.936 1.766 10.427) 15.947 6.359 ( -9.128 6.707 7.811) 13.759 6.538 ( 6.046 12.401 -6.620) 15.302 7.060 ( -2.933 4.341 7.001) 8.744 7.576 ( 0.119 18.510 -12.243) 22.193 8.307 ( 8.196 18.272 -0.767) 20.041 8.418 ( -17.288 10.499 -2.803) 20.419 8.989 ( 29.620 17.621 0.414) 34.468 9.417 ( 2.972 12.361 -4.729) 13.565 9.810 ( 1.505 10.523 -3.584) 11.218 10.041 ( 34.144 0.957 0.230) 34.158 10.535 ( 11.280 1.394 0.146) 11.366 10.839 ( 4.952 -0.254 -1.409) 5.155 11.332 ( 1.112 -1.841 7.428) 7.733 11.498 ( 9.995 1.789 -0.378) 10.161 12.380 ( -9.025 -6.087 -1.276) 10.960 12.777 ( 8.055 3.385 -0.224) 8.740 13.060 ( -15.754 14.717 1.457) 21.608 13.312 ( 18.993 -7.588 -3.330) 20.722 13.660 ( -4.144 9.528 -1.198) 10.459 13.973 ( 10.721 10.704 -0.742) 15.168 14.839 ( 12.500 6.715 3.249) 14.556 14.921 ( 2.583 1.458 1.697) 3.417 15.088 ( 9.238 2.133 6.233) 11.346 15.342 ( -24.033 -5.718 2.089) 24.792 15.367 ( -18.771 -14.820 1.755) 23.981 15.691 ( 1.068 -1.482 -2.940) 3.462 16.028 ( -0.261 -3.748 0.763) 3.834 16.564 ( 0.253 4.839 -1.321) 5.022 16.999 ( 3.198 8.685 -2.461) 9.576 17.477 ( 5.852 -6.826 4.010) 9.845 17.771 ( -7.158 -6.278 8.286) 12.622 18.354 ( 6.376 -7.654 -3.376) 10.518 18.604 ( 0.501 -12.303 -1.345) 12.386 20.183 ( -38.138 -20.704 -1.551) 43.423 20.647 ( 12.597 2.947 1.473) 13.021 21.742 ( 7.841 1.356 -2.796) 8.434 22.071 ( -8.216 -5.643 -6.338) 11.812 22.629 ( -7.602 15.814 0.486) 17.553 ======================= Grid point 382 (193/224) ======================= q-point: ( 0.44 0.23 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.649 ( 18.861 0.432 -5.544) 19.664 4.991 ( -15.806 4.996 3.473) 16.937 5.437 ( 7.581 16.895 0.021) 18.518 5.897 ( 4.040 8.398 14.820) 17.506 6.275 ( 5.679 4.651 -1.026) 7.412 6.501 ( -5.235 12.643 -4.139) 14.296 6.954 ( -11.202 12.695 14.105) 22.036 7.473 ( -1.238 7.868 -24.687) 25.940 8.154 ( -4.854 17.557 5.059) 18.905 8.434 ( 2.719 12.746 -2.114) 13.203 9.420 ( -0.221 15.124 -2.615) 15.350 9.753 ( 3.826 13.574 -5.778) 15.241 9.805 ( 32.465 6.599 1.772) 33.176 10.357 ( -2.622 -2.847 -1.130) 4.032 10.728 ( 0.698 5.358 -3.945) 6.690 11.110 ( 15.363 10.297 6.183) 19.501 11.483 ( 13.439 1.662 11.292) 17.632 11.658 ( 4.921 4.413 -0.982) 6.682 12.117 ( -14.063 -4.652 -7.666) 16.678 12.512 ( -23.221 8.131 0.556) 24.610 13.027 ( 13.037 4.149 -0.769) 13.703 13.522 ( 5.270 -10.950 -0.602) 12.167 13.789 ( 5.123 -4.752 -0.755) 7.028 14.270 ( 19.840 15.224 -0.595) 25.015 14.353 ( -31.449 1.665 2.446) 31.588 14.694 ( -22.250 11.547 1.244) 25.099 15.125 ( 3.524 -18.475 1.511) 18.868 15.169 ( -1.236 -22.302 -0.613) 22.345 15.599 ( 15.010 15.530 3.542) 21.887 15.851 ( 4.545 10.314 1.377) 11.355 16.093 ( 8.248 3.667 0.412) 9.036 16.376 ( -12.320 11.532 -3.030) 17.145 17.254 ( 18.032 0.517 -3.605) 18.396 17.458 ( -10.476 -3.342 6.122) 12.585 17.718 ( 0.001 -7.413 5.672) 9.334 18.433 ( 2.019 -6.635 -1.685) 7.138 18.741 ( 14.598 -17.572 1.975) 22.930 19.404 ( -35.640 -24.993 -2.737) 43.616 20.886 ( 8.649 -0.712 0.974) 8.733 21.655 ( -8.261 -4.232 1.141) 9.352 22.066 ( 2.419 7.667 -6.436) 10.298 22.538 ( 0.226 11.688 -2.709) 12.000 ======================= Grid point 383 (194/224) ======================= q-point: (-0.44 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.514 ( -23.945 6.618 5.773) 25.505 5.066 ( 15.219 2.329 -2.206) 15.554 5.297 ( -17.602 13.339 11.465) 24.884 6.136 ( 8.096 12.207 -4.051) 15.198 6.359 ( -0.006 7.077 -7.430) 10.261 6.444 ( 3.236 9.839 -2.335) 10.617 6.925 ( 7.160 13.507 21.390) 26.291 7.391 ( 2.349 3.692 -21.784) 22.219 8.179 ( 4.456 15.294 3.061) 16.222 8.454 ( 0.302 15.616 -4.081) 16.143 9.387 ( -2.368 14.498 0.260) 14.692 9.666 ( -22.471 15.776 2.373) 27.559 9.858 ( -15.797 7.971 -3.163) 17.975 10.352 ( 3.969 -4.282 0.097) 5.839 10.646 ( -7.513 3.310 2.827) 8.683 11.205 ( -13.348 7.517 -2.742) 15.563 11.589 ( -5.156 9.048 2.986) 10.834 11.739 ( -7.552 2.321 -7.214) 10.698 11.922 ( 10.802 -5.937 7.680) 14.523 12.524 ( 23.679 8.205 -0.394) 25.063 13.003 ( -13.320 3.587 1.424) 13.868 13.523 ( -7.271 -11.850 -0.655) 13.918 13.763 ( -7.212 -6.167 1.508) 9.608 14.249 ( -19.219 17.228 1.046) 25.832 14.391 ( 34.849 1.169 -0.583) 34.873 14.725 ( 22.147 11.921 -1.591) 25.202 15.144 ( -0.532 -21.930 -0.515) 21.943 15.167 ( -0.328 -19.694 -0.267) 19.698 15.628 ( -17.914 11.627 2.041) 21.454 15.771 ( -2.295 12.776 5.590) 14.133 16.161 ( -11.015 13.145 -3.281) 17.461 16.406 ( 20.380 6.318 -6.335) 22.257 17.166 ( -17.397 1.113 4.886) 18.104 17.582 ( 12.423 -3.543 -5.881) 14.194 17.749 ( 1.427 -4.850 3.279) 6.026 18.413 ( -3.845 -7.228 0.432) 8.199 18.799 ( -17.020 -24.976 -3.439) 30.419 19.272 ( 30.405 -21.469 9.179) 38.336 20.906 ( -7.115 -0.990 -0.826) 7.231 21.625 ( 4.639 -2.807 3.564) 6.488 21.988 ( -7.610 8.915 0.473) 11.731 22.617 ( 8.784 9.423 -9.423) 15.961 ======================= Grid point 384 (195/224) ======================= q-point: (-0.33 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.074 ( -22.131 9.656 11.933) 26.934 4.915 ( -22.118 15.341 12.163) 29.537 5.256 ( 0.767 13.001 -10.362) 16.643 6.080 ( 0.872 3.801 -4.236) 5.758 6.360 ( -7.965 20.537 9.959) 24.174 6.606 ( 15.294 0.074 -15.353) 21.671 7.206 ( 1.540 -0.314 5.108) 5.344 7.369 ( 4.653 17.495 -5.656) 18.966 8.221 ( -11.007 14.338 3.958) 18.504 8.471 ( 11.439 17.369 -4.433) 21.265 8.961 ( -25.220 15.692 3.415) 29.899 9.342 ( -2.401 12.387 2.030) 12.780 9.792 ( -7.937 10.374 -1.402) 13.136 10.065 ( -27.988 2.210 -2.498) 28.186 10.488 ( -5.560 -0.200 4.618) 7.230 10.861 ( -10.107 -1.179 -3.594) 10.791 11.457 ( -11.367 -1.348 -1.180) 11.507 11.551 ( -2.290 1.474 -7.858) 8.317 12.244 ( 12.035 -4.867 11.218) 17.157 12.759 ( -9.267 2.259 1.263) 9.622 13.077 ( 14.260 14.903 -0.126) 20.627 13.255 ( -20.107 -7.957 1.913) 21.708 13.613 ( 2.658 8.802 3.025) 9.680 13.966 ( -9.590 11.951 0.072) 15.323 14.876 ( -15.727 8.052 0.046) 17.669 14.950 ( -3.479 -1.666 -1.044) 3.996 15.220 ( 5.486 -4.027 -5.680) 8.864 15.319 ( 18.085 -23.519 0.970) 29.684 15.465 ( 22.461 6.528 -3.986) 23.728 15.601 ( -8.980 8.858 5.142) 13.621 16.046 ( 4.141 -4.007 -0.057) 5.763 16.618 ( -4.246 3.393 -6.624) 8.569 16.947 ( 1.598 10.926 2.457) 11.312 17.592 ( -5.703 -7.683 -6.980) 11.844 17.892 ( 9.714 -4.236 -1.863) 10.760 18.305 ( -6.625 -8.606 0.817) 10.892 18.598 ( -3.506 -19.604 -1.261) 19.955 20.015 ( 35.600 -19.348 13.853) 42.821 20.683 ( -12.088 2.681 -1.661) 12.493 21.646 ( -11.378 5.812 4.846) 13.665 21.954 ( 9.161 -3.301 4.227) 10.615 22.774 ( 10.807 9.997 -11.700) 18.805 ======================= Grid point 385 (196/224) ======================= q-point: (-0.22 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.767 ( -13.728 12.433 16.935) 25.096 4.502 ( -23.206 16.868 9.799) 30.316 5.066 ( -11.070 26.195 -17.658) 33.475 6.012 ( -26.684 17.868 -0.023) 32.114 6.267 ( 5.188 3.731 1.953) 6.682 6.610 ( -6.603 6.786 -11.787) 15.119 7.078 ( 1.977 6.827 4.726) 8.535 7.504 ( 1.156 14.879 12.055) 19.185 8.043 ( -1.276 14.288 -9.336) 17.115 8.562 ( -26.058 0.121 3.515) 26.295 8.931 ( 25.709 9.438 1.037) 27.406 9.214 ( -9.022 6.708 -4.918) 12.271 9.394 ( -2.275 10.424 5.537) 12.020 9.945 ( 1.845 16.674 -3.681) 17.175 10.410 ( -3.742 7.389 0.316) 8.288 10.696 ( -7.346 -2.960 0.530) 7.938 11.255 ( -7.397 -6.697 -2.283) 10.236 11.496 ( -1.244 2.311 -6.025) 6.572 12.298 ( -17.183 4.440 0.632) 17.759 12.613 ( 1.965 -5.154 10.416) 11.786 12.848 ( -19.034 -0.937 2.969) 19.287 13.165 ( 1.048 6.914 -0.166) 6.994 13.533 ( -16.434 4.951 6.856) 18.482 14.050 ( 11.165 12.358 -2.163) 16.794 14.402 ( -29.905 3.343 -3.336) 30.276 14.778 ( -11.370 1.221 -3.453) 11.945 14.946 ( -5.389 