----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:32:48]------------------------- Compiled with OpenMP support (max 48 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: [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.292666910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.553223059999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.294346490000001 Atomic positions (fractional): *1 In 0.00000000000000 0.73533912087914 0.99879992151402 114.818 2 In 0.50000000000000 0.26466087912086 0.49879992151402 114.818 *3 O 0.00000000000000 0.52787234361110 0.63245936352300 15.999 4 O 0.50000000000000 0.47212765638890 0.13245936352300 15.999 *5 O 0.00000000000000 0.97713220082121 0.36531700873366 15.999 6 O 0.50000000000000 0.02286779917879 0.86531700873366 15.999 *7 H 0.00000000000000 0.78300155831361 0.48542371622933 1.008 8 H 0.50000000000000 0.21699844168639 0.98542371622933 1.008 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.292666910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.553223059999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.294346490000001 Atomic positions (fractional): *1 In 0.00000000000000 0.73533912087914 0.99879992151402 114.818 > 1 2 In 0.50000000000000 0.26466087912086 0.49879992151402 114.818 > 2 *3 O 0.00000000000000 0.52787234361110 0.63245936352300 15.999 > 3 4 O 0.50000000000000 0.47212765638890 0.13245936352300 15.999 > 4 *5 O 0.00000000000000 0.97713220082121 0.36531700873366 15.999 > 5 6 O 0.50000000000000 0.02286779917879 0.86531700873366 15.999 > 6 *7 H 0.00000000000000 0.78300155831361 0.48542371622933 1.008 > 7 8 H 0.50000000000000 0.21699844168639 0.98542371622933 1.008 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.878000730000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.659669179999996 0.000000000000000 c 0.000000000000000 0.000000000000000 10.588692980000001 Atomic positions (fractional): *1 In 0.00000000000000 0.24511304029305 0.49939996075701 114.818 > 1 2 In 0.33333333333333 0.24511304029305 0.49939996075701 114.818 > 1 3 In 0.66666666666667 0.24511304029305 0.49939996075701 114.818 > 1 4 In 0.00000000000000 0.57844637362638 0.49939996075701 114.818 > 1 5 In 0.33333333333333 0.57844637362638 0.49939996075701 114.818 > 1 6 In 0.66666666666667 0.57844637362638 0.49939996075701 114.818 > 1 7 In 0.00000000000000 0.91177970695971 0.49939996075701 114.818 > 1 8 In 0.33333333333333 0.91177970695971 0.49939996075701 114.818 > 1 9 In 0.66666666666667 0.91177970695971 0.49939996075701 114.818 > 1 10 In 0.00000000000000 0.24511304029305 0.99939996075701 114.818 > 1 11 In 0.33333333333333 0.24511304029305 0.99939996075701 114.818 > 1 12 In 0.66666666666667 0.24511304029305 0.99939996075701 114.818 > 1 13 In 0.00000000000000 0.57844637362638 0.99939996075701 114.818 > 1 14 In 0.33333333333333 0.57844637362638 0.99939996075701 114.818 > 1 15 In 0.66666666666667 0.57844637362638 0.99939996075701 114.818 > 1 16 In 0.00000000000000 0.91177970695971 0.99939996075701 114.818 > 1 17 In 0.33333333333333 0.91177970695971 0.99939996075701 114.818 > 1 18 In 0.66666666666667 0.91177970695971 0.99939996075701 114.818 > 1 19 In 0.16666666666667 0.08822029304029 0.24939996075701 114.818 > 2 20 In 0.50000000000000 0.08822029304029 0.24939996075701 114.818 > 2 21 In 0.83333333333333 0.08822029304029 0.24939996075701 114.818 > 2 22 In 0.16666666666667 0.42155362637362 0.24939996075701 114.818 > 2 23 In 0.50000000000000 0.42155362637362 0.24939996075701 114.818 > 2 24 In 0.83333333333333 0.42155362637362 0.24939996075701 114.818 > 2 25 In 0.16666666666667 0.75488695970695 0.24939996075701 114.818 > 2 26 In 0.50000000000000 0.75488695970695 0.24939996075701 114.818 > 2 27 In 0.83333333333333 0.75488695970695 0.24939996075701 114.818 > 2 28 In 0.16666666666667 0.08822029304029 0.74939996075701 114.818 > 2 29 In 0.50000000000000 0.08822029304029 0.74939996075701 114.818 > 2 30 In 0.83333333333333 0.08822029304029 0.74939996075701 114.818 > 2 31 In 0.16666666666667 0.42155362637362 0.74939996075701 114.818 > 2 32 In 0.50000000000000 0.42155362637362 0.74939996075701 114.818 > 2 33 In 0.83333333333333 0.42155362637362 0.74939996075701 114.818 > 2 34 In 0.16666666666667 0.75488695970695 0.74939996075701 114.818 > 2 35 In 0.50000000000000 0.75488695970695 0.74939996075701 114.818 > 2 36 In 0.83333333333333 0.75488695970695 0.74939996075701 114.818 > 2 *37 O 0.00000000000000 0.17595744787037 0.31622968176150 15.999 > 3 38 O 0.33333333333333 0.17595744787037 0.31622968176150 15.999 > 3 39 O 0.66666666666667 0.17595744787037 0.31622968176150 15.999 > 3 40 O 0.00000000000000 0.50929078120370 0.31622968176150 15.999 > 3 41 O 0.33333333333333 0.50929078120370 0.31622968176150 15.999 > 3 42 O 0.66666666666667 0.50929078120370 0.31622968176150 15.999 > 3 43 O 0.00000000000000 0.84262411453703 0.31622968176150 15.999 > 3 44 O 0.33333333333333 0.84262411453703 0.31622968176150 15.999 > 3 45 O 0.66666666666667 0.84262411453703 0.31622968176150 15.999 > 3 46 O 0.00000000000000 0.17595744787037 0.81622968176150 15.999 > 3 47 O 0.33333333333333 0.17595744787037 0.81622968176150 15.999 > 3 48 O 0.66666666666667 0.17595744787037 0.81622968176150 15.999 > 3 49 O 0.00000000000000 0.50929078120370 0.81622968176150 15.999 > 3 50 O 0.33333333333333 0.50929078120370 0.81622968176150 15.999 > 3 51 O 0.66666666666667 0.50929078120370 0.81622968176150 15.999 > 3 52 O 0.00000000000000 0.84262411453703 0.81622968176150 15.999 > 3 53 O 0.33333333333333 0.84262411453703 0.81622968176150 15.999 > 3 54 O 0.66666666666667 0.84262411453703 0.81622968176150 15.999 > 3 55 O 0.16666666666667 0.15737588546297 0.06622968176150 15.999 > 4 56 O 0.50000000000000 0.15737588546297 0.06622968176150 15.999 > 4 57 O 0.83333333333333 0.15737588546297 0.06622968176150 15.999 > 4 58 O 0.16666666666667 0.49070921879630 0.06622968176150 15.999 > 4 59 O 0.50000000000000 0.49070921879630 0.06622968176150 15.999 > 4 60 O 0.83333333333333 0.49070921879630 0.06622968176150 15.999 > 4 61 O 0.16666666666667 0.82404255212963 0.06622968176150 15.999 > 4 62 O 0.50000000000000 0.82404255212963 0.06622968176150 15.999 > 4 63 O 0.83333333333333 0.82404255212963 0.06622968176150 15.999 > 4 64 O 0.16666666666667 0.15737588546297 0.56622968176150 15.999 > 4 65 O 0.50000000000000 0.15737588546297 0.56622968176150 15.999 > 4 66 O 0.83333333333333 0.15737588546297 0.56622968176150 15.999 > 4 67 O 0.16666666666667 0.49070921879630 0.56622968176150 15.999 > 4 68 O 0.50000000000000 0.49070921879630 0.56622968176150 15.999 > 4 69 O 0.83333333333333 0.49070921879630 0.56622968176150 15.999 > 4 70 O 0.16666666666667 0.82404255212963 0.56622968176150 15.999 > 4 71 O 0.50000000000000 0.82404255212963 0.56622968176150 15.999 > 4 72 O 0.83333333333333 0.82404255212963 0.56622968176150 15.999 > 4 *73 O 0.00000000000000 0.32571073360707 0.18265850436683 15.999 > 5 74 O 0.33333333333333 0.32571073360707 0.18265850436683 15.999 > 5 75 O 0.66666666666667 0.32571073360707 0.18265850436683 15.999 > 5 76 O 0.00000000000000 0.65904406694040 0.18265850436683 15.999 > 5 77 O 0.33333333333333 0.65904406694040 0.18265850436683 15.999 > 5 78 O 0.66666666666667 0.65904406694040 0.18265850436683 15.999 > 5 79 O 0.00000000000000 0.99237740027374 0.18265850436683 15.999 > 5 80 O 0.33333333333333 0.99237740027374 0.18265850436683 15.999 > 5 81 O 0.66666666666667 0.99237740027374 0.18265850436683 15.999 > 5 82 O 0.00000000000000 0.32571073360707 0.68265850436683 15.999 > 5 83 O 0.33333333333333 0.32571073360707 0.68265850436683 15.999 > 5 84 O 0.66666666666667 0.32571073360707 0.68265850436683 15.999 > 5 85 O 0.00000000000000 0.65904406694040 0.68265850436683 15.999 > 5 86 O 0.33333333333333 0.65904406694040 0.68265850436683 15.999 > 5 87 O 0.66666666666667 0.65904406694040 0.68265850436683 15.999 > 5 88 O 0.00000000000000 0.99237740027374 0.68265850436683 15.999 > 5 89 O 0.33333333333333 0.99237740027374 0.68265850436683 15.999 > 5 90 O 0.66666666666667 0.99237740027374 0.68265850436683 15.999 > 5 91 O 0.16666666666667 0.00762259972626 0.43265850436683 15.999 > 6 92 O 0.50000000000000 0.00762259972626 0.43265850436683 15.999 > 6 93 O 0.83333333333333 0.00762259972626 0.43265850436683 15.999 > 6 94 O 0.16666666666667 0.34095593305960 0.43265850436683 15.999 > 6 95 O 0.50000000000000 0.34095593305960 0.43265850436683 15.999 > 6 96 O 0.83333333333333 0.34095593305960 0.43265850436683 15.999 > 6 97 O 0.16666666666667 0.67428926639293 0.43265850436683 15.999 > 6 98 O 0.50000000000000 0.67428926639293 0.43265850436683 15.999 > 6 99 O 0.83333333333333 0.67428926639293 0.43265850436683 15.999 > 6 100 O 0.16666666666667 0.00762259972626 0.93265850436683 15.999 > 6 101 O 0.50000000000000 0.00762259972626 0.93265850436683 15.999 > 6 102 O 0.83333333333333 0.00762259972626 0.93265850436683 15.999 > 6 103 O 0.16666666666667 0.34095593305960 0.93265850436683 15.999 > 6 104 O 0.50000000000000 0.34095593305960 0.93265850436683 15.999 > 6 105 O 0.83333333333333 0.34095593305960 0.93265850436683 15.999 > 6 106 O 0.16666666666667 0.67428926639293 0.93265850436683 15.999 > 6 107 O 0.50000000000000 0.67428926639293 0.93265850436683 15.999 > 6 108 O 0.83333333333333 0.67428926639293 0.93265850436683 15.999 > 6 *109 H 0.00000000000000 0.26100051943787 0.24271185811466 1.008 > 7 110 H 0.33333333333333 0.26100051943787 0.24271185811466 1.008 > 7 111 H 0.66666666666667 0.26100051943787 0.24271185811466 1.008 > 7 112 H 0.00000000000000 0.59433385277120 0.24271185811466 1.008 > 7 113 H 0.33333333333333 0.59433385277120 0.24271185811466 1.008 > 7 114 H 0.66666666666667 0.59433385277120 0.24271185811466 1.008 > 7 115 H 0.00000000000000 0.92766718610454 0.24271185811466 1.008 > 7 116 H 0.33333333333333 0.92766718610454 0.24271185811466 1.008 > 7 117 H 0.66666666666667 0.92766718610454 0.24271185811466 1.008 > 7 118 H 0.00000000000000 0.26100051943787 0.74271185811466 1.008 > 7 119 H 0.33333333333333 0.26100051943787 0.74271185811466 1.008 > 7 120 H 0.66666666666667 0.26100051943787 0.74271185811466 1.008 > 7 121 H 0.00000000000000 0.59433385277120 0.74271185811466 1.008 > 7 122 H 0.33333333333333 0.59433385277120 0.74271185811466 1.008 > 7 123 H 0.66666666666667 0.59433385277120 0.74271185811466 1.008 > 7 124 H 0.00000000000000 0.92766718610454 0.74271185811466 1.008 > 7 125 H 0.33333333333333 0.92766718610454 0.74271185811466 1.008 > 7 126 H 0.66666666666667 0.92766718610454 0.74271185811466 1.008 > 7 127 H 0.16666666666667 0.07233281389546 0.49271185811466 1.008 > 8 128 H 0.50000000000000 0.07233281389546 0.49271185811466 1.008 > 8 129 H 0.83333333333333 0.07233281389546 0.49271185811466 1.008 > 8 130 H 0.16666666666667 0.40566614722880 0.49271185811466 1.008 > 8 131 H 0.50000000000000 0.40566614722880 0.49271185811466 1.008 > 8 132 H 0.83333333333333 0.40566614722880 0.49271185811466 1.008 > 8 133 H 0.16666666666667 0.73899948056213 0.49271185811466 1.008 > 8 134 H 0.50000000000000 0.73899948056213 0.49271185811466 1.008 > 8 135 H 0.83333333333333 0.73899948056213 0.49271185811466 1.008 > 8 136 H 0.16666666666667 0.07233281389546 0.99271185811466 1.008 > 8 137 H 0.50000000000000 0.07233281389546 0.99271185811466 1.008 > 8 138 H 0.83333333333333 0.07233281389546 0.99271185811466 1.008 > 8 139 H 0.16666666666667 0.40566614722880 0.99271185811466 1.008 > 8 140 H 0.50000000000000 0.40566614722880 0.99271185811466 1.008 > 8 141 H 0.83333333333333 0.40566614722880 0.99271185811466 1.008 > 8 142 H 0.16666666666667 0.73899948056213 0.99271185811466 1.008 > 8 143 H 0.50000000000000 0.73899948056213 0.99271185811466 1.008 > 8 144 H 0.83333333333333 0.73899948056213 0.99271185811466 1.008 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2742296 0.0000000 0.0000000 0.0000000 4.4103206 0.0000000 0.0000000 0.0000000 4.3477675 -------------------------- Born effective charges -------------------------- 1 In 3.4356982 0.0000000 0.0000000 0.0000000 3.1241548 0.2263826 0.0000000 0.0144368 3.3535485 2 In 3.4356982 0.0000000 0.0000000 0.0000000 3.1241548 -0.2263826 0.0000000 -0.0144368 3.3535485 3 O -1.9409660 0.0000000 0.0000000 0.0000000 -2.3442498 0.0150776 0.0000000 -0.0501118 -2.1986856 4 O -1.9409660 0.0000000 0.0000000 0.0000000 -2.3442498 -0.0150776 0.0000000 0.0501118 -2.1986856 5 O -1.6625215 0.0000000 0.0000000 0.0000000 -2.4953525 0.1269289 0.0000000 0.0827701 -2.0069151 6 O -1.6625215 0.0000000 0.0000000 0.0000000 -2.4953525 -0.1269289 0.0000000 -0.0827701 -2.0069151 7 H 0.1677892 0.0000000 0.0000000 0.0000000 1.7154475 -1.0590020 0.0000000 -0.9274886 0.8520522 8 H 0.1677892 0.0000000 0.0000000 0.0000000 1.7154475 1.0590020 0.0000000 0.9274886 0.8520522 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 5784/5784 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1368 Number of blocks in projector: 1368 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1368, 1348), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (200, 196), data: True |-- (200, 196), data: True |-- (200, 196), data: True |-- (384, 376), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.013 Solver_block: 100 / 240 - Time: 0.657 Solver_block: 200 / 240 - Time: 0.651 Solver_block: 240 / 240 - Time: 0.359 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.704 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 5784/5784 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1368 Number of blocks in projector: 1368 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1368, 1348), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (200, 196), data: True |-- (200, 196), data: True |-- (200, 196), data: True |-- (384, 376), 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 09:33:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:33:06]------------------------- Compiled with OpenMP support (max 48 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): [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.292666910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.553223059999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.294346490000001 Atomic positions (fractional): 1 In 0.00000000000000 0.73533912087914 0.99879992151402 114.818 2 In 0.50000000000000 0.26466087912086 0.49879992151402 114.818 3 O 0.00000000000000 0.52787234361110 0.63245936352300 15.999 4 O 0.50000000000000 0.47212765638890 0.13245936352300 15.999 5 O 0.00000000000000 0.97713220082121 0.36531700873366 15.999 6 O 0.50000000000000 0.02286779917879 0.86531700873366 15.999 7 H 0.00000000000000 0.78300155831361 0.48542371622933 1.008 8 H 0.50000000000000 0.21699844168639 0.98542371622933 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.878000730000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.659669179999996 0.000000000000000 c 0.000000000000000 0.000000000000000 10.588692980000001 Atomic positions (fractional): 1 In 0.00000000000000 0.24511304029305 0.49939996075701 114.818 > 1 2 In 0.33333333333333 0.24511304029305 0.49939996075701 114.818 > 1 3 In 0.66666666666667 0.24511304029305 0.49939996075701 114.818 > 1 4 In 0.00000000000000 0.57844637362638 0.49939996075701 114.818 > 1 5 In 0.33333333333333 0.57844637362638 0.49939996075701 114.818 > 1 6 In 0.66666666666667 0.57844637362638 0.49939996075701 114.818 > 1 7 In 0.00000000000000 0.91177970695971 0.49939996075701 114.818 > 1 8 In 0.33333333333333 0.91177970695971 0.49939996075701 114.818 > 1 9 In 0.66666666666667 0.91177970695971 0.49939996075701 114.818 > 1 10 In 0.00000000000000 0.24511304029305 0.99939996075701 114.818 > 1 11 In 0.33333333333333 0.24511304029305 0.99939996075701 114.818 > 1 12 In 0.66666666666667 0.24511304029305 0.99939996075701 114.818 > 1 13 In 0.00000000000000 0.57844637362638 0.99939996075701 114.818 > 1 14 In 0.33333333333333 0.57844637362638 0.99939996075701 114.818 > 1 15 In 0.66666666666667 0.57844637362638 0.99939996075701 114.818 > 1 16 In 0.00000000000000 0.91177970695971 0.99939996075701 114.818 > 1 17 In 0.33333333333333 0.91177970695971 0.99939996075701 114.818 > 1 18 In 0.66666666666667 0.91177970695971 0.99939996075701 114.818 > 1 19 In 0.16666666666667 0.08822029304029 0.24939996075701 114.818 > 19 20 In 0.50000000000000 0.08822029304029 0.24939996075701 114.818 > 19 21 In 0.83333333333333 0.08822029304029 0.24939996075701 114.818 > 19 22 In 0.16666666666667 0.42155362637362 0.24939996075701 114.818 > 19 23 In 0.50000000000000 0.42155362637362 0.24939996075701 114.818 > 19 24 In 0.83333333333333 0.42155362637362 0.24939996075701 114.818 > 19 25 In 0.16666666666667 0.75488695970695 0.24939996075701 114.818 > 19 26 In 0.50000000000000 0.75488695970695 0.24939996075701 114.818 > 19 27 In 0.83333333333333 0.75488695970695 0.24939996075701 114.818 > 19 28 In 0.16666666666667 0.08822029304029 0.74939996075701 114.818 > 19 29 In 0.50000000000000 0.08822029304029 0.74939996075701 114.818 > 19 30 In 0.83333333333333 0.08822029304029 0.74939996075701 114.818 > 19 31 In 0.16666666666667 0.42155362637362 0.74939996075701 114.818 > 19 32 In 0.50000000000000 0.42155362637362 0.74939996075701 114.818 > 19 33 In 0.83333333333333 0.42155362637362 0.74939996075701 114.818 > 19 34 In 0.16666666666667 0.75488695970695 0.74939996075701 114.818 > 19 35 In 0.50000000000000 0.75488695970695 0.74939996075701 114.818 > 19 36 In 0.83333333333333 0.75488695970695 0.74939996075701 114.818 > 19 37 O 0.00000000000000 0.17595744787037 0.31622968176150 15.999 > 37 38 O 0.33333333333333 0.17595744787037 0.31622968176150 15.999 > 37 39 O 0.66666666666667 0.17595744787037 0.31622968176150 15.999 > 37 40 O 0.00000000000000 0.50929078120370 0.31622968176150 15.999 > 37 41 O 0.33333333333333 0.50929078120370 0.31622968176150 15.999 > 37 42 O 0.66666666666667 0.50929078120370 0.31622968176150 15.999 > 37 43 O 0.00000000000000 0.84262411453703 0.31622968176150 15.999 > 37 44 O 0.33333333333333 0.84262411453703 0.31622968176150 15.999 > 37 45 O 0.66666666666667 0.84262411453703 0.31622968176150 15.999 > 37 46 O 0.00000000000000 0.17595744787037 0.81622968176150 15.999 > 37 47 O 0.33333333333333 0.17595744787037 0.81622968176150 15.999 > 37 48 O 0.66666666666667 0.17595744787037 0.81622968176150 15.999 > 37 49 O 0.00000000000000 0.50929078120370 0.81622968176150 15.999 > 37 50 O 0.33333333333333 0.50929078120370 0.81622968176150 15.999 > 37 51 O 0.66666666666667 0.50929078120370 0.81622968176150 15.999 > 37 52 O 0.00000000000000 0.84262411453703 0.81622968176150 15.999 > 37 53 O 0.33333333333333 0.84262411453703 0.81622968176150 15.999 > 37 54 O 0.66666666666667 0.84262411453703 0.81622968176150 15.999 > 37 55 O 0.16666666666667 0.15737588546297 0.06622968176150 15.999 > 55 56 O 0.50000000000000 0.15737588546297 0.06622968176150 15.999 > 55 57 O 0.83333333333333 0.15737588546297 0.06622968176150 15.999 > 55 58 O 0.16666666666667 0.49070921879630 0.06622968176150 15.999 > 55 59 O 0.50000000000000 0.49070921879630 0.06622968176150 15.999 > 55 60 O 0.83333333333333 0.49070921879630 0.06622968176150 15.999 > 55 61 O 0.16666666666667 0.82404255212963 0.06622968176150 15.999 > 55 62 O 0.50000000000000 0.82404255212963 0.06622968176150 15.999 > 55 63 O 0.83333333333333 0.82404255212963 0.06622968176150 15.999 > 55 64 O 0.16666666666667 0.15737588546297 0.56622968176150 15.999 > 55 65 O 0.50000000000000 0.15737588546297 0.56622968176150 15.999 > 55 66 O 0.83333333333333 0.15737588546297 0.56622968176150 15.999 > 55 67 O 0.16666666666667 0.49070921879630 0.56622968176150 15.999 > 55 68 O 0.50000000000000 0.49070921879630 0.56622968176150 15.999 > 55 69 O 0.83333333333333 0.49070921879630 0.56622968176150 15.999 > 55 70 O 0.16666666666667 0.82404255212963 0.56622968176150 15.999 > 55 71 O 0.50000000000000 0.82404255212963 0.56622968176150 15.999 > 55 72 O 0.83333333333333 0.82404255212963 0.56622968176150 15.999 > 55 73 O 0.00000000000000 0.32571073360707 0.18265850436683 15.999 > 73 74 O 0.33333333333333 0.32571073360707 0.18265850436683 15.999 > 73 75 O 0.66666666666667 0.32571073360707 0.18265850436683 15.999 > 73 76 O 0.00000000000000 0.65904406694040 0.18265850436683 15.999 > 73 77 O 0.33333333333333 0.65904406694040 0.18265850436683 15.999 > 73 78 O 0.66666666666667 0.65904406694040 0.18265850436683 15.999 > 73 79 O 0.00000000000000 0.99237740027374 0.18265850436683 15.999 > 73 80 O 0.33333333333333 0.99237740027374 0.18265850436683 15.999 > 73 81 O 0.66666666666667 0.99237740027374 0.18265850436683 15.999 > 73 82 O 0.00000000000000 0.32571073360707 0.68265850436683 15.999 > 73 83 O 0.33333333333333 0.32571073360707 0.68265850436683 15.999 > 73 84 O 0.66666666666667 0.32571073360707 0.68265850436683 15.999 > 73 85 O 0.00000000000000 0.65904406694040 0.68265850436683 15.999 > 73 86 O 0.33333333333333 0.65904406694040 0.68265850436683 15.999 > 73 87 O 0.66666666666667 0.65904406694040 0.68265850436683 15.999 > 73 88 O 0.00000000000000 0.99237740027374 0.68265850436683 15.999 > 73 89 O 0.33333333333333 0.99237740027374 0.68265850436683 15.999 > 73 90 O 0.66666666666667 0.99237740027374 0.68265850436683 15.999 > 73 91 O 0.16666666666667 0.00762259972626 0.43265850436683 15.999 > 91 92 O 0.50000000000000 0.00762259972626 0.43265850436683 15.999 > 91 93 O 0.83333333333333 0.00762259972626 0.43265850436683 15.999 > 91 94 O 0.16666666666667 0.34095593305960 0.43265850436683 15.999 > 91 95 O 0.50000000000000 0.34095593305960 0.43265850436683 15.999 > 91 96 O 0.83333333333333 0.34095593305960 0.43265850436683 15.999 > 91 97 O 0.16666666666667 0.67428926639293 0.43265850436683 15.999 > 91 98 O 0.50000000000000 0.67428926639293 0.43265850436683 15.999 > 91 99 O 0.83333333333333 0.67428926639293 0.43265850436683 15.999 > 91 100 O 0.16666666666667 0.00762259972626 0.93265850436683 15.999 > 91 101 O 0.50000000000000 0.00762259972626 0.93265850436683 15.999 > 91 102 O 0.83333333333333 0.00762259972626 0.93265850436683 15.999 > 91 103 O 0.16666666666667 0.34095593305960 0.93265850436683 15.999 > 91 104 O 0.50000000000000 0.34095593305960 0.93265850436683 15.999 > 91 105 O 0.83333333333333 0.34095593305960 0.93265850436683 15.999 > 91 106 O 0.16666666666667 0.67428926639293 0.93265850436683 15.999 > 91 107 O 0.50000000000000 0.67428926639293 0.93265850436683 15.999 > 91 108 O 0.83333333333333 0.67428926639293 0.93265850436683 15.999 > 91 109 H 0.00000000000000 0.26100051943787 0.24271185811466 1.008 > 109 110 H 0.33333333333333 0.26100051943787 0.24271185811466 1.008 > 109 111 H 0.66666666666667 0.26100051943787 0.24271185811466 1.008 > 109 112 H 0.00000000000000 0.59433385277120 0.24271185811466 1.008 > 109 113 H 0.33333333333333 0.59433385277120 0.24271185811466 1.008 > 109 114 H 0.66666666666667 0.59433385277120 0.24271185811466 1.008 > 109 115 H 0.00000000000000 0.92766718610454 0.24271185811466 1.008 > 109 116 H 0.33333333333333 0.92766718610454 0.24271185811466 1.008 > 109 117 H 0.66666666666667 0.92766718610454 0.24271185811466 1.008 > 109 118 H 0.00000000000000 0.26100051943787 0.74271185811466 1.008 > 109 119 H 0.33333333333333 0.26100051943787 0.74271185811466 1.008 > 109 120 H 0.66666666666667 0.26100051943787 0.74271185811466 1.008 > 109 121 H 0.00000000000000 0.59433385277120 0.74271185811466 1.008 > 109 122 H 0.33333333333333 0.59433385277120 0.74271185811466 1.008 > 109 123 H 0.66666666666667 0.59433385277120 0.74271185811466 1.008 > 109 124 H 0.00000000000000 0.92766718610454 0.74271185811466 1.008 > 109 125 H 0.33333333333333 0.92766718610454 0.74271185811466 1.008 > 109 126 H 0.66666666666667 0.92766718610454 0.74271185811466 1.008 > 109 127 H 0.16666666666667 0.07233281389546 0.49271185811466 1.008 > 127 128 H 0.50000000000000 0.07233281389546 0.49271185811466 1.008 > 127 129 H 0.83333333333333 0.07233281389546 0.49271185811466 1.008 > 127 130 H 0.16666666666667 0.40566614722880 0.49271185811466 1.008 > 127 131 H 0.50000000000000 0.40566614722880 0.49271185811466 1.008 > 127 132 H 0.83333333333333 0.40566614722880 0.49271185811466 1.008 > 127 133 H 0.16666666666667 0.73899948056213 0.49271185811466 1.008 > 127 134 H 0.50000000000000 0.73899948056213 0.49271185811466 1.008 > 127 135 H 0.83333333333333 0.73899948056213 0.49271185811466 1.008 > 127 136 H 0.16666666666667 0.07233281389546 0.99271185811466 1.008 > 127 137 H 0.50000000000000 0.07233281389546 0.99271185811466 1.008 > 127 138 H 0.83333333333333 0.07233281389546 0.99271185811466 1.008 > 127 139 H 0.16666666666667 0.40566614722880 0.99271185811466 1.008 > 127 140 H 0.50000000000000 0.40566614722880 0.99271185811466 1.008 > 127 141 H 0.83333333333333 0.40566614722880 0.99271185811466 1.008 > 127 142 H 0.16666666666667 0.73899948056213 0.99271185811466 1.008 > 127 143 H 0.50000000000000 0.73899948056213 0.99271185811466 1.008 > 127 144 H 0.83333333333333 0.73899948056213 0.99271185811466 1.008 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2742296 0.0000000 0.0000000 0.0000000 4.4103206 0.0000000 0.0000000 0.0000000 4.3477675 -------------------------- Born effective charges -------------------------- 1 In 3.4356982 0.0000000 0.0000000 0.0000000 3.1241548 0.2263826 0.0000000 0.0144368 3.3535485 2 In 3.4356982 0.0000000 0.0000000 0.0000000 3.1241548 -0.2263826 0.0000000 -0.0144368 3.3535485 3 O -1.9409660 0.0000000 0.0000000 0.0000000 -2.3442498 0.0150776 0.0000000 -0.0501118 -2.1986856 4 O -1.9409660 0.0000000 0.0000000 0.0000000 -2.3442498 -0.0150776 0.0000000 0.0501118 -2.1986856 5 O -1.6625215 0.0000000 0.0000000 0.0000000 -2.4953525 0.1269289 0.0000000 0.0827701 -2.0069151 6 O -1.6625215 0.0000000 0.0000000 0.0000000 -2.4953525 -0.1269289 0.0000000 -0.0827701 -2.0069151 7 H 0.1677892 0.0000000 0.0000000 0.0000000 1.7154475 -1.0590020 0.0000000 -0.9274886 0.8520522 8 H 0.1677892 0.0000000 0.0000000 0.0000000 1.7154475 1.0590020 0.0000000 0.9274886 0.8520522 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 109, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yzy) -0.00000000 (yzy) -0.00000000 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:33:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:33:28]------------------------- Compiled with OpenMP support (max 48 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): [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.292666910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.553223059999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.294346490000001 Atomic positions (fractional): 1 In 0.00000000000000 0.73533912087914 0.99879992151402 114.818 2 In 0.50000000000000 0.26466087912086 0.49879992151402 114.818 3 O 0.00000000000000 0.52787234361110 0.63245936352300 15.999 4 O 0.50000000000000 0.47212765638890 0.13245936352300 15.999 5 O 0.00000000000000 0.97713220082121 0.36531700873366 15.999 6 O 0.50000000000000 0.02286779917879 0.86531700873366 15.999 7 H 0.00000000000000 0.78300155831361 0.48542371622933 1.008 8 H 0.50000000000000 0.21699844168639 0.98542371622933 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.878000730000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.659669179999996 0.000000000000000 c 0.000000000000000 0.000000000000000 10.588692980000001 Atomic positions (fractional): 1 In 0.00000000000000 0.24511304029305 0.49939996075701 114.818 > 1 2 In 0.33333333333333 0.24511304029305 0.49939996075701 114.818 > 1 3 In 0.66666666666667 0.24511304029305 0.49939996075701 114.818 > 1 4 In 0.00000000000000 0.57844637362638 0.49939996075701 114.818 > 1 5 In 0.33333333333333 0.57844637362638 0.49939996075701 114.818 > 1 6 In 0.66666666666667 0.57844637362638 