12.539 -0.292) 13.651 15.527 ( 1.449 4.906 1.655) 5.377 15.794 ( 23.082 -30.128 0.304) 37.955 15.991 ( -0.011 5.239 -6.906) 8.668 16.317 ( 19.586 -9.359 -2.250) 21.824 16.500 ( 13.400 -4.644 -0.138) 14.183 17.094 ( 6.518 17.055 1.284) 18.303 17.420 ( -5.925 -10.333 -9.474) 15.220 18.011 ( 1.769 -4.053 -8.678) 9.740 18.187 ( -3.499 -8.985 3.077) 10.121 18.580 ( -0.192 -12.421 2.682) 12.709 20.419 ( -6.367 3.748 0.811) 7.433 20.759 ( 25.469 -14.184 10.689) 31.051 21.331 ( -19.721 9.027 4.138) 22.080 22.247 ( 15.052 -11.320 9.359) 21.031 22.945 ( 10.844 9.683 -12.353) 19.078 ======================= Grid point 386 (197/224) ======================= q-point: (-0.11 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.672 ( -3.363 13.845 19.888) 24.464 4.099 ( -20.156 19.498 11.864) 30.450 4.710 ( -17.221 33.032 -18.368) 41.534 5.337 ( -23.030 28.360 -17.072) 40.326 6.367 ( -0.425 11.285 16.112) 19.675 6.611 ( 7.186 0.933 -8.532) 11.194 7.224 ( 6.934 1.293 8.184) 10.804 7.497 ( -6.399 9.599 12.438) 16.965 7.855 ( -23.204 3.089 -0.798) 23.422 8.063 ( -3.408 10.582 -15.884) 19.388 9.229 ( 4.734 2.353 -2.536) 5.863 9.431 ( 13.079 0.642 3.917) 13.668 9.616 ( 25.699 16.357 2.583) 30.572 9.941 ( 0.238 18.053 -3.023) 18.306 10.332 ( -3.886 13.437 -3.203) 14.350 10.594 ( -3.016 1.839 5.281) 6.354 11.119 ( -7.613 -9.303 -3.650) 12.563 11.356 ( -11.882 7.066 -4.626) 14.578 11.999 ( -4.747 7.052 -1.303) 8.601 12.397 ( -18.451 3.076 1.717) 18.784 12.841 ( 5.487 -7.869 10.253) 14.041 13.087 ( -8.036 -0.130 2.288) 8.356 13.348 ( -2.101 1.995 4.778) 5.588 13.744 ( -29.053 1.164 -2.678) 29.199 14.194 ( 6.036 9.269 -4.067) 11.785 14.543 ( -11.365 1.066 -1.686) 11.538 15.001 ( 5.166 16.738 0.689) 17.531 15.478 ( -7.781 -1.604 -1.468) 8.079 15.793 ( -5.294 8.569 -7.854) 12.772 16.206 ( 17.925 -27.602 0.864) 32.923 16.710 ( 12.242 -12.281 1.367) 17.394 16.805 ( 12.433 -5.719 -1.419) 13.758 17.172 ( 1.899 11.479 3.533) 12.159 17.368 ( 4.149 -6.329 -9.897) 12.459 17.894 ( -8.462 -0.075 -9.021) 12.369 18.208 ( 3.099 -7.968 1.052) 8.614 18.580 ( -0.844 -9.299 4.433) 10.336 20.374 ( 4.012 8.264 -0.902) 9.230 20.931 ( -20.805 9.961 3.184) 23.285 21.191 ( 12.703 -12.389 8.189) 19.543 22.575 ( 11.424 -15.220 14.295) 23.801 23.087 ( 7.693 5.949 -13.175) 16.376 ======================= Grid point 387 (198/224) ======================= q-point: ( 0.00 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.068 ( -0.127 20.423 4.695) 20.957 4.343 ( 0.183 21.957 5.928) 22.744 5.169 ( -1.274 36.360 -7.504) 37.148 5.545 ( 1.561 14.640 -13.386) 19.898 6.523 ( -1.856 1.839 2.447) 3.580 6.681 ( 3.283 -0.656 -3.919) 5.154 6.978 ( -2.656 -18.363 1.009) 18.582 7.493 ( 0.742 -5.416 0.551) 5.494 8.039 ( -2.861 27.964 21.340) 35.293 8.504 ( 4.013 27.090 -11.093) 29.547 9.221 ( -2.470 -1.803 0.714) 3.140 9.462 ( 3.199 -8.311 -1.193) 8.985 10.219 ( 0.018 18.238 0.622) 18.249 10.430 ( -0.295 -0.627 -2.644) 2.733 10.630 ( -11.255 15.897 2.744) 19.670 10.668 ( 17.868 15.408 -0.567) 23.601 11.028 ( -1.428 13.058 1.058) 13.179 11.262 ( -3.504 8.071 -4.339) 9.810 12.162 ( -12.295 3.712 3.064) 13.203 12.223 ( 11.790 3.860 -2.747) 12.707 12.738 ( 1.370 -9.054 4.944) 10.406 13.104 ( 13.772 -1.944 5.708) 15.034 13.182 ( -16.358 -1.892 -1.471) 16.532 13.312 ( 0.154 -11.315 1.867) 11.469 14.358 ( -8.329 -2.282 0.296) 8.641 14.413 ( 6.660 -0.007 -3.464) 7.507 15.149 ( -3.219 -8.419 3.125) 9.540 15.283 ( 3.429 -9.879 -2.420) 10.733 15.752 ( -0.496 -3.730 -8.411) 9.214 16.247 ( 5.994 3.175 0.513) 6.803 16.315 ( -5.651 0.234 -0.332) 5.665 16.871 ( -1.652 -18.957 -6.496) 20.107 17.426 ( 4.181 14.090 -1.036) 14.734 17.593 ( -2.279 2.296 -0.923) 3.364 17.827 ( -2.449 19.967 -1.012) 20.142 18.160 ( -2.988 0.061 3.031) 4.256 18.485 ( 4.623 -2.003 0.054) 5.039 20.600 ( -1.885 -1.255 0.601) 2.343 20.765 ( 2.565 2.614 0.154) 3.666 21.259 ( 0.253 1.526 6.762) 6.937 22.201 ( 0.225 -27.467 3.794) 27.729 23.265 ( 0.060 2.256 -3.725) 4.355 ======================= Grid point 388 (199/224) ======================= q-point: ( 0.11 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.063 ( 0.124 17.628 3.675) 18.007 4.551 ( 16.013 20.050 2.052) 25.742 5.284 ( 9.591 30.308 -5.074) 32.192 5.747 ( 25.630 18.413 -6.735) 32.269 6.452 ( -8.480 0.176 3.261) 9.087 6.590 ( -4.544 -3.499 -4.435) 7.250 7.027 ( 3.639 -9.640 2.639) 10.637 7.816 ( 30.109 -5.862 -0.606) 30.680 8.052 ( -3.399 23.316 15.685) 28.306 8.515 ( 2.367 27.698 -12.411) 30.444 9.168 ( -3.795 -0.292 4.123) 5.611 9.481 ( -0.548 -5.487 -5.441) 7.746 10.044 ( -22.741 19.666 -1.347) 30.095 10.347 ( -5.373 22.764 0.839) 23.404 10.439 ( 1.811 -0.121 -1.258) 2.208 10.813 ( 1.872 11.266 -5.492) 12.673 11.031 ( 4.357 4.426 -0.087) 6.211 11.405 ( 3.327 5.098 2.461) 6.566 12.077 ( 7.249 5.686 3.041) 9.702 12.476 ( 12.731 -0.411 -1.895) 12.878 12.744 ( -2.598 -8.568 2.267) 9.236 13.134 ( 11.192 2.203 -0.663) 11.426 13.373 ( 8.459 -6.442 0.942) 10.674 13.623 ( 30.427 -3.242 5.939) 31.170 14.203 ( -6.563 0.098 3.385) 7.385 14.510 ( 4.470 -5.003 -1.466) 6.867 15.066 ( -5.916 -11.146 2.267) 12.821 15.400 ( 7.196 -11.268 -2.199) 13.550 15.761 ( 3.205 -1.254 -3.143) 4.661 16.040 ( -12.841 9.217 -3.662) 16.225 16.397 ( -0.496 -1.652 2.863) 3.342 16.897 ( 4.642 -14.113 -0.372) 14.861 17.007 ( -27.392 6.888 -3.363) 28.444 17.659 ( -2.192 16.211 -0.578) 16.368 17.871 ( 2.254 6.692 3.179) 7.744 18.059 ( -4.934 0.423 1.817) 5.275 18.551 ( 1.534 -2.660 -4.234) 5.231 20.460 ( -3.877 1.823 0.633) 4.330 21.029 ( 4.580 -4.724 2.771) 7.139 21.188 ( 0.814 4.084 -0.293) 4.174 22.146 ( -6.293 -24.669 1.453) 25.501 23.190 ( -6.069 2.957 -2.489) 7.196 ======================= Grid point 389 (200/224) ======================= q-point: ( 0.22 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.142 ( 7.201 13.334 1.037) 15.189 4.939 ( 21.654 17.921 0.570) 28.114 5.416 ( 5.399 20.917 -3.251) 21.845 6.072 ( -9.236 -7.850 0.306) 12.126 6.512 ( 3.431 3.226 -0.836) 4.783 6.580 ( 24.725 23.282 3.028) 34.096 7.080 ( 1.187 -1.981 1.511) 2.759 8.023 ( -3.269 19.022 4.679) 19.860 8.479 ( 13.120 8.356 -7.536) 17.284 8.622 ( 30.415 8.090 -4.191) 31.750 9.108 ( -7.945 4.749 4.034) 10.097 9.311 ( -6.119 6.438 -3.667) 9.609 9.718 ( -2.138 12.574 -3.685) 13.276 10.293 ( -3.293 21.165 0.718) 21.432 10.499 ( 3.570 3.641 0.173) 5.102 10.839 ( 4.768 11.198 -5.098) 13.195 11.165 ( 7.222 -0.260 -0.987) 7.294 11.361 ( -2.285 -4.199 3.572) 5.968 12.315 ( 3.795 -3.905 2.472) 5.980 12.597 ( 5.955 -3.823 0.622) 7.104 12.870 ( 14.733 -2.687 -3.492) 15.377 13.315 ( 5.377 5.836 -0.841) 7.980 13.734 ( 23.242 4.427 -1.523) 23.709 14.080 ( -0.437 -1.266 5.924) 6.073 14.251 ( 16.810 -9.869 3.067) 19.733 14.719 ( 20.204 -0.804 4.969) 20.821 14.933 ( -6.666 -15.387 0.647) 16.781 15.505 ( -24.742 6.609 -1.526) 25.655 15.536 ( 7.425 -10.097 -1.684) 12.646 16.029 ( 2.466 6.525 -0.220) 6.978 16.164 ( -20.785 8.041 6.932) 23.339 16.551 ( -10.819 2.980 -4.049) 11.930 17.069 ( 11.111 -10.652 2.759) 15.638 17.531 ( -9.360 21.713 -0.098) 23.644 17.839 ( -7.201 -1.996 4.053) 8.501 18.056 ( 5.002 -4.644 -1.895) 7.084 18.496 ( -4.612 -5.461 -5.691) 9.137 20.454 ( -3.795 -3.186 -0.128) 4.957 20.700 ( -20.602 0.037 2.851) 20.798 21.496 ( 17.472 -0.155 -3.160) 17.756 22.002 ( -6.788 -15.929 -1.201) 17.357 23.019 ( -9.760 2.921 -1.190) 10.257 ======================= Grid point 390 (201/224) ======================= q-point: ( 0.33 0.31 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.357 ( 13.944 7.481 -0.917) 15.851 5.381 ( -10.796 6.213 -1.269) 12.521 5.400 ( 23.922 16.505 -2.041) 29.135 5.942 ( 1.502 1.206 5.846) 6.155 6.411 ( -9.210 2.367 2.978) 9.964 6.929 ( 0.331 17.838 -1.578) 17.910 7.206 ( 8.069 14.057 7.328) 17.788 7.941 ( -4.697 17.662 -12.551) 22.171 8.584 ( 4.279 9.972 -3.512) 11.406 8.689 ( -15.737 12.149 3.873) 20.255 9.243 ( 25.859 6.271 -1.996) 26.684 9.646 ( 12.055 9.847 -2.774) 15.810 9.908 ( 28.042 0.349 -2.176) 28.129 10.225 ( -0.561 15.912 -0.224) 15.924 10.553 ( 2.582 0.986 -1.071) 2.964 11.007 ( 13.820 15.662 -2.971) 21.098 11.241 ( 2.789 -5.324 7.277) 9.438 11.501 ( 13.483 -1.482 -1.082) 13.607 12.192 ( -11.196 -11.941 -0.369) 16.373 12.787 ( 10.207 -2.767 -0.928) 10.616 13.152 ( 11.002 -6.429 -4.458) 13.500 13.362 ( -2.854 10.711 -0.136) 11.085 13.837 ( -18.708 9.397 0.880) 20.954 14.133 ( 13.515 3.406 1.013) 13.974 14.556 ( 3.379 -22.762 2.411) 23.137 14.756 ( -7.438 -19.919 -2.134) 21.369 15.046 ( -14.111 -3.120 4.232) 15.059 15.208 ( 8.293 17.125 3.534) 19.352 15.567 ( -1.751 5.754 -0.662) 6.051 15.891 ( 8.085 1.565 3.056) 8.783 16.055 ( 2.856 17.060 6.158) 18.361 16.619 ( 9.724 1.211 -0.840) 9.835 17.240 ( -2.094 7.038 0.078) 7.344 17.385 ( 1.990 4.129 3.000) 5.478 17.649 ( -12.202 -5.518 7.189) 15.200 18.198 ( 8.909 -6.958 -3.808) 11.928 18.363 ( -4.444 -10.199 -7.301) 13.307 19.869 ( -41.247 -11.527 -1.290) 42.847 20.722 ( 8.991 5.236 1.326) 10.488 21.674 ( -1.935 -4.913 0.077) 5.281 21.979 ( 8.494 -4.618 -5.710) 11.228 22.814 ( -9.744 2.127 -0.258) 9.977 ======================= Grid point 391 (202/224) ======================= q-point: ( 0.44 0.31 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.674 ( 17.665 1.939 -1.503) 17.834 5.044 ( -19.331 0.102 -0.095) 19.332 5.814 ( 11.988 18.878 -5.594) 23.052 6.074 ( 2.091 8.115 13.073) 15.528 6.288 ( 5.303 0.774 2.264) 5.818 6.825 ( -7.758 12.628 -6.522) 16.192 7.274 ( -2.990 19.727 11.782) 23.172 7.741 ( -6.381 19.231 -17.670) 26.885 8.481 ( -4.068 13.242 1.088) 13.896 8.674 ( 2.420 9.630 2.024) 10.134 9.729 ( 1.719 14.846 -2.554) 15.162 9.786 ( 22.000 -3.224 -0.282) 22.237 10.073 ( -0.799 16.444 -1.314) 16.516 10.300 ( -5.350 -1.704 -3.155) 6.441 10.763 ( 12.274 -3.211 -1.925) 12.832 11.285 ( 12.524 -2.668 2.179) 12.989 11.458 ( 12.063 0.782 8.267) 14.645 11.857 ( 16.470 13.680 -1.474) 21.461 11.957 ( -2.892 -8.280 -3.221) 9.343 12.859 ( -37.093 21.013 1.164) 42.647 13.030 ( 12.191 -1.870 -2.909) 12.672 13.273 ( 4.968 -10.830 -1.678) 12.033 13.651 ( -5.004 -6.438 -1.787) 8.348 14.232 ( -19.389 -10.690 3.723) 22.451 14.277 ( -4.117 -19.583 0.868) 20.030 14.772 ( 5.355 9.218 -1.069) 10.714 14.844 ( 4.803 -12.163 -0.456) 13.085 15.217 ( -10.463 19.594 2.909) 22.403 15.882 ( 19.724 14.026 3.472) 24.451 16.026 ( 12.033 -1.059 -4.448) 12.872 16.321 ( 3.532 20.454 7.059) 21.924 16.609 ( -8.629 8.539 -1.013) 12.182 17.282 ( 11.981 2.386 -0.594) 12.231 17.401 ( -7.425 -2.367 4.708) 9.105 17.577 ( 3.725 -5.560 9.059) 11.263 18.266 ( -0.223 -10.173 -4.282) 11.040 18.428 ( 15.436 -11.683 -5.275) 20.065 19.001 ( -42.320 -14.365 -1.410) 44.714 20.889 ( 5.693 2.223 0.753) 6.158 21.573 ( -4.695 -2.345 0.676) 5.292 22.131 ( 4.943 -1.501 -4.620) 6.930 22.667 ( -3.249 0.535 -1.294) 3.537 ======================= Grid point 392 (203/224) ======================= q-point: (-0.44 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.643 ( -18.611 5.534 0.624) 19.426 5.056 ( 19.054 -2.242 -0.816) 19.203 5.627 ( -20.186 17.530 9.994) 28.542 6.337 ( 18.204 3.605 -13.783) 23.116 6.435 ( -7.129 9.417 -2.108) 11.998 6.699 ( 6.610 7.332 0.184) 9.873 7.265 ( -2.695 20.566 16.185) 26.310 7.641 ( 3.358 20.802 -12.029) 24.263 8.467 ( 1.350 11.734 1.993) 11.979 8.718 ( 1.863 9.505 -1.774) 9.847 9.689 ( -4.376 15.445 0.823) 16.074 9.796 ( -23.797 -1.156 -1.238) 23.857 10.095 ( 3.491 16.591 -3.065) 17.229 10.270 ( 6.237 -3.240 0.360) 7.038 10.700 ( -17.434 -0.870 2.859) 17.688 11.322 ( -13.177 1.110 -1.445) 13.302 11.586 ( -5.333 -11.167 -0.276) 12.379 11.803 ( 0.842 2.006 2.428) 3.260 11.893 ( -18.374 8.242 0.866) 20.157 12.879 ( 38.183 22.223 -0.763) 44.186 12.990 ( -13.517 -3.156 0.873) 13.908 13.270 ( -7.028 -10.325 -1.377) 12.565 13.607 ( 3.077 -6.639 2.040) 7.597 14.279 ( 18.434 -15.323 0.317) 23.973 14.289 ( 7.380 -15.347 -1.024) 17.060 14.741 ( -8.252 10.323 1.472) 13.297 14.845 ( -1.811 -12.592 -0.279) 12.725 15.267 ( 13.046 19.165 -1.835) 23.256 15.887 ( -24.069 12.545 4.120) 27.453 15.990 ( -6.551 5.726 -1.342) 8.803 16.426 ( -2.125 15.803 -3.118) 16.247 16.620 ( 14.981 9.652 -2.457) 17.990 17.218 ( -10.818 4.135 4.628) 12.472 17.521 ( 8.002 -2.362 -5.868) 10.200 17.680 ( 3.175 -1.384 1.829) 3.917 18.241 ( -1.589 -11.562 -2.489) 11.934 18.312 ( -22.583 -19.509 4.198) 30.136 18.929 ( 34.262 -12.070 5.094) 36.681 20.903 ( -4.580 1.862 -0.454) 4.964 21.563 ( 3.383 -1.707 1.561) 4.099 22.081 ( -8.022 -0.223 -0.081) 8.026 22.708 ( 7.635 -0.949 -4.959) 9.153 ======================= Grid point 393 (204/224) ======================= q-point: (-0.33 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.308 ( -14.862 12.633 2.330) 19.645 5.251 ( -20.702 17.725 8.906) 28.672 5.414 ( 15.398 1.297 -2.299) 15.623 6.169 ( -9.242 5.135 -12.168) 16.119 6.558 ( 7.766 -0.456 -10.967) 13.446 6.856 ( 2.484 19.057 4.698) 19.785 7.244 ( -7.421 9.195 6.544) 13.507 7.775 ( 10.728 20.882 0.049) 23.476 8.483 ( -5.765 10.489 4.685) 12.853 8.772 ( 8.706 10.201 -3.587) 13.883 9.199 ( -28.514 6.982 2.360) 29.451 9.595 ( -6.422 12.589 1.780) 14.244 9.896 ( -33.007 0.562 -1.216) 33.034 10.244 ( 2.171 14.040 -2.061) 14.356 10.504 ( 1.729 1.119 4.443) 4.897 10.963 ( -16.609 11.645 0.139) 20.285 11.441 ( -13.362 0.797 -6.805) 15.016 11.476 ( -4.079 -7.830 -2.229) 9.105 12.094 ( 11.430 -9.737 8.414) 17.212 12.751 ( -10.002 -3.810 2.172) 10.921 13.089 ( -12.394 -6.240 1.295) 13.937 13.352 ( 0.022 8.070 0.653) 8.096 13.823 ( 19.292 13.541 1.994) 23.654 14.157 ( -12.572 4.652 -1.002) 13.442 14.579 ( -2.034 -22.929 0.261) 23.021 14.724 ( 7.629 -20.866 0.708) 22.228 15.118 ( 19.446 -2.193 -1.519) 19.628 15.271 ( -12.004 14.517 -2.455) 18.997 15.547 ( -2.132 4.956 0.649) 5.434 15.952 ( 1.174 0.995 -2.909) 3.291 16.175 ( -6.199 24.826 -3.494) 25.826 16.668 ( -11.384 1.454 -5.392) 12.680 17.243 ( 12.091 15.637 0.130) 19.767 17.480 ( -7.347 -2.023 -7.109) 10.421 17.791 ( 8.448 -5.931 -4.524) 11.270 18.117 ( -5.871 -11.074 4.928) 13.468 18.223 ( 3.084 -13.852 3.255) 14.560 19.719 ( 37.803 -10.695 12.570) 41.248 20.750 ( -8.635 4.721 -1.167) 9.910 21.646 ( -0.437 -3.156 2.374) 3.973 21.897 ( -6.512 -2.741 1.721) 7.272 22.878 ( 10.727 -0.601 -5.846) 12.231 ======================= Grid point 394 (205/224) ======================= q-point: (-0.22 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.089 ( -7.994 18.729 4.267) 20.806 4.873 ( -20.149 19.478 5.936) 28.647 5.532 ( -1.424 16.969 -11.234) 20.400 6.123 ( 6.009 -6.535 -4.003) 9.738 6.528 ( -16.152 17.372 -0.383) 23.724 6.662 ( -13.050 6.857 -6.994) 16.317 7.113 ( -1.274 -1.937 -1.479) 2.750 7.950 ( 2.338 22.596 12.776) 26.062 8.338 ( -6.177 8.336 1.340) 10.461 8.578 ( -36.061 5.772 1.749) 36.561 9.098 ( 18.515 5.190 3.800) 19.600 9.322 ( -7.231 3.354 -3.991) 8.915 9.645 ( 5.248 15.146 2.519) 16.226 10.309 ( 2.948 17.243 -0.813) 17.512 10.546 ( 0.322 5.029 -2.142) 5.476 10.719 ( -8.225 9.026 4.964) 13.182 11.193 ( -9.293 1.330 -2.771) 9.788 11.463 ( 3.930 -5.275 -6.370) 9.157 12.302 ( 2.635 -6.781 4.684) 8.652 12.536 ( -11.538 -0.718 5.039) 12.611 12.792 ( -14.725 -2.727 3.437) 15.365 13.296 ( -3.435 3.237 0.962) 4.817 13.660 ( -25.472 8.672 4.451) 27.274 14.181 ( -1.461 -0.144 -2.862) 3.217 14.296 ( -12.760 -10.994 -1.225) 16.887 14.826 ( -13.821 -6.566 -4.148) 15.854 14.966 ( -3.481 -9.804 -2.467) 10.692 15.474 ( 22.079 