0.49939996075701 114.818 > 1 7 In 0.00000000000000 0.91177970695971 0.49939996075701 114.818 > 1 8 In 0.33333333333333 0.91177970695971 0.49939996075701 114.818 > 1 9 In 0.66666666666667 0.91177970695971 0.49939996075701 114.818 > 1 10 In 0.00000000000000 0.24511304029305 0.99939996075701 114.818 > 1 11 In 0.33333333333333 0.24511304029305 0.99939996075701 114.818 > 1 12 In 0.66666666666667 0.24511304029305 0.99939996075701 114.818 > 1 13 In 0.00000000000000 0.57844637362638 0.99939996075701 114.818 > 1 14 In 0.33333333333333 0.57844637362638 0.99939996075701 114.818 > 1 15 In 0.66666666666667 0.57844637362638 0.99939996075701 114.818 > 1 16 In 0.00000000000000 0.91177970695971 0.99939996075701 114.818 > 1 17 In 0.33333333333333 0.91177970695971 0.99939996075701 114.818 > 1 18 In 0.66666666666667 0.91177970695971 0.99939996075701 114.818 > 1 19 In 0.16666666666667 0.08822029304029 0.24939996075701 114.818 > 19 20 In 0.50000000000000 0.08822029304029 0.24939996075701 114.818 > 19 21 In 0.83333333333333 0.08822029304029 0.24939996075701 114.818 > 19 22 In 0.16666666666667 0.42155362637362 0.24939996075701 114.818 > 19 23 In 0.50000000000000 0.42155362637362 0.24939996075701 114.818 > 19 24 In 0.83333333333333 0.42155362637362 0.24939996075701 114.818 > 19 25 In 0.16666666666667 0.75488695970695 0.24939996075701 114.818 > 19 26 In 0.50000000000000 0.75488695970695 0.24939996075701 114.818 > 19 27 In 0.83333333333333 0.75488695970695 0.24939996075701 114.818 > 19 28 In 0.16666666666667 0.08822029304029 0.74939996075701 114.818 > 19 29 In 0.50000000000000 0.08822029304029 0.74939996075701 114.818 > 19 30 In 0.83333333333333 0.08822029304029 0.74939996075701 114.818 > 19 31 In 0.16666666666667 0.42155362637362 0.74939996075701 114.818 > 19 32 In 0.50000000000000 0.42155362637362 0.74939996075701 114.818 > 19 33 In 0.83333333333333 0.42155362637362 0.74939996075701 114.818 > 19 34 In 0.16666666666667 0.75488695970695 0.74939996075701 114.818 > 19 35 In 0.50000000000000 0.75488695970695 0.74939996075701 114.818 > 19 36 In 0.83333333333333 0.75488695970695 0.74939996075701 114.818 > 19 37 O 0.00000000000000 0.17595744787037 0.31622968176150 15.999 > 37 38 O 0.33333333333333 0.17595744787037 0.31622968176150 15.999 > 37 39 O 0.66666666666667 0.17595744787037 0.31622968176150 15.999 > 37 40 O 0.00000000000000 0.50929078120370 0.31622968176150 15.999 > 37 41 O 0.33333333333333 0.50929078120370 0.31622968176150 15.999 > 37 42 O 0.66666666666667 0.50929078120370 0.31622968176150 15.999 > 37 43 O 0.00000000000000 0.84262411453703 0.31622968176150 15.999 > 37 44 O 0.33333333333333 0.84262411453703 0.31622968176150 15.999 > 37 45 O 0.66666666666667 0.84262411453703 0.31622968176150 15.999 > 37 46 O 0.00000000000000 0.17595744787037 0.81622968176150 15.999 > 37 47 O 0.33333333333333 0.17595744787037 0.81622968176150 15.999 > 37 48 O 0.66666666666667 0.17595744787037 0.81622968176150 15.999 > 37 49 O 0.00000000000000 0.50929078120370 0.81622968176150 15.999 > 37 50 O 0.33333333333333 0.50929078120370 0.81622968176150 15.999 > 37 51 O 0.66666666666667 0.50929078120370 0.81622968176150 15.999 > 37 52 O 0.00000000000000 0.84262411453703 0.81622968176150 15.999 > 37 53 O 0.33333333333333 0.84262411453703 0.81622968176150 15.999 > 37 54 O 0.66666666666667 0.84262411453703 0.81622968176150 15.999 > 37 55 O 0.16666666666667 0.15737588546297 0.06622968176150 15.999 > 55 56 O 0.50000000000000 0.15737588546297 0.06622968176150 15.999 > 55 57 O 0.83333333333333 0.15737588546297 0.06622968176150 15.999 > 55 58 O 0.16666666666667 0.49070921879630 0.06622968176150 15.999 > 55 59 O 0.50000000000000 0.49070921879630 0.06622968176150 15.999 > 55 60 O 0.83333333333333 0.49070921879630 0.06622968176150 15.999 > 55 61 O 0.16666666666667 0.82404255212963 0.06622968176150 15.999 > 55 62 O 0.50000000000000 0.82404255212963 0.06622968176150 15.999 > 55 63 O 0.83333333333333 0.82404255212963 0.06622968176150 15.999 > 55 64 O 0.16666666666667 0.15737588546297 0.56622968176150 15.999 > 55 65 O 0.50000000000000 0.15737588546297 0.56622968176150 15.999 > 55 66 O 0.83333333333333 0.15737588546297 0.56622968176150 15.999 > 55 67 O 0.16666666666667 0.49070921879630 0.56622968176150 15.999 > 55 68 O 0.50000000000000 0.49070921879630 0.56622968176150 15.999 > 55 69 O 0.83333333333333 0.49070921879630 0.56622968176150 15.999 > 55 70 O 0.16666666666667 0.82404255212963 0.56622968176150 15.999 > 55 71 O 0.50000000000000 0.82404255212963 0.56622968176150 15.999 > 55 72 O 0.83333333333333 0.82404255212963 0.56622968176150 15.999 > 55 73 O 0.00000000000000 0.32571073360707 0.18265850436683 15.999 > 73 74 O 0.33333333333333 0.32571073360707 0.18265850436683 15.999 > 73 75 O 0.66666666666667 0.32571073360707 0.18265850436683 15.999 > 73 76 O 0.00000000000000 0.65904406694040 0.18265850436683 15.999 > 73 77 O 0.33333333333333 0.65904406694040 0.18265850436683 15.999 > 73 78 O 0.66666666666667 0.65904406694040 0.18265850436683 15.999 > 73 79 O 0.00000000000000 0.99237740027374 0.18265850436683 15.999 > 73 80 O 0.33333333333333 0.99237740027374 0.18265850436683 15.999 > 73 81 O 0.66666666666667 0.99237740027374 0.18265850436683 15.999 > 73 82 O 0.00000000000000 0.32571073360707 0.68265850436683 15.999 > 73 83 O 0.33333333333333 0.32571073360707 0.68265850436683 15.999 > 73 84 O 0.66666666666667 0.32571073360707 0.68265850436683 15.999 > 73 85 O 0.00000000000000 0.65904406694040 0.68265850436683 15.999 > 73 86 O 0.33333333333333 0.65904406694040 0.68265850436683 15.999 > 73 87 O 0.66666666666667 0.65904406694040 0.68265850436683 15.999 > 73 88 O 0.00000000000000 0.99237740027374 0.68265850436683 15.999 > 73 89 O 0.33333333333333 0.99237740027374 0.68265850436683 15.999 > 73 90 O 0.66666666666667 0.99237740027374 0.68265850436683 15.999 > 73 91 O 0.16666666666667 0.00762259972626 0.43265850436683 15.999 > 91 92 O 0.50000000000000 0.00762259972626 0.43265850436683 15.999 > 91 93 O 0.83333333333333 0.00762259972626 0.43265850436683 15.999 > 91 94 O 0.16666666666667 0.34095593305960 0.43265850436683 15.999 > 91 95 O 0.50000000000000 0.34095593305960 0.43265850436683 15.999 > 91 96 O 0.83333333333333 0.34095593305960 0.43265850436683 15.999 > 91 97 O 0.16666666666667 0.67428926639293 0.43265850436683 15.999 > 91 98 O 0.50000000000000 0.67428926639293 0.43265850436683 15.999 > 91 99 O 0.83333333333333 0.67428926639293 0.43265850436683 15.999 > 91 100 O 0.16666666666667 0.00762259972626 0.93265850436683 15.999 > 91 101 O 0.50000000000000 0.00762259972626 0.93265850436683 15.999 > 91 102 O 0.83333333333333 0.00762259972626 0.93265850436683 15.999 > 91 103 O 0.16666666666667 0.34095593305960 0.93265850436683 15.999 > 91 104 O 0.50000000000000 0.34095593305960 0.93265850436683 15.999 > 91 105 O 0.83333333333333 0.34095593305960 0.93265850436683 15.999 > 91 106 O 0.16666666666667 0.67428926639293 0.93265850436683 15.999 > 91 107 O 0.50000000000000 0.67428926639293 0.93265850436683 15.999 > 91 108 O 0.83333333333333 0.67428926639293 0.93265850436683 15.999 > 91 109 H 0.00000000000000 0.26100051943787 0.24271185811466 1.008 > 109 110 H 0.33333333333333 0.26100051943787 0.24271185811466 1.008 > 109 111 H 0.66666666666667 0.26100051943787 0.24271185811466 1.008 > 109 112 H 0.00000000000000 0.59433385277120 0.24271185811466 1.008 > 109 113 H 0.33333333333333 0.59433385277120 0.24271185811466 1.008 > 109 114 H 0.66666666666667 0.59433385277120 0.24271185811466 1.008 > 109 115 H 0.00000000000000 0.92766718610454 0.24271185811466 1.008 > 109 116 H 0.33333333333333 0.92766718610454 0.24271185811466 1.008 > 109 117 H 0.66666666666667 0.92766718610454 0.24271185811466 1.008 > 109 118 H 0.00000000000000 0.26100051943787 0.74271185811466 1.008 > 109 119 H 0.33333333333333 0.26100051943787 0.74271185811466 1.008 > 109 120 H 0.66666666666667 0.26100051943787 0.74271185811466 1.008 > 109 121 H 0.00000000000000 0.59433385277120 0.74271185811466 1.008 > 109 122 H 0.33333333333333 0.59433385277120 0.74271185811466 1.008 > 109 123 H 0.66666666666667 0.59433385277120 0.74271185811466 1.008 > 109 124 H 0.00000000000000 0.92766718610454 0.74271185811466 1.008 > 109 125 H 0.33333333333333 0.92766718610454 0.74271185811466 1.008 > 109 126 H 0.66666666666667 0.92766718610454 0.74271185811466 1.008 > 109 127 H 0.16666666666667 0.07233281389546 0.49271185811466 1.008 > 127 128 H 0.50000000000000 0.07233281389546 0.49271185811466 1.008 > 127 129 H 0.83333333333333 0.07233281389546 0.49271185811466 1.008 > 127 130 H 0.16666666666667 0.40566614722880 0.49271185811466 1.008 > 127 131 H 0.50000000000000 0.40566614722880 0.49271185811466 1.008 > 127 132 H 0.83333333333333 0.40566614722880 0.49271185811466 1.008 > 127 133 H 0.16666666666667 0.73899948056213 0.49271185811466 1.008 > 127 134 H 0.50000000000000 0.73899948056213 0.49271185811466 1.008 > 127 135 H 0.83333333333333 0.73899948056213 0.49271185811466 1.008 > 127 136 H 0.16666666666667 0.07233281389546 0.99271185811466 1.008 > 127 137 H 0.50000000000000 0.07233281389546 0.99271185811466 1.008 > 127 138 H 0.83333333333333 0.07233281389546 0.99271185811466 1.008 > 127 139 H 0.16666666666667 0.40566614722880 0.99271185811466 1.008 > 127 140 H 0.50000000000000 0.40566614722880 0.99271185811466 1.008 > 127 141 H 0.83333333333333 0.40566614722880 0.99271185811466 1.008 > 127 142 H 0.16666666666667 0.73899948056213 0.99271185811466 1.008 > 127 143 H 0.50000000000000 0.73899948056213 0.99271185811466 1.008 > 127 144 H 0.83333333333333 0.73899948056213 0.99271185811466 1.008 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2742296 0.0000000 0.0000000 0.0000000 4.4103206 0.0000000 0.0000000 0.0000000 4.3477675 -------------------------- Born effective charges -------------------------- 1 In 3.4356982 0.0000000 0.0000000 0.0000000 3.1241548 0.2263826 0.0000000 0.0144368 3.3535485 2 In 3.4356982 0.0000000 0.0000000 0.0000000 3.1241548 -0.2263826 0.0000000 -0.0144368 3.3535485 3 O -1.9409660 0.0000000 0.0000000 0.0000000 -2.3442498 0.0150776 0.0000000 -0.0501118 -2.1986856 4 O -1.9409660 0.0000000 0.0000000 0.0000000 -2.3442498 -0.0150776 0.0000000 0.0501118 -2.1986856 5 O -1.6625215 0.0000000 0.0000000 0.0000000 -2.4953525 0.1269289 0.0000000 0.0827701 -2.0069151 6 O -1.6625215 0.0000000 0.0000000 0.0000000 -2.4953525 -0.1269289 0.0000000 -0.0827701 -2.0069151 7 H 0.1677892 0.0000000 0.0000000 0.0000000 1.7154475 -1.0590020 0.0000000 -0.9274886 0.8520522 8 H 0.1677892 0.0000000 0.0000000 0.0000000 1.7154475 1.0590020 0.0000000 0.9274886 0.8520522 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yzy) -0.00000000 (yzy) -0.00000000 (yyz) 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 ... [ 15 11 9 ] 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: 0.97, Number of G-points: 301, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/240) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 3.032 ( 0.000 0.000 0.000) 0.000 3.817 ( 0.000 0.000 -0.000) 0.000 4.837 ( 0.000 0.000 -0.000) 0.000 7.696 ( 0.000 0.000 0.000) 0.000 8.028 ( 0.000 0.000 -0.000) 0.000 9.052 ( 0.000 0.000 0.000) 0.000 9.417 ( 0.000 0.000 0.000) 0.000 11.111 ( 0.000 0.000 -0.000) 0.000 11.151 ( 0.000 0.000 0.000) 0.000 12.442 ( 0.000 0.000 0.000) 0.000 13.090 ( 0.000 0.000 0.000) 0.000 13.693 ( 0.000 0.000 -0.000) 0.000 14.193 ( 0.000 0.000 0.000) 0.000 15.602 ( 0.000 0.000 -0.000) 0.000 17.342 ( 0.000 0.000 -0.000) 0.000 36.273 ( 0.000 0.000 0.000) 0.000 36.993 ( 0.000 0.000 -0.000) 0.000 39.332 ( 0.000 0.000 0.000) 0.000 40.901 ( 0.000 0.000 0.000) 0.000 53.046 ( 0.000 0.000 0.000) 0.000 54.514 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/240) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 27.444 0.000 0.000) 27.444 0.575 ( 28.195 0.000 0.000) 28.195 1.258 ( 61.145 0.000 0.000) 61.145 3.287 ( 23.735 0.000 0.000) 23.735 3.804 ( -0.968 0.000 0.000) 0.968 4.815 ( -2.109 0.000 0.000) 2.109 7.655 ( -3.518 0.000 0.000) 3.518 8.040 ( 1.267 0.000 0.000) 1.267 9.571 ( 14.451 0.000 0.000) 14.451 9.854 ( 10.949 0.000 0.000) 10.949 11.131 ( 1.956 0.000 0.000) 1.956 12.495 ( 5.000 0.000 0.000) 5.000 13.065 ( -2.327 0.000 0.000) 2.327 13.686 ( -0.671 0.000 0.000) 0.671 14.183 ( -0.908 0.000 0.000) 0.908 15.165 ( 0.025 0.000 0.000) 0.025 15.555 ( -4.563 0.000 0.000) 4.563 17.303 ( -3.852 0.000 0.000) 3.852 36.316 ( 4.285 0.000 0.000) 4.285 37.308 ( 1.963 0.000 0.000) 1.963 39.346 ( 1.426 0.000 0.000) 1.426 40.878 ( -2.264 0.000 0.000) 2.264 52.992 ( -5.169 0.000 0.000) 5.169 54.421 ( -9.071 0.000 0.000) 9.071 ======================= Grid point 2 (3/240) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 29.143 0.000 0.000) 29.143 1.135 ( 26.999 0.000 0.000) 26.999 2.448 ( 55.109 0.000 0.000) 55.109 3.806 ( 2.399 0.000 0.000) 2.399 3.894 ( 32.992 0.000 0.000) 32.992 4.769 ( -1.180 0.000 0.000) 1.180 7.580 ( -3.333 0.000 0.000) 3.333 8.080 ( 2.598 0.000 0.000) 2.598 9.957 ( 22.499 0.000 0.000) 22.499 10.148 ( 17.026 0.000 0.000) 17.026 11.196 ( 4.731 0.000 0.000) 4.731 12.620 ( 6.050 0.000 0.000) 6.050 13.015 ( -1.468 0.000 0.000) 1.468 13.663 ( -1.746 0.000 0.000) 1.746 14.166 ( -0.474 0.000 0.000) 0.474 15.167 ( 0.135 0.000 0.000) 0.135 15.420 ( -8.638 0.000 0.000) 8.638 17.188 ( -7.423 0.000 0.000) 7.423 36.442 ( 7.922 0.000 0.000) 7.922 37.364 ( 3.443 0.000 0.000) 3.443 39.388 ( 2.717 0.000 0.000) 2.717 40.810 ( -4.408 0.000 0.000) 4.408 52.844 ( -9.161 0.000 0.000) 9.161 54.158 ( -16.516 0.000 0.000) 16.516 ======================= Grid point 3 (4/240) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 25.074 0.000 0.000) 25.074 1.714 ( 29.498 0.000 0.000) 29.498 3.346 ( 26.739 0.000 0.000) 26.739 4.041 ( 27.479 0.000 0.000) 27.479 4.368 ( 6.155 0.000 0.000) 6.155 4.951 ( 25.386 0.000 0.000) 25.386 7.536 ( -0.773 0.000 0.000) 0.773 8.142 ( 3.370 0.000 0.000) 3.370 10.441 ( 24.495 0.000 0.000) 24.495 10.495 ( 16.094 0.000 0.000) 16.094 11.334 ( 9.244 0.000 0.000) 9.244 12.649 ( -4.366 0.000 0.000) 4.366 13.088 ( 9.586 0.000 0.000) 9.586 13.617 ( -2.640 0.000 0.000) 2.640 14.173 ( 1.286 0.000 0.000) 1.286 15.173 ( 0.631 0.000 0.000) 0.631 15.211 ( -11.864 0.000 0.000) 11.864 17.005 ( -10.481 0.000 0.000) 10.481 36.629 ( 10.399 0.000 0.000) 10.399 37.442 ( 4.049 0.000 0.000) 4.049 39.455 ( 3.803 0.000 0.000) 3.803 40.701 ( -6.266 0.000 0.000) 6.266 52.635 ( -11.097 0.000 0.000) 11.097 53.772 ( -21.128 0.000 0.000) 21.128 ======================= Grid point 4 (5/240) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 22.609 0.000 0.000) 22.609 2.294 ( 27.414 0.000 0.000) 27.414 3.599 ( 5.463 0.000 0.000) 5.463 4.304 ( -7.751 0.000 0.000) 7.751 4.833 ( 42.858 0.000 0.000) 42.858 5.591 ( 32.269 0.000 0.000) 32.269 7.556 ( 2.883 0.000 0.000) 2.883 8.207 ( 2.788 0.000 0.000) 2.788 10.772 ( 11.278 0.000 0.000) 11.278 10.922 ( 22.467 0.000 0.000) 22.467 11.568 ( 13.194 0.000 0.000) 13.194 12.488 ( -10.355 0.000 0.000) 10.355 13.348 ( 14.736 0.000 0.000) 14.736 13.568 ( -1.761 0.000 0.000) 1.761 14.215 ( 2.664 0.000 0.000) 2.664 14.947 ( -14.051 0.000 0.000) 14.051 15.199 ( 2.093 0.000 0.000) 2.093 16.768 ( -12.853 0.000 0.000) 12.853 36.853 ( 11.433 0.000 0.000) 11.433 37.521 ( 3.563 0.000 0.000) 3.563 39.541 ( 4.712 0.000 0.000) 4.712 40.560 ( -7.643 0.000 0.000) 7.643 52.412 ( -10.577 0.000 0.000) 10.577 53.325 ( -22.380 0.000 0.000) 22.380 ======================= Grid point 5 (6/240) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( 19.964 0.000 0.000) 19.964 2.807 ( 22.877 0.000 0.000) 22.877 3.676 ( 2.596 0.000 0.000) 2.596 4.114 ( -10.614 0.000 0.000) 10.614 5.640 ( 35.768 0.000 0.000) 35.768 6.170 ( 24.048 0.000 0.000) 24.048 7.654 ( 6.706 0.000 0.000) 6.706 8.243 ( 0.480 0.000 0.000) 0.480 10.972 ( 9.117 0.000 0.000) 9.117 11.336 ( 18.141 0.000 0.000) 18.141 11.829 ( 11.574 0.000 0.000) 11.574 12.253 ( -12.473 0.000 0.000) 12.473 13.561 ( 1.461 0.000 0.000) 1.461 13.652 ( 14.711 0.000 0.000) 14.711 14.268 ( 2.221 0.000 0.000) 2.221 14.650 ( -15.128 0.000 0.000) 15.128 15.268 ( 5.001 0.000 0.000) 5.001 16.491 ( -14.395 0.000 0.000) 14.395 37.082 ( 10.989 0.000 0.000) 10.989 37.579 ( 1.977 0.000 0.000) 1.977 39.645 ( 5.536 0.000 0.000) 5.536 40.396 ( -8.382 0.000 0.000) 8.382 52.223 ( -7.671 0.000 0.000) 7.671 52.887 ( -20.427 0.000 0.000) 20.427 ======================= Grid point 6 (7/240) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( 17.449 0.000 0.000) 17.449 3.208 ( 16.447 0.000 0.000) 16.447 3.703 ( -0.113 0.000 0.000) 0.113 3.883 ( -12.049 0.000 0.000) 12.049 6.253 ( 24.318 0.000 0.000) 24.318 6.549 ( 13.256 0.000 0.000) 13.256 7.815 ( 8.697 0.000 0.000) 8.697 8.219 ( -2.888 0.000 0.000) 2.888 11.163 ( 10.081 0.000 0.000) 10.081 11.638 ( 10.512 0.000 0.000) 10.512 12.005 ( -10.656 0.000 0.000) 10.656 12.006 ( 5.484 0.000 0.000) 5.484 13.637 ( 6.064 0.000 0.000) 6.064 13.927 ( 12.112 0.000 0.000) 12.112 14.292 ( -0.161 0.000 0.000) 0.161 14.342 ( -15.004 0.000 0.000) 15.004 15.408 ( 8.840 0.000 0.000) 8.840 16.192 ( -14.941 0.000 0.000) 14.941 37.289 ( 9.264 0.000 0.000) 9.264 37.595 ( -0.512 0.000 0.000) 0.512 39.765 ( 6.371 0.000 0.000) 6.371 40.225 ( -8.456 0.000 0.000) 8.456 52.114 ( -2.814 0.000 0.000) 2.814 52.515 ( -15.947 0.000 0.000) 15.947 ======================= Grid point 7 (8/240) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.283 ( 14.645 0.000 0.000) 14.645 3.449 ( 4.788 0.000 0.000) 4.788 3.650 ( -8.434 0.000 0.000) 8.434 3.665 ( -3.614 0.000 0.000) 3.614 6.613 ( 11.059 0.000 0.000) 11.059 6.704 ( 1.838 0.000 0.000) 1.838 7.987 ( 7.949 0.000 0.000) 7.949 8.129 ( -5.885 0.000 0.000) 5.885 11.386 ( 11.833 0.000 0.000) 11.833 11.625 ( -10.514 0.000 0.000) 10.514 11.963 ( 5.222 0.000 0.000) 5.222 12.045 ( -1.539 0.000 0.000) 1.539 13.805 ( 10.451 0.000 0.000) 10.451 14.050 ( -13.320 0.000 0.000) 13.320 14.134 ( 7.903 0.000 0.000) 7.903 14.253 ( -3.810 0.000 0.000) 3.810 15.623 ( 12.219 0.000 0.000) 12.219 15.894 ( -14.281 0.000 0.000) 14.281 37.451 ( 6.623 0.000 0.000) 6.623 37.554 ( -3.536 0.000 0.000) 3.536 39.903 ( 7.229 0.000 0.000) 7.229 40.058 ( -7.996 0.000 0.000) 7.996 52.118 ( 3.324 0.000 0.000) 3.324 52.252 ( -9.901 0.000 0.000) 9.901 ======================= Grid point 15 (9/240) ======================= q-point: ( 0.00 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 0.000 29.675 0.000) 29.675 0.790 ( 0.000 38.701 0.000) 38.701 1.120 ( 0.000 55.535 0.000) 55.535 3.024 ( 0.000 -0.807 0.000) 0.807 3.963 ( 0.000 13.486 0.000) 13.486 4.856 ( 0.000 -1.867 0.000) 1.867 8.011 ( 0.000 -1.600 0.000) 1.600 8.994 ( 0.000 -5.161 0.000) 5.161 9.433 ( 0.000 1.045 0.000) 1.045 10.202 ( 0.000 -11.160 0.000) 11.160 11.097 ( 0.000 -1.626 0.000) 1.626 11.180 ( 0.000 2.858 0.000) 2.858 12.425 ( 0.000 -1.700 0.000) 1.700 13.590 ( 0.000 -9.672 0.000) 9.672 14.092 ( 0.000 -9.122 0.000) 9.122 15.228 ( 0.000 10.295 0.000) 10.295 16.043 ( 0.000 5.124 0.000) 5.124 18.364 ( 0.000 -1.530 0.000) 1.530 36.292 ( 0.000 1.887 0.000) 1.887 36.984 ( 0.000 -0.820 0.000) 0.820 40.117 ( 0.000 1.249 0.000) 1.249 40.887 ( 0.000 -1.395 0.000) 1.395 53.228 ( 0.000 18.262 0.000) 18.262 62.938 ( 0.000 -16.745 0.000) 16.745 ======================= Grid point 16 (10/240) ======================= q-point: ( 0.07 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 17.491 26.504 0.000) 31.755 0.977 ( 16.238 30.154 0.000) 34.248 1.606 ( 44.156 32.208 0.000) 54.655 3.274 ( 22.956 -1.658 0.000) 23.016 3.944 ( -1.202 13.297 0.000) 13.351 4.827 ( -2.487 -0.844 0.000) 2.626 8.016 ( 0.458 -1.656 0.000) 1.718 8.565 ( -30.951 36.901 0.000) 48.163 9.554 ( 13.706 -0.746 0.000) 13.726 9.871 ( 0.209 -0.331 0.000) 0.391 11.109 ( 2.175 -1.864 0.000) 2.865 12.002 ( 34.304 -43.169 0.000) 55.138 12.491 ( 6.791 -3.048 0.000) 7.444 13.624 ( 2.141 -8.657 0.000) 8.918 14.157 ( 5.912 -9.893 0.000) 11.525 15.146 ( -7.209 10.371 0.000) 12.630 15.918 ( -10.264 11.453 0.000) 15.379 17.884 ( -29.584 23.150 0.000) 37.565 36.335 ( 4.238 1.841 0.000) 4.621 37.097 ( 8.166 -7.186 0.000) 10.878 39.862 ( -16.032 18.520 0.000) 24.495 40.863 ( -2.295 -1.434 0.000) 2.706 53.166 ( -5.897 17.888 0.000) 18.835 58.650 (-220.893 199.129 0.000) 297.399 ======================= Grid point 17 (11/240) ======================= q-point: ( 0.13 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 22.040 17.167 0.000) 27.937 1.365 ( 21.338 20.141 0.000) 29.342 2.599 ( 49.028 14.272 0.000) 51.063 3.811 ( 20.580 -0.301 0.000) 20.582 3.995 ( 14.157 9.869 0.000) 17.258 4.774 ( -1.734 -0.297 0.000) 1.759 8.000 ( -5.830 11.776 0.000) 13.141 8.126 ( -8.902 22.098 0.000) 23.824 9.931 ( 20.996 -2.629 0.000) 21.160 10.067 ( 16.106 -7.661 0.000) 17.835 11.181 ( 5.076 -1.471 0.000) 5.285 12.380 ( 8.304 -27.938 0.000) 29.146 12.692 ( 11.769 -9.700 0.000) 15.251 13.645 ( 0.065 -3.978 0.000) 3.978 14.289 ( 6.097 -3.699 0.000) 7.131 14.986 ( -7.680 3.339 0.000) 8.374 15.696 ( -11.053 13.520 0.000) 17.463 17.424 ( -17.273 16.984 0.000) 24.225 36.459 ( 7.830 1.701 0.000) 8.012 37.250 ( 6.771 -7.545 0.000) 10.137 39.641 ( -5.935 17.322 0.000) 18.311 40.795 ( -4.408 -1.479 0.000) 4.649 53.001 ( -9.982 16.596 0.000) 19.367 55.791 ( -85.142 126.262 0.000) 152.287 ======================= Grid point 18 (12/240) ======================= q-point: ( 0.20 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 23.186 9.344 0.000) 24.998 1.824 ( 23.935 11.212 0.000) 26.431 3.392 ( 23.269 4.572 0.000) 23.713 4.136 ( 26.211 8.769 0.000) 27.639 4.393 ( 7.706 1.543 0.000) 7.859 4.923 ( 23.221 -2.770 0.000) 23.385 7.817 ( -7.580 23.020 0.000) 24.236 8.113 ( 1.952 -2.015 0.000) 2.805 10.298 ( 15.262 -11.404 0.000) 19.052 10.502 ( 24.878 -1.255 0.000) 24.910 11.318 ( 8.372 -2.089 0.000) 8.628 12.463 ( 0.962 -15.428 0.000) 15.458 12.937 ( 12.354 -10.034 0.000) 15.915 13.645 ( 0.503 1.972 0.000) 2.035 14.383 ( 3.024 8.768 0.000) 9.275 14.854 ( -5.269 -9.344 0.000) 10.728 15.477 ( -10.349 11.597 0.000) 15.543 17.116 ( -14.215 9.134 0.000) 16.897 36.644 ( 10.264 1.474 0.000) 10.369 37.376 ( 5.680 -5.390 0.000) 7.830 39.586 ( -0.272 10.853 0.000) 10.857 40.687 ( -6.244 -1.470 0.000) 6.415 52.777 ( -11.731 14.919 0.000) 18.979 54.542 ( -46.370 67.124 0.000) 81.583 ======================= Grid point 19 (13/240) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 21.113 6.148 0.000) 21.990 2.321 ( 24.461 3.233 0.000) 24.673 3.613 ( 4.456 1.594 0.000) 4.732 4.323 ( -7.215 1.153 0.000) 7.307 4.892 ( 39.475 5.373 0.000) 39.839 5.534 ( 31.199 -5.804 0.000) 31.734 7.720 ( -2.138 14.603 0.000) 14.759 8.152 ( 1.609 -5.240 0.000) 5.482 10.572 ( 12.053 -13.736 0.000) 18.275 11.002 ( 23.703 2.762 0.000) 23.864 11.505 ( 9.390 -6.216 0.000) 11.261 12.439 ( -2.987 -3.769 0.000) 4.810 13.182 ( 11.363 -10.987 0.000) 15.806 13.689 ( 4.316 8.058 0.000) 9.141 14.416 ( 0.501 15.122 0.000) 15.130 14.753 ( -5.665 -13.469 0.000) 14.612 15.301 ( -6.096 7.029 0.000) 9.304 16.828 ( -14.499 5.158 0.000) 15.389 36.865 ( 11.258 1.165 0.000) 11.319 37.479 ( 4.486 -3.669 0.000) 5.795 39.611 ( 2.492 6.252 0.000) 6.731 40.545 ( -7.596 -1.409 0.000) 7.726 52.543 ( -11.000 13.507 0.000) 17.420 53.751 ( -33.461 38.848 0.000) 51.272 ======================= Grid point 20 (14/240) ======================= q-point: ( 0.33 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 19.047 3.944 0.000) 19.451 2.790 ( 21.369 -1.384 0.000) 21.414 3.668 ( 1.438 -0.584 0.000) 1.553 4.139 ( -10.430 1.763 0.000) 10.578 5.636 ( 32.704 -0.557 0.000) 32.709 6.095 ( 23.285 -7.661 0.000) 24.513 7.728 ( 2.845 6.910 0.000) 7.473 8.168 ( -0.246 -7.284 0.000) 7.288 10.800 ( 10.815 -12.206 0.000) 16.308 11.438 ( 18.747 6.038 0.000) 19.696 11.662 ( 5.512 -12.986 0.000) 14.107 12.362 ( -4.058 7.202 0.000) 8.267 13.386 ( 9.003 -9.189 0.000) 12.865 13.828 ( 9.127 10.090 0.000) 13.606 14.410 ( -1.152 12.055 0.000) 12.109 14.591 ( -10.355 -5.193 0.000) 11.585 15.265 ( 2.670 0.341 0.000) 2.692 16.526 ( -15.262 3.122 0.000) 15.578 37.090 ( 10.780 0.784 0.000) 10.809 37.552 ( 2.579 -2.438 0.000) 3.550 39.680 ( 4.206 3.251 0.000) 5.317 40.383 ( -8.298 -1.284 0.000) 8.397 52.348 ( -7.870 12.584 0.000) 14.842 53.154 ( -25.803 24.953 0.000) 35.895 ======================= Grid point 21 (15/240) ======================= q-point: ( 0.40 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.982 ( 16.940 2.592 0.000) 17.137 3.172 ( 16.123 -3.436 0.000) 16.485 3.671 ( -1.358 -2.743 0.000) 3.061 3.911 ( -11.880 1.984 0.000) 12.045 6.189 ( 21.674 -6.020 0.000) 22.494 6.459 ( 12.516 -9.037 0.000) 15.437 7.823 ( 6.074 0.812 0.000) 6.128 8.139 ( -2.592 -7.760 0.000) 8.181 11.022 ( 11.301 -9.959 0.000) 15.063 11.626 ( -2.643 -9.424 0.000) 9.788 11.828 ( 13.121 2.521 0.000) 13.361 12.290 ( -3.174 12.095 0.000) 12.505 13.568 ( 9.464 -4.425 0.000) 10.448 14.029 ( 9.988 8.050 0.000) 12.828 14.312 ( -11.602 0.874 0.000) 11.635 14.409 ( -4.126 7.261 0.000) 8.352 15.391 ( 9.191 -1.295 0.000) 9.281 16.213 ( -15.555 1.872 0.000) 15.667 37.293 ( 9.020 0.335 0.000) 9.026 37.579 ( -0.074 -1.518 0.000) 1.520 39.779 ( 5.557 1.307 0.000) 5.709 40.214 ( -8.306 -1.056 0.000) 8.373 52.238 ( -2.710 12.256 0.000) 12.552 52.704 ( -18.652 17.893 0.000) 25.847 ======================= Grid point 22 (16/240) ======================= q-point: ( 0.47 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.300 ( 14.073 1.580 0.000) 14.161 3.425 ( 7.243 -2.485 0.000) 7.658 3.604 ( -4.640 -3.584 0.000) 5.864 3.677 ( -9.900 0.340 0.000) 9.905 6.510 ( 10.057 -9.613 0.000) 13.912 6.599 ( 1.279 -10.161 0.000) 10.241 7.953 ( 6.270 -3.389 0.000) 7.127 8.065 ( -4.681 -6.255 0.000) 7.813 11.257 ( 11.709 -9.067 0.000) 14.810 11.482 ( -9.976 -10.328 0.000) 14.359 12.065 ( 9.557 8.128 0.000) 12.546 12.212 ( -5.137 10.542 0.000) 11.727 13.783 ( 11.837 -1.075 0.000) 11.886 14.042 ( -13.554 0.246 0.000) 13.556 14.211 ( 7.603 6.754 0.000) 10.169 14.333 ( -4.560 6.774 0.000) 8.166 15.618 ( 12.924 -0.347 0.000) 12.929 15.903 ( -14.898 0.808 0.000) 14.920 37.449 ( 6.337 -0.183 0.000) 6.340 37.546 ( -3.192 -0.789 0.000) 3.288 39.904 ( 6.746 0.085 0.000) 6.746 40.051 ( -7.723 -0.643 0.000) 7.749 52.248 ( 3.890 12.714 0.000) 13.296 52.401 ( -11.232 14.338 0.000) 18.213 ======================= Grid point 30 (17/240) ======================= q-point: ( 0.00 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 0.000 27.419 0.000) 27.419 1.532 ( 0.000 35.381 0.000) 35.381 2.199 ( 0.000 51.826 0.000) 51.826 2.998 ( 0.000 -1.824 0.000) 1.824 4.268 ( 0.000 13.646 0.000) 13.646 4.833 ( 0.000 1.502 0.000) 1.502 7.968 ( 0.000 -2.556 0.000) 2.556 8.875 ( 0.000 -6.215 0.000) 6.215 9.440 ( 0.000 -0.627 0.000) 0.627 9.905 ( 0.000 -17.714 0.000) 17.714 11.042 ( 0.000 -3.812 0.000) 3.812 11.259 ( 0.000 4.823 0.000) 4.823 12.377 ( 0.000 -2.994 0.000) 2.994 13.345 ( 0.000 -13.765 0.000) 13.765 13.871 ( 0.000 -12.304 0.000) 12.304 15.475 ( 0.000 13.424 0.000) 13.424 16.159 ( 0.000 5.686 0.000) 5.686 18.330 ( 0.000 -1.664 0.000) 1.664 36.345 ( 0.000 3.375 0.000) 3.375 36.960 ( 0.000 -1.587 0.000) 1.587 40.153 ( 0.000 2.276 0.000) 2.276 40.847 ( 0.000 -2.491 0.000) 2.491 53.777 ( 0.000 36.703 0.000) 36.703 62.432 ( 0.000 -33.989 0.000) 33.989 ======================= Grid point 31 (18/240) ======================= q-point: ( 0.07 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 17.753 25.643 0.000) 31.189 1.612 ( 8.132 32.134 0.000) 33.147 2.384 ( 19.692 42.067 0.000) 46.448 3.233 ( 21.720 -2.307 0.000) 21.842 4.246 ( -1.799 13.716 0.000) 13.834 4.810 ( -2.151 1.011 0.000) 2.376 7.965 ( -0.190 -3.226 0.000) 3.231 8.880 ( -3.246 2.286 0.000) 3.970 9.550 ( 11.246 -0.537 0.000) 11.258 9.768 ( -5.607 -10.128 0.000) 11.576 11.060 ( 2.097 -3.469 0.000) 4.054 11.524 ( 19.991 -9.414 0.000) 22.096 12.427 ( 4.829 -3.590 0.000) 6.017 13.400 ( 5.044 -12.567 0.000) 13.541 13.904 ( 3.310 -13.906 0.000) 14.295 15.416 ( -5.679 14.629 0.000) 15.693 16.091 ( -6.501 6.902 0.000) 9.482 18.114 ( -18.674 4.625 0.000) 19.239 36.387 ( 4.108 3.292 0.000) 5.264 37.011 ( 4.700 -2.884 0.000) 5.514 40.070 ( -7.111 6.055 0.000) 9.340 40.823 ( -2.368 -2.526 0.000) 3.463 53.703 ( -7.040 35.870 0.000) 36.554 60.699 (-139.600 33.638 0.000) 143.595 ======================= Grid point 32 (19/240) ======================= q-point: ( 0.13 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 13.600 24.555 0.000) 28.069 1.846 ( 13.525 26.348 0.000) 29.617 2.967 ( 33.650 21.155 0.000) 39.747 3.785 ( 29.971 -2.186 0.000) 30.050 4.237 ( 2.872 12.208 0.000) 12.542 4.759 ( -2.085 -0.124 0.000) 2.089 7.962 ( -0.141 -4.998 0.000) 5.000 8.667 ( -15.363 18.565 0.000) 24.097 9.804 ( 10.319 -11.367 0.000) 15.352 9.930 ( 22.361 -3.429 0.000) 22.622 11.126 ( 4.298 -4.604 0.000) 6.299 11.908 ( 16.671 -15.146 0.000) 22.524 12.566 ( 8.721 -5.103 0.000) 10.105 13.526 ( 6.861 -7.284 0.000) 10.007 14.007 ( 6.785 -18.127 0.000) 19.355 15.258 ( -9.426 17.183 0.000) 19.599 15.913 ( -10.568 8.735 0.000) 13.711 17.693 ( -20.923 9.366 0.000) 22.924 36.507 ( 7.573 3.046 0.000) 8.162 37.131 ( 6.703 -4.493 0.000) 8.070 39.916 ( -7.112 10.087 0.000) 12.342 40.753 ( -4.460 -2.623 0.000) 5.174 53.505 ( -12.160 33.509 0.000) 35.647 57.941 (-119.525 76.265 0.000) 141.783 ======================= Grid point 33 (20/240) ======================= q-point: ( 0.20 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 15.892 16.671 0.000) 23.032 2.137 ( 15.253 19.221 0.000) 24.537 3.518 ( 16.178 7.511 0.000) 17.837 4.304 ( 17.148 2.993 0.000) 17.407 4.441 ( 16.739 6.774 0.000) 18.058 4.845 ( 16.734 -4.827 0.000) 17.416 7.955 ( -0.762 -6.931 0.000) 6.973 8.357 ( -14.043 20.397 0.000) 24.763 10.050 ( 13.278 -12.050 0.000) 17.930 10.449 ( 27.213 -3.572 0.000) 27.447 11.227 ( 5.468 -7.223 0.000) 9.060 12.191 ( 11.439 -9.690 0.000) 14.992 12.770 ( 11.178 -6.238 0.000) 12.800 13.669 ( 7.252 0.041 0.000) 7.252 14.167 ( 8.640 -20.484 0.000) 22.232 15.055 ( -10.095 18.871 0.000) 21.402 15.681 ( -11.885 9.146 0.000) 14.997 17.295 ( -18.441 7.850 0.000) 20.043 36.686 ( 9.888 2.644 0.000) 10.236 37.270 ( 6.763 -4.747 0.000) 8.262 39.802 ( -4.007 9.753 0.000) 10.544 40.645 ( -6.225 -2.678 0.000) 6.776 53.232 ( -14.265 30.136 0.000) 33.342 55.963 ( -78.219 65.168 0.000) 101.809 ======================= Grid point 34 (21/240) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 17.341 8.935 0.000) 19.508 2.458 ( 16.278 10.892 0.000) 19.586 3.663 ( 1.648 3.091 0.000) 3.503 4.327 ( -6.470 -0.966 0.000) 6.542 5.011 ( 32.150 5.703 0.000) 32.652 5.361 ( 27.934 -11.380 0.000) 30.163 7.924 ( -2.476 -5.336 0.000) 5.883 8.124 ( -8.638 11.496 0.000) 14.380 10.324 ( 13.660 -9.801 0.000) 16.812 10.994 ( 25.931 -3.348 0.000) 26.146 11.336 ( 4.948 -9.942 0.000) 11.105 12.375 ( 6.799 -2.481 0.000) 7.237 13.009 ( 12.240 -5.429 0.000) 13.390 13.824 ( 8.134 4.537 0.000) 9.313 14.337 ( 7.508 -16.988 0.000) 18.573 14.866 ( -8.391 18.440 0.000) 20.260 15.451 ( -10.230 7.984 0.000) 12.976 16.937 ( -17.138 5.235 0.000) 17.920 36.898 ( 10.775 2.097 0.000) 10.977 37.397 ( 5.676 -4.124 0.000) 7.017 39.753 ( -0.968 7.209 0.000) 7.274 40.505 ( -7.486 -2.624 0.000) 7.933 52.948 ( -13.201 26.588 0.000) 29.685 54.663 ( -52.461 46.991 0.000) 70.430 ======================= Grid point 35 (22/240) ======================= q-point: ( 0.33 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( 17.119 4.437 0.000) 17.685 2.785 ( 15.738 2.797 0.000) 15.985 3.658 ( -1.550 -0.463 0.000) 1.617 4.155 ( -9.984 -0.665 0.000) 10.006 5.609 ( 25.661 -2.467 0.000) 25.779 5.868 ( 21.209 -14.607 0.000) 25.752 7.864 ( -2.641 0.555 0.000) 2.699 8.003 ( -3.903 -3.246 0.000) 5.076 10.600 ( 13.552 -6.627 0.000) 15.086 11.394 ( 4.093 -12.940 0.000) 13.572 11.502 ( 20.309 -0.182 0.000) 20.309 12.463 ( 1.782 2.267 0.000) 2.884 13.261 ( 12.665 -2.750 0.000) 12.960 13.996 ( 8.697 5.317 0.000) 10.194 14.440 ( 1.797 -6.401 0.000) 6.648 14.713 ( -7.123 14.938 0.000) 16.549 15.310 ( -2.359 4.467 0.000) 5.052 16.594 ( -16.859 3.295 0.000) 17.178 37.113 ( 10.203 1.421 0.000) 10.301 37.493 ( 3.654 -3.185 0.000) 4.848 39.759 ( 1.531 4.342 0.000) 4.604 40.346 ( -8.061 -2.414 0.000) 8.414 52.716 ( -9.335 23.644 0.000) 25.420 53.775 ( -36.275 34.134 0.000) 49.810 ======================= Grid point 36 (23/240) ======================= q-point: ( 0.40 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.051 ( 15.818 3.589 0.000) 16.220 3.085 ( 13.752 -4.268 0.000) 14.399 3.605 ( -3.718 -3.754 0.000) 5.284 3.931 ( -11.975 -0.501 0.000) 11.985 6.031 ( 16.005 -9.493 0.000) 18.609 6.199 ( 11.254 -16.356 0.000) 19.854 7.839 ( 0.192 -0.852 0.000) 0.874 7.942 ( -2.392 -9.279 0.000) 9.582 10.870 ( 12.991 -4.323 0.000) 13.691 11.403 ( -2.228 -10.350 0.000) 10.587 11.893 ( 16.901 0.663 0.000) 16.914 12.451 ( -2.784 3.625 0.000) 4.570 13.524 ( 13.369 0.747 0.000) 13.389 14.157 ( 5.858 2.472 0.000) 6.358 14.390 ( -5.951 8.682 0.000) 10.526 14.579 ( -5.450 8.806 0.000) 10.356 15.379 ( 8.519 0.543 0.000) 8.536 16.254 ( -16.726 1.949 0.000) 16.839 37.302 ( 8.357 0.636 0.000) 8.382 37.540 ( 0.871 -2.176 0.000) 2.344 39.812 ( 3.656 1.890 0.000) 4.116 40.184 ( -7.865 -1.975 0.000) 8.109 52.586 ( -3.188 21.810 0.000) 22.042 53.167 ( -24.163 26.618 0.000) 35.950 ======================= Grid point 37 (24/240) ======================= q-point: ( 0.47 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.317 ( 10.075 -2.945 0.000) 10.497 3.364 ( 12.771 -0.736 0.000) 12.792 3.510 ( -4.698 -5.944 0.000) 7.576 3.674 ( -13.312 -0.864 0.000) 13.341 6.264 ( 7.211 -14.254 0.000) 15.974 6.324 ( 1.360 -16.448 0.000) 16.504 7.862 ( 1.751 -5.418 0.000) 5.694 7.900 ( -1.922 -8.939 0.000) 9.143 11.117 ( 11.091 -4.233 0.000) 11.871 11.306 ( -7.262 -6.676 0.000) 9.864 12.177 ( 11.236 1.772 0.000) 11.375 12.356 ( -6.615 2.894 0.000) 7.220 13.804 ( 14.177 3.646 0.000) 14.638 14.082 ( -12.204 3.481 0.000) 12.691 14.379 ( 5.034 10.095 0.000) 11.281 14.483 ( -4.706 7.608 0.000) 8.945 15.614 ( 13.921 -0.006 0.000) 13.921 15.921 ( -16.023 0.854 0.000) 16.046 37.445 ( 5.591 -0.238 0.000) 5.596 37.526 ( -2.355 -1.183 0.000) 2.636 39.906 ( 5.493 0.052 0.000) 5.493 40.032 ( -6.955 -1.198 0.000) 7.058 52.599 ( 4.691 21.406 0.000) 21.914 52.784 ( -13.846 22.786 0.000) 26.663 ======================= Grid point 45 (25/240) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 0.000 23.664 0.000) 23.664 2.197 ( 0.000 31.136 0.000) 31.136 2.948 ( 0.000 -3.290 0.000) 3.290 3.153 ( 0.000 42.340 0.000) 42.340 4.370 ( 0.000 -2.779 0.000) 2.779 5.001 ( 0.000 13.991 0.000) 13.991 7.919 ( 0.000 -2.044 0.000) 2.044 8.762 ( 0.000 -4.789 0.000) 4.789 9.407 ( 0.000 -2.521 0.000) 2.521 9.524 ( 0.000 -19.811 0.000) 19.811 10.955 ( 0.000 -4.468 0.000) 4.468 11.363 ( 0.000 5.334 0.000) 5.334 12.310 ( 0.000 -3.527 0.000) 3.527 13.078 ( 0.000 -12.311 0.000) 12.311 13.621 ( 0.000 -12.312 0.000) 12.312 15.737 ( 0.000 12.310 0.000) 12.310 16.248 ( 0.000 2.966 0.000) 2.966 18.307 ( 0.000 -0.445 0.000) 0.445 36.422 ( 0.000 4.132 0.000) 4.132 36.922 ( 0.000 -2.199 0.000) 2.199 40.205 ( 0.000 2.843 0.000) 2.843 40.791 ( 0.000 -3.037 0.000) 3.037 54.686 ( 0.000 53.935 0.000) 53.935 61.584 ( 0.000 -50.757 0.000) 50.757 ======================= Grid point 46 (26/240) ======================= q-point: ( 0.07 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 18.233 22.694 0.000) 29.111 2.231 ( 3.686 29.549 0.000) 29.778 3.119 ( 12.400 11.902 0.000) 17.188 3.247 ( 13.456 21.222 0.000) 25.129 4.361 ( -0.625 -1.938 0.000) 2.036 4.954 ( -4.349 12.744 0.000) 13.466 7.897 ( -2.001 -3.292 0.000) 3.852 8.844 ( 5.620 -3.791 0.000) 6.779 9.453 ( 0.931 -13.174 0.000) 13.207 9.564 ( 9.350 -4.989 0.000) 10.598 10.968 ( 1.190 -5.101 0.000) 5.238 11.479 ( 10.790 2.122 0.000) 10.997 12.355 ( 4.438 -3.295 0.000) 5.528 13.156 ( 7.535 -11.342 0.000) 13.617 13.629 ( 0.913 -13.153 0.000) 13.185 15.694 ( -4.108 12.827 0.000) 13.469 16.197 ( -5.030 3.586 0.000) 6.178 18.166 ( -13.117 1.699 0.000) 13.227 36.462 ( 3.930 4.039 0.000) 5.635 36.959 ( 3.535 -2.550 0.000) 4.359 40.165 ( -3.676 3.985 0.000) 5.422 40.766 ( -2.460 -3.094 0.000) 3.953 54.588 ( -9.396 52.270 0.000) 53.108 60.698 ( -79.533 -24.957 0.000) 83.357 ======================= Grid point 47 (27/240) ======================= q-point: ( 0.13 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 10.326 24.520 0.000) 26.606 2.374 ( 10.339 25.946 0.000) 27.930 3.382 ( 15.707 18.678 0.000) 24.404 3.727 ( 29.130 -3.482 0.000) 29.337 4.372 ( 2.952 0.103 0.000) 2.953 4.844 ( -5.753 9.356 0.000) 10.984 7.846 ( -2.883 -6.127 0.000) 6.771 8.846 ( -6.873 0.996 0.000) 6.945 9.559 ( 11.404 -11.791 0.000) 16.404 9.888 ( 21.083 -1.558 0.000) 21.141 11.003 ( 2.245 -6.691 0.000) 7.057 11.758 ( 15.620 -2.162 0.000) 15.769 12.489 ( 8.718 -2.242 0.000) 9.002 13.369 ( 13.000 -8.247 0.000) 15.395 13.664 ( 2.717 -15.484 0.000) 15.721 15.576 ( -7.408 14.071 0.000) 15.902 16.052 ( -9.048 5.133 0.000) 10.403 17.826 ( -19.280 4.730 0.000) 19.852 36.576 ( 7.218 3.758 0.000) 8.138 37.057 ( 5.924 -3.189 0.000) 6.727 40.070 ( -5.301 5.959 0.000) 7.976 40.694 ( -4.595 -3.252 0.000) 5.629 54.322 ( -16.296 47.748 0.000) 50.452 58.793 ( -99.168 12.943 0.000) 100.009 ======================= Grid point 48 (28/240) ======================= q-point: ( 0.20 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 8.528 20.208 0.000) 21.934 2.565 ( 8.204 23.238 0.000) 24.643 3.660 ( 8.416 5.636 0.000) 10.129 4.256 ( 16.149 -4.561 0.000) 16.781 4.569 ( 19.308 -1.547 0.000) 19.370 4.795 ( 5.016 4.073 0.000) 6.462 7.784 ( -3.174 -9.025 0.000) 9.567 8.626 ( -13.127 5.846 0.000) 14.370 9.858 ( 16.677 -6.689 0.000) 17.969 10.373 ( 25.726 -3.805 0.000) 26.006 11.058 ( 3.299 -8.392 0.000) 9.017 12.072 ( 14.563 -3.540 0.000) 14.988 12.704 ( 12.350 -0.174 0.000) 12.351 13.642 ( 11.845 -2.666 0.000) 12.141 13.767 ( 9.283 -18.431 0.000) 20.637 15.404 ( -9.254 15.170 0.000) 17.769 15.843 ( -11.229 6.860 0.000) 13.159 17.423 ( -19.937 5.208 0.000) 20.606 36.746 ( 9.364 3.290 0.000) 9.925 37.188 ( 6.785 -3.520 0.000) 7.643 39.965 ( -4.792 6.711 0.000) 8.246 40.583 ( -6.279 -3.412 0.000) 7.147 53.956 ( -19.182 41.562 0.000) 45.775 56.921 ( -83.161 29.019 0.000) 88.079 ======================= Grid point 49 (29/240) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 9.669 13.388 0.000) 16.515 2.730 ( 8.584 15.787 0.000) 17.970 3.713 ( -1.589 1.102 0.000) 1.934 4.289 ( -6.885 -2.578 0.000) 7.352 5.077 ( 26.105 -7.756 0.000) 27.233 5.113 ( 21.625 -4.391 0.000) 22.067 7.723 ( -2.746 -10.845 0.000) 11.188 8.355 ( -13.034 7.817 0.000) 15.198 10.205 ( 17.301 -2.088 0.000) 17.427 10.887 ( 23.619 -6.591 0.000) 24.521 11.143 ( 5.858 -8.707 0.000) 10.494 12.321 ( 9.629 -3.373 0.000) 10.203 12.978 ( 14.373 2.063 0.000) 14.520 13.822 ( 8.101 -6.499 0.000) 10.385 14.051 ( 16.074 -8.774 0.000) 18.313 15.211 ( -9.732 15.188 0.000) 18.038 15.614 ( -10.894 7.975 0.000) 13.501 17.028 ( -19.054 3.889 0.000) 19.447 36.946 ( 10.094 2.639 0.000) 10.434 37.322 ( 6.222 -3.375 0.000) 7.079 39.884 ( -3.076 5.853 0.000) 6.612 40.443 ( -7.373 -3.430 0.000) 8.132 53.574 ( -17.834 35.119 0.000) 39.388 55.458 ( -61.536 30.044 0.000) 68.478 ======================= Grid point 50 (30/240) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( 10.226 4.965 0.000) 11.367 2.921 ( 10.248 8.880 0.000) 13.560 3.641 ( -4.944 -1.523 0.000) 5.173 4.104 ( -10.499 -4.458 0.000) 11.406 5.528 ( 18.036 -7.377 0.000) 19.487 5.545 ( 19.270 -14.857 0.000) 24.332 7.680 ( -1.245 -11.017 0.000) 11.087 8.114 ( -10.609 6.755 0.000) 12.577 10.548 ( 16.272 1.180 0.000) 16.315 11.166 ( 5.114 -9.649 0.000) 10.920 11.433 ( 20.881 -6.370 0.000) 21.831 12.449 ( 2.918 -3.214 0.000) 4.341 13.279 ( 15.356 4.082 0.000) 15.890 13.996 ( 8.766 -4.775 0.000) 9.982 14.360 ( 13.573 -1.711 0.000) 13.680 15.009 ( -10.434 14.322 0.000) 17.719 15.432 ( -5.947 7.085 0.000) 9.249 16.650 ( -18.348 2.280 0.000) 18.489 37.145 ( 9.387 1.823 0.000) 9.562 37.432 ( 4.463 -2.855 0.000) 5.298 39.844 ( -0.847 4.031 0.000) 4.120 40.289 ( -7.701 -3.183 0.000) 8.333 53.258 ( -12.898 29.567 0.000) 32.258 54.406 ( -43.072 26.896 0.000) 50.780 ======================= Grid point 51 (31/240) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( 10.109 -3.058 0.000) 10.562 3.143 ( 11.562 4.238 0.000) 12.315 3.523 ( -6.688 -4.439 0.000) 8.027 3.878 ( -11.694 -4.948 0.000) 12.698 5.820 ( 10.705 -12.122 0.000) 16.172 5.847 ( 10.556 -16.926 0.000) 19.948 7.677 ( 1.018 -9.471 0.000) 9.526 7.930 ( -7.554 3.289 0.000) 8.239 10.853 ( 13.560 2.207 0.000) 13.739 11.229 ( 1.371 -7.178 0.000) 7.307 11.828 ( 17.371 -6.783 0.000) 18.648 12.444 ( -3.220 -3.536 0.000) 4.783 13.598 ( 16.006 6.070 0.000) 17.118 14.150 ( 5.441 -1.909 0.000) 5.766 14.564 ( 5.995 5.450 0.000) 8.102 14.788 ( -10.726 13.621 0.000) 17.337 15.417 ( 4.986 2.899 0.000) 5.767 16.284 ( -17.830 0.974 0.000) 17.857 37.318 ( 7.440 0.876 0.000) 7.491 37.497 ( 1.803 -2.085 0.000) 2.757 39.851 ( 1.544 1.939 0.000) 2.479 40.137 ( -7.163 -2.569 0.000) 7.610 53.070 ( -5.259 25.579 0.000) 26.114 53.691 ( -28.042 24.153 0.000) 37.009 ======================= Grid point 52 (32/240) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.194 ( 9.352 -7.201 0.000) 11.803 3.369 ( -4.733 -7.883 0.000) 9.195 3.388 ( 8.836 1.182 0.000) 8.915 3.634 ( -12.256 -3.153 0.000) 12.656 5.966 ( 3.886 -15.191 0.000) 15.680 5.979 ( 2.721 -17.088 0.000) 17.303 7.720 ( 3.155 -6.208 0.000) 6.963 7.803 ( -5.072 -1.548 0.000) 5.303 11.085 ( 9.043 0.464 0.000) 9.055 11.211 ( -3.433 -3.285 0.000) 4.752 12.128 ( 12.256 -6.069 0.000) 13.677 12.330 ( -7.833 -4.609 0.000) 9.089 13.916 ( 14.863 6.691 0.000) 16.300 14.153 ( -6.606 2.867 0.000) 7.202 14.613 ( -0.057 11.131 0.000) 11.131 14.632 ( -3.333 9.341 0.000) 9.918 15.617 ( 13.655 0.106 0.000) 13.656 15.931 ( -16.816 0.086 0.000) 16.816 37.441 ( 4.616 -0.142 0.000) 4.618 37.502 ( -1.374 -1.156 0.000) 1.795 39.906 ( 3.852 0.019 0.000) 3.852 40.005 ( -5.814 -1.509 0.000) 6.007 53.058 ( 4.308 23.379 0.000) 23.772 53.255 ( -15.368 22.929 0.000) 27.603 ======================= Grid point 60 (33/240) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 0.000 18.561 0.000) 18.561 2.772 ( 0.000 26.470 0.000) 26.470 2.863 ( 0.000 -5.346 0.000) 5.346 3.758 ( 0.000 11.551 0.000) 11.551 4.346 ( 0.000 7.591 0.000) 7.591 5.264 ( 0.000 10.374 0.000) 10.374 7.895 ( 0.000 -0.269 0.000) 0.269 8.689 ( 0.000 -2.533 0.000) 2.533 9.145 ( 0.000 -17.159 0.000) 17.159 9.349 ( 0.000 -2.950 0.000) 2.950 10.878 ( 0.000 -3.061 0.000) 3.061 11.461 ( 0.000 4.248 0.000) 4.248 12.243 ( 0.000 -2.996 0.000) 2.996 12.873 ( 0.000 -7.956 0.000) 7.956 13.399 ( 0.000 -9.423 0.000) 9.423 15.955 ( 0.000 9.397 0.000) 9.397 16.273 ( 0.000 -0.436 0.000) 0.436 18.311 ( 0.000 0.640 0.000) 0.640 36.503 ( 0.000 3.840 0.000) 3.840 36.875 ( 0.000 -2.373 0.000) 2.373 40.261 ( 0.000 2.623 0.000) 2.623 40.732 ( 0.000 -2.745 0.000) 2.745 55.900 ( 0.000 66.478 0.000) 66.478 60.429 ( 0.000 -63.895 0.000) 63.895 ======================= Grid point 61 (34/240) ======================= q-point: ( 0.07 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 18.199 18.005 0.000) 25.601 2.783 ( 1.321 25.525 0.000) 25.560 3.076 ( 19.863 -4.955 0.000) 20.472 3.730 ( -2.434 10.430 0.000) 10.710 4.334 ( -0.880 5.104 0.000) 5.180 5.203 ( -5.755 10.183 0.000) 11.697 7.845 ( -4.441 -1.687 0.000) 4.750 8.765 ( 5.029 -3.977 0.000) 6.412 9.152 ( 3.164 -14.044 0.000) 14.396 9.503 ( 13.837 -2.328 0.000) 14.031 10.881 ( 0.338 -3.314 0.000) 3.332 11.538 ( 7.445 2.955 0.000) 8.010 12.303 ( 5.928 -1.820 0.000) 6.201 12.963 ( 8.689 -7.700 0.000) 11.610 13.396 ( -0.128 -9.778 0.000) 9.779 15.918 ( -3.594 9.467 0.000) 10.126 16.232 ( -3.972 0.061 0.000) 3.972 18.198 ( -10.765 1.513 0.000) 10.871 36.542 ( 3.761 3.769 0.000) 5.324 36.908 ( 3.184 -2.473 0.000) 4.031 40.236 ( -2.418 3.048 0.000) 3.891 40.705 ( -2.599 -2.827 0.000) 3.840 55.758 ( -13.661 63.633 0.000) 65.083 59.904 ( -49.017 -51.359 0.000) 70.996 ======================= Grid point 62 (35/240) ======================= q-point: ( 0.13 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( 11.876 20.480 0.000) 23.675 2.865 ( 9.124 22.904 0.000) 24.655 3.592 ( 27.908 -1.825 0.000) 27.968 3.689 ( 0.507 1.662 0.000) 1.738 4.330 ( 1.128 -1.243 0.000) 1.678 5.054 ( -8.042 9.656 0.000) 12.566 7.739 ( -5.660 -4.216 0.000) 7.058 8.770 ( -4.806 -7.116 0.000) 8.587 9.367 ( 17.381 -6.959 0.000) 18.722 9.862 ( 20.671 -1.028 0.000) 20.696 10.894 ( 1.042 -3.892 0.000) 4.029 11.746 ( 12.479 0.031 0.000) 12.479 12.480 ( 11.406 1.117 0.000) 11.461 13.207 ( 14.687 -7.552 0.000) 16.515 13.407 ( 1.801 -10.013 0.000) 10.173 15.812 ( -6.757 9.551 0.000) 11.700 16.117 ( -7.200 1.538 0.000) 7.362 17.902 ( -17.716 3.040 0.000) 17.975 36.651 ( 6.875 3.548 0.000) 7.737 36.999 ( 5.588 -2.669 0.000) 6.193 40.168 ( -4.118 3.944 0.000) 5.702 40.629 ( -4.829 -3.060 0.000) 5.717 55.373 ( -23.494 56.104 0.000) 60.825 58.624 ( -72.508 -26.097 0.000) 77.061 ======================= Grid point 63 (36/240) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 3.871 19.435 0.000) 19.817 3.048 ( 4.871 24.565 0.000) 25.043 3.689 ( 0.979 -3.870 0.000) 3.992 4.190 ( 23.763 -1.176 0.000) 23.792 4.388 ( 6.177 -13.241 0.000) 14.611 4.948 ( 0.374 7.640 0.000) 7.650 7.629 ( -4.947 -5.906 0.000) 7.704 8.618 ( -9.319 -5.029 0.000) 10.589 9.779 ( 22.036 -1.653 0.000) 22.098 10.308 ( 22.833 -2.449 0.000) 22.964 10.926 ( 2.288 -4.607 0.000) 5.144 12.013 ( 13.051 -2.556 0.000) 13.299 12.752 ( 14.938 4.259 0.000) 15.533 13.444 ( 6.639 -13.077 0.000) 14.666 13.581 ( 17.422 -3.670 0.000) 17.805 15.651 ( -8.966 9.488 0.000) 13.054 15.949 ( -9.223 3.711 0.000) 9.942 17.510 ( -20.334 3.571 0.000) 20.645 36.813 ( 8.839 3.165 0.000) 9.388 37.126 ( 6.739 -2.764 0.000) 7.284 40.077 ( -4.683 4.549 0.000) 6.528 40.513 ( -6.456 -3.346 0.000) 7.272 54.847 ( -27.408 46.235 0.000) 53.748 57.137 ( -71.274 -5.574 0.000) 71.491 ======================= Grid point 64 (37/240) ======================= q-point: ( 0.27 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 3.724 15.314 0.000) 15.760 3.081 ( 0.171 19.125 0.000) 19.125 3.676 ( -2.624 -5.040 0.000) 5.682 4.213 ( -9.989 -6.500 0.000) 11.918 4.813 ( 24.508 -10.918 0.000) 26.830 5.117 ( 13.954 -0.850 0.000) 13.980 7.547 ( -2.977 -6.132 0.000) 6.816 8.413 ( -10.542 -1.297 0.000) 10.622 10.226 ( 21.500 3.494 0.000) 21.782 10.759 ( 20.489 -5.826 0.000) 21.301 10.998 ( 5.671 -5.752 0.000) 8.077 12.243 ( 8.993 -4.079 0.000) 9.874 13.067 ( 15.975 6.200 0.000) 17.136 13.617 ( 10.940 -11.002 0.000) 15.516 13.962 ( 19.191 -2.593 0.000) 19.366 15.459 ( -9.687 9.582 0.000) 13.625 15.753 ( -9.913 5.621 0.000) 11.395 17.095 ( -20.477 2.795 0.000) 20.667 37.000 ( 9.387 2.601 0.000) 9.741 37.262 ( 6.510 -2.634 0.000) 7.023 39.986 ( -4.076 4.357 0.000) 5.966 40.373 ( -7.317 -3.486 0.000) 8.105 54.303 ( -25.434 36.398 0.000) 44.404 55.815 ( -58.328 5.821 0.000) 58.618 ======================= Grid point 65 (38/240) ======================= q-point: ( 0.33 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( 1.882 9.786 0.000) 9.965 3.112 ( 3.580 9.996 0.000) 10.618 3.586 ( -6.138 -4.095 0.000) 7.379 3.973 ( -12.437 -8.903 0.000) 15.296 5.243 ( 17.621 -11.501 0.000) 21.042 5.404 ( 12.778 -7.215 0.000) 14.674 7.516 ( 0.106 -4.899 0.000) 4.901 8.201 ( -10.326 1.794 0.000) 10.481 10.630 ( 17.955 6.577 0.000) 19.122 11.014 ( 5.894 -5.588 0.000) 8.122 11.267 ( 19.291 -9.710 0.000) 21.597 12.362 ( 2.625 -4.785 0.000) 5.458 13.398 ( 16.713 7.207 0.000) 18.200 13.866 ( 12.823 -7.198 0.000) 14.706 14.333 ( 16.771 -1.433 0.000) 16.832 15.268 ( -9.076 11.110 0.000) 14.346 15.563 ( -8.215 5.408 0.000) 9.835 16.686 ( -19.859 1.359 0.000) 19.905 37.183 ( 8.520 1.857 0.000) 8.720 37.381 ( 5.023 -2.256 0.000) 5.507 39.918 ( -2.510 3.354 0.000) 4.189 40.223 ( -7.270 -3.278 0.000) 7.975 53.848 ( -18.865 28.172 0.000) 33.905 54.792 ( -42.728 11.207 0.000) 44.173 ======================= Grid point 66 (39/240) ======================= q-point: ( 0.40 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( 2.691 1.497 0.000) 3.079 3.213 ( 5.395 2.335 0.000) 5.879 3.437 ( -7.778 -3.573 0.000) 8.559 3.740 ( -10.293 -8.485 0.000) 13.340 5.524 ( 10.253 -12.563 0.000) 16.216 5.606 ( 7.052 -10.524 0.000) 12.668 7.555 ( 3.690 -2.598 0.000) 4.513 7.999 ( -9.541 3.053 0.000) 10.017 10.936 ( 11.946 5.488 0.000) 13.146 11.108 ( 3.702 -5.005 0.000) 6.225 11.652 ( 17.912 -9.999 0.000) 20.514 12.350 ( -3.655 -4.847 0.000) 6.071 13.737 ( 16.392 7.262 0.000) 17.929 14.097 ( 8.984 -3.322 0.000) 9.579 14.611 ( 9.981 0.454 0.000) 9.991 15.087 ( -9.075 14.726 0.000) 17.298 15.469 ( 0.576 1.676 0.000) 1.772 16.292 ( -19.008 -0.076 0.000) 19.008 37.336 ( 6.468 0.971 0.000) 6.541 37.459 ( 2.571 -1.658 0.000) 3.059 39.889 ( -0.313 1.828 0.000) 1.855 40.085 ( -6.273 -2.590 0.000) 6.787 53.560 ( -9.256 22.193 0.000) 24.046 54.079 ( -27.935 13.903 0.000) 31.204 ======================= Grid point 67 (40/240) ======================= q-point: ( 0.47 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( 5.867 -5.258 0.000) 7.879 3.205 ( -7.103 -7.927 0.000) 10.644 3.403 ( 5.872 0.391 0.000) 5.885 3.554 ( -8.307 -4.571 0.000) 9.482 5.666 ( 3.962 -12.855 0.000) 13.451 5.691 ( 1.434 -12.204 0.000) 12.288 7.661 ( 6.656 0.074 0.000) 6.656 7.816 ( -8.466 2.264 0.000) 8.764 11.109 ( 5.170 1.302 0.000) 5.331 11.154 ( 0.403 -2.797 0.000) 2.826 11.979 ( 14.166 -7.631 0.000) 16.090 12.218 ( -9.312 -5.494 0.000) 10.812 14.036 ( 12.166 4.769 0.000) 13.067 14.184 ( -1.478 0.340 0.000) 1.516 14.754 ( 5.953 6.132 0.000) 8.546 14.902 ( -8.714 13.460 0.000) 16.035 15.611 ( 12.457 -0.848 0.000) 12.486 15.922 ( -17.339 -1.007 0.000) 17.368 37.440 ( 3.626 0.025 0.000) 3.626 37.481 ( -0.458 -0.879 0.000) 0.991 39.907 ( 2.142 0.136 0.000) 2.146 39.975 ( -4.463 -1.413 0.000) 4.682 53.485 ( 2.102 18.317 0.000) 18.437 53.651 ( -14.498 15.868 0.000) 21.494 ======================= Grid point 75 (41/240) ======================= q-point: ( 0.00 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 0.000 10.713 0.000) 10.713 2.739 ( 0.000 -6.125 0.000) 6.125 3.252 ( 0.000 21.286 0.000) 21.286 3.645 ( 0.000 -15.009 0.000) 15.009 4.622 ( 0.000 11.104 0.000) 11.104 5.387 ( 0.000 2.317 0.000) 2.317 7.902 ( 0.000 0.525 0.000) 0.525 8.658 ( 0.000 -0.686 0.000) 0.686 8.887 ( 0.000 -7.366 0.000) 7.366 9.303 ( 0.000 -1.336 0.000) 1.336 10.837 ( 0.000 -0.978 0.000) 0.978 11.522 ( 0.000 1.664 0.000) 1.664 12.199 ( 0.000 -1.224 0.000) 1.224 12.766 ( 0.000 -2.712 0.000) 2.712 13.265 ( 0.000 -3.575 0.000) 3.575 16.106 ( 0.000 5.414 0.000) 5.414 16.238 ( 0.000 -2.568 0.000) 2.568 18.324 ( 0.000 0.454 0.000) 0.454 36.563 ( 0.000 1.809 0.000) 1.809 36.836 ( 0.000 -1.264 0.000) 1.264 40.301 ( 0.000 1.161 0.000) 1.161 40.690 ( 0.000 -1.201 0.000) 1.201 57.241 ( 0.000 61.202 0.000) 61.202 59.125 ( 0.000 -60.204 0.000) 60.204 ======================= Grid point 76 (42/240) ======================= q-point: ( 0.07 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 17.654 9.884 0.000) 20.233 2.961 ( 20.575 -5.285 0.000) 21.243 3.250 ( 0.002 20.594 0.000) 20.594 3.631 ( -1.392 -14.151 0.000) 14.219 4.544 ( -7.280 8.865 0.000) 11.471 5.331 ( -5.323 2.777 0.000) 6.003 7.829 ( -6.314 -0.183 0.000) 6.316 8.690 ( 0.420 -2.794 0.000) 2.826 8.957 ( 9.319 -4.819 0.000) 10.491 9.469 ( 15.095 -0.911 0.000) 15.123 10.838 ( 0.113 -1.019 0.000) 1.026 11.581 ( 5.700 1.114 0.000) 5.808 12.282 ( 8.000 -0.452 0.000) 8.013 12.857 ( 8.759 -2.761 0.000) 9.184 13.257 ( -0.511 -3.687 0.000) 3.722 16.067 ( -3.891 5.007 0.000) 6.342 16.208 ( -2.962 -1.983 0.000) 3.564 18.222 ( -9.823 0.706 0.000) 9.849 36.601 ( 3.665 1.786 0.000) 4.077 36.867 ( 3.084 -1.289 0.000) 3.343 40.281 ( -1.927 1.293 0.000) 2.321 40.662 ( -2.749 -1.254 0.000) 3.022 57.029 ( -20.373 57.107 0.000) 60.632 58.788 ( -31.967 -53.421 0.000) 62.255 ======================= Grid point 77 (43/240) ======================= q-point: ( 0.13 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.012 ( 17.360 10.958 0.000) 20.530 3.278 ( 5.406 17.981 0.000) 18.776 3.487 ( 25.891 -5.500 0.000) 26.469 3.601 ( 1.589 -10.688 0.000) 10.805 4.356 ( -10.285 2.124 0.000) 10.502 5.190 ( -7.917 3.538 0.000) 8.671 7.685 ( -7.168 -1.186 0.000) 7.265 8.634 ( -5.148 -4.585 0.000) 6.893 9.281 ( 21.233 -1.913 0.000) 21.319 9.849 ( 21.013 -0.276 0.000) 21.015 10.846 ( 0.713 -1.115 0.000) 1.323 11.746 ( 10.290 -0.051 0.000) 10.290 12.511 ( 14.224 1.227 0.000) 14.276 13.093 ( 12.724 -3.234 0.000) 13.129 13.270 ( 3.498 -3.571 0.000) 4.999 15.952 ( -7.294 4.090 0.000) 8.362 16.122 ( -5.374 -0.550 0.000) 5.402 17.945 ( -16.911 1.185 0.000) 16.952 36.707 ( 6.670 1.712 0.000) 6.886 36.956 ( 5.495 -1.337 0.000) 5.655 40.226 ( -3.506 1.611 0.000) 3.858 40.581 ( -5.104 -1.414 0.000) 5.297 56.460 ( -34.294 46.752 0.000) 57.981 57.918 ( -51.363 -37.626 0.000) 63.670 ======================= Grid point 78 (44/240) ======================= q-point: ( 0.20 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( 1.341 15.008 0.000) 15.068 3.505 ( 2.072 13.196 0.000) 13.357 3.527 ( 5.406 -4.420 0.000) 6.983 4.057 ( 10.153 -14.835 0.000) 17.976 4.228 ( 11.037 0.350 0.000) 11.043 5.054 ( -3.939 2.742 0.000) 4.799 7.556 ( -5.311 -1.554 0.000) 5.534 8.507 ( -7.025 -4.023 0.000) 8.096 9.768 ( 26.051 0.016 0.000) 26.051 10.277 ( 20.591 -0.709 0.000) 20.603 10.870 ( 1.726 -1.307 0.000) 2.165 11.974 ( 11.494 -1.107 0.000) 11.547 12.838 ( 17.507 3.191 0.000) 17.795 13.253 ( 5.813 -5.469 0.000) 7.982 13.521 ( 18.663 -1.850 0.000) 18.754 15.781 ( -9.325 3.384 0.000) 9.920 15.994 ( -7.291 0.935 0.000) 7.351 17.562 ( -20.428 1.393 0.000) 20.476 36.863 ( 8.501 1.570 0.000) 8.645 37.082 ( 6.766 -1.350 0.000) 6.899 40.144 ( -4.410 1.922 0.000) 4.811 40.460 ( -6.731 -1.645 0.000) 6.929 55.703 ( -38.960 34.274 0.000) 51.890 56.814 ( -55.330 -21.131 0.000) 59.228 ======================= Grid point 79 (45/240) ======================= q-point: ( 0.27 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.169 ( 0.186 12.589 0.000) 12.591 3.404 ( -6.682 2.927 0.000) 7.295 3.606 ( -1.693 8.927 0.000) 9.086 3.962 ( -8.677 -18.110 0.000) 20.082 4.711 ( 23.708 -0.619 0.000) 23.716 5.084 ( 6.801 -1.692 0.000) 7.009 7.479 ( -2.180 -1.185 0.000) 2.481 8.358 ( -7.555 -2.525 0.000) 7.966 10.308 ( 26.474 3.371 0.000) 26.688 10.664 ( 17.249 -3.260 0.000) 17.555 10.920 ( 3.463 -1.967 0.000) 3.983 12.179 ( 8.043 -1.880 0.000) 8.260 13.197 ( 17.606 5.803 0.000) 18.538 13.430 ( 12.200 -6.959 0.000) 14.045 13.922 ( 20.059 -1.237 0.000) 20.097 15.589 ( -9.209 3.302 0.000) 9.783 15.829 ( -8.890 1.939 0.000) 9.099 17.135 ( -21.367 1.117 0.000) 21.396 37.042 ( 8.895 1.337 0.000) 8.995 37.221 ( 6.716 -1.275 0.000) 6.836 40.053 ( -4.403 2.007 0.000) 4.839 40.315 ( -7.380 -1.828 0.000) 7.603 54.939 ( -35.348 23.216 0.000) 42.291 55.748 ( -48.746 -8.802 0.000) 49.534 ======================= Grid point 80 (46/240) ======================= q-point: ( 0.33 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( -3.281 10.249 0.000) 10.761 3.271 ( -4.754 1.890 0.000) 5.116 3.532 ( -4.834 2.900 0.000) 5.637 3.747 ( -11.330 -12.883 0.000) 17.156 5.115 ( 16.096 -1.788 0.000) 16.195 5.269 ( 9.763 -5.037 0.000) 10.986 7.474 ( 1.729 -0.283 0.000) 1.752 8.203 ( -7.861 -0.687 0.000) 7.891 