12.828 1.865) 25.603 15.485 ( -4.251 -15.456 2.354) 16.202 16.146 ( 4.096 9.132 -10.462) 14.479 16.292 ( 10.181 6.982 -4.301) 13.073 16.516 ( 12.686 5.247 -0.671) 13.745 17.217 ( -9.931 -9.274 -11.935) 18.086 17.514 ( 9.482 21.974 1.343) 23.970 17.929 ( 5.781 -6.895 -3.785) 9.762 18.026 ( -2.279 -4.037 0.714) 4.691 18.356 ( 5.096 -7.368 7.115) 11.440 20.374 ( 13.989 -7.196 9.406) 18.329 20.675 ( 9.664 3.793 3.268) 10.884 21.431 ( -17.682 1.192 2.523) 17.901 21.957 ( 7.206 -13.278 2.744) 15.354 23.068 ( 10.079 0.338 -5.338) 11.410 ======================= Grid point 395 (206/224) ======================= q-point: (-0.11 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.028 ( -0.447 21.416 5.555) 22.129 4.515 ( -16.569 21.430 5.075) 27.559 5.375 ( -8.935 28.011 -12.119) 31.801 5.785 ( -23.712 17.522 -9.588) 31.004 6.470 ( 9.924 -1.453 4.159) 10.858 6.580 ( 0.757 -1.986 -6.345) 6.692 7.074 ( -3.758 -9.515 -1.411) 10.327 7.785 ( -29.070 -6.002 1.762) 29.735 8.003 ( -2.423 27.640 21.257) 34.953 8.441 ( 5.502 22.080 -7.290) 23.895 9.261 ( -0.911 1.303 -3.109) 3.492 9.363 ( 6.398 -5.888 4.237) 9.672 10.002 ( 24.170 19.987 1.854) 31.419 10.356 ( 4.068 19.120 0.312) 19.550 10.478 ( -3.311 0.933 -4.499) 5.663 10.687 ( -0.285 10.857 6.824) 12.826 11.055 ( -3.344 5.060 -2.460) 6.545 11.492 ( -4.112 4.378 -5.570) 8.191 12.131 ( -6.362 6.087 -2.022) 9.035 12.416 ( -12.121 -1.706 4.077) 12.901 12.674 ( 2.077 -7.738 8.388) 11.600 13.121 ( -15.276 3.751 0.890) 15.755 13.315 ( -4.726 -6.238 5.015) 9.295 13.712 ( -30.214 -3.499 -2.148) 30.492 14.303 ( 4.827 1.066 -4.792) 6.885 14.520 ( -8.658 -5.378 -2.739) 10.554 15.083 ( 7.066 -12.149 0.923) 14.085 15.358 ( -7.015 -11.011 1.466) 13.138 15.839 ( 0.167 1.151 -9.241) 9.314 15.996 ( 9.298 6.742 -0.394) 11.492 16.455 ( -1.957 -2.336 -2.446) 3.908 16.978 ( 27.154 11.405 0.130) 29.452 17.004 ( -5.882 -14.155 -10.945) 18.835 17.646 ( 2.839 17.867 0.444) 18.097 17.951 ( -3.448 2.501 -4.710) 6.351 18.086 ( 7.459 -0.409 -0.255) 7.475 18.431 ( 0.009 -2.798 7.065) 7.598 20.464 ( 4.634 0.520 0.625) 4.705 21.003 ( -4.882 -3.217 4.952) 7.662 21.114 ( 0.232 3.822 6.704) 7.720 22.113 ( 6.221 -22.183 3.987) 23.381 23.216 ( 6.263 1.289 -4.614) 7.885 ======================= Grid point 396 (207/224) ======================= q-point: ( 0.00 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.571 ( -0.424 27.682 -2.544) 27.801 4.807 ( 0.380 23.514 2.383) 23.637 5.708 ( -0.516 1.786 -10.679) 10.840 5.770 ( 0.881 17.791 -4.155) 18.291 6.519 ( -0.803 -1.292 -0.823) 1.730 6.623 ( 10.815 -5.519 1.854) 12.283 6.664 ( -10.741 -8.213 -0.555) 13.532 7.339 ( 0.672 -9.758 0.010) 9.781 8.474 ( -1.458 14.979 6.771) 16.503 8.938 ( 2.982 8.399 2.023) 9.140 9.216 ( -4.348 2.089 1.662) 5.102 9.306 ( 4.228 -4.636 -1.310) 6.410 10.477 ( 2.205 13.724 1.258) 13.957 10.589 ( -1.831 14.706 0.877) 14.846 10.898 ( -4.813 9.641 5.209) 11.968 10.990 ( 11.440 12.488 -3.451) 17.284 11.370 ( -3.271 18.408 1.709) 18.775 11.469 ( -1.417 12.113 -4.476) 12.991 12.186 ( -3.904 -1.039 2.382) 4.690 12.316 ( 4.748 3.667 -0.869) 6.062 12.574 ( 0.527 -5.351 4.241) 6.848 12.982 ( 0.337 -18.659 0.097) 18.662 13.068 ( 6.976 -2.098 3.692) 8.167 13.154 ( -10.948 -0.595 -0.548) 10.978 14.128 ( -1.871 -16.511 -1.192) 16.660 14.371 ( 0.227 -8.567 -0.858) 8.612 14.864 ( -0.348 -12.027 1.588) 12.137 15.057 ( 0.562 -9.676 0.007) 9.692 15.744 ( -0.750 3.074 -9.075) 9.611 16.342 ( -0.830 -7.610 -2.920) 8.193 16.441 ( 3.600 11.522 0.152) 12.072 16.609 ( -2.842 0.035 -5.805) 6.463 17.559 ( 5.595 -3.629 -0.037) 6.669 17.609 ( -8.683 0.987 -1.708) 8.904 18.164 ( 2.652 12.759 0.400) 13.038 18.283 ( -0.665 9.329 0.122) 9.353 18.706 ( 1.526 24.980 2.631) 25.164 20.452 ( 0.224 -13.754 2.184) 13.928 20.767 ( -0.337 -1.619 0.387) 1.698 21.174 ( 0.850 -15.380 5.379) 16.315 21.941 ( 0.070 7.925 0.172) 7.927 23.162 ( 0.086 -11.839 -0.912) 11.875 ======================= Grid point 397 (208/224) ======================= q-point: ( 0.11 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.508 ( -2.868 24.952 -0.185) 25.117 4.986 ( 14.023 22.168 0.125) 26.232 5.672 ( 2.713 7.741 -6.657) 10.564 5.940 ( 4.463 -5.963 -2.192) 7.764 6.502 ( 4.901 6.609 0.729) 8.260 6.572 ( 7.300 6.764 -1.549) 10.072 6.861 ( 9.909 -6.782 2.127) 12.194 7.649 ( 29.557 -10.343 -1.354) 31.344 8.436 ( -4.560 14.284 5.557) 15.991 8.925 ( -3.467 7.528 -3.293) 8.919 9.155 ( -2.783 0.534 3.910) 4.829 9.384 ( 3.562 -3.137 -3.524) 5.912 10.442 ( -18.127 17.828 -1.716) 25.483 10.542 ( 3.208 14.182 -0.133) 14.541 10.776 ( -1.533 16.780 2.136) 16.985 11.069 ( 0.511 10.323 -6.142) 12.023 11.193 ( -1.759 11.568 1.849) 11.846 11.480 ( -10.369 4.457 0.038) 11.286 12.157 ( 3.272 -0.780 1.775) 3.803 12.406 ( 1.358 -6.892 1.076) 7.106 12.630 ( 7.568 -0.448 -0.386) 7.591 13.103 ( 11.160 -12.372 -0.307) 16.665 13.256 ( 24.835 4.831 1.838) 25.367 13.565 ( 26.665 -2.422 5.128) 27.262 14.063 ( -3.213 -13.792 2.992) 14.474 14.343 ( -0.176 -11.742 -0.382) 11.749 14.795 ( -6.079 -9.678 0.580) 11.443 15.085 ( 1.791 -15.417 -0.610) 15.533 15.820 ( 9.715 5.294 -2.813) 11.416 16.294 ( -8.002 7.249 -4.360) 11.644 16.427 ( 4.436 2.524 0.563) 5.135 16.692 ( 4.873 -0.822 -0.655) 4.985 17.177 ( -26.642 7.138 0.073) 27.581 17.617 ( -2.425 -10.637 2.886) 11.286 18.131 ( -4.571 10.419 -2.527) 11.655 18.226 ( -5.568 10.344 -0.536) 11.760 18.702 ( -3.459 20.650 -0.649) 20.947 20.405 ( -2.692 -9.544 0.901) 9.958 20.866 ( -0.631 -9.628 3.632) 10.310 21.193 ( 6.414 -7.396 -1.169) 9.859 21.914 ( -2.675 6.839 -0.069) 7.344 23.097 ( -6.013 -11.424 -0.807) 12.934 ======================= Grid point 398 (209/224) ======================= q-point: ( 0.22 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.488 ( 1.063 19.704 0.199) 19.734 5.318 ( 18.696 18.455 0.104) 26.271 5.675 ( -9.639 0.633 -1.715) 9.811 5.828 ( 0.324 -9.890 -2.411) 10.185 6.552 ( 0.197 3.120 1.172) 3.339 7.006 ( 6.404 -5.939 1.177) 8.813 7.169 ( 37.449 29.939 0.753) 47.951 8.327 ( 7.122 6.841 -2.757) 10.253 8.420 ( 27.462 -2.404 0.894) 27.581 8.838 ( -1.444 3.710 -3.741) 5.463 9.143 ( 2.037 1.213 3.685) 4.382 9.364 ( -4.221 -0.987 -3.931) 5.852 10.060 ( -11.443 19.712 -2.256) 22.904 10.606 ( 2.253 10.397 -2.927) 11.034 10.781 ( -3.147 22.323 2.943) 22.735 11.072 ( 1.573 1.232 -4.310) 4.751 11.223 ( -6.360 -6.024 1.678) 8.919 11.292 ( 8.278 17.672 -0.391) 19.518 12.108 ( -8.176 -14.325 1.182) 16.536 12.503 ( 6.688 -8.522 0.590) 10.850 12.893 ( 16.718 6.157 -3.537) 18.163 13.328 ( 9.001 -3.608 -2.605) 10.041 13.859 ( 17.424 -0.663 1.578) 17.508 13.935 ( 23.096 -2.076 5.476) 23.827 14.022 ( -4.877 -13.022 2.381) 14.107 14.585 ( 13.616 -7.903 1.109) 15.783 14.722 ( 8.399 -5.219 4.986) 11.075 15.127 ( 3.333 -20.149 -1.101) 20.452 15.883 ( -11.817 18.091 0.056) 21.608 16.199 ( 2.667 10.105 0.209) 10.453 16.347 ( -12.950 6.490 4.799) 15.259 16.644 ( -13.180 4.436 -0.111) 13.907 16.897 ( 9.243 -4.135 2.519) 10.434 17.578 ( -3.392 -14.201 1.743) 14.704 17.997 ( -7.549 13.008 -2.004) 15.172 18.091 ( -4.429 3.992 -3.454) 6.890 18.535 ( -12.113 13.825 -3.416) 18.696 20.236 ( -20.733 -19.125 0.544) 28.212 20.781 ( 0.086 6.777 1.745) 6.999 21.460 ( 16.345 -5.114 -2.990) 17.386 21.844 ( -3.837 4.130 -0.438) 5.654 22.931 ( -9.837 -10.986 -0.656) 14.762 ======================= Grid point 399 (210/224) ======================= q-point: ( 0.33 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.557 ( 5.897 11.706 0.094) 13.108 5.343 ( -18.082 -8.521 -0.663) 20.000 5.722 ( 21.716 14.100 -2.549) 26.017 5.984 ( 11.016 2.617 3.458) 11.839 6.511 ( -5.489 7.490 1.565) 9.417 7.053 ( -0.793 -1.522 -2.092) 2.706 7.729 ( 10.872 30.512 4.775) 32.741 8.290 ( -1.987 15.792 -7.139) 17.444 8.723 ( 3.445 3.276 -3.169) 5.713 8.833 ( -5.913 1.784 1.215) 6.294 9.287 ( 13.917 0.324 -1.630) 14.016 9.717 ( 40.913 -4.960 1.784) 41.251 10.012 ( 5.500 12.488 -2.511) 13.875 10.547 ( -7.273 10.486 -3.396) 13.206 10.677 ( -6.285 16.144 -0.751) 17.340 11.022 ( -1.359 -11.351 2.579) 11.720 11.276 ( 5.736 -4.007 -0.388) 7.008 11.623 ( 23.807 17.747 -0.833) 29.706 11.918 ( -9.226 -12.503 0.601) 15.551 12.661 ( 10.151 -8.880 -2.068) 13.644 13.097 ( 3.847 1.447 -4.978) 6.455 13.445 ( 4.289 -0.357 -2.085) 4.782 13.873 ( -8.018 -9.663 2.838) 12.873 14.037 ( 1.610 -17.755 2.375) 17.985 14.338 ( -10.485 11.931 2.355) 16.057 14.573 ( 7.246 0.829 -2.219) 7.623 14.989 ( -6.850 -3.469 4.730) 9.018 15.274 ( 17.624 -13.490 -0.284) 22.196 15.763 ( 11.382 18.179 2.723) 21.621 16.029 ( -10.307 12.125 4.096) 16.432 16.353 ( 7.571 8.435 9.812) 14.991 16.642 ( 9.449 1.297 0.423) 9.547 17.149 ( 10.847 -7.558 5.017) 14.140 17.428 ( -10.784 -9.909 2.544) 14.864 17.807 ( -12.210 19.544 -0.892) 23.062 18.093 ( 5.886 -3.402 -6.358) 9.309 18.247 ( -11.834 1.611 -7.120) 13.904 19.603 ( -39.182 -16.896 -1.017) 42.682 20.893 ( 7.578 11.797 0.681) 14.038 21.670 ( 0.630 4.957 -0.595) 5.033 21.839 ( 8.401 -7.938 -3.059) 11.956 22.723 ( -10.074 -10.595 -0.423) 14.625 ======================= Grid point 400 (211/224) ======================= q-point: ( 0.44 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.725 ( 10.818 3.062 0.130) 11.244 5.001 ( -15.345 -3.973 -0.706) 15.867 6.118 ( 19.093 8.369 -10.439) 23.314 6.221 ( -0.274 6.213 9.367) 11.244 6.396 ( 3.250 11.277 6.563) 13.447 6.940 ( -8.696 0.651 -9.374) 12.802 7.779 ( -2.661 26.776 7.727) 27.996 8.162 ( -5.723 18.893 -5.758) 20.563 8.678 ( -3.503 6.291 -1.490) 7.353 8.798 ( 0.797 2.389 0.610) 2.591 9.738 ( 23.755 1.101 2.007) 23.865 10.050 ( 2.870 15.381 -2.255) 15.808 10.315 ( -14.188 4.838 -3.509) 15.395 10.412 ( 8.376 11.213 -0.574) 14.007 10.658 ( 12.577 -2.039 -0.899) 12.773 11.068 ( 4.513 -14.646 4.058) 15.854 11.339 ( -0.253 -13.242 -1.312) 13.310 11.672 ( -8.403 -15.064 -0.491) 17.256 12.310 ( 36.201 21.057 -0.681) 41.886 12.846 ( 1.715 -7.023 -2.712) 7.721 13.116 ( 3.781 -2.169 -1.798) 4.715 13.376 ( -15.678 12.984 -0.650) 20.367 13.599 ( -16.628 5.438 -0.448) 17.501 13.908 ( -6.642 -13.160 1.121) 14.783 13.952 ( -11.399 -13.294 2.071) 17.634 14.632 ( -8.892 -8.503 1.314) 12.373 15.007 ( 17.334 10.773 -1.104) 20.439 15.552 ( -3.334 9.057 1.548) 9.775 15.910 ( 5.533 -3.375 -0.816) 6.532 16.268 ( 29.627 20.382 5.407) 36.365 16.515 ( -2.689 -4.634 2.087) 5.750 16.818 ( -0.561 12.866 5.366) 13.951 17.275 ( -0.769 -4.187 10.426) 11.261 17.388 ( 8.225 -1.656 -1.313) 8.492 17.558 ( -5.165 7.995 4.551) 10.550 18.065 ( -2.413 -7.481 -10.667) 13.251 18.260 ( 13.425 -6.031 -6.024) 15.903 18.753 ( -43.307 -12.400 -0.300) 45.049 21.021 ( 3.996 11.253 0.192) 11.943 21.618 ( -2.514 7.621 0.204) 8.027 22.005 ( 5.532 -10.650 -2.837) 12.332 22.561 ( -4.557 -10.523 -0.793) 11.495 ======================= Grid point 401 (212/224) ======================= q-point: (-0.44 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.736 ( -10.546 3.779 -1.014) 11.248 4.989 ( 15.240 -4.181 0.444) 15.809 5.972 ( -17.731 15.335 3.704) 23.733 6.396 ( 12.463 2.893 -7.930) 15.052 6.628 ( -12.261 6.387 -11.639) 18.072 6.748 ( 13.741 1.340 5.465) 14.848 7.777 ( -1.366 26.750 9.576) 28.445 8.092 ( 0.714 20.168 -0.643) 20.191 8.641 ( -0.378 5.434 1.625) 5.684 8.823 ( 1.913 0.829 -1.545) 2.595 9.792 ( -23.036 2.666 -3.086) 23.394 10.029 ( -6.099 17.742 0.147) 18.762 10.239 ( 13.538 0.763 3.431) 13.987 10.440 ( -4.430 12.777 -2.946) 13.840 10.630 ( -14.903 -1.672 0.977) 15.028 11.184 ( 0.148 -13.203 -5.059) 14.140 11.291 ( -0.349 -16.614 1.912) 16.727 11.640 ( 5.693 -12.833 2.427) 14.247 12.273 ( -37.005 19.605 2.678) 41.963 12.805 ( -6.095 -8.045 0.951) 10.138 13.120 ( -3.959 -1.371 -2.087) 4.681 13.379 ( 11.622 8.661 -0.880) 14.521 13.586 ( 21.062 11.075 0.713) 23.806 13.922 ( 7.693 -11.554 -0.267) 13.883 13.979 ( 11.763 -15.804 -0.165) 19.702 14.655 ( 10.660 -7.826 -0.762) 13.246 14.981 ( -17.919 11.069 1.392) 21.108 15.567 ( 0.648 5.928 0.100) 5.964 15.888 ( -4.730 -0.928 0.964) 4.916 16.352 ( -22.815 21.179 -1.255) 31.156 16.566 ( 3.407 -2.226 -2.893) 4.993 16.871 ( 10.985 14.990 -0.453) 18.589 17.302 ( 2.632 1.602 5.408) 6.224 17.473 ( 4.028 -0.691 -7.725) 8.740 17.700 ( 3.580 2.650 2.204) 4.970 17.867 ( -17.055 -17.553 -1.182) 24.502 18.137 ( -9.449 -3.907 5.017) 11.390 18.721 ( 33.783 -10.473 2.664) 35.470 21.027 ( -3.373 10.887 -0.372) 11.404 21.614 ( 2.017 7.687 0.542) 7.966 21.977 ( -7.108 -9.698 -0.338) 12.028 22.578 ( 6.413 -11.413 -2.351) 13.301 ======================= Grid point 402 (213/224) ======================= q-point: (-0.33 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.573 ( -5.313 13.093 -1.599) 14.220 5.327 ( 17.750 -8.596 0.923) 19.743 5.626 ( -17.570 18.249 3.017) 25.511 6.259 ( -13.868 1.879 -18.366) 23.091 6.561 ( 4.990 2.544 -3.174) 6.438 7.000 ( 6.676 -0.972 2.424) 7.169 7.705 ( -14.046 29.167 7.806) 33.301 8.177 ( 6.255 17.701 3.302) 19.062 8.625 ( -5.977 3.081 4.825) 8.276 8.863 ( 2.696 -1.185 -1.609) 3.356 9.278 ( -20.144 2.782 -0.285) 20.337 9.763 ( -34.532 -2.354 -2.269) 34.686 9.972 ( -8.719 13.413 0.317) 16.001 10.477 ( 7.592 6.121 3.508) 10.364 10.653 ( 6.666 16.011 1.714) 17.428 11.100 ( -4.330 -4.915 -4.467) 7.928 11.265 ( -3.077 -10.325 0.739) 10.798 11.621 ( -20.526 15.792 -0.700) 25.908 11.864 ( 8.175 -10.487 5.262) 14.300 12.601 ( -9.636 -9.678 3.195) 14.025 13.048 ( -5.065 2.237 -0.550) 5.564 13.401 ( -5.076 -1.100 1.856) 5.516 13.913 ( 9.127 -10.114 -0.813) 13.648 14.078 ( -1.537 -17.733 -1.256) 17.844 14.362 ( 7.397 13.908 0.067) 15.753 14.543 ( -2.936 1.881 0.564) 3.532 15.067 ( 11.386 -3.309 -2.201) 12.060 15.243 ( -19.132 -15.053 2.361) 24.458 15.798 ( -12.080 18.737 -0.996) 22.316 16.154 ( 11.640 15.844 -5.803) 20.498 16.507 ( -6.173 6.430 -4.671) 10.064 16.725 ( -13.314 5.475 -6.615) 15.843 17.291 ( -7.873 -6.746 -8.528) 13.425 17.521 ( 6.914 -12.632 -6.083) 15.632 17.768 ( 8.814 12.435 2.153) 15.393 17.907 ( 5.019 -4.923 11.201) 13.225 18.131 ( 7.972 5.501 3.126) 10.178 19.482 ( 36.097 -14.984 10.207) 40.394 20.908 ( -7.324 11.025 -0.642) 13.251 21.649 ( -3.487 3.262 1.207) 4.925 21.802 ( -5.619 -4.695 0.416) 7.334 22.745 ( 10.278 -12.043 -2.409) 16.015 ======================= Grid point 403 (214/224) ======================= q-point: (-0.22 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.507 ( -0.631 21.614 -1.983) 21.714 5.287 ( -16.691 20.368 1.782) 26.394 5.681 ( 14.673 -5.251 -0.994) 15.616 5.970 ( -6.309 -3.899 -14.899) 16.643 6.590 ( -0.419 0.420 -2.657) 2.722 7.028 ( -5.110 -6.690 -0.770) 8.453 7.160 ( -36.783 28.780 1.525) 46.729 8.280 ( -18.243 -0.738 0.308) 18.261 8.353 ( -9.322 7.953 9.210) 15.329 8.752 ( -5.572 4.610 3.357) 7.973 9.155 ( 3.422 1.971 2.985) 4.950 9.335 ( -3.561 -1.928 -1.927) 4.484 10.012 ( 11.315 20.332 1.530) 23.319 10.561 ( 0.161 10.065 1.792) 10.225 10.775 ( 3.381 15.240 2.928) 15.882 10.971 ( -7.979 9.367 4.686) 13.167 11.248 ( 1.407 -4.423 -1.039) 4.757 11.390 ( 1.072 10.015 -7.856) 12.774 12.062 ( 7.679 -14.821 5.370) 17.535 12.466 ( -6.209 -8.139 3.601) 10.851 12.831 ( -15.906 7.085 1.722) 17.497 13.268 ( -8.567 -4.386 2.576) 9.963 13.873 ( -23.850 6.765 0.259) 24.792 13.991 ( -18.347 -8.470 -0.359) 20.211 14.083 ( 7.700 -13.685 -2.575) 15.912 14.610 ( -5.890 -5.823 -1.726) 8.460 14.830 ( -17.898 -7.666 -3.332) 19.754 15.108 ( -3.482 -17.368 0.289) 17.716 15.885 ( 15.440 20.959 -0.007) 26.032 16.313 ( -14.287 5.424 -9.027) 17.749 16.430 ( 14.069 7.359 -4.572) 16.522 16.713 ( 17.763 11.721 -4.220) 21.696 17.029 ( -11.524 -8.818 -11.266) 18.371 17.629 ( 4.137 -14.317 -2.872) 15.177 17.937 ( 7.001 7.592 3.380) 10.866 18.021 ( 7.323 2.565 2.907) 8.286 18.428 ( 13.643 18.035 6.615) 23.562 20.131 ( 21.617 -18.218 10.543) 30.172 20.793 ( -1.499 7.008 0.474) 7.183 21.405 ( -16.530 -4.528 1.863) 17.240 21.836 ( 4.176 4.681 0.285) 6.279 22.943 ( 9.823 -12.212 -1.727) 15.767 ======================= Grid point 404 (215/224) ======================= q-point: (-0.11 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.526 ( 3.120 26.550 -2.108) 26.816 4.974 ( -14.307 23.195 1.009) 27.271 5.732 ( -1.204 7.385 -11.177) 13.451 5.965 ( -3.182 -7.461 -4.719) 9.384 6.517 ( -12.253 13.551 0.267) 18.271 6.554 ( -2.483 -0.543 -1.139) 2.785 6.898 ( -10.035 -7.386 -1.135) 12.512 7.620 ( -27.818 -10.084 1.071) 29.609 8.436 ( 2.357 14.838 7.112) 16.622 8.820 ( 6.086 10.204 4.639) 12.755 9.232 ( 3.653 -4.339 -1.258) 5.810 9.294 ( -3.466 0.662 3.086) 4.688 10.362 ( 14.567 15.566 4.027) 21.696 10.573 ( 4.134 15.517 -2.096) 16.194 10.773 ( -0.285 14.379 1.896) 14.506 10.912 ( -1.105 9.968 8.410) 13.089 11.272 ( 3.484 14.844 -3.481) 15.640 11.535 ( 8.979 1.651 -5.802) 10.817 12.164 ( 0.153 -7.382 1.492) 7.533 12.355 ( -5.359 -1.861 5.214) 7.705 12.587 ( -6.276 0.632 3.517) 7.222 13.083 ( -9.218 -13.242 1.465) 16.201 13.263 ( -27.270 8.654 0.713) 28.619 13.633 ( -25.176 -3.614 -1.276) 25.466 14.154 ( -0.318 -15.977 -4.920) 16.721 14.355 ( -2.349 -10.912 -1.441) 11.255 14.799 ( 5.084 -9.536 0.606) 10.824 15.069 ( -1.372 -13.891 0.795) 13.982 15.914 ( -10.467 4.686 -11.362) 16.144 16.241 ( 10.670 11.996 1.038) 16.088 16.465 ( -6.518 0.310 -3.757) 7.529 16.792 ( -8.023 -4.591 -9.364) 13.158 17.199 ( 25.681 8.934 -1.936) 27.260 17.693 ( 2.704 -9.286 -4.246) 10.563 18.069 ( 5.136 6.909 3.042) 9.131 18.209 ( 8.170 8.371 0.994) 11.739 18.636 ( 4.732 24.095 5.569) 25.178 20.374 ( 4.012 -11.338 4.330) 12.782 20.874 ( 0.387 -8.125 2.685) 8.566 21.128 ( -6.588 -5.638 4.510) 9.775 21.911 ( 2.801 6.722 0.278) 7.288 23.102 ( 6.117 -12.126 -1.168) 13.632 ======================= Grid point 405 (216/224) ======================= q-point: ( 0.00 0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.141 ( -0.499 26.555 -6.728) 27.399 5.293 ( 0.427 23.529 0.806) 23.547 5.582 ( 0.255 -14.506 -9.561) 17.375 5.734 ( 0.100 -17.095 -0.738) 17.111 6.503 ( -0.216 -0.032 0.521) 0.565 6.537 ( 0.294 -3.572 0.407) 3.607 6.760 ( -0.236 15.754 -0.415) 15.762 7.090 ( 0.482 -14.648 -0.402) 14.662 8.706 ( -0.265 9.078 1.593) 9.220 8.879 ( 0.552 -7.949 1.463) 8.101 9.258 ( -0.469 1.680 1.396) 2.234 9.285 ( 1.102 -0.497 3.052) 3.282 10.820 ( 4.972 10.907 0.156) 11.988 10.823 ( -2.338 7.662 1.460) 8.142 11.047 ( -3.670 6.946 6.618) 10.271 11.139 ( 5.914 1.288 -2.545) 6.566 11.686 ( -4.472 13.008 4.807) 14.571 11.764 ( 1.313 12.494 -1.217) 12.622 12.087 ( 3.522 -4.592 2.982) 6.511 12.277 ( -0.803 -11.817 -1.294) 11.914 12.569 ( 0.488 2.878 0.645) 2.989 12.646 ( 0.519 -8.410 -1.096) 8.497 13.080 ( -0.758 3.169 0.899) 3.380 13.148 ( -4.702 -1.370 0.257) 4.904 13.866 ( -0.702 -4.183 -0.321) 4.254 14.041 ( -0.134 -18.006 -0.057) 18.007 14.798 ( -0.202 2.782 0.557) 2.845 14.897 ( -0.107 -6.323 0.206) 6.327 15.862 ( -0.645 8.402 -8.407) 11.903 16.083 ( -0.612 -12.949 -7.894) 15.178 16.647 ( 1.411 7.347 -0.156) 7.483 16.698 ( -0.157 2.668 -0.827) 2.798 17.491 ( -0.722 -1.070 -0.737) 1.486 17.542 ( -2.846 -5.060 -0.964) 5.885 18.392 ( 2.405 8.056 -0.051) 8.407 18.437 ( 0.677 3.813 -0.030) 3.872 19.340 ( 0.205 33.942 3.405) 34.113 20.007 ( 0.175 -29.297 3.785) 29.541 20.744 ( -0.436 0.728 0.274) 0.892 20.853 ( 0.893 -11.083 0.860) 11.152 22.327 ( 0.075 24.146 0.986) 24.167 22.811 ( 0.085 -21.661 0.446) 21.665 ======================= Grid point 406 (217/224) ======================= q-point: ( 0.11 0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.040 ( -5.642 26.269 -1.807) 26.929 5.422 ( 9.595 18.449 -1.254) 20.833 5.546 ( -2.874 -19.968 -4.488) 20.667 5.726 ( 0.496 -9.389 -2.579) 9.750 6.549 ( 4.352 2.441 0.895) 5.069 6.642 ( 9.750 -6.178 0.678) 11.562 7.013 ( 25.620 19.959 -0.756) 32.486 7.386 ( 28.790 -15.641 -1.320) 32.791 8.671 ( -3.646 9.689 1.481) 10.458 8.856 ( -3.147 -8.381 0.088) 8.952 9.234 ( -1.847 4.785 1.152) 5.257 9.321 ( 1.055 -3.659 -0.200) 3.813 10.760 ( -6.965 13.117 -0.950) 14.882 10.888 ( -9.374 14.312 0.255) 17.110 10.929 ( 3.982 -0.863 -0.691) 4.133 11.113 ( -6.763 -6.093 -3.125) 9.624 11.544 ( -8.811 21.580 7.103) 24.367 11.705 ( -4.986 15.206 -2.895) 16.262 11.988 ( -9.809 -12.325 -0.920) 15.778 12.161 ( -2.058 -17.959 1.912) 18.177 12.727 ( 15.526 7.691 -1.241) 17.371 12.877 ( 18.536 -7.784 -0.657) 20.115 13.418 ( 29.918 8.354 3.333) 31.241 13.538 ( 27.150 -1.360 3.899) 27.462 13.799 ( -4.578 -5.063 1.472) 6.983 14.004 ( 0.194 -18.537 0.707) 18.552 14.736 ( -5.122 2.374 0.260) 5.651 14.846 ( -4.061 -8.211 0.094) 9.161 15.958 ( 11.266 8.260 -2.925) 14.272 16.156 ( 8.875 -10.766 -3.023) 14.276 16.640 ( -1.043 10.324 -1.692) 10.514 16.742 ( 0.702 0.743 -0.848) 1.328 17.279 ( -18.449 3.902 1.597) 18.925 17.404 ( -10.149 -8.966 2.973) 13.865 18.285 ( -8.463 6.216 -3.279) 11.001 18.352 ( -8.943 1.061 -2.085) 9.244 19.294 ( -6.876 33.499 1.737) 34.241 19.971 ( -6.590 -30.556 2.308) 31.343 20.806 ( 5.935 4.318 0.601) 7.365 20.977 ( 11.530 -10.970 -1.171) 15.958 22.279 ( -4.856 23.528 0.355) 24.026 22.754 ( -5.656 -21.271 0.023) 22.010 ======================= Grid point 407 (218/224) ======================= q-point: ( 0.22 0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.919 ( -5.931 21.916 -0.044) 22.704 5.362 ( -12.510 -20.937 -0.074) 24.390 5.651 ( 13.234 12.835 -1.214) 18.476 5.805 ( 8.379 -2.192 -2.759) 9.089 6.653 ( 4.746 7.090 0.552) 8.549 6.836 ( 7.854 -9.889 0.654) 12.645 7.734 ( 42.271 24.440 -0.929) 48.837 8.144 ( 43.474 -15.538 -2.894) 46.257 8.587 ( -4.592 9.593 1.182) 10.701 8.767 ( -4.764 -7.702 -0.538) 9.072 9.212 ( 0.690 4.544 0.864) 4.677 9.303 ( -2.314 -4.168 -1.976) 5.161 10.477 ( -13.237 20.266 -0.780) 24.219 10.834 ( -0.063 5.419 -0.783) 5.476 10.862 ( -11.069 -9.751 -1.159) 14.797 11.029 ( 2.794 -5.150 -4.085) 7.142 11.334 ( -12.052 19.652 1.064) 23.077 11.692 ( -3.937 -1.853 0.427) 4.372 11.851 ( 3.485 7.488 0.239) 8.262 12.233 ( 7.387 -17.415 0.613) 18.927 13.089 ( 17.229 11.415 -3.529) 20.966 13.251 ( 15.587 -3.765 -2.993) 16.312 13.657 ( -0.142 -6.818 3.096) 7.489 13.729 ( -5.961 -12.947 1.378) 14.320 14.147 ( 33.066 12.769 3.749) 35.643 14.406 ( 28.606 -11.699 3.787) 31.137 14.681 ( 2.277 2.414 2.477) 4.141 14.809 ( 2.326 -10.273 1.116) 10.592 16.165 ( 2.530 10.097 1.041) 10.461 16.314 ( 4.881 -3.308 0.355) 5.907 16.487 ( -14.833 9.952 2.524) 18.040 16.637 ( -8.063 -4.240 4.033) 9.963 16.985 ( -4.878 10.761 0.804) 11.842 17.262 ( -4.120 -15.484 1.237) 16.070 18.113 ( -6.221 2.327 -5.111) 8.381 18.143 ( -8.336 0.150 -4.383) 9.419 19.048 ( -18.210 31.551 -0.029) 36.429 19.704 ( -21.107 -30.938 0.660) 37.458 20.979 ( 10.601 12.368 -0.108) 16.290 21.253 ( 15.135 -13.274 -1.740) 20.206 22.152 ( -7.433 21.631 -0.189) 22.874 22.600 ( -9.126 -20.417 -0.347) 22.367 ======================= Grid point 408 (219/224) ======================= q-point: ( 0.33 0.46 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.820 ( -3.446 13.744 0.305) 14.173 5.104 ( -12.216 -13.569 -0.028) 18.258 5.942 ( 15.805 7.050 -1.449) 17.366 6.014 ( 12.324 -0.450 1.691) 12.448 6.711 ( 0.530 11.498 -0.799) 11.538 6.936 ( 1.976 -9.332 -1.800) 9.707 8.291 ( 3.659 22.151 