10.788 ( 18.795 8.242 0.000) 20.523 10.937 ( 7.582 -2.529 0.000) 7.993 11.072 ( 15.287 -8.474 0.000) 17.479 12.287 ( 2.540 -2.169 0.000) 3.340 13.547 ( 16.907 7.058 0.000) 18.321 13.724 ( 15.692 -6.718 0.000) 17.069 14.307 ( 17.444 -0.834 0.000) 17.464 15.428 ( -6.140 4.332 0.000) 7.514 15.636 ( -10.087 1.823 0.000) 10.251 16.704 ( -21.082 0.470 0.000) 21.087 37.214 ( 7.880 0.998 0.000) 7.942 37.346 ( 5.415 -1.085 0.000) 5.522 39.972 ( -3.417 1.728 0.000) 3.829 40.169 ( -6.932 -1.794 0.000) 7.160 54.310 ( -26.124 15.234 0.000) 30.241 54.871 ( -37.472 -1.276 0.000) 37.494 ======================= Grid point 81 (47/240) ======================= q-point: ( 0.40 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( -4.833 4.464 0.000) 6.579 3.203 ( -4.480 -3.192 0.000) 5.501 3.428 ( -3.888 3.465 0.000) 5.208 3.564 ( -6.238 -8.306 0.000) 10.388 5.367 ( 9.027 -3.142 0.000) 9.558 5.435 ( 6.112 -5.656 0.000) 8.328 7.548 ( 5.531 0.756 0.000) 5.583 8.038 ( -8.436 0.834 0.000) 8.477 11.025 ( 5.775 -0.220 0.000) 5.779 11.056 ( 5.551 2.473 0.000) 6.077 11.473 ( 21.158 -6.265 0.000) 22.066 12.278 ( -3.496 -1.966 0.000) 4.011 13.868 ( 14.251 5.212 0.000) 15.174 14.022 ( 12.556 -3.771 0.000) 13.110 14.611 ( 12.545 -0.110 0.000) 12.545 15.336 ( -6.253 9.581 0.000) 11.442 15.461 ( -3.035 -3.009 0.000) 4.274 16.286 ( -20.091 -0.297 0.000) 20.093 37.353 ( 5.730 0.564 0.000) 5.758 37.433 ( 3.125 -0.779 0.000) 3.220 39.920 ( -1.594 1.083 0.000) 1.927 40.042 ( -5.462 -1.418 0.000) 5.643 53.901 ( -13.980 10.252 0.000) 17.336 54.239 ( -24.920 2.820 0.000) 25.079 ======================= Grid point 82 (48/240) ======================= q-point: ( 0.47 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( 0.691 -0.982 0.000) 1.201 3.076 ( -6.259 -4.260 0.000) 7.572 3.415 ( 1.725 0.995 0.000) 1.992 3.470 ( -3.544 -3.249 0.000) 4.808 5.491 ( 3.398 -4.331 0.000) 5.505 5.510 ( 1.380 -5.184 0.000) 5.364 7.689 ( 8.047 1.490 0.000) 8.184 7.862 ( -8.822 1.581 0.000) 8.962 11.105 ( 2.611 -1.559 0.000) 3.041 11.124 ( 0.984 0.182 0.000) 1.000 11.864 ( 16.810 -3.137 0.000) 17.100 12.140 ( -10.251 -2.015 0.000) 10.447 14.101 ( 8.292 1.845 0.000) 8.495 14.176 ( 1.750 -0.676 0.000) 1.876 14.850 ( 12.233 2.801 0.000) 12.549 15.113 ( -13.135 6.351 0.000) 14.589 15.586 ( 12.380 -1.184 0.000) 12.437 15.900 ( -17.796 -0.838 0.000) 17.816 37.441 ( 2.876 0.085 0.000) 2.877 37.468 ( 0.222 -0.378 0.000) 0.438 39.911 ( 0.765 0.202 0.000) 0.791 39.952 ( -3.264 -0.705 0.000) 3.340 53.750 ( -0.897 7.292 0.000) 7.347 53.864 ( -12.126 5.204 0.000) 13.196 ======================= Grid point 165 (49/240) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 0.000 0.000 28.149) 28.149 0.833 ( 0.000 0.000 38.672) 38.672 1.292 ( 0.000 0.000 59.548) 59.548 2.999 ( 0.000 0.000 -3.098) 3.098 3.813 ( 0.000 0.000 -1.749) 1.749 4.871 ( 0.000 0.000 3.026) 3.026 7.772 ( 0.000 0.000 7.076) 7.076 9.057 ( 0.000 0.000 0.469) 0.469 9.402 ( 0.000 0.000 -1.401) 1.401 10.177 ( 0.000 0.000 -9.620) 9.620 11.200 ( 0.000 0.000 4.625) 4.625 11.357 ( 0.000 0.000 5.751) 5.751 12.411 ( 0.000 0.000 -2.946) 2.946 13.014 ( 0.000 0.000 -7.049) 7.049 14.101 ( 0.000 0.000 3.127) 3.127 15.535 ( 0.000 0.000 -6.209) 6.209 16.854 ( 0.000 0.000 3.217) 3.217 17.358 ( 0.000 0.000 1.335) 1.335 36.294 ( 0.000 0.000 2.061) 2.061 36.971 ( 0.000 0.000 -2.035) 2.035 39.376 ( 0.000 0.000 4.236) 4.236 40.977 ( 0.000 0.000 -4.887) 4.887 54.569 ( 0.000 0.000 5.163) 5.163 56.798 ( 0.000 0.000 -8.780) 8.780 ======================= Grid point 166 (50/240) ======================= q-point: ( 0.07 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 13.723 0.000 31.398) 34.266 1.020 ( 22.726 0.000 25.518) 34.171 1.677 ( 39.659 0.000 38.583) 55.331 3.250 ( 23.098 0.000 -3.529) 23.366 3.793 ( -1.139 0.000 -1.157) 1.624 4.856 ( -1.271 0.000 3.695) 3.908 7.728 ( -3.781 0.000 6.783) 7.766 8.589 ( -26.791 0.000 24.515) 36.315 9.556 ( 14.398 0.000 -1.396) 14.466 9.909 ( 1.982 0.000 2.300) 3.036 11.167 ( 1.993 0.000 2.872) 3.495 12.376 ( 43.584 0.000 -44.280) 62.132 12.447 ( 3.296 0.000 -4.538) 5.608 13.003 ( -0.903 0.000 -5.727) 5.798 14.195 ( 8.264 0.000 2.517) 8.639 15.493 ( -4.095 0.000 -5.772) 7.077 16.296 ( -36.022 0.000 35.526) 50.593 17.316 ( -4.125 0.000 1.081) 4.264 36.337 ( 4.148 0.000 1.935) 4.577 37.113 ( 9.022 0.000 -8.842) 12.633 39.391 ( 1.418 0.000 4.222) 4.454 40.905 ( -5.181 0.000 -1.917) 5.524 54.472 ( -9.442 0.000 4.790) 10.587 54.941 ( -99.588 0.000 82.620) 129.398 ======================= Grid point 167 (51/240) ======================= q-point: ( 0.13 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 22.494 0.000 20.144) 30.196 1.438 ( 20.496 0.000 24.049) 31.598 2.638 ( 48.745 0.000 17.291) 51.721 3.807 ( 4.035 0.000 0.522) 4.069 3.826 ( 30.145 0.000 -6.009) 30.738 4.847 ( 1.913 0.000 6.613) 6.884 7.646 ( -3.699 0.000 6.168) 7.192 8.261 ( -7.944 0.000 13.567) 15.722 9.938 ( 22.042 0.000 -1.831) 22.118 10.108 ( 14.082 0.000 -3.851) 14.599 11.243 ( 5.736 0.000 3.698) 6.825 12.518 ( 2.647 0.000 -9.139) 9.514 12.910 ( 14.282 0.000 -38.291) 40.868 13.000 ( 1.536 0.000 -1.777) 2.349 14.375 ( 8.328 0.000 5.624) 10.049 15.372 ( -7.711 0.000 -4.472) 8.914 15.721 ( -20.898 0.000 34.853) 40.638 17.193 ( -7.871 0.000 0.407) 7.881 36.458 ( 7.659 0.000 1.564) 7.817 37.265 ( 6.275 0.000 -7.501) 9.780 39.432 ( 2.697 0.000 4.177) 4.972 40.798 ( -5.451 0.000 -2.024) 5.815 53.604 ( -41.556 0.000 54.707) 68.701 54.198 ( -17.124 0.000 3.809) 17.543 ======================= Grid point 168 (52/240) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 26.064 0.000 12.529) 28.919 1.862 ( 21.137 0.000 17.241) 27.277 3.399 ( 20.266 0.000 3.898) 20.638 4.121 ( 32.283 0.000 8.347) 33.345 4.259 ( 8.325 0.000 -8.662) 12.014 5.075 ( 23.577 0.000 9.839) 25.548 7.594 ( -1.253 0.000 5.364) 5.508 8.182 ( -1.095 0.000 3.523) 3.689 10.398 ( 13.316 0.000 -8.326) 15.704 10.405 ( 23.242 0.000 -3.409) 23.490 11.409 ( 10.762 0.000 5.848) 12.248 12.514 ( -3.293 0.000 -11.415) 11.881 13.096 ( 5.942 0.000 -29.305) 29.901 13.099 ( 8.358 0.000 -0.007) 8.358 14.510 ( 4.946 0.000 13.476) 14.355 15.187 ( -10.420 0.000 -2.283) 10.667 15.409 ( -10.725 0.000 20.997) 23.577 17.002 ( -10.952 0.000 -0.453) 10.962 36.639 ( 10.033 0.000 0.978) 10.080 37.380 ( 5.195 0.000 -5.379) 7.478 39.498 ( 3.760 0.000 4.091) 5.556 40.679 ( -6.387 0.000 -2.333) 6.799 52.982 ( -23.397 0.000 28.567) 36.925 53.799 ( -21.781 0.000 2.557) 21.930 ======================= Grid point 169 (53/240) ======================= q-point: ( 0.27 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 20.218 0.000 12.185) 23.606 2.381 ( 25.459 0.000 7.967) 26.676 3.602 ( 5.122 0.000 0.090) 5.122 4.249 ( -5.784 0.000 -4.904) 7.583 4.939 ( 42.323 0.000 9.911) 43.468 5.671 ( 30.843 0.000 6.949) 31.617 7.603 ( 2.255 0.000 4.306) 4.861 8.184 ( 0.715 0.000 -1.939) 2.067 10.625 ( 9.209 0.000 -12.116) 15.218 10.847 ( 19.647 0.000 -7.126) 20.899 11.667 ( 14.048 0.000 7.645) 15.993 12.405 ( -6.746 0.000 -7.281) 9.925 13.193 ( 4.218 0.000 -22.981) 23.364 13.312 ( 11.820 0.000 -3.543) 12.340 14.578 ( 1.840 0.000 20.599) 20.681 14.959 ( -11.785 0.000 1.014) 11.829 15.269 ( -3.220 0.000 7.848) 8.483 16.756 ( -13.207 0.000 -1.224) 13.264 36.855 ( 11.001 0.000 0.232) 11.003 37.475 ( 4.100 0.000 -4.181) 5.856 39.583 ( 4.617 0.000 3.933) 6.065 40.540 ( -7.319 0.000 -1.943) 7.572 52.588 ( -16.188 0.000 15.305) 22.278 53.340 ( -22.898 0.000 1.408) 22.941 ======================= Grid point 170 (54/240) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 18.399 0.000 8.777) 20.385 2.863 ( 21.694 0.000 5.154) 22.297 3.679 ( 2.718 0.000 0.184) 2.724 4.089 ( -9.408 0.000 -2.285) 9.682 5.732 ( 35.007 0.000 8.465) 36.016 6.232 ( 23.544 0.000 5.532) 24.185 7.687 ( 5.929 0.000 2.965) 6.629 8.194 ( -0.129 0.000 -4.415) 4.417 10.787 ( 7.292 0.000 -15.016) 16.693 11.175 ( 12.118 0.000 -14.352) 18.784 11.942 ( 12.245 0.000 8.522) 14.918 12.270 ( -5.889 0.000 1.050) 5.982 13.283 ( 4.950 0.000 -18.458) 19.110 13.546 ( 10.445 0.000 -9.135) 13.876 14.590 ( -0.504 0.000 22.071) 22.077 14.724 ( -10.991 0.000 6.070) 12.556 15.273 ( 3.389 0.000 0.748) 3.470 16.473 ( -14.553 0.000 -1.689) 14.650 37.075 ( 10.545 0.000 -0.591) 10.561 37.541 ( 2.271 0.000 -3.506) 4.178 39.684 ( 5.349 0.000 3.643) 6.472 40.386 ( -7.819 0.000 -1.044) 7.888 52.317 ( -10.595 0.000 8.329) 13.477 52.894 ( -20.692 0.000 0.644) 20.702 ======================= Grid point 171 (55/240) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.026 ( 16.287 0.000 6.325) 17.472 3.246 ( 15.810 0.000 3.426) 16.177 3.709 ( 0.045 0.000 0.519) 0.521 3.880 ( -11.087 0.000 -0.278) 11.091 6.330 ( 23.619 0.000 7.048) 24.648 6.604 ( 13.096 0.000 4.968) 14.006 7.830 ( 7.745 0.000 1.355) 7.863 8.169 ( -2.376 0.000 -4.540) 5.124 10.936 ( 7.670 0.000 -18.060) 19.621 11.314 ( 1.443 0.000 -23.014) 23.059 12.140 ( 6.951 0.000 9.685) 11.921 12.195 ( -1.093 0.000 10.710) 10.766 13.400 ( 6.669 0.000 -16.326) 17.636 13.699 ( 3.847 0.000 -15.872) 16.331 14.541 ( -6.309 0.000 13.126) 14.564 14.564 ( -1.877 0.000 19.489) 19.579 15.397 ( 8.574 0.000 -0.976) 8.629 16.173 ( -14.909 0.000 -1.772) 15.014 37.273 ( 8.863 0.000 -1.392) 8.972 37.562 ( -0.294 0.000 -3.051) 3.065 39.800 ( 6.046 0.000 3.144) 6.814 40.227 ( -7.802 0.000 0.125) 7.803 52.163 ( -4.462 0.000 4.398) 6.265 52.520 ( -15.888 0.000 0.434) 15.893 ======================= Grid point 172 (56/240) ======================= q-point: ( 0.47 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.332 ( 13.792 0.000 4.390) 14.474 3.483 ( 5.587 0.000 2.985) 6.334 3.658 ( -8.641 0.000 1.000) 8.698 3.673 ( -3.549 0.000 0.852) 3.650 6.677 ( 10.498 0.000 5.788) 11.988 6.759 ( 2.057 0.000 4.999) 5.406 7.980 ( 6.751 0.000 -0.641) 6.782 8.097 ( -4.723 0.000 -2.921) 5.553 11.099 ( 8.284 0.000 -21.658) 23.188 11.254 ( -6.300 0.000 -24.794) 25.582 12.210 ( 1.597 0.000 13.565) 13.659 12.221 ( 1.274 0.000 11.721) 11.791 13.548 ( 7.688 0.000 -16.961) 18.622 13.685 ( -4.781 0.000 -18.716) 19.317 14.484 ( 0.317 0.000 17.259) 17.262 14.519 ( -2.395 0.000 17.675) 17.836 15.609 ( 12.101 0.000 -1.281) 12.169 15.877 ( -14.150 0.000 -1.562) 14.236 37.428 ( 6.304 0.000 -2.080) 6.638 37.526 ( -3.295 0.000 -2.618) 4.208 39.929 ( 6.743 0.000 2.371) 7.147 40.072 ( -7.380 0.000 1.329) 7.499 52.141 ( 2.394 0.000 2.117) 3.196 52.262 ( -9.458 0.000 0.883) 9.499 ======================= Grid point 180 (57/240) ======================= q-point: ( 0.00 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 0.000 20.520 19.424) 28.255 0.928 ( 0.000 18.658 23.654) 30.127 1.821 ( 0.000 39.682 46.357) 61.022 2.994 ( 0.000 -0.591 -2.890) 2.950 3.906 ( 0.000 9.420 -4.179) 10.306 4.928 ( 0.000 3.415 5.478) 6.455 7.885 ( 0.000 4.475 -3.310) 5.566 9.002 ( 0.000 -4.860 0.795) 4.925 9.416 ( 0.000 0.920 -1.561) 1.812 10.024 ( 0.000 -12.804 -12.441) 17.853 11.227 ( 0.000 2.599 4.379) 5.093 11.261 ( 0.000 -4.738 10.330) 11.365 12.394 ( 0.000 -1.630 -2.878) 3.308 13.342 ( 0.000 11.932 -16.818) 20.621 14.034 ( 0.000 -6.351 2.053) 6.674 15.508 ( 0.000 -0.643 5.158) 5.198 16.251 ( 0.000 -14.334 18.740) 23.594 17.988 ( 0.000 18.526 -21.760) 28.578 36.313 ( 0.000 1.799 1.977) 2.673 36.964 ( 0.000 -0.745 -1.963) 2.100 39.774 ( 0.000 19.646 -14.710) 24.542 40.911 ( 0.000 -4.550 -2.164) 5.039 53.695 ( 0.000 -10.244 31.872) 33.478 59.964 ( 0.000 129.575 -149.267) 197.662 ======================= Grid point 181 (58/240) ======================= q-point: ( 0.07 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 12.648 14.213 20.619) 28.056 1.250 ( 26.102 17.205 16.929) 35.552 2.052 ( 25.201 31.721 36.560) 54.570 3.241 ( 22.714 -1.045 -3.101) 22.948 3.893 ( -0.755 9.567 -3.791) 10.318 4.903 ( -2.018 3.325 6.100) 7.234 7.870 ( -1.254 5.957 -4.295) 7.450 8.770 ( -21.184 11.962 10.294) 26.416 9.533 ( 12.866 -1.953 -1.960) 13.160 9.868 ( -0.266 -4.934 -1.889) 5.290 11.154 ( 1.596 -0.868 3.679) 4.103 11.845 ( 29.147 -24.882 -8.399) 39.232 12.462 ( 7.054 -1.873 -3.308) 8.013 13.341 ( -0.440 11.543 -18.146) 21.511 14.115 ( 7.403 -7.804 1.772) 10.902 15.456 ( -5.067 -0.829 7.395) 9.002 16.092 ( -13.910 -5.131 18.513) 23.718 17.739 ( -18.413 21.105 -10.139) 29.787 36.355 ( 4.134 1.782 1.879) 4.878 37.049 ( 6.938 -3.756 -3.814) 8.763 39.704 ( -5.232 18.868 -7.797) 21.075 40.867 ( -3.717 -3.106 -1.914) 5.208 53.592 ( -9.798 -6.547 30.360) 32.567 57.984 (-135.495 152.271 -46.689) 209.105 ======================= Grid point 182 (59/240) ======================= q-point: ( 0.13 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 20.238 8.528 14.059) 26.076 1.682 ( 18.250 18.519 21.326) 33.628 2.788 ( 41.326 14.105 16.999) 46.859 3.792 ( 25.507 -0.698 -2.417) 25.631 3.929 ( 8.852 8.546 -4.083) 12.964 4.877 ( 0.815 2.520 8.426) 8.833 7.840 ( -1.879 10.392 -4.649) 11.538 8.378 ( -14.797 13.104 12.738) 23.514 9.885 ( 18.869 -5.922 -4.160) 20.209 10.043 ( 15.624 -5.238 -2.284) 16.636 11.231 ( 5.931 -1.177 3.889) 7.190 12.224 ( 10.047 -22.106 -10.518) 26.463 12.682 ( 13.499 -6.345 -3.432) 15.306 13.317 ( -1.712 10.660 -20.295) 22.988 14.296 ( 9.552 -8.915 2.054) 13.226 15.312 ( -8.832 -0.795 12.751) 15.532 15.782 ( -15.055 5.431 13.060) 20.657 17.395 ( -15.226 14.621 -2.593) 21.268 36.476 ( 7.605 1.713 1.573) 7.952 37.196 ( 7.115 -5.073 -4.574) 9.863 39.621 ( -2.449 14.254 -0.632) 14.477 40.777 ( -5.074 -1.982 -2.315) 5.919 53.326 ( -15.623 1.477 25.344) 29.809 55.794 ( -79.198 108.424 -0.711) 134.271 ======================= Grid point 183 (60/240) ======================= q-point: ( 0.20 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 23.277 3.616 9.719) 25.483 2.051 ( 18.734 13.945 17.466) 29.162 3.437 ( 17.360 3.703 3.175) 18.033 4.180 ( 23.420 4.225 1.885) 23.872 4.309 ( 17.233 5.293 -2.868) 18.254 5.063 ( 20.858 -1.285 10.911) 23.574 7.790 ( -2.855 14.883 -1.077) 15.193 8.184 ( -5.038 1.626 5.224) 7.437 10.200 ( 12.713 -12.611 -8.240) 19.712 10.467 ( 23.874 0.260 -3.153) 24.083 11.393 ( 9.907 -1.997 5.858) 11.682 12.346 ( 3.160 -12.198 -8.749) 15.340 12.955 ( 12.704 -7.849 -0.787) 14.954 13.290 ( -0.099 9.988 -22.884) 24.969 14.474 ( 7.612 -7.020 4.221) 11.182 15.120 ( -9.629 0.125 16.125) 18.782 15.508 ( -11.945 7.024 6.137) 15.155 17.103 ( -14.045 8.386 -1.259) 16.406 36.655 ( 9.936 1.566 1.061) 10.115 37.331 ( 6.149 -4.110 -4.014) 8.415 39.605 ( 0.719 9.109 2.083) 9.371 40.662 ( -6.268 -1.627 -2.454) 6.926 52.993 ( -16.590 7.743 18.120) 25.759 54.567 ( -47.036 63.093 2.052) 78.723 ======================= Grid point 184 (61/240) ======================= q-point: ( 0.27 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 21.767 1.916 8.328) 23.384 2.445 ( 20.117 6.896 11.340) 24.100 3.610 ( 4.050 0.867 -0.488) 4.171 4.270 ( -4.967 1.619 -4.587) 6.952 4.991 ( 39.010 4.779 9.246) 40.374 5.619 ( 29.505 -5.375 7.394) 30.889 7.743 ( -1.254 12.483 2.143) 12.727 8.134 ( -0.810 -4.775 -1.536) 5.081 10.421 ( 9.399 -14.000 -12.199) 20.812 10.938 ( 21.692 3.896 -5.964) 22.832 11.612 ( 10.970 -5.528 8.200) 14.770 12.372 ( -0.232 -2.241 -5.601) 6.037 13.155 ( 6.271 -6.046 -4.199) 9.670 13.368 ( 8.668 7.648 -20.182) 23.258 14.590 ( 3.304 -3.878 7.019) 8.673 14.936 ( -8.270 2.780 16.558) 18.716 15.309 ( -6.996 3.747 2.019) 8.189 16.814 ( -14.623 5.064 -1.326) 15.532 36.868 ( 10.858 1.333 0.385) 10.946 37.443 ( 4.825 -2.867 -3.374) 6.548 39.642 ( 2.778 5.309 2.957) 6.682 40.525 ( -7.243 -1.462 -1.987) 7.652 52.676 ( -14.350 10.489 11.614) 21.233 53.764 ( -33.950 37.652 1.044) 50.708 ======================= Grid point 185 (62/240) ======================= q-point: ( 0.33 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 18.236 3.038 8.059) 20.167 2.854 ( 19.575 -0.305 6.027) 20.484 3.664 ( 1.554 -1.320 -0.424) 2.082 4.120 ( -9.088 2.558 -1.703) 9.593 5.722 ( 32.035 -1.079 7.959) 33.027 6.159 ( 22.743 -7.494 5.766) 24.631 7.753 ( 2.335 6.215 2.257) 7.012 8.124 ( -0.542 -6.693 -3.926) 7.778 10.593 ( 7.848 -13.087 -16.118) 22.196 11.315 ( 14.851 8.263 -11.377) 20.452 11.803 ( 7.290 -10.739 10.465) 16.673 12.361 ( 0.020 6.156 -0.265) 6.162 13.262 ( 5.583 -2.136 -11.350) 12.828 13.580 ( 10.415 4.066 -15.252) 18.911 14.582 ( -4.292 -2.814 7.717) 9.267 14.795 ( -5.432 7.939 19.030) 21.323 15.257 ( 2.126 -0.730 -0.558) 2.316 16.511 ( -15.306 3.325 -1.492) 15.734 37.085 ( 10.347 1.002 -0.391) 10.402 37.521 ( 2.832 -1.780 -2.868) 4.406 39.714 ( 4.194 2.714 3.116) 5.888 40.372 ( -7.731 -1.307 -1.064) 7.912 52.426 ( -10.035 11.357 6.939) 16.668 53.160 ( -25.915 24.622 0.539) 35.750 ======================= Grid point 186 (63/240) ======================= q-point: ( 0.40 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.053 ( 15.759 2.609 6.328) 17.181 3.212 ( 15.420 -3.197 3.639) 16.163 3.670 ( -1.215 -3.363 -0.071) 3.577 3.917 ( -10.742 2.896 0.512) 11.138 6.263 ( 21.102 -6.337 6.769) 23.049 6.516 ( 12.353 -8.895 5.194) 16.084 7.830 ( 4.839 -0.154 0.587) 4.877 8.104 ( -1.557 -6.136 -3.244) 7.113 10.744 ( 6.898 -12.079 -20.380) 24.674 11.508 ( 3.809 11.916 -16.924) 21.046 11.916 ( 4.714 -11.411 11.935) 17.172 12.389 ( 2.351 8.607 6.323) 10.936 13.395 ( 7.480 0.083 -13.429) 15.372 13.741 ( 4.465 3.838 -17.825) 18.772 14.460 ( -6.003 -2.501 11.188) 12.941 14.713 ( -2.916 8.842 19.213) 21.350 15.378 ( 9.082 -1.368 -1.093) 9.250 16.199 ( -15.399 2.283 -1.369) 15.627 37.279 ( 8.573 0.540 -1.201) 8.674 37.553 ( 0.195 -0.840 -2.409) 2.559 39.810 ( 5.322 0.991 2.845) 6.116 40.216 ( -7.660 -1.084 0.100) 7.737 52.280 ( -4.151 11.724 3.786) 13.001 52.711 ( -18.401 18.035 0.666) 25.774 ======================= Grid point 187 (64/240) ======================= q-point: ( 0.47 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.344 ( 12.473 0.988 4.069) 13.157 3.463 ( 8.156 -2.161 3.001) 8.955 3.608 ( -4.145 -3.831 0.486) 5.665 3.700 ( -9.890 1.484 2.161) 10.231 6.573 ( 9.606 -9.676 5.756) 14.800 6.656 ( 1.440 -10.076 5.189) 11.425 7.923 ( 3.454 -5.797 -2.410) 7.165 8.065 ( -1.837 -2.926 -0.358) 3.473 10.855 ( 3.367 -12.371 -24.511) 27.662 11.514 ( -1.188 13.041 -14.868) 19.813 11.996 ( 2.426 -8.179 8.867) 12.305 12.431 ( 1.269 8.105 10.505) 13.329 13.551 ( 6.981 1.348 -15.370) 16.934 13.742 ( -3.414 4.868 -19.454) 20.342 14.384 ( -1.496 -3.693 14.427) 14.968 14.672 ( -1.068 8.811 18.469) 20.490 15.599 ( 12.064 -0.730 -1.672) 12.201 15.896 ( -13.994 1.736 -0.647) 14.116 37.424 ( 5.488 -0.269 -2.150) 5.900 37.528 ( -2.415 0.201 -1.700) 2.960 39.928 ( 6.269 -0.124 2.180) 6.638 40.065 ( -7.092 -0.686 1.289) 7.241 52.263 ( 2.279 12.101 1.385) 12.391 52.420 ( -9.991 15.036 1.686) 18.131 ======================= Grid point 195 (65/240) ======================= q-point: ( 0.00 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 0.000 23.912 11.424) 26.500 1.465 ( 0.000 30.903 2.120) 30.976 2.667 ( 0.000 42.757 34.292) 54.810 2.974 ( 0.000 -1.429 -2.303) 2.710 4.113 ( 0.000 8.871 -10.087) 13.432 5.029 ( 0.000 8.045 13.994) 16.142 7.912 ( 0.000 -0.753 -3.279) 3.364 8.889 ( 0.000 -5.914 1.383) 6.073 9.421 ( 0.000 -0.667 -1.738) 1.862 9.715 ( 0.000 -17.464 -15.069) 23.066 11.174 ( 0.000 -4.552 10.415) 11.366 11.299 ( 0.000 4.406 3.739) 5.779 12.349 ( 0.000 -2.868 -2.688) 3.930 13.352 ( 0.000 -7.477 -2.915) 8.025 13.865 ( 0.000 -10.064 2.356) 10.336 15.579 ( 0.000 7.325 5.855) 9.378 16.186 ( 0.000 2.267 4.195) 4.768 18.159 ( 0.000 2.873 -13.904) 14.198 36.364 ( 0.000 3.214 1.740) 3.655 36.942 ( 0.000 -1.448 -1.758) 2.278 40.024 ( 0.000 7.680 -9.280) 12.046 40.826 ( 0.000 -3.986 -2.868) 4.911 53.946 ( 0.000 28.843 14.910) 32.469 61.181 ( 0.000 11.571 -97.415) 98.100 ======================= Grid point 196 (66/240) ======================= q-point: ( 0.07 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 8.768 24.714 6.459) 27.007 1.664 ( 21.916 23.358 7.515) 32.900 2.763 ( 10.942 36.378 28.814) 47.679 3.215 ( 22.018 -1.043 -1.364) 22.085 4.101 ( -0.702 9.164 -9.152) 12.970 5.000 ( -2.575 7.443 13.826) 15.912 7.907 ( -0.354 -1.014 -3.695) 3.848 8.893 ( -3.708 0.509 0.870) 3.843 9.474 ( 6.243 -5.082 -6.808) 10.543 9.710 ( 4.108 -9.339 -4.648) 11.212 11.135 ( 0.183 -1.685 6.107) 6.338 11.543 ( 17.162 -6.813 2.736) 18.667 12.407 ( 5.701 -3.348 -2.218) 6.973 13.367 ( 1.238 -5.989 -5.571) 8.272 13.909 ( 4.396 -11.801 2.999) 12.946 15.534 ( -4.262 7.941 7.082) 11.462 16.109 ( -7.333 3.878 3.502) 9.004 17.989 ( -15.102 6.161 -10.467) 19.380 36.405 ( 4.065 3.162 1.699) 5.423 36.990 ( 4.481 -2.413 -2.002) 5.470 39.973 ( -4.466 9.014 -7.115) 12.321 40.799 ( -2.638 -3.637 -2.930) 5.364 53.865 ( -7.799 28.605 14.267) 32.903 59.911 (-106.546 45.455 -64.314) 132.493 ======================= Grid point 197 (67/240) ======================= q-point: ( 0.13 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 12.934 19.261 3.584) 23.476 2.098 ( 17.687 22.147 15.589) 32.347 3.140 ( 24.190 19.259 14.199) 34.025 3.767 ( 29.431 -1.892 -2.296) 29.581 4.125 ( 5.289 9.966 -5.174) 12.413 4.949 ( -1.451 5.273 14.057) 15.083 7.904 ( 0.123 -1.990 -4.068) 4.530 8.674 ( -15.311 11.696 -0.129) 19.268 9.694 ( 13.147 -11.891 -7.368) 19.197 9.957 ( 19.599 -3.147 0.423) 19.854 11.187 ( 4.542 -3.745 4.823) 7.611 11.882 ( 15.324 -10.635 -0.827) 18.671 12.572 ( 10.255 -5.070 -0.614) 11.456 13.394 ( 1.463 -1.558 -11.729) 11.922 14.037 ( 7.841 -15.234 3.766) 17.543 15.415 ( -7.197 9.553 10.430) 15.870 15.909 ( -11.733 6.645 1.542) 13.572 17.633 ( -18.518 8.528 -5.372) 21.083 36.524 ( 7.453 3.012 1.545) 8.186 37.107 ( 6.653 -3.712 -2.273) 7.950 39.873 ( -4.786 10.138 -3.206) 11.660 40.725 ( -4.578 -3.169 -2.993) 6.321 53.645 ( -13.474 27.799 12.484) 33.319 57.662 (-103.748 69.050 -24.624) 127.035 ======================= Grid point 198 (68/240) ======================= q-point: ( 0.20 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 17.252 11.327 3.032) 20.860 2.396 ( 13.038 19.940 17.493) 29.557 3.534 ( 10.909 5.376 0.505) 12.172 4.216 ( 13.166 -0.655 -7.075) 14.961 4.477 ( 27.901 10.008 6.076) 30.258 5.028 ( 12.575 -1.814 13.848) 18.793 7.909 ( 0.250 -3.678 -3.443) 5.044 8.362 ( -14.467 13.751 -0.162) 19.960 9.950 ( 12.034 -11.093 -7.512) 18.008 10.435 ( 25.799 -2.914 -1.718) 26.019 11.307 ( 7.001 -6.849 6.189) 11.585 12.152 ( 11.427 -6.182 -2.289) 13.192 12.801 ( 11.737 -6.657 1.559) 13.583 13.435 ( 2.947 3.789 -18.462) 19.076 14.210 ( 8.918 -16.445 3.599) 19.050 15.259 ( -7.771 11.256 14.839) 20.181 15.657 ( -12.701 7.727 -0.971) 14.899 17.267 ( -17.495 7.093 -2.672) 19.067 36.699 ( 9.678 2.750 1.239) 10.137 37.246 ( 6.886 -3.949 -2.207) 8.240 39.795 ( -2.690 8.913 -0.335) 9.316 40.616 ( -6.047 -2.904 -2.755) 7.252 53.343 ( -15.778 26.339 9.997) 32.290 55.873 ( -73.409 59.645 -8.442) 94.961 ======================= Grid point 199 (69/240) ======================= q-point: ( 0.27 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 19.020 4.628 3.289) 19.849 2.654 ( 12.682 13.616 14.473) 23.573 3.632 ( 1.205 0.957 -2.845) 3.234 4.299 ( -3.219 1.339 -2.292) 4.172 5.098 ( 31.493 5.060 7.938) 32.870 5.454 ( 25.324 -10.948 8.331) 28.819 7.907 ( -0.852 -5.014 -1.510) 5.305 8.112 ( -9.665 9.750 -1.171) 13.779 10.181 ( 10.807 -8.752 -10.853) 17.640 10.953 ( 24.535 -2.159 -4.122) 24.973 11.455 ( 7.257 -9.655 9.178) 15.170 12.345 ( 7.477 -0.600 -2.300) 7.846 13.026 ( 10.293 -5.100 1.017) 11.532 13.530 ( 6.579 6.394 -22.207) 24.028 14.381 ( 7.515 -13.355 3.070) 15.629 15.113 ( -6.637 11.600 18.819) 23.082 15.417 ( -10.244 7.012 -2.910) 12.750 16.921 ( -16.793 5.013 -1.627) 17.600 36.906 ( 10.479 2.352 0.772) 10.767 37.377 ( 5.877 -3.360 -1.914) 7.035 39.765 ( -0.307 6.383 1.267) 6.515 40.483 ( -7.059 -2.706 -2.101) 7.846 53.030 ( -14.597 24.462 7.390) 29.429 54.631 ( -50.834 44.360 -3.107) 67.539 ======================= Grid point 200 (70/240) ======================= q-point: ( 0.33 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( 18.511 0.435 3.845) 18.912 2.909 ( 12.341 6.699 10.296) 17.412 3.629 ( -1.156 -2.237 -2.398) 3.477 4.169 ( -8.645 2.013 1.013) 8.934 5.681 ( 25.079 -3.234 6.716) 26.163 5.933 ( 20.528 -14.825 5.910) 26.002 7.857 ( -3.860 -2.875 -0.848) 4.888 7.994 ( -2.150 0.486 -0.856) 2.365 10.389 ( 9.750 -6.231 -15.452) 19.304 11.401 ( 18.850 -0.570 -7.493) 20.293 11.589 ( 6.084 -9.590 12.522) 16.905 12.452 ( 3.293 2.407 -0.996) 4.199 13.224 ( 9.663 -0.642 -3.767) 10.391 13.689 ( 8.409 5.395 -21.212) 23.447 14.488 ( 2.228 -5.325 3.495) 6.748 14.981 ( -6.509 8.983 18.704) 21.746 15.290 ( -1.097 4.903 -1.447) 5.229 16.583 ( -16.608 3.504 -1.108) 17.010 37.114 ( 9.828 1.800 0.160) 9.993 37.478 ( 3.905 -2.403 -1.508) 4.827 39.781 ( 1.790 3.724 2.021) 4.600 40.334 ( -7.479 -2.444 -1.111) 7.946 52.771 ( -10.496 22.692 5.079) 25.512 53.766 ( -35.419 33.136 -0.906) 48.511 ======================= Grid point 201 (71/240) ======================= q-point: ( 0.40 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.105 ( 16.237 -1.113 4.027) 16.766 3.149 ( 11.410 0.838 6.513) 13.165 3.587 ( -3.079 -4.823 -1.296) 5.866 3.968 ( -11.030 1.749 2.917) 11.542 6.095 ( 15.675 -10.180 5.894) 19.598 6.256 ( 11.111 -16.607 5.247) 20.658 7.790 ( -2.190 -5.493 -3.245) 6.745 7.983 ( 0.365 -3.315 2.363) 4.087 10.570 ( 7.800 -4.602 -20.238) 22.172 11.619 ( 2.987 -3.288 6.266) 7.681 11.774 ( 11.531 -1.180 -3.370) 12.071 12.492 ( 1.084 1.584 2.639) 3.264 13.427 ( 10.377 3.517 -8.490) 13.861 13.834 ( 4.917 4.784 -20.625) 21.736 14.455 ( -4.793 2.117 6.477) 8.331 14.875 ( -3.395 6.690 16.804) 18.402 15.374 ( 8.492 1.693 0.253) 8.663 16.250 ( -16.259 2.517 -0.460) 16.459 37.295 ( 7.857 1.067 -0.600) 7.952 37.531 ( 1.259 -1.311 -0.967) 2.060 39.836 ( 3.601 1.476 2.164) 4.453 40.184 ( -7.244 -2.013 0.041) 7.518 52.619 ( -4.228 21.544 3.110) 22.174 53.174 ( -23.369 26.476 0.578) 35.318 ======================= Grid point 202 (72/240) ======================= q-point: ( 0.47 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.340 ( 8.374 -3.197 2.790) 9.388 3.416 ( 11.119 -0.870 3.730) 11.760 3.510 ( -2.546 -5.804 0.519) 6.359 3.729 ( -12.241 1.204 4.700) 13.168 6.322 ( 6.930 -14.856 5.374) 17.251 6.382 ( 1.510 -16.552 5.232) 17.424 7.766 ( -0.428 -8.824 -4.684) 10.000 7.993 ( 0.405 -3.853 4.301) 5.788 10.687 ( 3.241 -4.221 -23.869) 24.455 11.639 ( 0.020 -0.206 10.903) 10.905 11.940 ( 4.248 1.342 -10.705) 11.595 12.507 ( 0.405 -0.614 7.059) 7.098 13.628 ( 8.131 6.244 -12.323) 16.030 13.857 ( -2.292 6.344 -20.504) 21.585 14.362 ( -2.878 1.700 9.922) 10.470 14.837 ( -0.754 7.297 16.657) 18.201 15.593 ( 11.711 0.352 -1.336) 11.793 15.936 ( -13.818 2.042 1.191) 14.018 37.422 ( 4.201 0.070 -1.756) 4.554 37.530 ( -1.011 -0.113 0.042) 1.018 39.924 ( 5.054 -0.224 1.738) 5.349 40.046 ( -6.313 -1.273 1.179) 6.547 52.606 ( 2.564 21.340 0.892) 21.512 52.815 ( -11.804 23.131 2.509) 26.090 ======================= Grid point 210 (73/240) ======================= q-point: ( 0.00 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 0.000 21.807 7.093) 22.932 2.078 ( 0.000 29.586 -6.077) 30.204 2.933 ( 0.000 -2.772 -1.431) 3.120 3.434 ( 0.000 30.225 17.822) 35.088 4.238 ( 0.000 6.405 -4.053) 7.580 5.255 ( 0.000 13.292 18.485) 22.768 7.885 ( 0.000 -1.515 -2.515) 2.936 8.782 ( 0.000 -4.612 1.833) 4.962 9.352 ( 0.000 -18.249 -14.462) 23.285 9.389 ( 0.000 -2.466 -1.727) 3.011 11.078 ( 0.000 -4.863 10.412) 11.491 11.394 ( 0.000 4.905 2.938) 5.717 12.285 ( 0.000 -3.371 -2.412) 4.145 13.148 ( 0.000 -11.398 3.656) 11.970 13.657 ( 0.000 -10.253 4.928) 11.376 15.757 ( 0.000 9.650 1.008) 9.703 16.239 ( 0.000 2.078 0.012) 2.078 18.185 ( 0.000 0.599 -10.863) 10.880 36.436 ( 0.000 3.931 1.393) 4.170 36.907 ( 0.000 -2.019 -1.453) 2.488 40.139 ( 0.000 4.542 -5.498) 7.132 40.749 ( 0.000 -3.811 -4.152) 5.636 54.736 ( 0.000 