3.038) 22.656 8.524 ( -4.598 3.085 -0.599) 5.569 8.724 ( 12.330 -0.561 -5.268) 13.420 8.796 ( 6.103 -4.174 -3.072) 8.007 9.338 ( 16.214 5.898 0.892) 17.276 9.529 ( 34.528 -11.354 2.694) 36.447 10.335 ( -1.351 17.622 -0.834) 17.694 10.666 ( -6.897 -9.048 -1.448) 11.469 10.819 ( -2.003 4.677 -1.551) 5.319 11.054 ( 0.598 -4.799 -4.511) 6.614 11.109 ( -10.869 12.663 2.148) 16.825 11.509 ( -10.721 -18.520 0.363) 21.402 12.130 ( 20.894 19.105 -0.587) 28.318 12.447 ( 14.149 -12.337 -1.845) 18.863 13.218 ( -0.091 10.207 -4.902) 11.323 13.414 ( 2.202 -4.276 -4.182) 6.373 13.650 ( -1.619 -7.639 2.753) 8.280 13.710 ( 0.291 -11.022 2.756) 11.365 14.637 ( -15.166 12.802 3.828) 20.213 14.678 ( 16.311 8.489 -1.145) 18.423 14.880 ( -2.843 -7.380 4.597) 9.147 14.950 ( 25.873 -14.560 -0.589) 29.694 16.110 ( 6.271 13.793 3.216) 15.489 16.259 ( 1.054 3.740 6.560) 7.624 16.437 ( -0.956 5.766 7.513) 9.519 16.618 ( 2.463 -6.085 7.494) 9.963 17.059 ( 7.772 1.245 1.435) 8.000 17.198 ( -1.462 -10.664 -0.335) 10.769 18.008 ( -2.014 2.272 -6.654) 7.314 18.044 ( 0.648 -1.835 -7.410) 7.661 18.582 ( -27.225 27.137 -1.352) 38.463 19.152 ( -33.205 -26.484 -0.772) 42.480 21.189 ( 9.664 16.444 -0.442) 19.079 21.526 ( 12.319 -15.430 -1.864) 19.832 22.002 ( -6.964 18.942 -0.367) 20.184 22.410 ( -9.123 -19.070 -0.453) 21.145 ======================= Grid point 409 (220/224) ======================= q-point: ( 0.44 0.46 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.801 ( 1.696 4.395 0.280) 4.719 4.902 ( -7.561 -5.250 -0.205) 9.208 6.225 ( 12.252 3.742 -3.345) 13.240 6.274 ( 9.754 -0.552 3.775) 10.474 6.681 ( -0.951 13.412 -1.039) 13.486 6.885 ( -5.433 -6.249 -6.210) 10.351 8.249 ( -3.993 16.941 5.940) 18.391 8.403 ( -5.350 2.714 1.826) 6.270 8.760 ( -2.260 2.355 -2.984) 4.423 8.797 ( -1.002 -1.475 -2.376) 2.971 9.877 ( 25.946 12.707 2.341) 28.985 10.185 ( 12.013 -12.407 1.063) 17.303 10.399 ( 14.051 10.489 -2.341) 17.690 10.542 ( -5.789 9.417 -1.657) 11.177 10.763 ( -1.452 -9.653 -1.201) 9.835 10.901 ( -9.768 9.062 1.727) 13.436 11.016 ( -3.081 -8.799 -2.899) 9.763 11.329 ( -5.805 -18.328 0.051) 19.226 12.601 ( 21.649 8.068 -1.811) 23.174 12.728 ( 10.076 -5.442 -2.868) 11.805 13.201 ( 1.497 9.376 -2.023) 9.708 13.374 ( -3.032 -5.829 -2.341) 6.975 13.647 ( -0.403 -3.342 1.919) 3.875 13.676 ( -1.864 -7.266 1.872) 7.731 14.084 ( -27.158 19.004 1.202) 33.168 14.423 ( -18.546 -13.134 1.731) 22.792 15.228 ( 20.910 11.429 -0.753) 23.841 15.474 ( 19.860 -11.603 -0.518) 23.007 16.032 ( -12.053 12.086 0.599) 17.080 16.298 ( -11.608 -12.896 0.914) 17.376 16.699 ( 28.076 18.718 12.163) 35.869 16.946 ( 19.109 -2.646 13.122) 23.331 17.196 ( 4.077 -1.149 2.478) 4.907 17.272 ( 8.959 -7.012 1.828) 11.523 17.875 ( -19.311 16.382 -5.728) 25.964 17.995 ( -4.011 -0.089 -13.809) 14.379 18.170 ( 1.048 0.075 -1.819) 2.100 18.435 ( -34.927 -18.498 1.104) 39.539 21.332 ( 4.164 18.088 -0.509) 18.568 21.703 ( 5.113 -16.409 -1.397) 17.244 21.893 ( -3.157 16.377 -0.338) 16.682 22.263 ( -4.373 -17.725 -0.542) 18.264 ======================= Grid point 410 (221/224) ======================= q-point: (-0.44 0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.811 ( -1.261 3.816 -0.612) 4.065 4.897 ( 7.761 -4.540 0.234) 8.994 6.232 ( -9.708 10.197 -3.890) 14.607 6.388 ( 0.348 -4.598 -6.385) 7.876 6.723 ( -3.733 4.868 -5.492) 8.234 6.786 ( 7.672 -0.086 2.733) 8.145 8.241 ( 0.273 16.285 7.537) 17.946 8.368 ( 0.732 4.724 4.601) 6.635 8.713 ( -1.893 2.681 1.002) 3.431 8.782 ( 0.106 -3.691 -0.737) 3.765 9.937 ( -24.086 11.425 -3.383) 26.872 10.193 ( -8.024 -9.856 0.695) 12.728 10.385 ( -8.375 15.100 -1.204) 17.309 10.504 ( -3.498 6.279 1.620) 7.368 10.755 ( 3.429 -3.637 -0.042) 4.999 10.928 ( 3.773 -18.054 2.485) 18.611 11.003 ( 8.088 8.785 -5.242) 13.041 11.327 ( 5.761 -17.051 0.176) 17.999 12.555 ( -24.585 8.219 2.475) 26.040 12.679 ( -13.081 -5.170 1.565) 14.153 13.195 ( -2.001 7.828 -1.549) 8.227 13.344 ( 1.295 -5.495 0.245) 5.651 13.671 ( 1.413 -3.101 -0.247) 3.417 13.703 ( 2.976 -7.724 -0.394) 8.287 14.107 ( 29.319 19.932 -0.944) 35.465 14.453 ( 20.783 -13.089 -0.986) 24.581 15.204 ( -22.022 11.371 1.521) 24.831 15.448 ( -21.793 -11.861 1.773) 24.875 16.048 ( 12.901 12.697 -0.942) 18.126 16.319 ( 12.144 -12.676 -0.949) 17.580 16.895 ( -21.582 22.558 -4.314) 31.516 17.094 ( -1.923 6.768 -1.591) 7.213 17.225 ( -1.382 -5.731 0.523) 5.918 17.388 ( -13.250 -15.130 -5.757) 20.919 17.689 ( 6.611 4.305 12.217) 14.542 17.764 ( 0.868 -0.092 2.378) 2.533 18.158 ( 6.592 8.669 -0.611) 10.908 18.449 ( 25.799 -15.905 -0.107) 30.308 21.331 ( -4.149 17.629 -0.337) 18.114 21.690 ( -5.901 -15.765 -0.213) 16.835 21.891 ( 3.094 16.478 -0.205) 16.768 22.267 ( 4.865 -18.174 -0.884) 18.835 ======================= Grid point 411 (222/224) ======================= q-point: (-0.33 0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.841 ( 4.366 13.153 -1.496) 13.939 5.105 ( 12.600 -12.389 -0.029) 17.670 5.964 ( -13.514 14.234 -5.076) 20.274 6.193 ( -11.769 -7.851 -13.619) 19.638 6.702 ( -0.163 10.045 -0.039) 10.046 6.902 ( 1.409 -8.161 1.200) 8.368 8.241 ( -9.023 20.912 7.717) 24.048 8.449 ( 3.969 5.139 6.876) 9.457 8.625 ( -11.754 0.122 3.137) 12.166 8.756 ( -4.657 -8.051 1.183) 9.375 9.384 ( -21.064 8.269 -2.993) 22.826 9.597 ( -32.663 -11.171 -3.637) 34.712 10.335 ( 0.778 19.364 -1.157) 19.415 10.602 ( 7.543 1.996 4.653) 9.085 10.833 ( 3.721 -6.672 -3.482) 8.395 10.918 ( -2.473 -5.383 8.053) 9.997 11.185 ( 8.691 9.582 -4.732) 13.775 11.502 ( 9.659 -16.424 0.507) 19.061 12.084 ( -19.718 18.111 3.941) 27.061 12.385 ( -13.310 -11.843 3.820) 18.221 13.172 ( -1.207 9.451 -0.696) 9.553 13.352 ( -2.861 -5.029 1.397) 5.952 13.697 ( 1.939 -6.544 -1.428) 6.973 13.755 ( 1.049 -10.719 -1.274) 10.845 14.652 ( -17.648 8.774 1.139) 19.742 14.701 ( 16.395 13.562 -1.973) 21.369 14.914 ( -19.975 -13.707 2.017) 24.310 14.957 ( 2.423 -8.198 -1.760) 8.728 16.152 ( -4.216 14.938 -1.321) 15.578 16.360 ( -2.956 -2.702 -2.602) 4.776 16.639 ( 2.531 13.310 -10.340) 17.043 16.824 ( -8.707 0.824 -9.789) 13.127 17.131 ( -9.654 -6.507 -5.906) 13.054 17.202 ( 2.576 -13.180 -0.391) 13.435 17.857 ( 4.838 1.214 6.804) 8.436 17.891 ( 4.772 -1.177 5.944) 7.713 18.521 ( 24.191 27.033 4.277) 36.528 19.070 ( 30.634 -24.813 6.841) 40.012 21.186 ( -9.532 15.443 -0.142) 18.148 21.500 ( -12.325 -14.182 0.487) 18.796 21.995 ( 6.709 18.959 0.208) 20.112 22.411 ( 8.964 -19.762 -0.522) 21.706 ======================= Grid point 412 (223/224) ======================= q-point: (-0.22 0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.953 ( 7.102 21.666 -2.955) 22.991 5.374 ( 13.515 -18.648 -0.946) 23.050 5.687 ( -11.847 15.518 -5.165) 20.195 5.912 ( -9.801 -5.799 -12.592) 16.978 6.655 ( -4.446 6.622 0.283) 7.981 6.844 ( -7.136 -10.506 -0.052) 12.701 7.700 ( -40.272 23.004 2.166) 46.430 8.081 ( -39.967 -14.314 2.644) 42.536 8.570 ( 4.745 9.210 4.011) 11.110 8.724 ( 3.268 -5.618 3.453) 7.360 9.208 ( -1.657 3.016 1.493) 3.752 9.274 ( -1.588 -3.395 0.155) 3.751 10.451 ( 11.202 21.691 1.531) 24.461 10.771 ( 5.525 7.501 3.604) 9.989 10.865 ( 2.217 -12.100 2.080) 12.476 10.946 ( 2.691 -4.206 1.504) 5.214 11.328 ( 7.747 16.195 0.307) 17.955 11.668 ( 5.348 -9.111 2.267) 10.805 11.847 ( -4.479 13.427 1.358) 14.219 12.217 ( -4.977 -16.008 2.666) 16.975 13.030 ( -15.126 10.844 1.337) 18.660 13.184 ( -14.370 -3.972 2.616) 15.137 13.710 ( -1.400 -6.807 -1.719) 7.159 13.775 ( 5.201 -12.755 -2.540) 14.007 14.181 ( -29.993 13.073 0.394) 32.721 14.451 ( -24.987 -12.684 -0.498) 28.026 14.743 ( -4.600 2.458 -2.397) 5.740 14.860 ( -6.446 -8.098 -3.251) 10.849 16.222 ( 4.737 11.199 -3.589) 12.678 