48.966 4.902) 49.210 60.903 ( 0.000 -33.284 -59.131) 67.855 ======================= Grid point 211 (74/240) ======================= q-point: ( 0.07 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 12.403 22.541 3.783) 26.005 2.156 ( 11.327 25.337 -2.273) 27.846 3.137 ( 18.356 -1.520 -0.780) 18.435 3.459 ( 3.445 24.249 14.338) 28.381 4.241 ( 0.747 7.277 -2.608) 7.766 5.208 ( -4.408 12.285 18.371) 22.536 7.865 ( -1.702 -2.556 -2.359) 3.872 8.848 ( 3.182 -3.881 -0.108) 5.020 9.288 ( 0.953 -12.654 -12.213) 17.613 9.568 ( 12.795 -4.826 -1.116) 13.720 11.069 ( -0.223 -4.377 8.650) 9.697 11.510 ( 10.519 1.838 3.161) 11.136 12.339 ( 5.238 -3.234 -1.821) 6.420 13.190 ( 4.007 -10.305 0.822) 11.087 13.676 ( 2.083 -10.996 5.807) 12.609 15.723 ( -3.351 9.964 1.673) 10.645 16.183 ( -5.492 2.795 -0.392) 6.175 18.060 ( -11.690 2.096 -9.503) 15.211 36.477 ( 3.946 3.864 1.408) 5.700 36.944 ( 3.553 -2.307 -1.441) 4.475 40.108 ( -2.907 5.203 -4.809) 7.659 40.724 ( -2.374 -3.761 -4.045) 6.012 54.638 ( -9.421 47.582 4.864) 48.749 60.147 ( -68.571 -14.640 -48.414) 85.207 ======================= Grid point 212 (75/240) ======================= q-point: ( 0.13 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 6.580 22.728 -3.879) 23.977 2.535 ( 19.263 20.982 9.679) 30.083 3.474 ( 9.922 12.047 4.847) 16.342 3.713 ( 24.071 -3.674 -2.712) 24.501 4.308 ( 7.669 9.008 2.872) 12.174 5.097 ( -5.804 9.102 18.090) 21.066 7.823 ( -2.328 -5.130 -1.760) 5.902 8.781 ( -8.934 -0.384 -6.558) 11.089 9.469 ( 14.741 -9.771 -5.741) 18.593 9.903 ( 20.228 -2.564 0.175) 20.391 11.085 ( 1.880 -5.665 6.972) 9.178 11.777 ( 14.907 -1.476 2.256) 15.148 12.491 ( 9.605 -2.679 -0.461) 9.983 13.297 ( 6.081 -7.559 -6.705) 11.793 13.752 ( 5.757 -12.284 7.984) 15.741 15.627 ( -5.931 10.671 3.687) 12.753 16.025 ( -9.757 4.557 -1.477) 10.869 17.753 ( -17.603 4.199 -6.634) 19.274 36.592 ( 7.219 3.669 1.424) 8.222 37.043 ( 6.010 -2.827 -1.351) 6.778 40.032 ( -4.247 6.278 -3.187) 8.222 40.655 ( -4.384 -3.689 -3.713) 6.827 54.371 ( -16.368 43.834 4.732) 47.029 58.471 ( -89.015 14.129 -28.998) 94.680 ======================= Grid point 213 (76/240) ======================= q-point: ( 0.20 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 9.707 16.441 -3.738) 19.455 2.821 ( 9.496 22.000 15.746) 28.672 3.613 ( 3.583 1.390 -4.955) 6.271 4.185 ( 17.865 -1.644 -4.544) 18.507 4.623 ( 23.159 2.638 7.944) 24.626 5.026 ( 1.057 2.721 16.686) 16.940 7.773 ( -2.592 -8.042 -0.824) 8.490 8.556 ( -12.177 4.418 -6.620) 14.547 9.788 ( 15.745 -5.081 -4.721) 17.205 10.367 ( 24.796 -3.621 -1.046) 25.081 11.147 ( 4.300 -7.959 7.338) 11.648 12.079 ( 14.128 -2.293 1.105) 14.356 12.718 ( 12.507 -1.331 0.626) 12.593 13.425 ( 6.551 -5.022 -14.403) 16.600 13.917 ( 10.392 -11.460 8.492) 17.647 15.491 ( -7.312 11.060 6.898) 14.946 15.803 ( -11.713 6.506 -2.808) 13.690 17.380 ( -18.704 4.464 -4.029) 19.647 36.761 ( 9.313 3.341 1.379) 9.990 37.177 ( 6.957 -3.061 -1.113) 7.682 39.948 ( -3.849 6.423 -1.417) 7.621 40.550 ( -5.906 -3.635 -3.114) 7.602 54.003 ( -19.320 38.720 4.486) 43.504 56.759 ( -77.324 27.370 -14.852) 83.359 ======================= Grid point 214 (77/240) ======================= q-point: ( 0.27 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( 12.402 9.157 -1.833) 15.524 2.968 ( 6.038 17.316 15.683) 24.130 3.626 ( -1.603 -2.065 -6.713) 7.204 4.333 ( -2.312 2.300 2.862) 4.338 5.139 ( 25.329 -6.867 6.171) 26.959 5.223 ( 17.140 -6.107 9.688) 20.614 7.720 ( -2.562 -9.982 -0.125) 10.307 8.315 ( -11.254 7.074 -4.012) 13.885 10.091 ( 14.083 -0.448 -8.066) 16.236 10.872 ( 24.232 -5.424 -2.460) 24.953 11.258 ( 6.673 -9.288 9.506) 14.871 12.323 ( 9.460 -2.097 0.398) 9.698 12.983 ( 13.390 0.859 0.126) 13.418 13.570 ( 7.982 -2.857 -18.387) 20.247 14.157 ( 12.802 -7.885 5.910) 16.156 15.334 ( -8.367 10.213 9.781) 16.431 15.575 ( -10.034 8.066 -2.795) 13.174 17.005 ( -18.232 3.474 -2.210) 18.691 36.959 ( 9.963 2.865 1.214) 10.438 37.315 ( 6.467 -2.843 -0.728) 7.102 39.884 ( -2.385 5.360 0.033) 5.866 40.420 ( -6.851 -3.511 -2.235) 8.015 53.618 ( -18.042 33.397 4.121) 38.182 55.384 ( -58.436 28.649 -6.943) 65.450 ======================= Grid point 215 (78/240) ======================= q-point: ( 0.33 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( 13.401 2.267 0.664) 13.608 3.090 ( 6.255 10.547 12.400) 17.439 3.569 ( -3.691 -3.773 -4.930) 7.222 4.195 ( -9.655 0.443 6.613) 11.711 5.585 ( 17.394 -9.225 5.128) 20.345 5.598 ( 18.345 -14.850 5.198) 24.168 7.673 ( -2.062 -9.771 -0.563) 10.002 8.115 ( -8.195 6.293 -0.249) 10.336 10.354 ( 11.752 2.393 -13.271) 17.888 11.304 ( 16.020 -7.409 2.161) 17.782 11.431 ( 12.047 -7.320 6.189) 15.395 12.451 ( 3.142 -2.409 0.138) 3.962 13.256 ( 13.570 3.674 -2.503) 14.280 13.744 ( 8.816 -0.364 -19.317) 21.237 14.406 ( 10.744 -2.688 2.906) 11.450 15.147 ( -9.693 8.478 8.818) 15.607 15.432 ( -3.477 7.877 1.725) 8.781 16.642 ( -17.667 2.350 -0.863) 17.844 37.155 ( 9.148 2.229 0.885) 9.457 37.430 ( 4.779 -2.258 -0.222) 5.290 39.854 ( -0.440 3.566 1.010) 3.732 40.277 ( -7.095 -3.200 -1.148) 7.868 53.296 ( -13.202 28.808 3.623) 31.896 54.380 ( -41.253 26.262 -2.514) 48.967 ======================= Grid point 216 (79/240) ======================= q-point: ( 0.40 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.029 ( 11.751 -3.670 2.968) 12.663 3.234 ( 8.394 4.873 7.926) 12.531 3.482 ( -4.875 -5.335 -2.223) 7.561 3.975 ( -11.670 -1.194 7.438) 13.891 5.864 ( 10.218 -13.747 4.167) 17.628 5.895 ( 10.657 -17.248 4.485) 20.765 7.640 ( -1.188 -7.110 -2.507) 7.632 7.988 ( -4.409 2.243 4.085) 6.415 10.559 ( 8.274 3.110 -18.141) 20.180 11.502 ( 6.459 -6.474 15.715) 18.182 11.732 ( 13.974 -4.791 -7.631) 16.627 12.463 ( -1.331 -3.881 1.354) 4.320 13.532 ( 13.493 6.487 -6.261) 16.228 13.903 ( 6.231 1.764 -19.417) 20.468 14.532 ( 0.321 4.609 1.524) 4.865 14.990 ( -4.359 6.072 9.646) 12.203 15.445 ( 4.876 4.638 4.065) 7.862 16.291 ( -16.937 1.525 0.529) 17.013 37.320 ( 7.005 1.440 0.330) 7.159 37.503 ( 2.275 -1.439 0.439) 2.727 39.867 ( 1.645 1.592 1.457) 2.713 40.138 ( -6.576 -2.592 -0.011) 7.068 53.101 ( -5.791 25.522 2.876) 26.328 53.695 ( -26.738 24.063 0.311) 35.972 ======================= Grid point 217 (80/240) ======================= q-point: ( 0.47 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.225 ( 7.704 -6.900 2.702) 10.689 3.368 ( -5.129 -6.806 0.453) 8.534 3.439 ( 9.638 0.717 5.077) 10.917 3.737 ( -10.969 -0.620 8.195) 13.707 6.000 ( 3.312 -16.860 3.578) 17.551 6.034 ( 3.253 -17.355 4.732) 18.281 7.625 ( -0.334 -4.196 -4.465) 6.137 7.932 ( -1.288 -1.957 7.205) 7.576 10.677 ( 3.086 2.731 -21.059) 21.458 11.593 ( 2.341 -3.918 18.666) 19.215 11.937 ( 5.560 -2.361 -13.478) 14.770 12.426 ( -1.566 -6.679 4.913) 8.438 13.775 ( 9.043 7.672 -10.602) 15.907 13.972 ( 0.269 4.327 -19.667) 20.140 14.459 ( -4.303 8.008 4.206) 10.016 14.961 ( -0.008 5.301 11.609) 12.762 15.615 ( 10.332 1.693 1.258) 10.546 15.970 ( -13.704 1.151 3.022) 14.080 37.428 ( 3.271 0.585 -0.665) 3.389 37.523 ( -0.019 -0.553 1.475) 1.576 39.920 ( 3.502 -0.195 1.288) 3.736 40.016 ( -5.219 -1.599 1.029) 5.554 53.069 ( 2.363 23.808 1.270) 23.958 53.289 ( -13.180 22.979 2.850) 26.643 ======================= Grid point 225 (81/240) ======================= q-point: ( 0.00 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 0.000 17.394 4.444) 17.953 2.630 ( 0.000 25.586 -9.733) 27.375 2.859 ( 0.000 -4.765 -0.387) 4.781 3.686 ( 0.000 -3.729 -9.276) 9.997 4.545 ( 0.000 22.894 20.418) 30.676 5.491 ( 0.000 8.910 18.200) 20.264 7.865 ( 0.000 -0.300 -2.381) 2.400 8.711 ( 0.000 -2.477 2.040) 3.209 9.011 ( 0.000 -15.102 -11.729) 19.122 9.332 ( 0.000 -2.866 -1.591) 3.278 10.993 ( 0.000 -3.324 10.315) 10.837 11.485 ( 0.000 3.930 2.228) 4.518 12.221 ( 0.000 -2.858 -2.122) 3.560 12.937 ( 0.000 -9.019 4.017) 9.873 13.474 ( 0.000 -7.557 8.214) 11.161 15.942 ( 0.000 8.527 -1.736) 8.702 16.251 ( 0.000 -1.047 -1.438) 1.779 18.198 ( 0.000 0.770 -10.300) 10.329 36.514 ( 0.000 3.645 1.010) 3.782 36.863 ( 0.000 -2.193 -1.104) 2.455 40.216 ( 0.000 3.225 -4.019) 5.153 40.677 ( 0.000 -3.228 -5.106) 6.040 55.855 ( 0.000 61.788 -3.787) 61.904 59.997 ( 0.000 -54.968 -38.911) 67.346 ======================= Grid point 226 (82/240) ======================= q-point: ( 0.07 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 16.326 17.391 3.383) 24.092 2.650 ( 3.396 23.646 -8.751) 25.441 3.071 ( 19.698 -4.473 -0.535) 20.207 3.661 ( -2.363 -3.687 -9.040) 10.045 4.527 ( -1.425 19.962 19.945) 28.254 5.430 ( -5.812 8.639 18.126) 20.904 7.822 ( -3.866 -1.562 -1.848) 4.561 8.760 ( 1.480 -4.825 -1.428) 5.245 9.040 ( 6.447 -10.622 -8.498) 15.053 9.492 ( 14.249 -2.958 -1.286) 14.609 10.989 ( -0.302 -3.258 9.609) 10.150 11.562 ( 7.440 2.608 2.308) 8.215 12.286 ( 6.351 -1.923 -1.754) 6.864 12.993 ( 5.173 -8.770 1.260) 10.260 13.487 ( 1.557 -7.605 9.364) 12.163 15.910 ( -3.060 8.555 -1.276) 9.175 16.206 ( -4.332 -0.534 -1.744) 4.700 18.094 ( -9.966 1.442 -9.540) 13.871 36.553 ( 3.822 3.590 1.068) 5.351 36.897 ( 3.268 -2.272 -1.026) 4.110 40.194 ( -2.113 3.526 -3.733) 5.553 40.652 ( -2.388 -3.270 -4.904) 6.360 55.718 ( -13.161 59.226 -3.328) 60.762 59.522 ( -44.516 -44.486 -34.552) 71.795 ======================= Grid point 227 (83/240) ======================= q-point: ( 0.13 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 3.622 21.814 -7.603) 23.383 2.916 ( 20.499 16.762 3.853) 26.759 3.576 ( 20.000 -2.054 -2.817) 20.301 3.610 ( 6.089 -6.109 -7.133) 11.193 4.512 ( 0.708 10.887 18.339) 21.339 5.275 ( -8.737 7.755 17.630) 21.149 7.729 ( -4.928 -3.845 -0.697) 6.289 8.700 ( -6.079 -6.423 -6.963) 11.255 9.319 ( 18.907 -5.127 -2.918) 19.806 9.856 ( 20.689 -1.971 -0.942) 20.804 10.990 ( 0.620 -3.508 8.515) 9.230 11.769 ( 12.352 -0.110 2.164) 12.540 12.471 ( 11.625 0.475 -1.173) 11.694 13.123 ( 6.943 -8.853 -5.803) 12.659 13.561 ( 6.489 -6.927 12.048) 15.337 15.821 ( -5.683 8.517 0.172) 10.240 16.081 ( -7.797 0.960 -2.609) 8.278 17.819 ( -16.492 2.595 -7.638) 18.360 36.664 ( 6.971 3.424 1.216) 7.861 36.990 ( 5.755 -2.416 -0.789) 6.292 40.135 ( -3.585 4.134 -2.948) 6.216 40.583 ( -4.438 -3.394 -4.329) 7.067 55.347 ( -22.661 52.452 -2.108) 57.177 58.351 ( -66.780 -22.901 -24.862) 74.848 ======================= Grid point 228 (84/240) ======================= q-point: ( 0.20 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 3.743 18.335 -8.811) 20.683 3.244 ( 9.013 18.956 10.501) 23.470 3.561 ( -0.148 -6.043 -9.085) 10.912 4.170 ( 25.648 -0.195 -1.600) 25.699 4.575 ( 5.778 -5.689 16.221) 18.135 5.127 ( -3.737 5.851 14.904) 16.442 7.633 ( -4.280 -5.314 0.537) 6.845 8.549 ( -8.420 -3.956 -6.540) 11.372 9.735 ( 21.091 -0.720 -2.921) 21.304 10.300 ( 22.624 -2.895 -1.143) 22.837 11.021 ( 2.653 -4.412 8.277) 9.747 12.034 ( 13.008 -2.316 1.955) 13.356 12.741 ( 14.631 3.122 -1.195) 15.007 13.263 ( 7.386 -9.526 -11.091) 16.380 13.763 ( 13.035 -4.775 11.161) 17.812 15.685 ( -7.584 8.208 2.514) 11.454 15.902 ( -9.596 3.134 -3.628) 10.727 17.453 ( -19.051 2.948 -5.316) 19.997 36.827 ( 8.930 3.137 1.393) 9.567 37.122 ( 6.979 -2.456 -0.407) 7.410 40.056 ( -4.046 4.455 -1.855) 6.297 40.477 ( -5.923 -3.535 -3.447) 7.711 54.840 ( -26.484 43.591 -0.504) 51.008 56.972 ( -66.606 -4.690 -15.232) 68.486 ======================= Grid point 229 (85/240) ======================= q-point: ( 0.27 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 5.668 12.734 -6.856) 15.533 3.301 ( -0.790 12.164 9.307) 15.336 3.566 ( -0.791 -0.420 -3.238) 3.360 4.378 ( -5.472 0.626 10.376) 11.747 4.859 ( 21.478 -14.324 5.631) 26.423 5.204 ( 10.477 -0.997 7.844) 13.126 7.562 ( -2.583 -5.294 1.488) 6.076 8.371 ( -8.975 -0.874 -4.165) 9.932 10.142 ( 18.518 4.839 -5.733) 19.980 10.754 ( 21.781 -6.077 -1.594) 22.669 11.105 ( 5.864 -5.792 9.352) 12.466 12.262 ( 8.848 -3.563 1.819) 9.711 13.045 ( 15.132 4.740 -2.291) 16.021 13.447 ( 10.999 -7.909 -13.177) 18.899 14.060 ( 15.622 -2.784 6.766) 17.250 15.518 ( -8.826 8.109 4.277) 12.726 15.709 ( -8.988 4.851 -2.980) 10.639 17.063 ( -19.268 2.330 -3.036) 19.644 37.016 ( 9.431 2.714 1.521) 9.930 37.264 ( 6.806 -2.286 0.093) 7.180 39.978 ( -3.469 4.097 -0.697) 5.413 40.348 ( -6.692 -3.548 -2.343) 7.928 54.313 ( -24.636 34.787 1.067) 42.640 55.729 ( -55.078 5.932 -7.970) 55.967 ======================= Grid point 230 (86/240) ======================= q-point: ( 0.33 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( 6.715 6.223 -3.171) 9.689 3.277 ( -0.849 4.648 6.326) 7.896 3.515 ( -3.834 1.905 1.335) 4.484 4.170 ( -12.554 -3.807 13.853) 19.079 5.266 ( 17.305 -13.263 2.454) 21.941 5.447 ( 11.582 -7.846 3.979) 14.544 7.535 ( -0.062 -3.670 1.724) 4.056 8.193 ( -8.460 1.393 -0.990) 8.631 10.466 ( 13.201 8.291 -10.329) 18.701 11.146 ( 14.912 -8.556 3.005) 17.453 11.282 ( 13.179 -6.829 6.250) 16.105 12.377 ( 2.466 -4.270 1.422) 5.131 13.355 ( 15.552 5.846 -4.332) 17.170 13.690 ( 12.101 -4.335 -14.579) 19.436 14.368 ( 14.153 -1.432 2.635) 14.468 15.331 ( -9.518 9.526 2.879) 13.770 15.560 ( -5.163 4.261 1.940) 6.970 16.678 ( -18.669 1.319 -0.863) 18.736 37.199 ( 8.469 2.149 1.523) 8.869 37.389 ( 5.366 -1.897 0.679) 5.732 39.921 ( -2.052 3.061 0.292) 3.696 40.211 ( -6.634 -3.268 -1.143) 7.483 53.872 ( -18.359 27.452 2.259) 33.102 54.760 ( -40.548 11.248 -2.991) 42.185 ======================= Grid point 231 (87/240) ======================= q-point: ( 0.40 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( 6.210 -0.327 1.384) 6.371 3.272 ( -0.264 -3.292 1.392) 3.584 3.439 ( -2.530 3.588 6.166) 7.569 3.914 ( -12.137 -5.029 12.924) 18.429 5.545 ( 10.228 -13.783 2.042) 17.284 5.635 ( 6.718 -11.482 2.685) 13.571 7.560 ( 2.467 -0.634 0.718) 2.646 8.033 ( -7.229 1.689 2.639) 7.879 10.675 ( 7.601 8.119 -14.044) 17.914 11.352 ( 7.269 -9.292 11.211) 16.275 11.611 ( 16.491 -5.844 -1.813) 17.589 12.369 ( -2.974 -4.770 1.569) 5.836 13.665 ( 14.489 6.391 -7.037) 17.329 13.905 ( 8.568 -1.299 -16.210) 18.381 14.598 ( 7.458 1.677 0.159) 7.646 15.150 ( -7.549 9.593 1.917) 12.357 15.524 ( 2.161 2.600 6.533) 7.356 16.310 ( -17.621 0.415 1.414) 17.683 37.350 ( 6.234 1.484 1.306) 6.540 37.475 ( 3.002 -1.352 1.349) 3.558 39.899 ( -0.100 1.597 0.914) 1.842 40.085 ( -5.728 -2.586 -0.022) 6.285 53.589 ( -9.205 22.158 2.786) 24.155 54.084 ( -26.447 14.002 0.366) 29.927 ======================= Grid point 232 (88/240) ======================= q-point: ( 0.47 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.099 ( 4.764 -5.110 3.010) 7.608 3.224 ( -3.981 -6.967 2.129) 8.302 3.464 ( 4.145 1.822 6.814) 8.182 3.699 ( -8.206 -3.215 11.429) 14.433 5.684 ( 3.667 -13.600 1.884) 14.211 5.718 ( 1.687 -13.593 2.490) 13.922 7.618 ( 2.396 3.184 -1.979) 4.449 7.914 ( -3.841 -0.306 6.713) 7.740 10.778 ( 2.528 7.042 -15.698) 17.390 11.454 ( 2.608 -10.484 11.948) 16.108 11.890 ( 9.438 -1.205 -5.215) 10.850 12.278 ( -4.692 -7.171 3.900) 9.416 13.905 ( 7.741 4.903 -10.719) 14.102 14.019 ( 2.382 0.620 -16.708) 16.888 14.656 ( -0.415 10.545 -0.448) 10.562 15.053 ( -1.992 3.867 4.623) 6.348 15.651 ( 9.335 1.781 5.109) 10.790 15.978 ( -14.122 -0.286 4.507) 14.827 37.444 ( 2.702 0.893 0.692) 2.929 37.509 ( 0.535 -0.828 2.210) 2.420 39.918 ( 1.949 0.034 0.989) 2.186 39.985 ( -3.999 -1.502 0.871) 4.360 53.507 ( 0.884 18.910 2.139) 19.051 53.685 ( -12.777 15.747 2.896) 20.484 ======================= Grid point 240 (89/240) ======================= q-point: ( 0.00 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 0.000 10.059 2.737) 10.425 2.747 ( 0.000 -5.637 0.678) 5.678 3.096 ( 0.000 20.970 -12.186) 24.253 3.468 ( 0.000 -15.608 -12.556) 20.032 4.936 ( 0.000 12.341 24.804) 27.704 5.588 ( 0.000 1.323 16.865) 16.917 7.869 ( 0.000 0.343 -2.701) 2.723 8.680 ( 0.000 -0.682 2.082) 2.191 8.787 ( 0.000 -6.306 -9.002) 10.991 9.288 ( 0.000 -1.296 -1.464) 1.955 10.950 ( 0.000 -1.061 10.221) 10.276 11.541 ( 0.000 1.545 1.810) 2.379 12.179 ( 0.000 -1.166 -1.926) 2.251 12.809 ( 0.000 -3.448 2.684) 4.369 13.369 ( 0.000 -2.764 10.484) 10.842 16.092 ( 0.000 6.462 -2.257) 6.845 16.199 ( 0.000 -4.037 -2.596) 4.800 18.212 ( 0.000 0.439 -10.347) 10.356 36.571 ( 0.000 1.714 0.717) 1.858 36.827 ( 0.000 -1.174 -0.831) 1.439 40.264 ( 0.000 1.352 -3.432) 3.689 40.628 ( 0.000 -1.409 -5.718) 5.889 57.107 ( 0.000 57.431 -12.125) 58.698 58.830 ( 0.000 -55.428 -26.741) 61.542 ======================= Grid point 241 (90/240) ======================= q-point: ( 0.07 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 17.115 9.361 2.363) 19.650 2.963 ( 19.480 -4.254 -0.043) 19.940 3.095 ( 0.838 19.447 -11.784) 22.754 3.452 ( -1.456 -15.028 -12.525) 19.617 4.865 ( -6.702 10.507 25.112) 28.034 5.531 ( -5.460 1.823 16.760) 17.721 7.805 ( -5.536 -0.282 -1.922) 5.867 8.667 ( -2.553 -3.405 -3.503) 5.512 8.904 ( 12.355 -3.018 -3.348) 13.151 9.451 ( 14.931 -1.075 -1.704) 15.066 10.946 ( -0.257 -1.033 9.819) 9.877 11.600 ( 5.690 0.975 1.787) 6.044 12.262 ( 8.081 -0.505 -1.815) 8.298 12.865 ( 5.107 -3.524 0.059) 6.205 13.382 ( 1.736 -2.708 11.844) 12.273 16.059 ( -3.287 6.193 -1.614) 7.195 16.163 ( -3.417 -3.591 -3.110) 5.852 18.116 ( -9.232 0.640 -9.786) 13.468 36.610 ( 3.747 1.695 0.795) 4.189 36.860 ( 3.195 -1.191 -0.726) 3.486 40.246 ( -1.746 1.458 -3.260) 3.975 40.603 ( -2.493 -1.452 -5.474) 6.188 56.906 ( -19.280 53.666 -11.088) 58.092 58.518 ( -29.688 -49.351 -24.555) 62.608 ======================= Grid point 242 (91/240) ======================= q-point: ( 0.13 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.958 ( 6.837 16.065 -6.339) 18.575 3.176 ( 13.699 7.551 -5.892) 16.715 3.405 ( 3.366 -9.901 -8.501) 13.477 3.524 ( 26.913 -4.019 -1.575) 27.257 4.687 ( -10.246 5.224 25.442) 27.921 5.382 ( -8.686 2.705 16.123) 18.513 7.679 ( -6.225 -1.142 -0.362) 6.339 8.583 ( -5.343 -3.856 -5.129) 8.350 9.257 ( 21.455 -1.412 -1.576) 21.559 9.830 ( 21.031 -0.634 -1.868) 21.124 10.946 ( 0.392 -1.023 9.087) 9.152 11.765 ( 10.348 -0.165 1.757) 10.498 12.492 ( 14.107 1.004 -1.811) 14.258 12.985 ( 5.924 -4.052 -6.190) 9.478 13.470 ( 7.709 -2.300 14.467) 16.553 15.960 ( -6.347 5.125 0.233) 8.161 16.067 ( -5.927 -2.025 -4.478) 7.700 17.856 ( -15.896 1.011 -8.270) 17.947 36.718 ( 6.814 1.637 1.008) 7.080 36.951 ( 5.700 -1.221 -0.426) 5.845 40.195 ( -3.158 1.709 -2.756) 4.526 40.530 ( -4.623 -1.580 -4.775) 6.831 56.368 ( -32.519 44.114 -8.380) 55.441 57.708 ( -47.943 -35.056 -19.141) 62.401 ======================= Grid point 243 (92/240) ======================= q-point: ( 0.20 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( 0.052 17.330 -11.477) 20.786 3.301 ( -1.634 -12.680 -12.350) 17.776 3.625 ( 15.420 10.420 5.475) 19.399 4.137 ( 29.637 -3.143 0.361) 29.805 4.474 ( -10.203 -2.959 23.878) 26.134 5.214 ( -6.600 2.383 13.728) 15.418 7.569 ( -4.438 -1.368 1.247) 4.809 8.461 ( -6.503 -3.256 -4.505) 8.555 9.736 ( 25.172 0.341 -2.302) 25.279 10.259 ( 20.643 -1.075 -1.775) 20.747 10.967 ( 1.875 -1.211 8.756) 9.036 11.996 ( 11.710 -1.106 1.986) 11.928 12.813 ( 16.989 2.994 -2.365) 17.413 13.103 ( 6.623 -5.279 -9.819) 12.966 13.701 ( 14.540 -1.540 12.582) 19.290 15.810 ( -8.221 3.831 2.519) 9.413 15.929 ( -7.570 -0.002 -5.674) 9.461 17.496 ( -19.172 1.148 -6.146) 20.166 36.877 ( 8.675 1.528 1.307) 8.905 37.083 ( 7.037 -1.216 0.025) 7.141 40.122 ( -3.935 1.932 -1.973) 4.807 40.420 ( -6.085 -1.753 -3.707) 7.338 55.649 ( -37.032 32.549 -4.907) 49.547 56.675 ( -51.943 -19.864 -12.761) 57.057 ======================= Grid point 244 (93/240) ======================= q-point: ( 0.27 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.995 ( 0.437 13.692 -10.468) 17.240 3.252 ( -2.571 -10.910 -10.064) 15.064 3.798 ( 0.843 16.334 12.739) 20.731 4.251 ( -10.708 -12.706 21.719) 27.346 4.702 ( 23.966 -1.394 -0.510) 24.012 5.172 ( 3.129 -1.465 8.064) 8.773 7.507 ( -1.539 -0.850 2.586) 3.127 8.326 ( -6.737 -2.154 -3.185) 7.757 10.244 ( 24.044 3.980 -4.577) 24.797 10.646 ( 17.382 -3.814 -1.793) 17.885 11.030 ( 4.708 -1.786 9.440) 10.699 12.204 ( 8.017 -1.765 2.275) 8.519 13.153 ( 16.170 5.677 -4.509) 17.721 13.295 ( 12.889 -6.755 -10.368) 17.868 14.024 ( 16.531 -0.954 7.668) 18.248 15.642 ( -7.905 3.746 4.597) 9.883 15.764 ( -8.687 0.900 -5.681) 10.418 17.096 ( -19.950 0.911 -3.676) 20.306 37.059 ( 9.062 1.354 1.625) 9.305 37.227 ( 7.019 -1.137 0.564) 7.133 40.042 ( -3.880 1.940 -1.027) 4.458 40.289 ( -6.663 -1.867 -2.418) 7.330 54.922 ( -33.677 22.266 -1.550) 40.402 55.672 ( -45.968 -8.276 -7.039) 47.234 ======================= Grid point 245 (94/240) ======================= q-point: ( 0.33 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.005 ( 0.444 8.259 -7.090) 10.893 3.206 ( -1.914 -7.681 -6.139) 10.017 3.715 ( -6.987 13.963 15.447) 21.963 4.012 ( -12.424 -11.639 19.313) 25.745 5.111 ( 16.355 -2.506 -0.208) 16.547 5.304 ( 8.152 -5.138 3.279) 10.179 7.511 ( 1.972 0.258 3.365) 3.909 8.189 ( -6.845 -0.882 -1.446) 7.052 10.657 ( 15.382 9.473 -7.666) 19.624 10.955 ( 12.460 -9.488 -1.586) 15.742 11.191 ( 12.546 -2.178 10.176) 16.300 12.308 ( 2.315 -2.030 1.985) 3.663 13.475 ( 15.894 5.975 -7.641) 18.620 13.591 ( 14.848 -5.407 -10.467) 18.954 14.346 ( 14.814 -0.694 3.044) 15.139 15.499 ( -6.695 6.545 3.214) 9.899 15.591 ( -7.356 -1.156 -1.114) 7.529 16.696 ( -19.491 0.440 -0.946) 19.519 37.234 ( 7.997 1.110 1.888) 8.292 37.358 ( 5.717 -0.973 1.130) 5.908 39.971 ( -2.958 1.623 -0.099) 3.375 40.157 ( -6.261 -1.783 -1.105) 6.603 54.321 ( -24.951 14.846 1.095) 29.054 54.844 ( -35.417 -1.072 -2.573) 35.526 ======================= Grid point 246 (95/240) ======================= q-point: ( 0.40 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.012 ( 0.462 2.236 -1.304) 2.630 3.171 ( -1.981 -4.638 -1.733) 5.333 3.575 ( -5.691 8.291 13.196) 16.591 3.777 ( -10.169 -8.114 16.229) 20.800 5.368 ( 9.248 -3.755 0.174) 9.983 5.450 ( 5.595 -5.933 1.454) 8.283 7.585 ( 5.219 1.727 3.303) 6.413 8.046 ( -7.276 -0.085 0.589) 7.300 10.869 ( 6.627 10.655 -7.936) 14.847 11.132 ( 5.641 -11.713 0.787) 13.025 11.532 ( 18.937 -1.951 5.723) 19.879 12.298 ( -3.386 -1.945 1.788) 4.295 13.777 ( 13.062 4.799 -9.261) 16.716 13.859 ( 11.038 -3.199 -13.423) 17.670 14.613 ( 11.597 0.198 0.487) 11.608 15.323 ( -10.506 5.996 -3.726) 12.657 15.540 ( 2.653 -0.597 8.908) 9.314 16.312 ( -18.283 -0.046 2.058) 18.398 37.375 ( 5.748 0.831 2.018) 6.149 37.452 ( 3.402 -0.761 1.662) 3.862 39.927 ( -1.309 0.994 0.601) 1.750 40.042 ( -4.957 -1.405 0.008) 5.152 53.930 ( -13.430 10.254 2.694) 17.111 54.246 ( -23.535 2.876 0.604) 23.718 ======================= Grid point 247 (96/240) ======================= q-point: ( 0.47 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( 2.137 -1.157 3.310) 4.106 3.112 ( -3.537 -3.604 3.416) 6.097 3.517 ( -0.050 3.414 9.858) 10.433 3.617 ( -5.190 -4.401 12.349) 14.099 5.495 ( 3.545 -4.779 0.510) 5.972 5.519 ( 1.208 -5.611 0.858) 5.804 7.709 ( 6.221 4.156 1.884) 7.715 7.899 ( -6.697 -1.180 3.091) 7.470 10.954 ( 2.068 10.625 -7.765) 13.321 11.203 ( 1.639 -13.279 1.460) 13.459 11.888 ( 14.931 0.376 2.569) 15.155 12.170 ( -8.910 -3.050 2.582) 9.765 13.973 ( 5.647 2.164 -11.626) 13.105 14.011 ( 3.497 -0.992 -14.814) 15.253 14.827 ( 9.510 5.295 -0.843) 10.918 15.103 ( -10.138 1.038 -1.817) 10.352 15.680 ( 10.552 0.944 8.217) 13.407 15.965 ( -15.489 -0.636 5.395) 16.415 37.461 ( 2.580 0.738 1.878) 3.275 37.492 ( 0.625 -0.708 2.176) 2.372 39.921 ( 0.769 0.199 0.885) 1.189 39.960 ( -2.985 -0.766 0.737) 3.168 53.783 ( -1.174 7.728 3.030) 8.383 53.893 ( -11.207 4.966 2.654) 12.542 ======================= Grid point 330 (97/240) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 0.000 0.000 25.998) 25.998 1.603 ( 0.000 0.000 34.210) 34.210 2.444 ( 0.000 0.000 48.217) 48.217 2.900 ( 0.000 0.000 -6.461) 6.461 3.779 ( 0.000 0.000 -0.334) 0.334 4.946 ( 0.000 0.000 3.398) 3.398 7.982 ( 0.000 0.000 12.603) 12.603 9.074 ( 0.000 0.000 1.185) 1.185 9.360 ( 0.000 0.000 -2.554) 2.554 9.896 ( 0.000 0.000 -16.628) 16.628 11.338 ( 0.000 0.000 8.247) 8.247 11.520 ( 0.000 0.000 9.390) 9.390 12.319 ( 0.000 0.000 -5.740) 5.740 12.809 ( 0.000 0.000 -12.063) 12.063 14.197 ( 0.000 0.000 6.080) 6.080 15.354 ( 0.000 0.000 -10.587) 10.587 16.949 ( 0.000 0.000 5.631) 5.631 17.384 ( 0.000 0.000 0.825) 0.825 36.357 ( 0.000 0.000 3.869) 3.869 36.909 ( 0.000 0.000 -3.829) 3.829 39.509 ( 0.000 0.000 8.343) 8.343 40.826 ( 0.000 0.000 -9.335) 9.335 54.730 ( 0.000 0.000 10.121) 10.121 56.537 ( 0.000 0.000 -15.664) 15.664 ======================= Grid point 331 (98/240) ======================= q-point: ( 0.07 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 25.600 0.000 22.242) 33.913 1.656 ( 5.726 0.000 31.525) 32.041 2.587 ( 15.450 0.000 41.258) 44.056 3.141 ( 21.887 0.000 -6.839) 22.930 3.780 ( 0.921 0.000 1.565) 1.816 4.948 ( 0.578 0.000 4.317) 4.355 7.928 ( -4.609 0.000 11.940) 12.798 8.882 ( -17.417 0.000 6.808) 18.700 9.515 ( 14.288 0.000 -2.461) 14.499 9.851 ( 1.384 0.000 -8.132) 8.249 11.235 ( -0.619 0.000 3.991) 4.039 11.954 ( 26.052 0.000 -3.412) 26.274 12.305 ( -1.375 0.000 -8.919) 9.024 12.841 ( 3.094 0.000 -9.266) 9.769 14.276 ( 7.294 0.000 5.171) 8.942 15.325 ( -2.854 0.000 -9.846) 10.251 16.738 ( -18.493 0.000 13.126) 22.678 17.335 ( -4.779 0.000 0.450) 4.801 36.396 ( 3.809 0.000 3.682) 5.298 36.973 ( 5.672 0.000 -5.598) 7.969 39.522 ( 1.319 0.000 8.247) 8.352 40.790 ( -3.306 0.000 -8.350) 8.981 54.620 ( -10.603 0.000 9.316) 14.114 55.792 ( -61.013 0.000 11.683) 62.121 ======================= Grid point 332 (99/240) ======================= q-point: ( 0.13 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 13.545 0.000 25.222) 28.629 1.966 ( 18.370 0.000 24.321) 30.479 3.064 ( 27.142 0.000 18.173) 32.664 3.665 ( 26.187 0.000 -9.037) 27.703 3.885 ( 12.652 0.000 9.834) 16.024 5.005 ( 6.634 0.000 7.432) 9.962 7.827 ( -4.787 0.000 10.667) 11.692 8.517 ( -15.965 0.000 9.336) 18.495 9.883 ( 20.654 0.000 -3.296) 20.916 9.988 ( 10.022 0.000 -7.426) 12.473 11.307 ( 7.286 0.000 1.851) 7.517 12.267 ( -2.180 0.000 -14.030) 14.198 12.387 ( 16.266 0.000 -11.649) 20.007 12.930 ( 5.585 0.000 -4.913) 7.438 14.463 ( 10.392 0.000 3.940) 11.113 15.242 ( -5.240 0.000 -7.638) 9.262 16.309 ( -21.871 0.000 21.335) 30.554 17.195 ( -8.957 0.000 -0.551) 8.974 36.507 ( 7.001 0.000 3.127) 7.667 37.107 ( 6.986 0.000 -7.184) 10.021 39.561 ( 2.502 0.000 7.969) 8.352 40.705 ( -4.919 0.000 -6.856) 8.438 54.315 ( -18.997 0.000 7.243) 20.331 54.549 ( -55.629 0.000 30.626) 63.502 ======================= Grid point 333 (100/240) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 19.345 0.000 18.295) 26.626 2.297 ( 15.455 0.000 22.441) 27.248 3.449 ( 10.441 0.000 -0.093) 10.441 4.054 ( 10.291 0.000 -10.436) 14.657 4.414 ( 37.470 0.000 19.099) 42.057 5.295 ( 22.725 0.000 10.046) 24.847 7.749 ( -2.669 0.000 9.074) 9.459 8.268 ( -8.865 0.000 4.043) 9.743 10.190 ( 9.000 0.000 -10.586) 13.895 10.300 ( 19.454 0.000 -6.498) 20.511 11.519 ( 13.263 0.000 3.569) 13.735 12.227 ( -1.482 0.000 -14.848) 14.921 12.638 ( 9.464 0.000 -13.067) 16.135 13.059 ( 6.921 0.000 -3.976) 7.982 14.671 ( 9.828 0.000 4.268) 10.715 15.119 ( -6.697 0.000 -4.020) 7.811 15.894 ( -18.755 0.000 22.199) 29.061 16.980 ( -12.108 0.000 -1.841) 12.247 36.672 ( 9.105 0.000 2.233) 9.374 37.244 ( 6.369 0.000 -7.068) 9.514 39.622 ( 3.459 0.000 7.524) 8.281 40.597 ( -5.690 0.000 -5.575) 7.966 53.604 ( -38.330 0.000 26.499) 46.598 53.876 ( -23.734 0.000 4.690) 24.193 ======================= Grid point 334 (101/240) ======================= q-point: ( 0.27 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 20.863 0.000 12.573) 24.359 2.608 ( 15.323 0.000 17.643) 23.368 3.592 ( 5.234 0.000 -1.244) 5.379 4.117 ( -2.058 0.000 -7.339) 7.622 5.226 ( 40.003 0.000 16.639) 43.325 5.845 ( 28.750 0.000 8.747) 30.051 7.725 ( 0.415 0.000 6.995) 7.008 8.139 ( -4.288 0.000 -2.017) 4.739 10.340 ( 5.904 0.000 -13.817) 15.026 10.631 ( 12.444 0.000 -13.025) 18.013 11.818 ( 15.417 0.000 5.592) 16.400 12.222 ( 1.227 0.000 -9.248) 9.329 12.801 ( 7.179 0.000 -12.989) 14.841 13.200 ( 6.711 0.000 -6.986) 9.687 14.855 ( 8.159 0.000 6.288) 10.301 14.980 ( -6.722 0.000 0.810) 6.770 15.559 ( -14.017 0.000 18.180) 22.956 16.713 ( -14.059 0.000 -2.985) 14.373 36.867 ( 9.889 0.000 1.064) 9.947 37.360 ( 5.000 0.000 -6.371) 8.098 39.699 ( 4.171 0.000 6.912) 8.073 40.477 ( -6.111 0.000 -4.096) 7.357 52.961 ( -25.969 0.000 17.998) 31.596 53.382 ( -24.408 0.000 2.447) 24.530 ======================= Grid point 335 (102/240) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( 14.639 0.000 13.083) 19.633 3.009 ( 18.560 0.000 8.271) 20.319 3.679 ( 3.404 0.000 -0.205) 3.410 4.024 ( -6.399 0.000 -3.778) 7.432 5.972 ( 32.734 0.000 13.582) 35.440 6.377 ( 22.567 0.000 7.563) 23.800 7.768 ( 3.751 0.000 4.458) 5.826 8.078 ( -2.099 0.000 -5.968) 6.326 10.440 ( 4.361 0.000 -16.464) 17.032 10.792 ( 3.600 0.000 -20.709) 21.020 12.111 ( 12.948 0.000 6.651) 14.556 12.278 ( 4.118 0.000 -0.380) 4.136 12.942 ( 6.866 0.000 -12.767) 14.497 13.316 ( 4.379 0.000 -11.816) 12.602 14.860 ( -4.817 0.000 6.210) 7.859 14.986 ( 3.670 0.000 11.993) 12.542 15.349 ( -5.490 0.000 8.963) 10.511 16.418 ( -14.853 0.000 -3.588) 15.280 37.064 ( 9.372 0.000 -0.271) 9.376 37.442 ( 2.955 0.000 -5.615) 6.345 39.789 ( 4.682 0.000 6.097) 7.687 40.351 ( -6.214 0.000 -2.266) 6.614 52.532 ( -16.670 0.000 11.074) 20.013 52.912 ( -21.453 0.000 1.014) 21.477 ======================= Grid point 336 (103/240) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.196 ( 13.195 0.000 9.157) 16.061 3.339 ( 13.726 0.000 5.067) 14.631 3.724 ( 0.803 0.000 0.935) 1.232 3.874 ( -8.279 0.000 -0.290) 8.284 6.525 ( 21.444 0.000 10.721) 23.975 6.735 ( 12.617 0.000 6.770) 14.318 7.865 ( 5.320 0.000 1.785) 5.612 8.045 ( -1.356 0.000 -6.722) 6.857 10.527 ( 4.354 0.000 -19.160) 19.649 10.797 ( -2.357 0.000 -24.817) 24.929 12.326 ( 8.047 0.000 7.222) 10.813 12.370 ( 4.396 0.000 5.812) 7.288 13.080 ( 6.704 0.000 -13.033) 14.656 13.363 ( -0.003 0.000 -15.372) 15.372 14.797 ( -1.278 0.000 10.701) 10.777 14.966 ( -4.343 0.000 16.984) 17.530 15.379 ( 7.208 0.000 0.017) 7.208 16.118 ( -14.634 0.000 -3.448) 15.034 37.239 ( 7.761 0.000 -1.634) 7.931 37.476 ( 0.344 0.000 -4.842) 4.854 39.888 ( 5.068 0.000 5.008) 7.125 40.227 ( -6.051 0.000 -0.219) 6.055 52.280 ( -8.229 0.000 6.245) 10.330 52.532 ( -15.764 0.000 0.602) 15.775 ======================= Grid point 337 (104/240) ======================= q-point: ( 0.47 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.443 ( 10.926 0.000 5.370) 12.175 3.547 ( 5.357 0.000 2.359) 5.853 3.704 ( -6.995 0.000 3.608) 7.870 3.706 ( -2.569 0.000 2.431) 3.537 6.830 ( 8.731 0.000 8.015) 11.852 6.889 ( 2.590 0.000 6.566) 7.058 7.961 ( 3.769 0.000 -1.089) 3.923 8.015 ( -1.781 0.000 -4.437) 4.782 10.621 ( 4.914 0.000 -22.145) 22.683 10.721 ( -4.732 0.000 -24.624) 25.074 12.434 ( 2.601 0.000 7.895) 8.313 12.438 ( 1.920 0.000 7.987) 8.215 13.211 ( 6.098 0.000 -14.336) 15.579 13.318 ( -4.129 0.000 -15.815) 16.345 14.807 ( 2.084 0.000 13.240) 13.403 14.873 ( -4.201 0.000 15.042) 15.618 15.576 ( 11.513 0.000 -1.554) 11.618 15.832 ( -13.533 0.000 -2.651) 13.790 37.373 ( 5.371 0.000 -2.891) 6.100 37.454 ( -2.550 0.000 -3.960) 4.710 39.994 ( 5.408 0.000 3.577) 6.484 40.107 ( -5.746 0.000 1.799) 6.021 52.199 ( 0.150 0.000 3.095) 3.098 52.285 ( -8.357 0.000 1.273) 8.454 ======================= Grid point 345 (105/240) ======================= q-point: ( 0.00 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 0.000 12.095 22.643) 25.671 1.555 ( 0.000 0.241 31.776) 31.777 2.777 ( 0.000 27.228 40.353) 48.679 2.900 ( 0.000 0.048 -6.051) 6.051 3.835 ( 0.000 5.765 -0.438) 5.782 5.047 ( 0.000 9.566 5.261) 10.917 7.959 ( 0.000 -2.045 8.985) 9.215 9.028 ( 0.000 -4.064 1.722) 4.414 9.369 ( 0.000 0.548 -2.854) 2.906 9.720 ( 0.000 -15.457 -16.520) 22.624 11.357 ( 0.000 1.928 7.852) 8.085 11.483 ( 0.000 -2.716 11.014) 11.344 12.305 ( 0.000 -1.417 -5.600) 5.776 12.992 ( 0.000 12.626 -16.702) 20.937 14.146 ( 0.000 -4.810 7.580) 8.977 15.423 ( 0.000 6.065 -9.718) 11.456 16.635 ( 0.000 -17.634 16.048) 23.843 17.659 ( 0.000 14.537 -10.518) 17.943 36.373 ( 0.000 1.547 3.713) 4.022 36.904 ( 0.000 -0.527 -3.692) 3.729 39.656 ( 0.000 11.681 1.468) 11.773 40.791 ( 0.000 -3.277 -8.662) 9.261 54.305 ( 0.000 -15.245 25.928) 30.077 57.842 ( 0.000 86.462 -67.055) 109.417 ======================= Grid point 346 (106/240) ======================= q-point: ( 0.07 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 13.118 5.122 24.350) 28.129 1.665 ( 19.526 6.045 24.147) 31.637 2.856 ( 9.494 21.789 33.195) 40.827 3.149 ( 21.960 1.252 -4.977) 22.552 3.845 ( 1.681 6.549 1.942) 7.035 5.040 ( -0.322 8.778 6.148) 10.722 7.919 ( -3.314 -1.015 7.692) 8.437 8.908 ( -13.427 1.291 3.375) 13.905 9.473 ( 11.663 -4.617 -3.674) 13.070 9.753 ( 5.561 -8.486 -8.683) 13.354 11.246 ( -1.668 1.342 5.310) 5.726 11.802 ( 18.481 -9.334 4.008) 21.089 12.346 ( 4.440 0.717 -7.669) 8.891 12.993 ( -0.004 10.889 -15.305) 18.784 14.212 ( 6.145 -5.952 6.685) 10.857 15.394 ( -2.741 6.153 -8.986) 11.230 16.509 ( -11.824 -14.116 18.008) 25.755 17.553 ( -9.385 13.324 -7.331) 17.870 36.413 ( 3.852 1.587 3.550) 5.473 36.958 ( 4.989 -1.252 -4.678) 6.953 39.653 ( -0.166 10.645 2.538) 10.945 40.759 ( -2.918 -2.891 -8.008) 9.000 54.187 ( -11.412 -13.648 25.454) 31.055 57.082 ( -64.133 85.503 -38.058) 113.455 ======================= Grid point 347 (107/240) ======================= q-point: ( 0.13 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 13.544 0.154 22.865) 26.576 2.137 ( 19.853 12.777 21.104) 31.666 3.176 ( 19.391 9.726 14.313) 25.989 3.666 ( 25.171 -0.139 -8.930) 26.709 3.978 ( 14.957 9.205 11.766) 21.140 5.069 ( 4.658 6.274 8.826) 11.788 7.853 ( -2.774 1.555 5.237) 6.127 8.574 ( -16.748 4.487 5.635) 18.232 9.775 ( 14.790 -9.514 -5.722) 18.493 9.973 ( 16.300 -1.613 -4.328) 16.942 11.302 ( 6.721 -0.357 2.542) 7.195 12.079 ( 8.205 -10.084 -2.457) 13.230 12.505 ( 11.000 3.179 -12.254) 16.771 12.993 ( 0.131 5.674 -11.024) 12.399 14.373 ( 9.071 -8.321 4.987) 13.281 15.317 ( -4.724 6.614 -6.872) 10.644 16.202 ( -17.270 -7.443 20.930) 28.137 17.326 ( -12.427 9.719 -3.915) 16.255 36.524 ( 7.040 1.667 3.070) 7.859 37.083 ( 6.864 -2.013 -5.817) 9.220 39.657 ( 0.671 8.189 4.344) 9.295 40.681 ( -4.605 -2.254 -6.839) 8.547 53.862 ( -19.933 -8.492 23.801) 32.186 55.715 ( -63.752 71.960 -7.480) 96.429 ======================= Grid point 348 (108/240) ======================= q-point: ( 0.20 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 18.528 -1.437 17.004) 25.189 2.469 ( 14.381 13.189 20.874) 28.574 3.467 ( 8.527 1.604 -1.172) 8.756 4.056 ( 12.100 0.321 -9.236) 15.225 4.511 ( 34.686 8.822 17.666) 39.913 5.305 ( 19.642 0.858 11.000) 22.528 7.813 ( -1.158 4.639 3.491) 5.920 8.282 ( -11.773 1.488 3.437) 12.354 10.009 ( 8.842 -11.663 -8.715) 17.034 10.372 ( 20.950 2.194 -5.888) 21.872 11.501 ( 12.353 -2.054 3.450) 12.989 12.180 ( 3.150 -3.018 -6.609) 7.919 12.733 ( 10.019 6.371 -16.692) 20.484 13.017 ( 3.124 -2.662 -4.886) 6.382 14.554 ( 8.396 -10.300 3.968) 13.868 15.214 ( -5.085 7.879 -3.649) 10.062 15.850 ( -16.801 -2.950 21.224) 27.229 17.059 ( -13.844 6.505 -3.107) 15.608 36.690 ( 9.113 1.720 2.287) 9.552 37.223 ( 6.687 -1.863 -5.920) 9.123 39.683 ( 1.937 5.492 5.435) 7.966 40.578 ( -5.509 -1.814 -5.616) 8.073 53.417 ( -22.979 -0.757 20.245) 30.634 54.600 ( -46.748 50.600 0.229) 68.890 ======================= Grid point 349 (109/240) ======================= q-point: ( 0.27 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 19.737 -2.483 12.497) 23.492 2.753 ( 13.979 9.635 16.697) 23.813 3.584 ( 4.148 -0.838 -2.094) 4.722 4.150 ( -1.083 3.152 -6.541) 7.341 5.260 ( 36.984 3.038 15.571) 40.243 5.805 ( 26.990 -4.250 9.376) 28.887 7.803 ( 0.004 6.649 3.328) 7.436 8.100 ( -6.303 -3.705 -1.520) 7.468 10.152 ( 5.556 -12.016 -11.892) 17.796 10.756 ( 15.963 6.587 -11.206) 20.586 11.770 ( 13.323 -4.798 5.683) 15.259 12.241 ( 3.483 2.206 -6.407) 7.619 12.881 ( 5.176 7.131 -15.609) 17.924 13.141 ( 8.398 -5.200 -5.745) 11.427 14.693 ( 4.693 -11.009 4.098) 12.649 15.132 ( -2.290 9.471 0.099) 9.745 15.539 ( -13.593 -1.020 19.148) 23.504 16.767 ( -14.886 4.681 -3.292) 15.948 36.884 ( 9.844 1.693 1.242) 10.066 37.347 ( 5.460 -1.175 -5.454) 7.807 39.734 ( 3.055 3.212 5.721) 7.238 40.461 ( -5.997 -1.542 -4.119) 7.437 52.970 ( -20.454 5.727 15.050) 26.032 53.784 ( -34.736 33.344 0.514) 48.152 ======================= Grid point 350 (110/240) ======================= q-point: ( 0.33 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( 17.210 -1.058 10.043) 19.954 3.038 ( 14.114 3.776 11.124) 18.363 3.650 ( 2.348 -2.747 -0.868) 3.716 4.071 ( -5.969 4.250 -2.996) 7.916 5.948 ( 30.051 -2.435 12.783) 32.747 6.311 ( 21.702 -6.889 7.984) 24.129 7.812 ( 0.961 4.060 3.000) 5.139 8.021 ( -1.772 -5.435 -5.400) 7.864 10.247 ( 4.050 -11.634 -15.054) 19.452 10.993 ( 7.242 12.403 -18.456) 23.386 12.007 ( 9.635 -7.928 7.893) 14.764 12.342 ( 6.587 4.247 -1.710) 8.021 12.984 ( 5.482 3.821 -12.613) 14.274 13.306 ( 6.889 -0.712 -11.260) 13.219 14.730 ( -0.721 -8.069 6.596) 10.447 15.130 ( 0.602 8.040 5.038) 9.507 15.326 ( -5.781 -0.540 13.194) 14.415 16.461 ( -15.274 3.741 -3.372) 16.083 37.080 ( 9.237 1.532 0.020) 9.364 37.439 ( 3.446 -0.301 -4.809) 5.924 39.805 ( 3.909 1.495 5.422) 6.850 40.338 ( -6.120 -1.343 -2.276) 6.667 52.611 ( -14.701 9.250 9.906) 19.995 53.171 ( -26.073 23.180 0.226) 34.888 ======================= Grid point 351 (111/240) ======================= q-point: ( 0.40 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.218 ( 13.281 1.775 8.445) 15.839 3.314 ( 12.632 -2.015 5.808) 14.049 3.673 ( -0.249 -4.217 0.594) 4.265 3.928 ( -7.854 4.435 0.375) 9.027 6.452 ( 19.371 -7.009 10.429) 23.089 6.655 ( 11.952 -8.298 7.277) 16.269 7.841 ( 1.722 -2.973 0.225) 3.443 8.015 ( 0.775 -2.127 -4.840) 5.343 10.320 ( 3.155 -11.105 -18.094) 21.463 11.065 ( 0.654 16.866 -23.311) 28.780 12.160 ( 5.662 -9.082 9.873) 14.561 12.486 ( 6.786 4.298 2.492) 8.410 13.106 ( 6.528 2.911 -12.550) 14.443 13.393 ( 1.420 2.740 -14.746) 15.065 14.698 ( -1.609 -5.972 10.575) 12.251 15.072 ( -4.547 5.633 12.777) 14.686 15.371 ( 7.899 0.646 2.138) 8.209 16.155 ( -14.783 3.281 -2.844) 15.407 37.250 ( 7.443 1.139 -1.271) 7.636 37.483 ( 0.896 0.650 -4.056) 4.204 39.891 ( 4.558 0.291 4.637) 6.509 40.215 ( -5.933 -1.138 -0.243) 6.046 52.384 ( -7.505 10.879 5.794) 14.430 52.726 ( -17.755 18.012 0.570) 25.299 ======================= Grid point 352 (112/240) ======================= q-point: ( 0.47 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.451 ( 9.440 0.501 5.201) 10.790 3.522 ( 6.353 -2.325 2.192) 7.111 3.639 ( -2.188 -3.812 2.952) 5.295 3.766 ( -7.442 3.367 3.898) 9.051 6.728 ( 8.049 -9.473 8.203) 14.894 6.795 ( 2.059 -9.516 7.363) 12.207 7.871 ( 0.919 -7.658 -2.182) 8.015 8.034 ( 0.753 0.760 -2.785) 2.983 10.368 ( 1.363 -10.958 -20.341) 23.145 11.056 ( -0.677 18.912 -24.493) 30.952 12.238 ( 1.971 -8.988 10.806) 14.193 12.587 ( 2.731 4.250 4.276) 6.619 13.240 ( 6.184 3.585 -13.456) 15.237 13.365 ( -3.717 4.000 -15.771) 16.690 14.678 ( -0.419 -6.532 12.854) 14.425 15.005 ( -1.748 6.505 12.417) 14.126 15.565 ( 10.014 -0.141 -0.884) 10.054 15.875 ( -12.004 3.731 -1.402) 12.648 37.372 ( 4.102 0.158 -2.564) 4.840 37.477 ( -1.199 1.933 -3.095) 3.841 39.989 ( 5.000 -0.542 3.376) 6.057 40.099 ( -5.466 -0.797 1.735) 5.790 52.306 ( -0.608 11.417 2.697) 11.747 52.460 ( -7.969 15.987 1.822) 17.955 ======================= Grid point 360 (113/240) ======================= q-point: ( 0.00 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 0.000 17.487 16.511) 24.050 1.706 ( 0.000 14.378 18.893) 23.742 2.899 ( 0.000 -0.266 -4.903) 4.910 3.315 ( 0.000 21.639 18.222) 28.289 4.033 ( 0.000 15.943 9.510) 18.564 5.305 ( 0.000 15.640 11.061) 19.156 7.910 ( 0.000 -2.736 3.778) 4.665 8.932 ( 0.000 -5.105 2.712) 5.781 9.362 ( 0.000 -19.018 -17.756) 26.019 9.368 ( 0.000 -0.838 -3.250) 3.357 11.411 ( 0.000 3.309 6.806) 7.568 11.423 ( 0.000 -3.413 12.897) 13.341 12.265 ( 0.000 -2.480 -5.205) 5.765 13.152 ( 0.000 2.340 -14.759) 14.943 14.022 ( 0.000 -7.163 11.267) 13.351 15.562 ( 0.000 7.285 -7.810) 10.680 16.394 ( 0.000 -6.877 14.570) 16.112 17.848 ( 0.000 5.010 -14.361) 15.210 36.417 ( 0.000 2.756 3.273) 4.279 36.888 ( 0.000 -1.044 -3.302) 3.463 39.873 ( 0.000 9.114 -3.810) 9.878 40.710 ( 0.000 -4.560 -8.135) 9.326 54.344 ( 0.000 17.012 22.117) 27.903 59.143 ( 0.000 38.701 -88.263) 96.375 ======================= Grid point 361 (114/240) ======================= q-point: ( 0.07 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 5.123 12.638 18.192) 22.736 1.908 ( 24.432 15.608 14.585) 32.454 3.104 ( 17.779 1.023 -2.768) 18.022 3.347 ( 4.361 16.076 11.172) 20.056 4.064 ( 3.806 16.926 12.408) 21.329 5.279 ( -2.211 14.563 11.465) 18.666 7.886 ( -1.811 -2.211 2.567) 3.841 8.890 ( -8.425 -3.425 -2.178) 9.352 9.304 ( 7.418 -11.758 -7.752) 15.917 9.602 ( 13.533 -5.425 -5.377) 15.540 11.282 ( -3.083 1.609 7.685) 8.435 11.663 ( 13.442 -4.514 8.561) 16.564 12.324 ( 5.810 -2.281 -5.694) 8.449 13.138 ( -1.393 2.535 -14.931) 15.209 14.062 ( 3.879 -8.342 10.525) 13.979 15.536 ( -2.473 7.432 -7.341) 10.735 16.313 ( -7.703 -5.460 14.976) 17.704 17.742 ( -9.804 5.639 -12.012) 16.498 36.457 ( 3.922 2.787 3.183) 5.769 36.931 ( 4.052 -1.469 -3.547) 5.582 39.858 ( -1.341 8.909 -2.679) 9.399 40.685 ( -2.314 -4.274 -7.789) 9.181 54.247 ( -9.330 17.394 21.260) 29.010 58.459 ( -61.079 46.263 -67.661) 102.220 ======================= Grid point 362 (115/240) ======================= q-point: ( 0.13 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 10.490 8.909 15.387) 20.644 2.427 ( 22.915 15.766 15.592) 31.887 3.371 ( 7.497 8.030 3.540) 11.542 3.649 ( 23.344 -1.712 -8.413) 24.873 4.245 ( 15.939 17.128 18.257) 29.677 5.243 ( -0.265 10.730 12.655) 16.594 7.856 ( -0.906 -1.518 0.359) 1.804 8.628 ( -15.135 -0.229 -4.740) 15.862 9.567 ( 14.501 -9.931 -3.836) 17.989 9.930 ( 19.299 -2.485 -2.848) 19.665 11.292 ( 3.946 -0.937 5.065) 6.489 11.928 ( 12.115 -5.005 5.307) 14.141 12.498 ( 11.131 -2.600 -6.899) 13.352 13.097 ( -2.566 3.279 -15.155) 15.716 14.171 ( 6.532 -10.838 8.630) 15.317 15.468 ( -4.072 7.802 -6.176) 10.751 16.100 ( -12.694 -2.263 15.976) 20.530 17.489 ( -14.334 5.921 -7.958) 17.431 36.571 ( 7.129 2.868 2.905) 8.214 37.041 ( 6.487 -2.086 -3.887) 7.845 39.828 ( -1.430 8.018 -0.273) 8.149 40.620 ( -4.017 -3.708 -6.938) 8.833 53.983 ( -16.209 18.385 18.891) 30.945 57.014 ( -74.373 52.138 -34.846) 97.283 ======================= Grid point 363 (116/240) ======================= q-point: ( 0.20 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 15.441 4.248 12.166) 20.112 2.779 ( 12.655 17.276 17.934) 27.932 3.494 ( 4.407 0.447 -4.680) 6.444 4.071 ( 15.816 1.222 -6.600) 17.181 4.720 ( 28.864 10.920 16.543) 35.015 5.329 ( 10.424 1.742 13.575) 17.203 7.853 ( 0.517 -1.749 -1.251) 2.212 8.325 ( -14.200 2.455 -3.637) 14.863 9.816 ( 9.882 -6.835 -4.003) 12.665 10.371 ( 23.164 -1.787 -4.378) 23.641 11.429 ( 9.078 -5.085 4.809) 11.463 12.144 ( 9.285 -0.619 1.738) 9.466 12.759 ( 14.096 -3.530 -7.933) 16.555 13.044 ( -2.238 4.630 -15.149) 15.998 14.315 ( 7.460 -12.402 6.451) 15.846 15.380 ( -4.455 7.892 -5.200) 10.449 15.825 ( -13.820 0.943 17.447) 22.277 17.183 ( -15.573 5.175 -5.313) 17.249 36.738 ( 9.145 2.938 2.413) 9.904 37.181 ( 7.117 -2.107 -3.876) 8.374 39.808 ( -0.451 6.317 1.916) 6.616 40.527 ( -5.107 -3.208 -5.736) 8.323 53.618 ( -19.109 19.551 15.541) 31.447 55.618 ( -61.807 46.745 -15.460) 79.020 ======================= Grid point 364 (117/240) ======================= q-point: ( 0.27 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 17.871 0.171 9.408) 20.197 2.991 ( 9.132 13.849 16.187) 23.177 3.555 ( 1.955 -2.140 -3.980) 4.924 4.237 ( 1.235 5.434 -3.765) 6.725 5.327 ( 29.583 2.982 13.254) 32.553 5.670 ( 21.246 -9.156 11.130) 25.673 7.870 ( 0.789 -4.173 -1.658) 4.560 8.070 ( -10.394 4.296 -2.916) 11.619 9.979 ( 6.595 -4.403 -6.693) 10.377 10.822 ( 20.441 0.131 -8.230) 22.036 11.635 ( 10.665 -8.250 6.883) 15.139 12.305 ( 6.607 3.517 -1.461) 7.626 13.005 ( 3.415 -1.532 -9.270) 9.997 13.065 ( 11.040 4.109 -14.049) 18.334 14.463 ( 6.866 -11.223 4.865) 14.027 15.289 ( -4.649 5.554 -5.637) 9.178 15.569 ( -10.682 4.648 19.765) 22.943 16.864 ( -15.900 4.370 -3.967) 16.960 36.931 ( 9.747 2.911 1.699) 10.313 37.319 ( 6.338 -1.484 -3.511) 7.396 39.812 ( 0.887 4.214 3.301) 5.426 40.417 ( -5.706 -2.823 -4.167) 7.608 53.237 ( -17.866 20.426 11.879) 29.623 54.527 ( -46.230 37.680 -6.847) 60.033 ======================= Grid point 365 (118/240) ======================= q-point: ( 0.33 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( 17.570 -2.472 7.148) 19.129 3.165 ( 8.244 8.415 12.682) 17.309 3.580 ( 0.566 -3.928 -1.572) 4.268 4.178 ( -5.861 6.260 -0.508) 8.591 5.872 ( 23.536 -5.221 10.858) 26.441 6.095 ( 19.037 -14.599 8.832) 25.565 7.828 ( -5.474 -7.226 -1.763) 9.236 7.965 ( 0.489 4.696 -2.111) 5.172 10.095 ( 5.082 -2.808 -10.580) 12.068 11.167 ( 13.087 4.417 -14.169) 19.788 11.839 ( 9.181 -8.566 9.924) 16.005 12.420 ( 5.110 3.294 -2.252) 6.483 13.069 ( 4.775 3.940 -11.770) 13.299 13.308 ( 10.447 1.333 -12.299) 16.192 14.578 ( 4.030 -6.762 4.938) 9.292 15.182 ( -5.611 -0.905 -2.738) 6.309 15.432 ( -2.334 9.429 17.292) 19.833 16.542 ( -15.788 3.922 -2.961) 16.535 37.123 ( 8.931 2.696 0.794) 9.363 37.431 ( 4.510 -0.472 -2.923) 5.395 39.843 ( 2.179 2.179 3.877) 4.952 40.299 ( -5.850 -2.479 -2.287) 6.753 52.917 ( -13.339 20.889 8.462) 26.189 53.730 ( -32.941 30.410 -2.737) 44.915 ======================= Grid point 366 (119/240) ======================= q-point: ( 0.40 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.201 ( 14.573 -3.968 4.922) 15.886 3.327 ( 7.893 3.722 8.779) 12.378 3.577 ( -0.887 -4.959 1.200) 5.179 4.027 ( -8.728 5.193 2.203) 10.392 6.262 ( 14.803 -11.689 9.453) 21.098 6.401 ( 10.743 -16.707 7.959) 21.398 7.731 ( -3.329 -7.297 -2.101) 8.291 8.004 ( 2.352 1.228 -0.954) 2.820 10.186 ( 3.832 -1.829 -14.385) 14.999 11.344 ( 4.707 9.946 -19.943) 22.778 11.999 ( 6.483 -7.019 12.407) 15.659 12.521 ( 4.713 -0.475 -0.302) 4.746 13.195 ( 7.330 5.498 -12.776) 15.722 13.459 ( 4.019 3.592 -13.899) 14.907 14.611 ( -0.563 -2.408 7.618) 8.009 15.098 ( -2.228 -2.097 2.885) 4.205 15.463 ( 4.971 7.806 9.607) 13.339 16.230 ( -14.893 3.807 -1.585) 15.454 37.284 ( 6.794 2.202 -0.249) 7.146 37.498 ( 2.076 0.721 -2.167) 3.086 39.899 ( 3.294 0.484 3.721) 4.993 40.183 ( -5.580 -2.078 -0.292) 5.962 52.711 ( -6.743 21.176 5.495) 22.893 53.182 ( -21.309 25.942 -0.092) 33.572 ======================= Grid point 367 (120/240) ======================= q-point: ( 0.47 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.413 ( 6.089 -5.032 3.121) 8.494 3.484 ( 3.449 -2.023 2.087) 4.510 3.569 ( 3.524 -1.645 6.072) 7.211 3.841 ( -8.627 4.043 5.324) 10.914 6.474 ( 6.325 -15.769 8.624) 19.053 6.526 ( 1.761 -16.569 7.904) 18.442 7.692 ( -0.753 -8.937 -2.113) 9.214 8.041 ( 1.090 0.077 -0.336) 1.143 10.243 ( 1.541 -1.402 -16.861) 16.989 11.389 ( 0.605 13.435 -22.439) 26.160 12.093 ( 2.459 -5.807 13.390) 14.800 12.594 ( 2.048 -3.128 1.199) 3.926 13.349 ( 7.307 6.319 -14.463) 17.392 13.464 ( -3.277 5.955 -14.659) 16.158 14.587 ( -0.977 -2.179 10.343) 10.615 15.078 ( -0.258 0.735 5.495) 5.550 15.606 ( 7.576 4.373 3.605) 9.461 15.958 ( -10.602 4.246 0.702) 11.442 37.387 ( 2.966 1.401 -1.310) 3.532 37.517 ( 0.126 1.922 -1.286) 2.316 39.974 ( 3.977 -0.830 2.864) 4.971 40.076 ( -4.752 -1.457 1.569) 5.212 52.644 ( -0.395 21.528 2.824) 21.716 52.870 ( -9.014 23.714 2.294) 25.473 ======================= Grid point 375 (121/240) ======================= q-point: ( 0.00 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 0.000 17.483 11.221) 20.774 2.071 ( 0.000 20.690 6.008) 21.545 2.885 ( 0.000 -1.267 -3.220) 3.461 3.524 ( 0.000 0.795 -8.138) 8.177 4.512 ( 0.000 29.487 27.406) 40.256 5.634 ( 0.000 16.066 15.879) 22.589 7.858 ( 0.000 -2.211 0.856) 2.371 8.838 ( 0.000 -4.139 3.472) 5.402 8.997 ( 0.000 -16.869 -18.027) 24.689 9.335 ( 0.000 -2.362 -3.331) 4.083 11.347 ( 0.000 -3.972 14.661) 15.190 11.483 ( 0.000 3.749 5.463) 6.625 12.210 ( 0.000 -2.895 -4.637) 5.467 13.102 ( 0.000 -6.328 -8.444) 10.552 13.880 ( 0.000 -6.632 15.481) 16.841 15.704 ( 0.000 6.957 -7.504) 10.233 16.315 ( 0.000 -2.193 8.360) 8.643 17.899 ( 0.000 0.948 -15.352) 15.381 36.479 ( 0.000 3.353 2.629) 4.261 36.862 ( 0.000 -1.497 -2.720) 3.105 40.019 ( 0.000 5.736 -4.958) 7.581 40.616 ( 0.000 -4.724 -8.376) 9.616 54.901 ( 0.000 37.239 11.246) 38.900 59.418 ( 0.000 -8.109 -75.785) 76.218 ======================= Grid point 376 (122/240) ======================= q-point: ( 0.07 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 2.798 18.322 7.898) 20.147 2.237 ( 21.313 16.645 8.635) 28.388 3.095 ( 19.283 -1.405 -3.125) 19.585 3.505 ( -1.639 0.225 -8.551) 8.710 4.530 ( 2.144 27.426 26.720) 38.350 5.586 ( -4.481 15.020 15.978) 22.382 7.837 ( -1.779 -2.514 0.442) 3.112 8.775 ( -8.275 -7.797 -9.258) 14.662 9.080 ( 11.993 -9.261 -4.141) 15.708 9.515 ( 14.779 -3.871 -3.653) 15.709 11.287 ( -3.063 -1.238 11.352) 11.823 11.620 ( 10.515 -0.115 7.341) 12.825 12.272 ( 5.956 -2.656 -4.556) 7.955 13.100 ( -0.215 -5.592 -9.525) 11.047 13.904 ( 2.370 -7.074 14.921) 16.682 15.680 ( -2.305 6.979 -7.322) 10.374 16.256 ( -5.784 -1.409 8.598) 10.458 17.806 ( -8.818 1.520 -13.875) 16.510 36.520 ( 3.963 3.364 2.632) 5.826 36.900 ( 3.607 -1.637 -2.693) 4.790 40.003 ( -1.474 5.793 -4.275) 7.349 40.596 ( -1.950 -4.593 -8.073) 9.491 54.801 ( -9.702 36.513 10.957) 39.337 58.903 ( -47.661 0.342 -64.926) 80.542 ======================= Grid point 377 (123/240) ======================= q-point: ( 0.13 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 5.654 14.799 6.515) 17.130 2.743 ( 24.772 15.257 10.209) 30.833 3.456 ( 0.535 0.038 -7.135) 7.155 3.600 ( 25.224 -2.712 -5.453) 25.948 4.629 ( 8.614 20.256 23.960) 32.536 5.473 ( -5.991 11.466 16.214) 20.742 7.798 ( -1.857 -3.800 -0.030) 4.230 8.573 ( -10.657 -4.337 -12.402) 16.917 9.403 ( 17.612 -6.572 -0.157) 18.799 9.874 ( 20.223 -3.095 -2.842) 20.655 11.259 ( 0.629 -2.151 9.243) 9.511 11.866 ( 13.274 -1.765 6.185) 14.750 12.443 ( 10.665 -2.232 -4.438) 11.765 13.094 ( -0.273 -3.563 -12.290) 12.799 13.978 ( 4.984 -7.823 13.057) 16.016 15.615 ( -4.072 6.865 -7.015) 10.626 16.092 ( -9.920 0.629 9.597) 13.817 17.567 ( -14.073 2.360 -10.618) 17.786 36.634 ( 7.193 3.394 2.610) 8.371 37.002 ( 6.227 -1.854 -2.545) 6.978 39.965 ( -2.159 5.704 -2.583) 6.623 40.539 ( -3.570 -4.293 -7.217) 9.125 54.526 ( -16.884 34.564 10.177) 39.791 57.686 ( -67.390 14.996 -43.030) 81.350 ======================= Grid point 378 (124/240) ======================= q-point: ( 0.20 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 10.157 9.379 5.778) 14.984 3.127 ( 11.860 16.304 12.073) 23.500 3.470 ( 2.232 -2.412 -6.972) 7.708 4.102 ( 20.951 1.672 -3.791) 21.357 4.907 ( 18.656 7.167 17.892) 26.824 5.384 ( -1.382 3.913 16.107) 16.633 7.762 ( -1.773 -5.989 0.088) 6.247 8.362 ( -9.912 0.866 -11.197) 14.979 9.732 ( 14.197 -2.215 0.127) 14.370 10.319 ( 23.099 -3.179 -3.567) 23.588 11.318 ( 5.217 -5.304 8.357) 11.189 12.133 ( 12.529 -1.109 4.128) 13.238 12.690 ( 13.287 -2.052 -4.326) 14.123 13.097 ( 0.883 -0.653 -15.820) 15.858 14.106 ( 7.590 -7.778 9.930) 14.721 15.517 ( -5.679 6.028 -7.326) 11.057 15.876 ( -10.704 3.382 12.032) 16.455 17.259 ( -15.939 2.586 -7.413) 17.768 36.802 ( 9.167 3.416 2.498) 10.097 37.142 ( 7.385 -1.813 -2.183) 7.911 39.922 ( -1.871 5.069 -0.602) 5.437 40.454 ( -4.714 -3.952 -5.893) 8.519 54.145 ( -19.997 31.942 9.112) 38.771 56.335 ( -63.407 23.415 -24.414) 71.867 ======================= Grid point 379 (125/240) ======================= q-point: ( 0.27 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 13.463 3.816 5.334) 14.975 3.261 ( 3.390 9.793 7.730) 12.929 3.525 ( 2.097 2.042 1.214) 3.169 4.362 ( 3.968 6.903 -0.554) 7.981 5.334 ( 21.791 -5.111 11.834) 25.318 5.475 ( 10.715 -7.365 13.127) 18.477 7.722 ( -2.353 -7.794 0.368) 8.149 8.185 ( -7.194 4.839 -8.078) 11.850 9.971 ( 9.583 2.891 -2.073) 10.221 10.781 ( 21.856 -3.739 -5.934) 22.954 11.466 ( 9.097 -8.060 9.209) 15.249 12.348 ( 8.163 0.253 1.986) 8.405 12.948 ( 10.980 -1.450 -5.540) 12.384 13.160 ( 6.433 2.213 -17.742) 19.001 14.281 ( 9.492 -6.364 6.402) 13.099 15.374 ( -8.563 4.010 -7.283) 11.935 15.693 ( -6.707 6.406 14.519) 17.229 16.932 ( -16.206 2.478 -4.883) 17.106 36.995 ( 9.639 3.366 2.229) 10.451 37.291 ( 7.067 -1.383 -1.608) 7.379 39.893 ( -0.894 3.839 1.102) 4.093 40.352 ( -5.342 -3.599 -4.187) 7.682 53.745 ( -18.827 29.250 7.947) 35.681 55.177 ( -50.439 25.393 -12.480) 57.833 ======================= Grid point 380 (126/240) ======================= q-point: ( 0.33 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( 14.499 -0.857 5.039) 15.374 3.315 ( 2.451 2.948 4.288) 5.752 3.543 ( -0.055 3.704 6.642) 7.606 4.311 ( -7.143 6.780 3.561) 10.472 5.733 ( 16.428 -11.557 8.667) 21.875 5.755 ( 15.145 -15.722 9.181) 23.682 7.665 ( -3.155 -6.941 -0.002) 7.625 8.079 ( -3.241 5.059 -3.639) 7.025 10.132 ( 6.572 5.955 -6.192) 10.817 11.178 ( 16.801 -2.776 -9.702) 19.599 11.669 ( 10.439 -8.421 11.257) 17.510 12.456 ( 2.725 -0.084 0.219) 2.735 13.130 ( 8.321 2.487 -11.813) 14.662 13.350 ( 10.514 2.156 -13.938) 17.592 14.474 ( 8.928 -3.488 3.817) 10.317 15.188 ( -8.897 2.228 -4.161) 10.071 15.611 ( -1.629 7.652 13.615) 15.703 16.607 ( -15.833 2.475 -2.698) 16.250 37.183 ( 8.613 3.167 1.769) 9.346 37.420 ( 5.512 -0.632 -0.881) 5.617 39.888 ( 0.412 2.272 2.232) 3.211 40.242 ( -5.436 -3.181 -2.247) 6.687 53.406 ( -14.141 26.957 6.738) 31.178 54.299 ( -36.403 24.798 -5.226) 44.355 ======================= Grid point 381 (127/240) ======================= q-point: ( 0.40 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.111 ( 12.279 -4.365 4.588) 13.816 3.367 ( 2.607 -2.566 1.426) 3.926 3.538 ( 0.271 3.836 10.115) 10.821 4.125 ( -10.498 4.337 5.852) 12.777 5.990 ( 9.394 -16.442 7.528) 20.378 6.025 ( 10.321 -18.653 7.501) 22.599 7.604 ( -2.542 -4.130 -0.520) 4.877 8.044 ( -0.565 2.265 0.299) 2.354 10.243 ( 4.372 7.039 -10.369) 13.273 11.445 ( 9.475 0.309 -14.469) 17.298 11.865 ( 8.380 -6.722 13.558) 17.299 12.482 ( 0.492 -3.126 0.289) 3.178 13.306 ( 8.829 5.297 -15.924) 18.962 13.528 ( 6.218 2.985 -13.215) 14.907 14.601 ( 2.640 0.972 4.128) 4.996 15.062 ( -2.552 -0.246 -1.646) 3.047 15.621 ( 2.695 7.113 11.357) 13.668 16.296 ( -14.665 2.695 -0.314) 14.914 37.335 ( 6.218 2.772 1.125) 6.900 37.508 ( 3.165 0.280 -0.061) 3.178 39.910 ( 1.776 0.674 2.643) 3.255 40.135 ( -5.010 -2.613 -0.311) 5.659 53.188 ( -7.142 25.356 5.349) 26.881 53.695 ( -23.369 23.939 -0.542) 33.459 ======================= Grid point 382 (128/240) ======================= q-point: ( 0.47 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( 4.661 -6.520 3.173) 8.620 3.401 ( 0.242 -5.333 2.259) 5.797 3.595 ( 5.154 3.094 9.425) 11.178 3.917 ( -8.596 3.216 7.888) 12.102 6.115 ( 3.032 -19.273 7.078) 20.754 6.164 ( 3.371 -19.238 7.255) 20.836 7.569 ( -0.872 -2.333 -0.696) 2.587 8.042 ( 0.077 -0.001 2.352) 2.353 10.305 ( 1.636 7.196 -12.945) 14.901 11.566 ( 2.732 3.598 -18.103) 18.658 11.987 ( 3.226 -4.813 15.394) 16.448 12.489 ( 0.199 -6.777 1.150) 6.877 13.465 ( 