16.354 ( -4.976 -1.943 -3.283) 6.270 16.608 ( 4.074 10.071 -9.279) 14.287 16.803 ( 0.670 -7.492 -11.033) 13.353 17.010 ( 8.425 11.472 -1.411) 14.303 17.301 ( 7.451 -16.049 -2.298) 17.843 18.004 ( 8.041 2.779 4.638) 9.690 18.055 ( 10.599 -1.063 3.545) 11.227 18.983 ( 18.072 31.779 6.010) 37.048 19.627 ( 20.782 -29.717 7.847) 37.102 20.977 ( -10.431 11.197 0.045) 15.303 21.224 ( -14.951 -11.863 0.811) 19.103 22.141 ( 7.195 21.551 0.794) 22.734 22.595 ( 8.961 -20.993 0.164) 22.827 ======================= Grid point 413 (224/224) ======================= q-point: (-0.11 0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.077 ( 6.512 26.706 -4.814) 27.907 5.432 ( -9.958 20.169 -2.867) 22.675 5.592 ( 5.384 -22.176 -6.939) 23.852 5.743 ( -2.157 -8.630 -5.623) 10.523 6.555 ( -4.723 1.936 0.326) 5.115 6.645 ( -11.004 -5.754 0.440) 12.426 7.009 ( -24.281 18.646 -0.418) 30.618 7.365 ( -27.238 -15.043 0.398) 31.119 8.667 ( 3.207 8.920 2.575) 9.822 8.823 ( 3.882 -6.117 3.185) 7.914 9.226 ( 1.655 2.428 1.886) 3.491 9.278 ( -0.510 -2.150 3.444) 4.092 10.698 ( 7.714 15.233 4.780) 17.731 10.867 ( -0.147 4.969 1.908) 5.324 10.927 ( 10.135 5.077 -0.423) 11.344 11.032 ( 2.526 -0.054 4.310) 4.996 11.547 ( 12.396 12.181 4.072) 17.851 11.728 ( 2.907 13.095 -2.061) 13.571 11.916 ( 7.682 -8.776 3.954) 12.315 12.197 ( 2.278 -15.862 0.526) 16.034 12.698 ( -14.160 8.019 1.005) 16.304 12.852 ( -16.671 -7.963 0.989) 18.502 13.474 ( -31.183 9.845 -1.767) 32.748 13.595 ( -24.729 -0.556 -1.266) 24.768 13.843 ( 1.390 -7.953 -2.520) 8.457 14.022 ( -3.359 -18.315 -0.759) 18.635 14.748 ( 3.800 2.611 -0.581) 4.647 14.853 ( 3.302 -7.488 -0.511) 8.200 16.039 ( -11.473 7.706 -10.360) 17.273 16.219 ( -7.115 -9.051 -8.994) 14.609 16.620 ( -0.132 10.768 0.192) 10.770 16.757 ( -2.791 -2.367 -1.833) 4.093 17.332 ( 16.411 5.377 -3.356) 17.592 17.481 ( 9.323 -9.671 -4.204) 14.075 18.215 ( 11.025 7.385 3.081) 13.623 18.306 ( 11.423 -0.091 2.027) 11.601 19.259 ( 7.229 33.737 5.029) 34.868 19.932 ( 7.009 -30.099 6.041) 31.489 20.811 ( -5.690 2.971 0.215) 6.423 20.950 ( -11.246 -9.298 1.217) 14.642 22.270 ( 4.850 23.489 1.178) 24.013 22.748 ( 5.710 -21.611 0.557) 22.360 =================== 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 3/34398 10.0 2179.018 3629.145 8191.227 0.000 643.601 0.000 3/34398 20.0 3652.933 5694.451 5198.415 0.000 150.784 0.000 3/34398 30.0 1781.179 1894.121 1883.352 0.000 17.525 0.000 3/34398 40.0 866.375 809.112 764.304 0.000 13.744 0.000 3/34398 50.0 472.805 424.048 378.073 0.000 7.636 0.000 3/34398 60.0 292.943 259.369 219.344 0.000 4.300 0.000 3/34398 70.0 200.768 176.633 142.885 0.000 2.609 0.000 3/34398 80.0 148.065 129.467 101.109 0.000 1.689 0.000 3/34398 90.0 115.185 99.969 75.962 0.000 1.152 0.000 3/34398 100.0 93.246 80.232 59.663 0.000 0.822 0.000 3/34398 110.0 77.824 66.341 48.478 0.000 0.610 0.000 3/34398 120.0 66.526 56.174 40.453 0.000 0.469 0.000 3/34398 130.0 57.969 48.495 34.487 0.000 0.372 0.000 3/34398 140.0 51.307 42.545 29.922 0.000 0.303 0.000 3/34398 150.0 46.000 37.831 26.344 0.000 0.252 0.000 3/34398 160.0 41.690 34.026 23.481 0.000 0.215 0.000 3/34398 170.0 38.128 30.904 21.152 0.000 0.186 0.000 3/34398 180.0 35.142 28.305 19.226 0.000 0.163 0.000 3/34398 190.0 32.605 26.114 17.613 0.000 0.145 0.000 3/34398 200.0 30.425 24.244 16.246 0.000 0.131 0.000 3/34398 210.0 28.533 22.632 15.075 0.000 0.119 0.000 3/34398 220.0 26.875 21.230 14.061 0.000 0.109 0.000 3/34398 230.0 25.411 19.999 13.177 0.000 0.101 0.000 3/34398 240.0 24.108 18.910 12.400 0.000 0.093 0.000 3/34398 250.0 22.940 17.941 11.711 0.000 0.087 0.000 3/34398 260.0 21.888 17.072 11.098 0.000 0.082 0.000 3/34398 270.0 20.934 16.289 10.547 0.000 0.077 0.000 3/34398 280.0 20.066 15.579 10.051 0.000 0.073 0.000 3/34398 290.0 19.271 14.932 9.601 0.000 0.069 0.000 3/34398 300.0 18.541 14.340 9.192 0.000 0.066 0.000 3/34398 310.0 17.867 13.797 8.817 0.000 0.063 0.000 3/34398 320.0 17.244 13.296 8.474 0.000 0.060 0.000 3/34398 330.0 16.665 12.832 8.157 0.000 0.057 0.000 3/34398 340.0 16.126 12.401 7.865 0.000 0.055 0.000 3/34398 350.0 15.623 12.001 7.593 0.000 0.053 0.000 3/34398 360.0 15.152 11.626 7.341 0.000 0.051 0.000 3/34398 370.0 14.709 11.276 7.106 0.000 0.049 0.000 3/34398 380.0 14.293 10.948 6.886 0.000 0.047 0.000 3/34398 390.0 13.901 10.639 6.680 0.000 0.046 0.000 3/34398 400.0 13.531 10.348 6.487 0.000 0.044 0.000 3/34398 410.0 13.181 10.073 6.305 0.000 0.043 0.000 3/34398 420.0 12.849 9.813 6.133 0.000 0.042 0.000 3/34398 430.0 12.534 9.567 5.971 0.000 0.041 0.000 3/34398 440.0 12.235 9.333 5.818 0.000 0.039 0.000 3/34398 450.0 11.950 9.111 5.672 0.000 0.038 0.000 3/34398 460.0 11.679 8.900 5.534 0.000 0.037 0.000 3/34398 470.0 11.420 8.698 5.403 0.000 0.036 0.000 3/34398 480.0 11.172 8.506 5.278 0.000 0.035 0.000 3/34398 490.0 10.936 8.323 5.160 0.000 0.035 0.000 3/34398 500.0 10.709 8.147 5.046 0.000 0.034 0.000 3/34398 510.0 10.492 7.979 4.938 0.000 0.033 0.000 3/34398 520.0 10.284 7.818 4.834 0.000 0.032 0.000 3/34398 530.0 10.084 7.664 4.735 0.000 0.032 0.000 3/34398 540.0 9.892 7.516 4.640 0.000 0.031 0.000 3/34398 550.0 9.707 7.373 4.548 0.000 0.030 0.000 3/34398 560.0 9.529 7.236 4.461 0.000 0.030 0.000 3/34398 570.0 9.357 7.104 4.377 0.000 0.029 0.000 3/34398 580.0 9.192 6.977 4.296 0.000 0.028 0.000 3/34398 590.0 9.033 6.855 4.218 0.000 0.028 0.000 3/34398 600.0 8.879 6.737 4.143 0.000 0.027 0.000 3/34398 610.0 8.730 6.622 4.070 0.000 0.027 0.000 3/34398 620.0 8.587 6.512 4.001 0.000 0.026 0.000 3/34398 630.0 8.448 6.406 3.933 0.000 0.026 0.000 3/34398 640.0 8.313 6.303 3.868 0.000 0.025 0.000 3/34398 650.0 8.183 6.203 3.805 0.000 0.025 0.000 3/34398 660.0 8.057 6.107 3.744 0.000 0.025 0.000 3/34398 670.0 7.935 6.013 3.686 0.000 0.024 0.000 3/34398 680.0 7.817 5.922 3.628 0.000 0.024 0.000 3/34398 690.0 7.702 5.835 3.573 0.000 0.023 0.000 3/34398 700.0 7.590 5.749 3.520 0.000 0.023 0.000 3/34398 710.0 7.482 5.667 3.468 0.000 0.023 0.000 3/34398 720.0 7.376 5.586 3.417 0.000 0.022 0.000 3/34398 730.0 7.274 5.508 3.369 0.000 0.022 0.000 3/34398 740.0 7.174 5.432 3.321 0.000 0.022 0.000 3/34398 750.0 7.078 5.358 3.275 0.000 0.021 0.000 3/34398 760.0 6.983 5.286 3.230 0.000 0.021 0.000 3/34398 770.0 6.892 5.216 3.186 0.000 0.021 0.000 3/34398 780.0 6.802 5.148 3.144 0.000 0.020 0.000 3/34398 790.0 6.715 5.082 3.103 0.000 0.020 0.000 3/34398 800.0 6.631 5.018 3.062 0.000 0.020 0.000 3/34398 810.0 6.548 4.955 3.023 0.000 0.020 0.000 3/34398 820.0 6.467 4.893 2.985 0.000 0.019 0.000 3/34398 830.0 6.389 4.833 2.948 0.000 0.019 0.000 3/34398 840.0 6.312 4.775 2.912 0.000 0.019 0.000 3/34398 850.0 6.237 4.718 2.876 0.000 0.019 0.000 3/34398 860.0 6.164 4.662 2.842 0.000 0.018 0.000 3/34398 870.0 6.093 4.608 2.808 0.000 0.018 0.000 3/34398 880.0 6.023 4.555 2.775 0.000 0.018 0.000 3/34398 890.0 5.955 4.503 2.743 0.000 0.018 0.000 3/34398 900.0 5.888 4.453 2.712 0.000 0.017 0.000 3/34398 910.0 5.823 4.403 2.681 0.000 0.017 0.000 3/34398 920.0 5.759 4.355 2.651 0.000 0.017 0.000 3/34398 930.0 5.697 4.307 2.622 0.000 0.017 0.000 3/34398 940.0 5.636 4.261 2.593 0.000 0.017 0.000 3/34398 950.0 5.576 4.216 2.565 0.000 0.016 0.000 3/34398 960.0 5.518 4.171 2.538 0.000 0.016 0.000 3/34398 970.0 5.460 4.128 2.511 0.000 0.016 0.000 3/34398 980.0 5.404 4.085 2.485 0.000 0.016 0.000 3/34398 990.0 5.350 4.044 2.459 0.000 0.016 0.000 3/34398 1000.0 5.296 4.003 2.434 0.000 0.016 0.000 3/34398 Thermal conductivity related properties were written into "kappa-m9137.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:23:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|