5.860 5.262 -20.006) 21.500 13.588 ( -0.036 5.549 -12.823) 13.972 14.599 ( -1.164 3.304 7.085) 7.904 15.064 ( 1.088 -1.197 -0.755) 1.786 15.715 ( 5.627 5.796 7.713) 11.169 16.033 ( -9.951 3.081 2.669) 10.754 37.425 ( 2.423 2.291 0.438) 3.363 37.548 ( 0.859 1.070 0.705) 1.542 39.958 ( 2.725 -0.736 2.250) 3.610 40.043 ( -3.839 -1.801 1.364) 4.454 53.118 ( -0.278 24.635 3.452) 24.877 53.353 ( -9.905 23.402 2.848) 25.571 ======================= Grid point 390 (129/240) ======================= q-point: ( 0.00 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 0.000 14.387 7.225) 16.100 2.488 ( 0.000 20.332 -2.476) 20.483 2.843 ( 0.000 -3.097 -1.242) 3.336 3.436 ( 0.000 -8.323 -12.567) 15.073 5.091 ( 0.000 26.548 28.485) 38.939 5.896 ( 0.000 9.081 18.124) 20.272 7.827 ( 0.000 -0.835 -0.456) 0.951 8.707 ( 0.000 -11.854 -16.134) 20.020 8.773 ( 0.000 -2.337 3.808) 4.468 9.282 ( 0.000 -2.646 -3.145) 4.110 11.276 ( 0.000 -2.863 15.951) 16.206 11.553 ( 0.000 3.055 4.235) 5.222 12.155 ( 0.000 -2.439 -4.045) 4.724 12.944 ( 0.000 -8.269 -4.237) 9.291 13.768 ( 0.000 -4.463 18.913) 19.432 15.839 ( 0.000 6.424 -9.001) 11.059 16.271 ( 0.000 -2.618 4.725) 5.402 17.909 ( 0.000 0.320 -16.484) 16.488 36.545 ( 0.000 3.086 1.915) 3.632 36.830 ( 0.000 -1.674 -2.059) 2.654 40.112 ( 0.000 3.781 -5.249) 6.469 40.526 ( 0.000 -4.049 -8.911) 9.788 55.778 ( 0.000 49.187 -2.422) 49.246 58.946 ( 0.000 -36.266 -57.236) 67.759 ======================= Grid point 391 (130/240) ======================= q-point: ( 0.07 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 5.006 17.244 2.806) 18.174 2.556 ( 14.603 15.271 1.583) 21.188 3.051 ( 19.301 -3.030 -1.447) 19.591 3.415 ( -1.852 -8.136 -12.344) 14.899 5.064 ( -2.452 24.317 28.067) 37.217 5.832 ( -6.007 8.739 18.102) 20.980 7.794 ( -2.907 -1.584 -0.100) 3.312 8.610 ( -6.096 -7.747 -12.973) 16.294 8.947 ( 13.995 -4.341 0.919) 14.682 9.443 ( 14.500 -3.150 -3.322) 15.206 11.249 ( -1.984 -1.959 14.446) 14.713 11.636 ( 7.593 1.208 4.777) 9.051 12.227 ( 6.902 -1.658 -3.789) 8.046 12.954 ( 0.867 -7.892 -5.522) 9.671 13.789 ( 2.230 -4.345 18.451) 19.086 15.814 ( -2.441 6.295 -8.998) 11.249 16.225 ( -4.489 -2.036 4.966) 6.997 17.824 ( -8.082 0.632 -15.432) 17.432 36.586 ( 3.966 3.081 1.995) 5.404 36.866 ( 3.493 -1.694 -1.928) 4.334 40.098 ( -1.365 3.859 -4.832) 6.333 40.508 ( -1.809 -4.019 -8.560) 9.628 55.652 ( -12.101 47.382 -1.922) 48.941 58.581 ( -34.374 -29.701 -51.577) 68.731 ======================= Grid point 392 (131/240) ======================= q-point: ( 0.13 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 1.607 16.847 -0.966) 16.951 3.010 ( 23.977 10.606 4.695) 26.635 3.376 ( -0.841 -6.925 -10.518) 12.621 3.554 ( 28.259 -2.248 -2.056) 28.423 5.011 ( -2.138 17.009 26.382) 31.463 5.669 ( -9.612 7.493 17.898) 21.653 7.726 ( -3.582 -3.041 0.797) 4.765 8.482 ( -6.423 -4.390 -12.973) 15.127 9.300 ( 19.800 -3.765 1.362) 20.200 9.812 ( 20.816 -2.863 -3.236) 21.260 11.219 ( -0.594 -1.608 12.699) 12.814 11.838 ( 11.826 -1.306 4.362) 12.672 12.422 ( 11.902 0.133 -3.544) 12.419 12.977 ( 1.383 -7.167 -8.530) 11.227 13.865 ( 5.377 -3.720 16.427) 17.680 15.742 ( -4.573 5.855 -9.137) 11.776 16.098 ( -7.708 -0.422 5.983) 9.767 17.599 ( -13.565 1.156 -12.754) 18.655 36.701 ( 7.197 3.067 2.196) 8.125 36.966 ( 6.196 -1.698 -1.539) 6.607 40.060 ( -2.282 3.953 -3.691) 5.870 40.455 ( -3.357 -3.939 -7.556) 9.159 55.310 ( -20.881 42.627 -0.575) 47.470 57.662 ( -53.308 -15.426 -38.459) 67.519 ======================= Grid point 393 (132/240) ======================= q-point: ( 0.20 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 4.850 12.764 -0.656) 13.670 3.264 ( 0.475 -5.419 -8.267) 9.896 3.534 ( 15.492 11.148 7.189) 20.395 4.125 ( 26.122 0.319 -2.741) 26.268 5.002 ( 1.702 2.791 22.720) 22.954 5.477 ( -8.031 4.778 16.669) 19.110 7.658 ( -3.010 -3.885 1.881) 5.262 8.353 ( -6.169 -1.569 -11.491) 13.136 9.708 ( 19.623 -0.418 0.908) 19.648 10.252 ( 22.067 -3.204 -3.371) 22.551 11.237 ( 2.604 -2.671 11.633) 12.217 12.093 ( 12.712 -2.618 3.567) 13.460 12.689 ( 13.848 1.683 -4.129) 14.549 13.019 ( 3.381 -6.145 -11.981) 13.883 14.008 ( 8.670 -2.519 12.340) 15.290 15.628 ( -6.749 5.155 -9.670) 12.870 15.932 ( -8.156 1.724 8.303) 11.765 17.296 ( -15.930 1.345 -9.401) 18.546 36.868 ( 9.140 3.035 2.429) 9.933 37.108 ( 7.603 -1.583 -0.921) 7.820 40.011 ( -2.498 3.785 -2.116) 5.005 40.375 ( -4.456 -3.806 -6.021) 8.402 54.842 ( -24.480 36.448 1.236) 43.923 56.540 ( -55.098 -2.159 -24.572) 60.368 ======================= Grid point 394 (133/240) ======================= q-point: ( 0.27 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( 8.120 7.611 0.530) 11.142 3.251 ( -0.667 -7.064 -7.269) 10.158 3.747 ( 4.723 16.070 13.518) 21.524 4.499 ( 7.304 6.369 0.965) 9.739 5.100 ( 9.305 -14.516 16.350) 23.762 5.418 ( 3.403 -1.348 11.672) 12.232 7.608 ( -1.860 -3.306 2.732) 4.675 8.236 ( -5.301 0.367 -8.468) 9.998 10.064 ( 15.015 5.785 -0.765) 16.109 10.688 ( 20.613 -5.281 -4.401) 21.729 11.333 ( 7.022 -4.919 11.471) 14.320 12.317 ( 8.511 -2.795 3.253) 9.531 12.949 ( 11.378 1.085 -8.139) 14.031 13.148 ( 9.794 -2.556 -13.264) 16.684 14.208 ( 10.810 -1.522 7.468) 13.227 15.466 ( -9.178 5.004 -9.364) 14.034 15.792 ( -5.269 3.199 10.723) 12.369 16.968 ( -16.289 1.252 -6.015) 17.410 37.060 ( 9.527 2.960 2.590) 10.307 37.264 ( 7.555 -1.291 -0.137) 7.666 39.964 ( -2.007 3.182 -0.471) 3.791 40.278 ( -4.998 -3.574 -4.128) 7.402 54.354 ( -22.884 30.374 3.055) 38.152 55.498 ( -46.777 6.617 -13.468) 49.125 ======================= Grid point 395 (134/240) ======================= q-point: ( 0.33 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( 9.917 2.351 2.215) 10.430 3.248 ( 0.363 -6.698 -3.989) 7.804 3.758 ( -2.482 14.642 15.764) 21.658 4.430 ( -10.307 4.266 9.322) 14.538 5.368 ( 14.471 -17.349 7.666) 23.858 5.563 ( 8.695 -9.333 6.759) 14.436 7.585 ( -0.367 -0.989 2.927) 3.111 8.141 ( -4.057 1.015 -4.293) 5.993 10.308 ( 9.189 11.012 -3.628) 14.794 11.073 ( 16.966 -7.539 -6.399) 19.638 11.516 ( 10.680 -6.400 12.056) 17.331 12.420 ( 1.787 -2.991 2.544) 4.314 13.173 ( 11.227 1.637 -14.702) 18.571 13.376 ( 11.333 0.575 -12.077) 16.572 14.433 ( 10.933 -1.044 3.629) 11.567 15.272 ( -9.437 5.683 -7.197) 13.159 15.723 ( -1.543 3.484 11.724) 12.328 16.643 ( -15.731 1.209 -2.710) 16.008 37.244 ( 8.367 2.809 2.591) 9.198 37.405 ( 6.183 -0.846 0.730) 6.283 39.933 ( -0.973 2.172 0.896) 2.543 40.177 ( -4.936 -3.169 -2.110) 6.233 53.942 ( -17.258 25.384 4.442) 31.015 54.669 ( -34.876 11.659 -5.555) 37.191 ======================= Grid point 396 (135/240) ======================= q-point: ( 0.40 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( 8.972 -2.118 3.879) 10.001 3.266 ( 1.373 -5.814 -0.209) 5.978 3.693 ( -2.875 10.022 14.963) 18.237 4.184 ( -12.740 1.060 11.421) 17.142 5.618 ( 9.630 -17.023 5.043) 20.198 5.716 ( 5.860 -13.894 4.883) 15.850 7.591 ( 0.873 2.660 2.277) 3.608 8.072 ( -2.803 0.064 0.157) 2.808 10.448 ( 4.915 13.016 -6.566) 15.384 11.354 ( 10.375 -9.563 -8.062) 16.251 11.747 ( 11.484 -4.413 11.792) 17.041 12.408 ( -2.412 -3.836 2.091) 4.990 13.394 ( 10.068 3.285 -19.353) 22.061 13.570 ( 7.280 1.279 -12.897) 14.865 14.625 ( 7.272 0.994 2.132) 7.643 15.110 ( -5.880 4.633 -4.647) 8.811 15.730 ( 2.349 3.658 11.458) 12.255 16.336 ( -14.393 1.340 0.710) 14.473 37.390 ( 5.856 2.584 2.384) 6.830 37.508 ( 3.855 -0.347 1.592) 4.185 39.927 ( 0.369 0.930 1.699) 1.972 40.082 ( -4.285 -2.531 -0.250) 4.983 53.672 ( -9.139 21.855 4.984) 24.207 54.088 ( -22.600 14.500 -0.146) 26.852 ======================= Grid point 397 (136/240) ======================= q-point: ( 0.47 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( 3.653 -4.136 4.420) 7.070 3.293 ( 0.880 -5.170 3.917) 6.546 3.678 ( 1.466 5.181 12.505) 13.615 3.956 ( -8.238 0.406 11.819) 14.413 5.750 ( 3.395 -16.158 4.361) 17.077 5.792 ( 1.711 -16.663 4.439) 17.328 7.610 ( 0.682 5.911 1.263) 6.083 8.031 ( -1.128 -1.611 3.374) 3.906 10.513 ( 1.612 13.307 -8.376) 15.806 11.490 ( 3.254 -11.228 -8.354) 14.368 11.941 ( 6.304 0.795 10.347) 12.142 12.346 ( -2.750 -6.944 2.476) 7.869 13.554 ( 4.833 3.445 -22.708) 23.471 13.661 ( 1.780 1.681 -14.262) 14.470 14.706 ( 1.141 6.715 3.484) 7.651 15.050 ( -0.614 -0.301 -3.364) 3.433 15.818 ( 5.669 4.213 9.277) 11.660 16.076 ( -10.165 1.229 4.337) 11.119 37.473 ( 2.182 2.382 2.045) 3.823 37.559 ( 1.222 0.018 2.281) 2.588 39.947 ( 1.549 -0.296 1.732) 2.343 40.007 ( -2.917 -1.675 1.185) 3.567 53.575 ( -0.896 19.887 4.249) 20.356 53.756 ( -9.713 15.985 3.498) 19.029 ======================= Grid point 405 (137/240) ======================= q-point: ( 0.00 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( 0.000 8.288 4.381) 9.375 2.763 ( 0.000 -4.258 0.733) 4.321 2.857 ( 0.000 15.470 -8.769) 17.783 3.226 ( 0.000 -11.519 -9.708) 15.064 5.507 ( 0.000 12.969 27.457) 30.366 5.981 ( 0.000 0.256 18.262) 18.264 7.820 ( 0.000 -0.057 -1.120) 1.121 8.541 ( 0.000 -4.392 -13.659) 14.347 8.743 ( 0.000 -0.679 3.859) 3.918 9.241 ( 0.000 -1.183 -2.933) 3.162 11.238 ( 0.000 -0.924 16.564) 16.590 11.597 ( 0.000 1.213 3.493) 3.697 12.120 ( 0.000 -0.991 -3.646) 3.778 12.816 ( 0.000 -3.704 -2.763) 4.621 13.706 ( 0.000 -1.608 20.773) 20.835 15.947 ( 0.000 3.623 -11.377) 11.940 16.215 ( 0.000 -2.314 4.540) 5.096 17.914 ( 0.000 0.197 -17.291) 17.292 36.593 ( 0.000 1.440 1.368) 1.986 36.802 ( 0.000 -0.915 -1.542) 1.793 40.168 ( 0.000 1.621 -5.259) 5.503 40.464 ( 0.000 -1.849 -9.432) 9.612 56.783 ( 0.000 46.744 -17.094) 49.772 58.098 ( 0.000 -43.150 -40.214) 58.983 ======================= Grid point 406 (138/240) ======================= q-point: ( 0.07 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 14.538 8.397 3.387) 17.127 2.850 ( 1.663 12.888 -7.943) 15.230 2.980 ( 19.577 -3.004 -0.013) 19.806 3.212 ( -0.834 -10.908 -9.481) 14.477 5.440 ( -6.337 11.470 27.648) 30.596 5.921 ( -5.726 0.833 18.203) 19.101 7.774 ( -3.974 -0.463 -0.317) 4.013 8.496 ( -3.504 -3.154 -11.985) 12.879 8.893 ( 13.534 -1.263 2.348) 13.794 9.398 ( 14.448 -1.225 -3.336) 14.879 11.221 ( -1.334 -0.697 15.709) 15.781 11.654 ( 5.530 0.469 3.385) 6.501 12.207 ( 8.331 -0.412 -3.343) 8.986 12.829 ( 1.156 -3.660 -3.969) 5.521 13.731 ( 2.565 -1.497 20.373) 20.589 15.918 ( -2.770 3.464 -11.489) 12.316 16.178 ( -3.576 -2.001 4.825) 6.330 17.834 ( -7.738 0.295 -16.426) 18.160 36.634 ( 3.955 1.436 1.487) 4.463 36.838 ( 3.491 -0.912 -1.366) 3.858 40.155 ( -1.249 1.668 -4.961) 5.381 40.445 ( -1.807 -1.864 -9.028) 9.394 56.610 ( -16.630 43.858 -15.615) 49.436 57.844 ( -24.195 -38.695 -37.090) 58.808 ======================= Grid point 407 (139/240) ======================= q-point: ( 0.13 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( -0.536 15.085 -6.917) 16.604 3.066 ( 6.005 -7.629 -5.750) 11.284 3.292 ( 16.714 1.160 -0.999) 16.784 3.505 ( 29.545 -2.227 -0.916) 29.643 5.267 ( -10.361 7.373 27.857) 30.623 5.760 ( -9.784 1.881 17.853) 20.445 7.685 ( -4.341 -0.987 1.275) 4.630 8.413 ( -4.545 -2.042 -10.723) 11.824 9.251 ( 20.928 -1.189 1.461) 21.013 9.771 ( 21.000 -1.112 -3.717) 21.356 11.199 ( -0.587 -0.452 14.345) 14.365 11.815 ( 10.170 -0.705 2.934) 10.608 12.437 ( 13.781 0.842 -3.307) 14.197 12.856 ( 1.390 -3.796 -6.617) 7.754 13.818 ( 6.244 -1.101 18.308) 19.375 15.837 ( -5.198 3.015 -11.800) 13.242 16.078 ( -6.102 -1.124 5.807) 8.499 17.616 ( -13.307 0.461 -14.063) 19.366 36.748 ( 7.175 1.426 1.810) 7.536 36.938 ( 6.244 -0.893 -0.870) 6.368 40.120 ( -2.217 1.762 -4.108) 4.990 40.393 ( -3.342 -1.901 -7.872) 8.761 56.145 ( -28.190 36.483 -11.731) 47.574 57.179 ( -39.587 -27.950 -29.251) 56.603 ======================= Grid point 408 (140/240) ======================= q-point: ( 0.20 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 0.969 12.801 -6.395) 14.342 3.079 ( -0.687 -11.030 -8.349) 13.851 3.729 ( 20.849 6.076 4.576) 22.193 4.114 ( 29.100 -0.975 -1.999) 29.185 5.037 ( -11.884 0.905 27.521) 29.991 5.549 ( -10.255 1.992 16.396) 19.442 7.612 ( -2.726 -0.934 2.858) 4.058 8.316 ( -4.873 -1.443 -9.077) 10.403 9.708 ( 23.497 0.194 0.222) 23.499 10.203 ( 20.825 -1.452 -3.570) 21.178 11.207 ( 1.561 -0.580 13.418) 13.520 12.049 ( 12.140 -1.375 2.711) 12.515 12.740 ( 15.279 2.783 -4.461) 16.158 12.897 ( 3.672 -4.834 -9.608) 11.365 13.982 ( 9.627 -0.516 13.854) 16.878 15.711 ( -7.139 2.562 -12.098) 14.279 15.945 ( -6.661 -0.066 7.646) 10.141 17.315 ( -15.962 0.506 -10.721) 19.235 36.916 ( 9.100 1.409 2.248) 9.479 37.082 ( 7.748 -0.839 -0.132) 7.795 40.069 ( -2.685 1.791 -2.824) 4.288 40.313 ( -4.383 -1.929 -6.123) 7.773 55.519 ( -32.298 27.460 -6.703) 42.921 56.320 ( -43.537 -16.028 -19.814) 50.448 ======================= Grid point 409 (141/240) ======================= q-point: ( 0.27 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( 3.263 8.990 -4.304) 10.488 3.077 ( 0.692 -9.067 -6.226) 11.020 4.036 ( 8.038 10.241 9.614) 16.184 4.587 ( 9.696 1.593 1.712) 9.974 4.848 ( 0.617 -8.173 21.471) 22.982 5.392 ( -3.956 -0.950 11.942) 12.616 7.580 ( -0.307 -0.121 4.147) 4.160 8.221 ( -4.523 -1.072 -6.828) 8.260 10.171 ( 21.351 3.807 -1.645) 21.750 10.591 ( 17.201 -3.491 -3.370) 17.872 11.272 ( 5.148 -1.402 12.918) 13.977 12.266 ( 8.268 -1.662 3.346) 9.073 12.970 ( 8.939 0.634 -12.719) 15.559 13.099 ( 14.833 -1.541 -7.592) 16.734 14.195 ( 11.094 -0.185 8.435) 13.938 15.552 ( -8.457 2.766 -11.692) 14.693 15.824 ( -4.904 0.422 9.904) 11.060 16.985 ( -16.414 0.428 -6.882) 17.803 37.106 ( 9.453 1.384 2.690) 9.925 37.242 ( 7.801 -0.742 0.735) 7.871 40.015 ( -2.542 1.645 -1.331) 3.308 40.220 ( -4.786 -1.886 -4.032) 6.536 54.883 ( -29.548 19.379 -1.794) 35.381 55.474 ( -38.977 -6.470 -11.173) 41.059 ======================= Grid point 410 (142/240) ======================= q-point: ( 0.33 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( 4.923 4.211 -1.129) 6.576 3.109 ( 2.414 -6.010 -2.787) 7.051 4.051 ( -5.193 12.468 15.279) 20.393 4.430 ( -13.870 -4.507 18.120) 23.260 5.127 ( 15.686 -5.458 2.788) 16.841 5.402 ( 3.933 -5.399 5.821) 8.860 7.601 ( 2.368 1.421 4.842) 5.574 8.133 ( -4.163 -0.981 -4.010) 5.863 10.536 ( 14.015 10.129 -3.272) 17.599 10.895 ( 12.719 -8.818 -3.632) 15.897 11.429 ( 10.653 -2.165 11.981) 16.178 12.365 ( 1.777 -1.745 3.305) 4.138 13.192 ( 12.452 0.379 -17.482) 21.467 13.383 ( 12.414 0.176 -9.775) 15.802 14.420 ( 11.040 -0.279 4.122) 11.788 15.375 ( -8.801 3.443 -10.008) 13.765 15.757 ( -1.445 0.436 11.664) 11.761 16.658 ( -15.735 0.361 -2.826) 15.990 37.288 ( 8.260 1.357 3.032) 8.903 37.389 ( 6.477 -0.625 1.616) 6.705 39.970 ( -1.811 1.275 0.077) 2.217 40.124 ( -4.512 -1.702 -1.918) 5.189 54.355 ( -22.048 13.566 2.094) 25.972 54.770 ( -30.183 -0.250 -4.304) 30.489 ======================= Grid point 411 (143/240) ======================= q-point: ( 0.40 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( 5.545 0.129 2.622) 6.135 3.169 ( 3.098 -3.177 1.341) 4.635 3.901 ( -7.822 9.381 16.504) 20.532 4.146 ( -13.284 -4.532 17.392) 22.349 5.383 ( 9.466 -5.705 1.530) 11.157 5.495 ( 4.195 -6.851 2.800) 8.507 7.672 ( 4.416 3.687 4.557) 7.339 8.048 ( -4.307 -1.676 -0.786) 4.688 10.739 ( 6.550 15.097 -3.823) 16.895 11.095 ( 6.960 -14.656 -3.387) 16.575 11.694 ( 14.687 -1.160 9.037) 17.284 12.349 ( -3.283 -1.682 2.989) 4.748 13.435 ( 10.729 0.927 -20.653) 23.292 13.584 ( 7.158 0.268 -13.527) 15.306 14.637 ( 10.254 0.273 1.842) 10.422 15.201 ( -8.328 3.137 -6.998) 11.320 15.772 ( 2.943 0.789 11.762) 12.151 16.352 ( -14.329 0.364 1.339) 14.396 37.432 ( 5.784 1.386 3.184) 6.746 37.497 ( 4.069 -0.573 2.410) 4.764 39.945 ( -0.625 0.717 1.090) 1.446 40.041 ( -3.630 -1.337 -0.122) 3.871 54.007 ( -12.090 10.054 4.421) 16.334 54.261 ( -19.970 3.230 0.669) 20.241 ======================= Grid point 412 (144/240) ======================= q-point: ( 0.47 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( 4.290 -0.615 5.538) 7.033 3.208 ( 0.104 -2.859 5.192) 5.928 3.794 ( -1.869 5.781 15.236) 16.403 3.924 ( -7.497 -3.387 15.499) 17.547 5.516 ( 3.873 -6.270 1.549) 7.531 5.548 ( 0.714 -6.831 1.848) 7.113 7.762 ( 3.626 7.599 2.992) 8.936 7.965 ( -3.320 -4.650 2.480) 6.228 10.822 ( 1.932 17.118 -4.150) 17.720 11.183 ( 2.011 -17.720 -2.793) 18.051 11.979 ( 12.100 1.748 5.969) 13.605 12.236 ( -7.405 -3.381 3.540) 8.877 13.603 ( 5.284 1.466 -21.717) 22.399 13.667 ( 1.094 -0.498 -17.466) 17.508 14.826 ( 7.796 4.107 0.480) 8.825 15.042 ( -6.908 -0.491 -3.487) 7.754 15.878 ( 7.374 1.651 9.534) 12.165 16.087 ( -11.450 0.051 5.504) 12.705 37.515 ( 2.263 1.681 3.077) 4.173 37.550 ( 1.194 -0.822 3.034) 3.362 39.946 ( 0.757 0.125 1.448) 1.639 39.980 ( -2.255 -0.868 1.076) 2.645 53.869 ( -1.746 8.464 4.885) 9.927 53.965 ( -8.999 4.736 3.874) 10.882 ======================= Grid point 495 (145/240) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 0.000 0.000 22.711) 22.711 2.254 ( 0.000 0.000 27.551) 27.551 2.725 ( 0.000 0.000 -10.242) 10.242 3.130 ( 0.000 0.000 11.897) 11.897 3.947 ( 0.000 0.000 20.830) 20.830 4.980 ( 0.000 0.000 -1.118) 1.118 8.287 ( 0.000 0.000 16.215) 16.215 9.108 ( 0.000 0.000 2.097) 2.097 9.298 ( 0.000 0.000 -3.249) 3.249 9.503 ( 0.000 0.000 -20.210) 20.210 11.535 ( 0.000 0.000 10.328) 10.328 11.736 ( 0.000 0.000 10.981) 10.981 12.173 ( 0.000 0.000 -8.181) 8.181 12.530 ( 0.000 0.000 -13.958) 13.958 14.356 ( 0.000 0.000 8.973) 8.973 15.106 ( 0.000 0.000 -12.777) 12.777 17.080 ( 0.000 0.000 6.643) 6.643 17.381 ( 0.000 0.000 -1.366) 1.366 36.453 ( 0.000 0.000 5.204) 5.204 36.813 ( 0.000 0.000 -5.168) 5.168 39.722 ( 0.000 0.000 11.887) 11.887 40.592 ( 0.000 0.000 -12.756) 12.756 54.990 ( 0.000 0.000 14.605) 14.605 56.162 ( 0.000 0.000 -19.482) 19.482 ======================= Grid point 496 (146/240) ======================= q-point: ( 0.07 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 23.365 0.000 20.658) 31.187 2.264 ( 1.982 0.000 25.921) 25.997 2.963 ( 21.018 0.000 -10.107) 23.322 3.142 ( 1.710 0.000 7.750) 7.936 4.013 ( 7.160 0.000 23.000) 24.089 5.002 ( 2.574 0.000 -0.180) 2.580 8.213 ( -6.210 0.000 14.868) 16.113 8.946 ( -13.727 0.000 -0.589) 13.739 9.458 ( 14.292 0.000 -2.805) 14.564 9.616 ( 9.279 0.000 -12.316) 15.420 11.359 ( -6.766 0.000 8.019) 10.492 12.026 ( 17.425 0.000 7.512) 18.975 12.081 ( -6.823 0.000 -12.059) 13.855 12.632 ( 7.987 0.000 -10.252) 12.996 14.412 ( 5.418 0.000 7.872) 9.556 15.094 ( -1.104 0.000 -11.836) 11.888 16.962 ( -11.141 0.000 9.109) 14.391 17.323 ( -5.595 0.000 -1.805) 5.879 36.489 ( 3.441 0.000 5.053) 6.113 36.856 ( 3.984 0.000 -5.753) 6.998 39.732 ( 0.972 0.000 11.635) 11.676 40.572 ( -1.903 0.000 -12.113) 12.261 54.858 ( -12.756 0.000 13.193) 18.351 55.773 ( -35.291 0.000 -9.367) 36.514 ======================= Grid point 497 (147/240) ======================= q-point: ( 0.13 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 7.805 0.000 22.622) 23.931 2.439 ( 20.352 0.000 20.867) 29.149 3.227 ( 6.928 0.000 -1.745) 7.144 3.450 ( 23.872 0.000 -11.442) 26.472 4.286 ( 21.082 0.000 25.290) 32.925 5.119 ( 10.329 0.000 2.550) 10.639 8.077 ( -6.664 0.000 12.714) 14.355 8.630 ( -16.139 0.000 1.138) 16.179 9.805 ( 18.331 0.000 -3.926) 18.746 9.821 ( 9.954 0.000 -7.442) 12.429 11.344 ( 5.305 0.000 2.787) 5.993 11.958 ( -4.505 0.000 -14.870) 15.538 12.332 ( 12.373 0.000 3.735) 12.925 12.799 ( 7.912 0.000 -7.297) 10.763 14.560 ( 8.653 0.000 5.463) 10.234 15.063 ( -1.847 0.000 -9.110) 9.295 16.665 ( -17.205 0.000 13.576) 21.916 17.160 ( -10.300 0.000 -2.950) 10.715 36.589 ( 6.258 0.000 4.580) 7.755 36.962 ( 6.202 0.000 -6.688) 9.121 39.761 ( 1.851 0.000 10.917) 11.073 40.519 ( -3.191 0.000 -10.525) 10.998 54.496 ( -22.319 0.000 9.697) 24.334 54.908 ( -46.169 0.000 5.864) 46.540 ======================= Grid point 498 (148/240) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 13.362 0.000 17.919) 22.352 2.755 ( 12.142 0.000 20.433) 23.768 3.393 ( 8.367 0.000 -4.861) 9.677 3.822 ( 11.717 0.000 -11.779) 16.614 4.863 ( 34.312 0.000 21.921) 40.717 5.461 ( 23.353 0.000 5.008) 23.884 7.956 ( -5.055 0.000 10.208) 11.391 8.329 ( -13.116 0.000 1.209) 13.172 9.989 ( 6.409 0.000 -7.632) 9.966 10.141 ( 13.668 0.000 -8.299) 15.990 11.553 ( 14.427 0.000 0.542) 14.437 11.928 ( 2.106 0.000 -12.964) 13.134 12.531 ( 7.632 0.000 1.271) 7.737 12.940 ( 5.809 0.000 -7.014) 9.107 14.744 ( 9.211 0.000 3.260) 9.771 15.023 ( -1.997 0.000 -4.973) 5.359 16.298 ( -18.408 0.000 16.370) 24.634 16.916 ( -13.508 0.000 -4.370) 14.197 36.735 ( 8.007 0.000 3.753) 8.843 37.094 ( 6.583 0.000 -7.031) 9.632 39.806 ( 2.563 0.000 9.830) 10.158 40.448 ( -3.809 0.000 -8.480) 9.296 53.988 ( -26.983 0.000 5.695) 27.577 54.012 ( -40.867 0.000 12.203) 42.650 ======================= Grid point 499 (149/240) ======================= q-point: ( 0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.879 ( 15.716 0.000 12.964) 20.373 2.979 ( 10.528 0.000 16.587) 19.646 3.548 ( 6.892 0.000 -2.708) 7.405 3.945 ( 1.658 0.000 -9.115) 9.265 5.593 ( 35.932 0.000 17.132) 39.807 6.002 ( 27.897 0.000 5.381) 28.411 7.878 ( -2.601 0.000 7.047) 7.511 8.106 ( -8.854 0.000 -1.236) 8.940 10.086 ( 3.443 0.000 -9.507) 10.112 10.330 ( 5.004 0.000 -14.594) 15.428 11.882 ( 16.922 0.000 0.860) 16.944 12.046 ( 9.060 0.000 -7.055) 11.483 12.661 ( 5.625 0.000 -1.003) 5.714 13.032 ( 3.341 0.000 -8.574) 9.202 14.924 ( 8.434 0.000 1.652) 8.595 14.987 ( -1.465 0.000 -0.223) 1.482 15.939 ( -16.629 0.000 16.858) 23.679 16.625 ( -15.008 0.000 -5.535) 15.996 36.904 ( 8.507 0.000 2.579) 8.889 37.220 ( 5.655 0.000 -6.720) 8.782 39.863 ( 3.067 0.000 8.481) 9.019 40.368 ( -3.962 0.000 -6.175) 7.336 53.279 ( -31.346 0.000 11.596) 33.422 53.436 ( -26.741 0.000 2.499) 26.858 ======================= Grid point 500 (150/240) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( 10.038 0.000 12.151) 15.761 3.189 ( 14.346 0.000 8.407) 16.628 3.670 ( 5.091 0.000 -0.511) 5.117 3.931 ( -2.388 0.000 -5.204) 5.726 6.262 ( 29.151 0.000 13.119) 31.967 6.519 ( 21.894 0.000 5.263) 22.517 7.856 ( 0.564 0.000 3.514) 3.559 7.970 ( -4.578 0.000 -3.836) 5.972 10.141 ( 2.182 0.000 -11.330) 11.538 10.366 ( -0.740 0.000 -18.492) 18.506 12.200 ( 13.815 0.000 1.822) 13.935 12.256 ( 10.655 0.000 -1.512) 10.762 12.771 ( 5.429 0.000 -3.485) 6.451 13.077 ( 1.101 0.000 -10.532) 10.589 14.969 ( -0.223 0.000 4.051) 4.058 15.083 ( 7.114 0.000 0.391) 7.125 15.640 ( -12.488 0.000 15.599) 19.982 16.319 ( -14.946 0.000 -5.949) 16.086 37.071 ( 7.825 0.000 1.126) 7.906 37.317 ( 3.811 0.000 -5.973) 7.085 39.929 ( 3.358 0.000 6.944) 7.714 40.289 ( -3.853 0.000 -3.708) 5.347 52.744 ( -21.559 0.000 8.532) 23.186 52.932 ( -22.554 0.000 0.670) 22.564 ======================= Grid point 501 (151/240) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.379 ( 8.737 0.000 7.618) 11.591 3.441 ( 10.070 0.000 4.248) 10.929 3.750 ( 2.667 0.000 1.585) 3.102 3.865 ( -3.762 0.000 -0.615) 3.812 6.741 ( 17.617 0.000 8.946) 19.758 6.860 ( 11.665 0.000 4.587) 12.535 7.895 ( 2.760 0.000 0.762) 2.863 7.920 ( -0.418 0.000 -4.341) 4.361 10.181 ( 1.931 0.000 -13.032) 13.174 10.327 ( -2.619 0.000 -18.847) 19.029 12.427 ( 8.489 0.000 2.384) 8.817 12.445 ( 7.495 0.000 1.637) 7.671 12.879 ( 5.101 0.000 -5.778) 7.707 13.078 ( -0.957 0.000 -11.311) 11.351 14.982 ( 1.595 0.000 6.987) 7.167 15.183 ( 1.050 0.000 2.524) 2.734 15.473 ( -2.122 0.000 10.011) 10.233 16.027 ( -13.714 0.000 -5.254) 14.686 37.215 ( 6.199 0.000 -0.484) 6.218 37.371 ( 1.380 0.000 -4.920) 5.110 39.998 ( 3.474 0.000 5.232) 6.280 40.213 ( -3.666 0.000 -1.213) 3.862 52.405 ( -11.917 0.000 5.293) 13.039 52.541 ( -15.625 0.000 0.214) 15.627 ======================= Grid point 502 (152/240) ======================= q-point: ( 0.47 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.531 ( 5.775 0.000 2.800) 6.418 3.575 ( 2.441 0.000 0.572) 2.508 3.778 ( 0.363 0.000 4.107) 4.123 3.796 ( -2.389 0.000 4.389) 4.997 6.974 ( 5.880 0.000 4.951) 7.687 7.002 ( 2.767 0.000 3.659) 4.588 7.936 ( 1.237 0.000 -2.475) 2.767 7.941 ( 1.193 0.000 -0.726) 1.397 10.222 ( 2.214 0.000 -14.986) 15.149 10.272 ( -2.658 0.000 -17.183) 17.388 12.544 ( 3.010 0.000 2.618) 3.989 12.548 ( 2.523 0.000 2.697) 3.693 12.972 ( 3.982 0.000 -7.991) 8.928 13.040 ( -2.716 0.000 -10.215) 10.570 15.034 ( 3.566 0.000 8.446) 9.168 15.122 ( -4.820 0.000 8.219) 9.528 15.560 ( 8.517 0.000 0.542) 8.534 15.769 ( -11.713 0.000 -3.282) 12.164 37.318 ( 3.927 0.000 -2.107) 4.456 37.371 ( -1.304 0.000 -3.615) 3.843 40.069 ( 3.497 0.000 3.314) 4.818 40.140 ( -3.538 0.000 1.159) 3.723 52.261 ( -2.318 0.000 2.680) 3.543 52.310 ( -7.049 0.000 0.942) 7.111 ======================= Grid point 510 (153/240) ======================= q-point: ( 0.00 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 0.000 7.495 20.909) 22.211 2.184 ( 0.000 -4.290 27.529) 27.862 2.737 ( 0.000 1.101 -9.629) 9.692 3.240 ( 0.000 7.086 1.216) 7.190 4.095 ( 0.000 15.555 26.484) 30.714 5.115 ( 0.000 13.048 0.296) 13.051 8.213 ( 0.000 -6.605 14.488) 15.923 9.075 ( 0.000 -3.004 2.710) 4.046 9.300 ( 0.000 -0.062 -3.668) 3.669 9.341 ( 0.000 -14.799 -19.149) 24.201 11.546 ( 0.000 1.068 9.898) 9.955 11.727 ( 0.000 -0.623 12.247) 12.262 12.162 ( 0.000 -1.044 -7.960) 8.028 12.639 ( 0.000 8.762 -16.750) 18.903 14.337 ( 0.000 -1.722 10.495) 10.635 15.169 ( 0.000 5.818 -13.655) 14.843 16.927 ( 0.000 -10.904 12.184) 16.351 17.488 ( 0.000 6.477 -6.943) 9.495 36.465 ( 0.000 1.168 4.998) 5.132 36.812 ( 0.000 -0.186 -4.979) 4.983 39.774 ( 0.000 4.588 8.912) 10.024 40.566 ( 0.000 -2.489 -12.348) 12.596 54.822 ( 0.000 -6.984 24.317) 25.300 56.748 ( 0.000 44.451 -41.977) 61.139 ======================= Grid point 511 (154/240) ======================= q-point: ( 0.07 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 21.410 6.070 19.455) 29.559 2.217 ( 4.734 -2.710 25.477) 26.054 2.965 ( 20.374 0.569 -9.171) 22.350 3.233 ( -0.076 5.877 -0.989) 5.960 4.161 ( 6.971 15.070 26.855) 31.573 5.126 ( 1.452 12.004 1.117) 12.143 8.145 ( -5.714 -6.031 12.975) 15.407 8.913 ( -13.724 -4.114 -3.626) 14.779 9.386 ( 12.541 -7.320 -3.908) 15.038 9.557 ( 13.644 -4.035 -8.519) 16.584 11.391 ( -6.512 3.019 8.663) 11.251 11.947 ( 11.024 -4.060 7.652) 14.020 12.152 ( 1.409 2.805 -9.594) 10.095 12.691 ( 4.473 5.164 -13.479) 15.111 14.383 ( 4.378 -2.694 9.545) 10.841 15.157 ( -1.159 5.714 -12.826) 14.089 16.834 ( -8.983 -9.530 13.318) 18.679 17.415 ( -6.853 6.016 -6.330) 11.101 36.502 ( 3.523 1.250 4.858) 6.130 36.852 ( 3.871 -0.309 -5.397) 6.649 39.780 ( 0.569 4.236 8.925) 9.896 40.548 ( -1.770 -2.356 -11.774) 12.137 54.688 ( -12.955 -6.332 23.153) 27.277 56.359 ( -35.491 44.001 -31.608) 64.767 ======================= Grid point 512 (155/240) ======================= q-point: ( 0.13 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 8.677 -3.265 22.224) 24.080 2.556 ( 21.337 8.382 18.782) 29.636 3.260 ( 4.348 2.330 -4.642) 6.774 3.455 ( 24.071 0.524 -10.799) 26.387 4.415 ( 19.153 12.442 25.721) 34.398 5.208 ( 7.825 8.606 3.484) 12.142 8.023 ( -5.668 -4.566 10.190) 12.523 8.607 ( -15.558 -3.335 -2.616) 16.125 9.676 ( 13.296 -7.477 -2.905) 15.529 9.868 ( 17.207 0.402 -5.475) 18.061 11.364 ( 4.049 2.001 4.246) 6.199 12.007 ( -1.222 3.856 -9.227) 10.075 12.322 ( 11.549 -0.955 -0.398) 11.595 12.795 ( 5.455 -0.175 -8.733) 10.299 14.502 ( 7.025 -5.100 7.364) 11.384 15.126 ( -1.813 5.474 -10.496) 11.976 16.585 ( -14.831 -6.299 15.712) 22.505 17.227 ( -11.384 4.945 -5.677) 13.649 36.604 ( 6.387 1.460 4.431) 7.910 36.958 ( 6.217 -0.415 -6.093) 8.714 39.798 ( 1.237 3.337 8.819) 9.510 40.498 ( -3.017 -2.055 -10.312) 10.939 54.319 ( -22.669 -4.113 20.291) 30.700 55.479 ( -47.412 40.710 -14.545) 64.162 ======================= Grid point 513 (156/240) ======================= q-point: ( 0.20 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 13.185 -3.937 17.821) 22.515 2.886 ( 11.907 10.256 18.072) 23.949 3.387 ( 7.399 -0.658 -5.810) 9.431 3.849 ( 13.265 2.704 -10.502) 17.134 4.937 ( 31.124 6.923 20.980) 38.168 5.488 ( 20.128 2.567 5.726) 21.084 7.927 ( -3.661 -2.489 6.944) 8.235 8.308 ( -13.519 -2.754 -1.212) 13.850 9.877 ( 6.782 -6.206 -3.105) 9.703 10.222 ( 16.291 3.795 -8.271) 18.660 11.543 ( 12.830 -0.915 1.506) 12.950 12.004 ( 1.722 6.830 -11.371) 13.376 12.531 ( 8.891 -0.093 -1.199) 8.972 12.904 ( 5.233 -3.115 -6.399) 8.833 14.650 ( 7.210 -7.794 5.274) 11.855 15.090 ( -1.483 5.178 -7.207) 8.997 16.262 ( -16.488 -2.816 17.427) 24.155 16.967 ( -13.989 4.129 -5.786) 15.691 36.753 ( 8.142 1.724 3.695) 9.106 37.092 ( 6.805 -0.186 -6.352) 9.310 39.830 ( 1.936 2.218 8.383) 8.885 40.430 ( -3.661 -1.743 -8.354) 9.286 53.807 ( -26.948 0.082 16.798) 31.755 54.551 ( -42.846 33.681 -5.175) 54.744 ======================= Grid point 514 (157/240) ======================= q-point: ( 0.27 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 15.429 -4.375 13.174) 20.754 3.092 ( 9.305 8.252 14.154) 18.842 3.528 ( 6.259 -1.583 -2.453) 6.906 3.997 ( 2.423 5.005 -8.202) 9.909 5.604 ( 33.088 0.973 16.148) 36.831 5.974 ( 25.824 -2.980 5.903) 26.657 7.877 ( -1.383 -0.161 3.657) 3.914 8.070 ( -9.858 -3.657 -1.581) 10.632 9.971 ( 2.976 -5.661 -4.504) 7.822 10.481 ( 8.775 9.211 -14.462) 19.261 11.838 ( 15.156 -4.000 1.380) 15.735 12.095 ( 7.391 4.797 -7.595) 11.633 12.686 ( 6.567 2.068 -2.568) 7.348 13.006 ( 4.825 -2.275 -7.092) 8.874 14.780 ( 5.215 -9.433 4.286) 11.599 15.076 ( 0.428 4.132 -4.138) 5.863 15.939 ( -14.903 0.449 17.669) 23.120 16.670 ( -15.099 3.893 -6.088) 16.739 36.924 ( 8.604 1.962 2.648) 9.213 37.224 ( 6.017 0.379 -6.061) 8.549 39.876 ( 2.536 1.150 7.564) 8.061 40.353 ( -3.853 -1.495 -6.096) 7.365 53.269 ( -25.203 5.172 13.036) 28.842 53.769 ( -34.319 25.710 -2.299) 42.943 ======================= Grid point 515 (158/240) ======================= q-point: ( 0.33 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( 14.334 -3.914 9.077) 17.412 3.275 ( 8.678 4.774 9.811) 13.942 3.637 ( 4.467 -2.492 0.342) 5.126 3.991 ( -2.250 5.551 -4.722) 7.627 6.222 ( 26.912 -3.989 12.410) 29.903 6.461 ( 20.976 -6.063 5.552) 22.529 7.863 ( -0.709 0.715 1.550) 1.848 7.923 ( -3.839 -4.509 -3.441) 6.849 10.014 ( 1.513 -5.590 -6.325) 8.576 10.582 ( 1.823 14.188 -19.614) 24.276 12.117 ( 11.877 -6.044 2.819) 13.621 12.287 ( 10.745 1.716 -3.477) 11.423 12.806 ( 5.458 2.922 -3.704) 7.214 13.092 ( 3.397 1.400 -9.144) 9.855 14.855 ( 2.340 -8.220 5.307) 10.060 15.114 ( 3.020 0.228 -2.915) 4.204 15.677 ( -10.541 3.917 16.432) 19.911 16.365 ( -14.861 4.026 -5.876) 16.480 37.093 ( 7.830 2.080 1.349) 8.213 37.329 ( 4.241 1.139 -5.371) 6.937 39.932 ( 2.957 0.271 6.409) 7.063 40.276 ( -3.772 -1.311 -3.660) 5.417 52.816 ( -19.103 8.973 9.209) 23.027 53.160 ( -25.782 20.020 -1.451) 32.675 ======================= Grid point 516 (159/240) ======================= q-point: ( 0.40 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.369 ( 10.642 -1.812 5.638) 12.178 3.438 ( 7.238 0.336 5.041) 8.827 3.707 ( 2.381 -2.913 3.011) 4.818 3.925 ( -3.944 4.938 -0.828) 6.374 6.665 ( 16.424 -7.296 9.061) 20.126 6.791 ( 11.436 -7.249 5.116) 14.474 7.836 ( -0.527 -5.255 -0.553) 5.310 7.921 ( 1.807 0.061 -3.624) 4.050 10.038 ( 0.953 -5.565 -7.973) 9.770 10.583 ( -1.046 16.516 -21.509) 27.139 12.313 ( 7.425 -6.321 4.708) 10.828 12.491 ( 8.555 0.325 -1.820) 8.753 12.911 ( 5.075 3.056 -5.408) 8.022 13.132 ( 0.250 4.562 -10.126) 11.109 14.888 ( 1.287 -7.003 7.510) 10.349 15.168 ( 1.407 -3.100 -1.293) 3.642 15.541 ( -2.018 6.704 11.789) 13.711 16.077 ( -13.393 4.396 -4.674) 14.850 37.234 ( 5.999 1.946 -0.088) 6.308 37.392 ( 1.885 2.001 -4.406) 5.193 39.994 ( 3.194 -0.379 4.953) 5.906 40.201 ( -3.585 -1.154 -1.203) 3.954 52.509 ( -11.007 11.052 5.807) 16.644 52.727 ( -16.846 17.040 -0.635) 23.970 ======================= Grid point 517 (160/240) ======================= q-point: ( 0.47 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.527 ( 4.430 -0.971 2.018) 4.964 3.553 ( 3.463 -1.969 0.849) 4.073 3.738 ( 0.942 -1.869 5.867) 6.229 3.846 ( -3.153 3.389 3.276) 5.671 6.880 ( 4.985 -8.215 5.642) 11.142 6.936 ( 3.407 -7.799 5.380) 10.068 7.845 ( 0.714 -7.193 -0.178) 7.230 7.955 ( 1.085 0.246 -4.156) 4.302 10.052 ( 0.377 -5.535 -9.042) 10.608 10.562 ( -0.739 17.092 -21.588) 27.545 12.415 ( 2.572 -5.881 5.975) 8.769 12.612 ( 3.145 0.101 -1.530) 3.499 13.013 ( 4.871 3.792 -7.668) 9.844 13.100 ( -3.223 5.341 -9.269) 11.173 14.909 ( 0.665 -7.738 9.140) 11.994 15.165 ( -0.809 -0.594 2.743) 2.921 15.591 ( 5.326 4.389 3.598) 7.783 15.837 ( -9.431 5.648 -2.262) 11.224 37.328 ( 2.888 1.269 -1.435) 3.466 37.407 ( -0.155 3.087 -3.324) 4.539 40.060 ( 3.230 -0.865 3.205) 4.632 40.131 ( -3.337 -0.924 1.103) 3.634 52.370 ( -2.910 11.824 3.264) 12.606 52.487 ( -6.530 15.967 0.531) 17.259 ======================= Grid point 525 (161/240) ======================= q-point: ( 0.00 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 0.000 11.889 16.717) 20.513 2.164 ( 0.000 3.041 23.064) 23.264 2.765 ( 0.000 1.616 -7.938) 8.101 3.316 ( 0.000 0.511 -10.524) 10.537 4.548 ( 0.000 27.798 30.438) 41.221 5.462 ( 0.000 20.390 3.296) 20.655 8.064 ( 0.000 -7.538 10.279) 12.746 8.987 ( 0.000 -19.011 -17.681) 25.962 9.002 ( 0.000 -4.017 3.853) 5.566 9.288 ( 0.000 -1.240 -4.320) 4.495 11.576 ( 0.000 1.872 8.740) 8.938 11.712 ( 0.000 -1.071 14.634) 14.673 12.133 ( 0.000 -1.808 -7.341) 7.560 12.793 ( 0.000 5.361 -18.463) 19.226 14.294 ( 0.000 -2.427 14.246) 14.452 15.308 ( 0.000 7.439 -15.073) 16.808 16.724 ( 0.000 -9.006 15.830) 18.212 17.572 ( 0.000 1.748 -12.252) 12.376 36.498 ( 0.000 2.066 4.416) 4.876 36.806 ( 0.000 -0.415 -4.442) 4.461 39.875 ( 0.000 4.951 3.792) 6.237 40.499 ( 0.000 -4.077 -11.507) 12.208 54.864 ( 0.000 11.105 27.644) 29.791 57.552 ( 0.000 31.094 -64.347) 71.466 ======================= Grid point 526 (162/240) ======================= q-point: ( 0.07 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 7.086 5.950 19.552) 21.631 2.248 ( 18.329 7.596 17.776) 26.639 2.984 ( 19.951 1.204 -7.728) 21.430 3.298 ( -1.446 0.436 -10.471) 10.579 4.586 ( 4.181 25.858 29.312) 39.310 5.447 ( -1.162 18.953 3.872) 19.379 8.011 ( -4.268 -6.576 8.798) 11.784 8.754 ( -13.351 -11.539 -10.691) 20.633 9.220 ( 14.484 -7.665 0.079) 16.387 9.488 ( 15.570 -3.162 -5.509) 16.816 11.464 ( -5.407 3.784 9.803) 11.818 11.878 ( 10.468 -3.130 11.180) 15.632 12.171 ( 3.940 -0.487 -8.608) 9.479 12.793 ( 0.043 3.996 -17.005) 17.468 14.318 ( 2.360 -3.469 13.524) 14.160 15.292 ( -1.536 7.179 -14.538) 16.287 16.653 ( -6.766 -8.002 16.263) 19.347 17.498 ( -6.995 1.960 -11.357) 13.482 36.537 ( 3.720 2.181 4.321) 6.105 36.844 ( 3.710 -0.487 -4.586) 5.919 39.874 ( -0.064 4.686 4.087) 6.219 40.484 ( -1.484 -3.916 -11.050) 11.817 54.745 ( -11.482 11.721 26.276) 30.978 57.173 ( -35.201 32.803 -54.577) 72.759 ======================= Grid point 527 (163/240) ======================= q-point: ( 0.13 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 7.060 1.742 18.958) 20.305 2.748 ( 24.460 10.537 14.805) 30.472 3.282 ( 0.928 -0.521 -10.026) 10.083 3.474 ( 25.578 1.322 -8.006) 26.834 4.747 ( 12.605 19.643 25.488) 34.559 5.442 ( 1.628 14.061 5.541) 15.201 7.925 ( -3.770 -4.856 5.840) 8.479 8.478 ( -13.592 -8.818 -9.006) 18.537 9.545 ( 15.772 -5.517 1.557) 16.782 9.846 ( 19.416 -2.158 -4.932) 20.149 11.418 ( 1.311 3.054 7.478) 8.183 12.058 ( 6.611 0.346 3.919) 7.694 12.304 ( 9.281 -0.516 -8.558) 12.635 12.801 ( 0.965 0.688 -12.622) 12.678 14.385 ( 4.151 -5.974 11.632) 13.720 15.250 ( -2.554 6.374 -13.075) 14.768 16.464 ( -11.395 -5.327 17.246) 21.346 17.305 ( -11.652 2.348 -9.623) 15.294 36.644 ( 6.714 2.495 4.033) 8.220 36.948 ( 6.297 -0.499 -4.811) 7.940 39.875 ( 0.166 3.930 4.731) 6.153 40.441 ( -2.622 -3.532 -9.808) 10.749 54.420 ( -19.834 13.411 22.732) 33.015 56.268 ( -50.559 34.510 -35.300) 70.662 ======================= Grid point 528 (164/240) ======================= q-point: ( 0.20 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 11.722 -0.634 15.372) 19.342 3.107 ( 10.075 10.259 10.859) 18.019 3.372 ( 8.002 0.128 -4.231) 9.052 3.924 ( 16.979 4.412 -7.765) 19.185 5.112 ( 22.910 9.874 19.125) 31.434 5.558 ( 10.839 4.348 7.490) 13.875 7.868 ( -1.810 -3.526 2.609) 4.745 8.214 ( -12.253 -5.770 -6.512) 15.028 9.804 ( 9.423 -1.379 2.828) 9.935 10.253 ( 19.896 -0.411 -6.782) 21.025 11.521 ( 8.593 -1.194 4.794) 9.912 12.154 ( 3.552 6.869 -5.083) 9.254 12.519 ( 10.938 -1.127 -7.329) 13.215 12.845 ( 3.789 -2.080 -6.811) 8.067 14.481 ( 5.118 -8.391 9.231) 13.484 15.193 ( -2.930 4.801 -11.000) 12.355 16.214 ( -12.753 -1.692 18.008) 22.131 17.042 ( -13.976 2.797 -8.201) 16.444 36.800 ( 8.499 2.917 3.534) 9.656 37.089 ( 7.315 -0.145 -4.798) 8.750 39.883 ( 0.706 2.822 5.270) 6.020 40.381 ( -3.298 -3.093 -8.015) 9.202 53.975 ( -23.307 15.729 18.213) 33.502 55.243 ( -48.651 33.016 -19.744) 62.022 ======================= Grid point 529 (165/240) ======================= q-point: ( 0.27 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( 14.518 -2.806 11.545) 18.760 3.243 ( 5.343 4.418 4.009) 8.009 3.530 ( 6.338 4.097 5.001) 9.053 4.133 ( 4.185 8.234 -6.330) 11.198 5.621 ( 25.783 0.349 13.796) 29.244 5.877 ( 19.274 -6.721 7.626) 21.790 7.848 ( -0.492 -3.932 -0.270) 3.971 7.993 ( -9.083 -2.065 -4.147) 10.196 9.936 ( 4.128 1.984 2.775) 5.356 10.611 ( 14.606 3.486 -11.727) 19.053 11.740 ( 12.273 -5.396 3.827) 13.942 12.226 ( 4.132 7.636 -8.146) 11.905 12.716 ( 8.156 0.292 -6.408) 10.376 12.964 ( 7.768 -1.302 -4.736) 9.190 14.588 ( 5.370 -9.126 7.020) 12.704 15.134 ( -2.841 1.927 -8.513) 9.179 15.969 ( -10.959 2.429 17.724) 20.979 16.749 ( -14.743 3.445 -7.063) 16.706 36.979 ( 8.878 3.320 2.813) 9.887 37.234 ( 6.861 0.628 -4.444) 8.198 39.904 ( 1.376 1.576 5.410) 5.800 40.310 ( -3.566 -2.703 -5.857) 7.371 53.510 ( -21.917 18.083 13.743) 31.562 54.344 ( -39.700 29.717 -10.566) 50.703 ======================= Grid point 530 (166/240) ======================= q-point: ( 0.33 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.031 ( 14.519 -4.081 7.900) 17.026 3.347 ( 4.901 0.724 2.337) 5.478 3.627 ( 3.553 3.491 7.649) 9.128 4.136 ( -2.856 8.713 -3.677) 9.879 6.107 ( 21.325 -7.493 10.678) 24.998 6.268 ( 17.866 -13.210 6.799) 23.236 7.794 ( -5.159 -6.837 -1.139) 8.640 7.903 ( 0.477 2.486 -3.582) 4.386 9.992 ( 1.781 3.343 1.094) 3.943 10.825 ( 6.541 9.172 -17.888) 21.140 11.989 ( 11.765 -6.547 4.693) 14.258 12.336 ( 6.680 3.507 -6.302) 9.831 12.857 ( 6.106 1.495 -4.985) 8.023 13.127 ( 7.312 2.000 -7.035) 10.342 14.691 ( 4.551 -7.555 5.761) 10.535 15.084 ( -1.831 -2.301 -5.695) 6.409 15.787 ( -6.767 6.398 15.616) 18.182 16.453 ( -14.333 4.258 -5.665) 15.989 37.151 ( 7.894 3.563 1.899) 8.866 37.359 ( 5.247 1.681 -3.810) 6.699 39.939 ( 2.001 0.397 5.055) 5.451 40.238 ( -3.540 -2.377 -3.505) 5.519 53.112 ( -16.867 20.010 9.832) 27.957 53.645 ( -29.219 26.774 -5.394) 39.996 ======================= Grid point 531 (167/240) ======================= q-point: ( 0.40 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.302 ( 11.651 -4.443 4.481) 13.250 3.437 ( 3.892 -1.720 1.428) 4.488 3.684 ( 2.341 1.915 8.539) 9.059 4.045 ( -5.637 6.971 -0.665) 8.990 6.462 ( 13.567 -12.775 8.931) 20.664 6.560 ( 10.475 -15.805 6.457) 20.030 7.710 ( -2.659 -6.390 0.201) 6.924 7.936 ( 2.059 1.605 -5.098) 5.727 10.018 ( 0.943 3.559 -1.133) 3.853 10.894 ( 1.000 13.579 -22.014) 25.885 12.201 ( 8.773 -5.001 6.626) 12.078 12.478 ( 6.531 -0.903 -3.716) 7.568 12.972 ( 5.480 2.272 -6.411) 8.735 13.231 ( 2.537 4.854 -8.840) 10.399 14.759 ( 1.990 -5.276 6.373) 8.510 15.071 ( 0.648 -5.491 -3.501) 6.544 15.704 ( -1.321 8.575 11.516) 14.419 16.177 ( -12.646 5.149 -3.537) 14.105 37.290 ( 5.698 3.513 0.885) 6.752 37.442 ( 2.948 2.821 -3.007) 5.069 39.984 ( 2.473 -0.588 4.200) 4.910 40.168 ( -3.339 -2.067 -1.155) 4.093 52.841 ( -9.717 21.378 6.604) 24.394 53.161 ( -18.586 24.937 -2.086) 31.171 ======================= Grid point 532 (168/240) ======================= q-point: ( 0.47 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.462 ( 3.061 -4.927 1.820) 6.079 3.512 ( 3.512 -2.781 0.674) 4.530 3.732 ( 2.372 1.674 8.159) 8.660 3.930 ( -4.769 4.977 2.758) 7.424 6.654 ( 5.410 -14.983 7.655) 17.673 6.687 ( 2.258 -16.351 6.954) 17.911 7.682 ( -0.465 -7.689 1.040) 7.773 7.970 ( 0.985 1.366 -6.046) 6.276 10.032 ( 0.351 3.479 -2.705) 4.421 10.896 ( -0.281 15.481 -23.466) 28.114 12.329 ( 3.460 -2.992 8.606) 9.746 12.572 ( 2.418 -3.474 -2.637) 4.987 13.075 ( 4.012 1.847 -9.553) 10.525 13.234 ( -1.459 7.189 -8.649) 11.341 14.778 ( 0.273 -4.841 7.789) 9.175 15.094 ( 0.930 -5.203 -2.434) 5.819 15.727 ( 2.860 8.092 6.666) 10.867 15.960 ( -7.766 6.216 -0.635) 9.967 37.373 ( 2.240 3.157 0.030) 3.871 37.479 ( 0.767 3.797 -2.271) 4.490 40.037 ( 2.570 -1.378 2.886) 4.103 40.104 ( -2.843 -1.648 0.966) 3.425 52.720 ( -2.507 22.201 4.180) 22.730 52.898 ( -7.023 24.018 0.230) 25.025 ======================= Grid point 540 (169/240) ======================= q-point: ( 0.00 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 0.000 12.606 12.032) 17.427 2.302 ( 0.000 10.146 14.797) 17.941 2.794 ( 0.000 1.115 -5.521) 5.632 3.282 ( 0.000 -3.446 -13.259) 13.700 5.127 ( 0.000 28.764 28.030) 40.163 5.874 ( 0.000 19.491 6.286) 20.480 7.935 ( 0.000 -5.095 6.228) 8.046 8.632 ( 0.000 -15.739 -16.238) 22.614 8.925 ( 0.000 -3.520 4.716) 5.885 9.251 ( 0.000 -2.339 -4.611) 5.170 11.618 ( 0.000 2.181 7.205) 7.528 11.681 ( 0.000 -1.919 17.047) 17.155 12.093 ( 0.000 -2.081 -6.461) 6.788 12.833 ( 0.000 -1.269 -16.179) 16.229 14.248 ( 0.000 -2.038 18.794) 18.904 15.449 ( 0.000 6.494 -15.874) 17.151 16.570 ( 0.000 -6.502 14.802) 16.168 17.570 ( 0.000 -1.405 -15.741) 15.804 36.545 ( 0.000 2.480 3.564) 4.342 36.795 ( 0.000 -0.686 -3.644) 3.708 39.961 ( 0.000 3.638 -0.084) 3.639 40.411 ( 0.000 -4.607 -10.703) 11.653 55.230 ( 0.000 24.578 20.719) 32.146 57.903 ( 0.000 3.854 -66.367) 66.479 ======================= Grid point 541 (170/240) ======================= q-point: ( 0.07 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 1.357 9.353 14.373) 17.202 2.454 ( 21.063 11.226 11.159) 26.347 3.005 ( 19.384 0.709 -5.464) 20.152 3.265 ( -1.432 -3.336 -12.869) 13.371 5.125 ( 0.143 26.845 27.089) 38.137 5.831 ( -3.973 18.258 6.665) 19.839 7.899 ( -2.986 -4.525 5.317) 7.594 8.506 ( -9.469 -11.795 -13.762) 20.449 9.096 ( 14.626 -4.989 3.605) 15.868 9.422 ( 14.967 -3.396 -5.043) 16.155 11.529 ( -4.329 2.519 11.492) 12.536 11.818 ( 9.114 -2.806 11.392) 14.857 12.151 ( 5.556 -1.176 -6.750) 8.821 12.824 ( -0.890 -1.123 -15.933) 15.998 14.256 ( 0.858 -2.549 18.066) 18.265 15.428 ( -2.076 6.229 -15.693) 17.012 16.517 ( -5.093 -5.756 15.070) 16.917 17.502 ( -6.500 -1.121 -14.837) 16.237 36.585 ( 3.938 2.583 3.541) 5.892 36.833 ( 3.689 -0.668 -3.605) 5.201 39.957 ( -0.430 3.523 0.266) 3.559 40.398 ( -1.216 -4.485 -10.312) 11.311 55.118 ( -10.855 24.586 19.775) 33.367 57.577 ( -30.618 7.267 -59.190) 67.035 ======================= Grid point 542 (171/240) ======================= q-point: ( 0.13 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 4.300 6.754 13.110) 15.361 2.955 ( 24.428 9.336 9.380) 27.783 3.245 ( 1.191 -2.566 -10.932) 11.292 3.498 ( 26.796 0.768 -5.253) 27.317 5.156 ( 3.683 20.467 23.981) 31.742 5.733 ( -5.108 14.119 7.772) 16.907 7.836 ( -2.911 -3.991 3.566) 6.092 8.307 ( -9.703 -7.210 -12.029) 17.053 9.447 ( 18.512 -4.507 3.886) 19.445 9.791 ( 20.413 -3.278 -4.950) 21.259 11.472 ( -0.987 2.186 11.197) 11.451 12.021 ( 10.609 -3.446 7.734) 13.573 12.306 ( 9.355 0.657 -8.059) 12.365 12.805 ( -0.653 -0.916 -14.538) 14.581 14.285 ( 2.069 -3.749 15.968) 16.532 15.368 ( -3.743 5.381 -15.108) 16.469 16.376 ( -8.496 -3.696 15.748) 18.271 17.320 ( -10.992 -0.457 -12.713) 16.812 36.699 ( 7.099 2.874 3.458) 8.403 36.938 ( 6.491 -0.531 -3.442) 7.367 39.946 ( -0.563 3.146 1.146) 3.395 40.363 ( -2.214 -4.173 -9.201) 10.343 54.811 ( -18.758 24.608 17.347) 35.473 56.763 ( -46.920 14.110 -43.171) 65.302 ======================= Grid point 543 (172/240) ======================= q-point: ( 0.20 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 8.624 3.256 11.138) 14.457 3.183 ( 2.007 -2.651 -7.169) 7.902 3.485 ( 17.077 10.706 9.008) 22.077 4.007 ( 21.563 3.507 -5.442) 22.514 5.304 ( 11.295 8.903 18.318) 23.289 5.659 ( -1.076 5.674 9.345) 10.986 7.785 ( -2.202 -4.449 2.060) 5.375 8.126 ( -7.849 -2.441 -10.336) 13.205 9.791 ( 14.517 -0.607 5.080) 15.392 10.221 ( 21.407 -2.565 -5.701) 22.301 11.501 ( 4.055 -0.683 9.496) 10.348 12.225 ( 8.773 -0.493 2.233) 9.066 12.511 ( 10.311 1.196 -10.545) 14.797 12.821 ( 3.146 -1.026 -9.913) 10.451 14.344 ( 3.813 -4.851 12.788) 14.199 15.279 ( -4.988 3.878 -13.875) 15.246 16.192 ( -9.161 -0.753 16.306) 18.718 17.072 ( -13.174 0.387 -10.310) 16.734 36.864 ( 8.944 3.287 3.276) 10.076 37.086 ( 7.882 -0.135 -3.085) 8.466 39.937 ( -0.303 2.473 2.176) 3.308 40.311 ( -2.875 -3.774 -7.521) 8.892 54.389 ( -22.059 24.659 14.314) 36.049 55.782 ( -47.972 19.478 -27.306) 58.534 ======================= Grid point 544 (173/240) ======================= q-point: ( 0.27 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( 11.998 -0.236 8.872) 14.924 3.226 ( 2.670 -4.499 -6.171) 8.090 3.728 ( 6.860 13.702 12.876) 20.015 4.307 ( 7.374 8.761 -4.554) 12.324 5.598 ( 16.578 -3.673 12.216) 20.917 5.727 ( 8.088 -6.787 9.903) 14.476 7.739 ( -2.590 -5.269 1.256) 6.004 8.002 ( -4.098 1.865 -8.499) 9.618 10.017 ( 7.852 5.158 6.085) 11.193 10.629 ( 18.241 -1.276 -8.488) 20.160 11.639 ( 9.357 -4.428 7.745) 12.928 12.355 ( 4.117 3.968 -5.142) 7.690 12.700 ( 8.285 -1.011 -9.638) 12.750 12.957 ( 9.792 0.028 -5.622) 11.292 14.441 ( 5.830 -5.066 9.058) 11.904 15.169 ( -5.791 1.901 -11.427) 12.951 16.022 ( -7.265 2.477 15.781) 17.549 16.798 ( -13.753 1.426 -7.947) 15.947 37.050 ( 9.247 3.707 2.960) 10.393 37.247 ( 7.755 0.560 -2.531) 8.177 39.936 ( 0.252 1.556 2.998) 3.387 40.249 ( -3.182 -3.362 -5.452) 7.152 53.949 ( -20.759 24.756 11.415) 34.265 54.878 ( -40.488 22.220 -15.584) 48.743 ======================= Grid point 545 (174/240) ======================= q-point: ( 0.33 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( 13.083 -2.888 6.600) 14.936 3.290 ( 3.556 -5.144 -3.376) 7.107 3.796 ( 0.841 12.211 13.486) 18.212 4.329 ( -3.941 10.277 -1.901) 11.169 5.923 ( 14.473 -11.465 8.706) 20.413 5.952 ( 12.634 -17.012 8.668) 22.894 7.678 ( -3.179 -3.942 1.312) 5.231 7.963 ( -0.078 3.177 -6.888) 7.586 10.124 ( 3.253 9.134 5.329) 11.064 10.935 ( 11.621 1.976 -13.201) 17.698 11.861 ( 11.993 -6.202 7.282) 15.340 12.416 ( 2.574 3.679 -6.325) 7.756 12.857 ( 7.253 -1.151 -7.723) 10.657 13.163 ( 9.391 1.291 -7.092) 11.839 14.573 ( 6.780 -3.989 5.697) 9.713 15.055 ( -5.050 -0.106 -7.692) 9.202 15.906 ( -4.086 5.147 13.674) 15.171 16.523 ( -13.253 2.631 -5.412) 14.555 37.228 ( 8.055 4.005 2.507) 9.339 37.391 ( 6.304 1.466 -1.845) 6.730 39.948 ( 0.927 0.525 3.373) 3.537 40.184 ( -3.182 -2.954 -3.206) 5.397 53.573 ( -15.938 24.904 8.930) 30.886 54.162 ( -30.043 23.422 -7.774) 38.880 ======================= Grid point 546 (175/240) ======================= q-point: ( 0.40 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.209 ( 10.869 -4.482 4.509) 12.592 3.364 ( 3.728 -4.755 -0.647) 6.077 3.794 ( -0.374 8.488 12.257) 14.914 4.198 ( -8.050 8.084 0.877) 11.442 6.159 ( 8.791 -17.935 7.914) 21.484 6.186 ( 9.462 -20.044 7.188) 23.301 7.622 ( -2.149 -1.642 2.176) 3.471 7.981 ( 1.425 2.541 -6.027) 6.695 10.167 ( 1.245 10.763 3.305) 11.328 11.098 ( 4.762 6.415 -18.113) 19.796 12.098 ( 10.814 -5.596 8.322) 14.749 12.467 ( 2.147 -0.383 -2.446) 3.277 12.992 ( 6.075 -0.028 -10.146) 11.826 13.307 ( 4.411 2.308 -9.517) 10.740 14.690 ( 4.072 -1.637 4.323) 6.160 14.987 ( -1.097 -2.229 -4.620) 5.246 15.859 ( -0.560 6.618 10.578) 12.490 16.269 ( -11.567 3.856 -2.416) 12.430 37.368 ( 5.572 4.087 1.969) 7.186 37.496 ( 3.949 2.399 -1.137) 4.758 39.973 ( 1.558 -0.476 3.178) 3.572 40.122 ( -2.938 -2.516 -1.023) 4.001 53.318 ( -9.032 25.090 6.755) 27.508 53.664 ( -19.086 24.013 -2.600) 30.784 ======================= Grid point 547 (176/240) ======================= q-point: ( 0.47 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.357 ( 3.151 -5.079 3.166) 6.764 3.442 ( 3.217 -3.889 1.315) 5.216 3.805 ( 1.508 5.445 9.756) 11.274 4.041 ( -6.038 5.944 3.594) 9.204 6.278 ( 2.892 -21.281 7.751) 22.833 6.316 ( 3.262 -20.758 6.724) 22.062 7.594 ( -0.667 -0.354 2.902) 2.999 8.006 ( 0.752 1.933 -5.645) 6.014 10.182 ( 0.359 11.193 1.649) 11.319 11.150 ( 0.968 9.382 -20.841) 22.875 12.270 ( 5.203 -3.606 10.790) 12.510 12.488 ( 0.026 -4.710 -0.677) 4.758 13.093 ( 3.241 0.384 -13.216) 13.613 13.347 ( 0.237 3.398 -10.975) 11.491 14.730 ( 0.482 0.124 5.381) 5.404 15.000 ( 1.200 -3.503 -4.170) 5.576 15.882 ( 2.373 6.955 7.263) 10.332 16.072 ( -6.952 4.811 0.888) 8.500 37.446 ( 2.034 3.993 1.530) 4.735 37.549 ( 1.291 3.073 -0.611) 3.388 40.009 ( 1.782 -1.350 2.403) 3.282 40.067 ( -2.241 -1.977 0.827) 3.101 53.208 ( -2.124 25.305 4.822) 25.848 53.393 ( -7.304 24.224 0.706) 25.311 ======================= Grid point 555 (177/240) ======================= q-point: ( 0.00 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 0.000 10.504 7.823) 13.097 2.536 ( 0.000 12.430 6.539) 14.045 2.802 ( 0.000 -0.527 -2.767) 2.817 3.189 ( 0.000 -5.785 -11.042) 12.465 5.655 ( 0.000 23.330 23.976) 33.453 6.189 ( 0.000 10.994 8.944) 14.173 7.863 ( 0.000 -2.191 3.749) 4.342 8.377 ( 0.000 -9.550 -14.409) 17.286 8.867 ( 0.000 -2.189 5.057) 5.510 9.202 ( 0.000 -2.383 -4.498) 5.090 11.643 ( 0.000 -1.695 18.658) 18.735 11.659 ( 0.000 1.825 5.749) 6.032 12.054 ( 0.000 -1.729 -5.556) 5.819 12.764 ( 0.000 -4.785 -12.525) 13.408 14.214 ( 0.000 -1.389 22.628) 22.671 15.565 ( 0.000 4.965 -16.628) 17.353 16.458 ( 0.000 -4.798 12.552) 13.438 17.536 ( 0.000 -1.548 -18.485) 18.549 36.593 ( 0.000 2.237 2.615) 3.441 36.779 ( 0.000 -0.869 -2.741) 2.876 40.023 ( 0.000 2.621 -2.651) 3.728 40.322 ( 0.000 -4.096 -10.033) 10.837 55.807 ( 0.000 32.249 6.492) 32.896 57.744 ( 0.000 -18.107 -54.433) 57.365 ======================= Grid point 556 (178/240) ======================= q-point: ( 0.07 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -0.270 11.570 6.872) 13.460 2.663 ( 18.822 9.248 6.644) 21.999 3.006 ( 18.799 -0.718 -2.882) 19.032 3.174 ( -0.972 -5.576 -10.617) 12.032 5.619 ( -3.313 21.863 23.607) 32.346 6.128 ( -5.762 10.559 9.221) 15.156 7.832 ( -2.691 -2.231 3.604) 5.021 8.315 ( -5.074 -7.039 -13.453) 16.009 9.015 ( 13.607 -3.084 4.646) 14.705 9.357 ( 14.213 -2.973 -4.832) 15.303 11.562 ( -3.747 0.966 14.317) 14.831 11.769 ( 7.051 -1.991 8.296) 11.068 12.134 ( 7.403 -0.483 -4.775) 8.822 12.761 ( -0.273 -4.402 -12.564) 13.316 14.218 ( 0.471 -1.359 21.685) 21.733 15.538 ( -2.572 4.734 -16.639) 17.490 16.417 ( -3.861 -4.267 12.755) 13.993 17.473 ( -6.092 -1.399 -17.589) 18.666 36.635 ( 4.103 2.301 2.665) 5.407 36.818 ( 3.779 -0.816 -2.604) 4.661 40.017 ( -0.577 2.583 -2.326) 3.524 40.311 ( -1.034 -4.028 -9.653) 10.511 55.687 ( -11.562 31.467 6.414) 34.132 57.490 ( -24.160 -14.595 -49.826) 57.266 ======================= Grid point 557 (179/240) ======================= q-point: ( 0.13 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 1.318 9.602 6.352) 11.588 3.052 ( 8.169 -1.580 -3.645) 9.084 3.237 ( 16.957 3.419 0.006) 17.298 3.499 ( 27.565 -0.616 -3.206) 27.757 5.536 ( -4.432 16.913 22.328) 28.359 5.970 ( -9.396 8.954 9.965) 16.363 7.770 ( -3.127 -2.481 3.367) 5.222 8.204 ( -5.460 -3.241 -12.417) 13.946 9.366 ( 19.776 -3.451 4.539) 20.581 9.723 ( 20.827 -3.175 -5.084) 21.672 11.504 ( -1.824 1.123 14.111) 14.273 11.943 ( 10.053 -3.898 5.194) 11.968 12.329 ( 11.358 1.649 -4.714) 12.408 12.756 ( -0.033 -3.628 -12.302) 12.826 14.238 ( 1.622 -1.208 18.893) 19.000 15.463 ( -4.733 4.084 -16.519) 17.662 16.311 ( -6.333 -2.820 13.311) 15.008 17.302 ( -10.380 -1.041 -15.251) 18.477 36.754 ( 7.402 2.485 2.787) 8.291 36.926 ( 6.748 -0.639 -2.204) 7.128 40.001 ( -0.924 2.432 -1.451) 2.978 40.281 ( -1.909 -3.838 -8.565) 9.578 55.361 ( -19.915 29.416 6.268) 36.072 56.832 ( -38.885 -6.442 -38.671) 55.218 ======================= Grid point 558 (180/240) ======================= q-point: ( 0.20 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 4.976 6.478 5.801) 10.019 3.083 ( 0.451 -6.435 -8.256) 10.477 3.695 ( 21.183 8.984 7.361) 24.158 4.055 ( 25.582 1.184 -3.965) 25.914 5.462 ( -2.366 6.844 19.731) 21.018 5.773 ( -9.154 5.271 10.701) 15.036 7.713 ( -2.472 -2.463 3.249) 4.768 8.105 ( -4.233 -0.291 -11.297) 12.068 9.772 ( 19.365 -1.173 4.832) 19.994 10.161 ( 21.642 -3.113 -5.259) 22.488 11.498 ( 1.462 0.371 13.202) 13.288 12.164 ( 11.209 -4.251 2.007) 12.155 12.561 ( 10.118 3.188 -7.418) 12.945 12.781 ( 3.759 -3.093 -10.038) 11.156 14.289 ( 3.616 -0.938 14.632) 15.101 15.351 ( -6.252 3.257 -15.751) 17.256 16.176 ( -6.583 -0.881 13.856) 15.366 17.068 ( -12.383 -0.539 -12.167) 17.369 36.926 ( 9.316 2.759 2.911) 10.143 37.082 ( 8.362 -0.314 -1.586) 8.516 39.982 ( -0.915 2.093 -0.274) 2.301 40.236 ( -2.511 -3.560 -6.906) 8.166 54.915 ( -23.302 26.787 6.216) 36.044 55.996 ( -41.908 2.074 -26.051) 49.389 ======================= Grid point 559 (181/240) ======================= q-point: ( 0.27 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 8.587 2.879 5.227) 10.457 3.110 ( 2.330 -6.523 -6.058) 9.202 4.007 ( 8.983 13.085 10.891) 19.249 4.462 ( 12.728 6.241 -3.748) 14.663 5.458 ( 2.411 -8.378 16.036) 18.252 5.652 ( -1.507 -1.782 9.601) 9.881 7.672 ( -1.507 -1.330 3.307) 3.870 8.038 ( -2.234 1.356 -9.636) 9.984 10.116 ( 14.009 4.463 5.325) 15.638 10.577 ( 18.994 -3.585 -6.128) 20.278 11.574 ( 6.305 -1.883 11.679) 13.405 12.365 ( 7.586 -2.255 -1.341) 8.027 12.699 ( 5.278 0.646 -10.950) 12.173 12.950 ( 11.402 -0.668 -7.141) 13.470 14.387 ( 6.049 -0.794 9.873) 11.606 15.216 ( -6.820 2.764 -13.615) 15.476 16.058 ( -4.913 0.992 13.656) 14.547 16.812 ( -12.723 0.188 -8.812) 15.477 37.120 ( 9.587 3.064 2.966) 10.492 37.254 ( 8.427 0.150 -0.830) 8.469 39.967 ( -0.568 1.534 0.895) 1.864 40.182 ( -2.788 -3.217 -4.882) 6.477 54.451 ( -21.801 24.271 6.300) 33.227 55.190 ( -36.753 8.611 -15.307) 40.734 ======================= Grid point 560 (182/240) ======================= q-point: ( 0.33 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( 10.576 -0.407 4.762) 11.606 3.176 ( 4.063 -5.812 -2.937) 7.675 4.072 ( -1.418 14.644 13.565) 20.012 4.531 ( -4.767 9.474 0.527) 10.619 5.574 ( 8.574 -18.141 10.848) 22.810 5.710 ( 5.711 -10.985 6.595) 14.028 7.653 ( -0.399 1.267 3.497) 3.741 8.014 ( -0.305 1.559 -7.430) 7.598 10.329 ( 7.201 10.783 5.341) 14.023 10.916 ( 14.203 -3.574 -8.396) 16.882 11.750 ( 10.630 -4.606 10.344) 15.531 12.452 ( 1.479 -0.343 -2.098) 2.590 12.834 ( 7.837 -0.626 -12.203) 14.516 13.172 ( 9.539 -0.370 -9.075) 13.171 14.529 ( 7.732 -0.736 5.769) 9.674 15.085 ( -5.818 2.853 -9.960) 11.883 15.983 ( -2.435 2.464 12.314) 12.792 16.559 ( -12.082 1.153 -5.292) 13.240 37.303 ( 8.262 3.322 2.909) 9.369 37.413 ( 7.058 0.693 -0.044) 7.092 39.961 ( 0.009 0.791 1.767) 1.936 40.125 ( -2.749 -2.807 -2.744) 4.792 54.056 ( -16.657 22.287 6.339) 28.537 54.533 ( -27.822 12.976 -7.308) 31.557 ======================= Grid point 561 (183/240) ======================= q-point: ( 0.40 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( 9.510 -2.685 4.495) 10.856 3.271 ( 5.127 -4.278 0.311) 6.685 4.001 ( -4.345 11.779 13.585) 18.498 4.355 ( -10.813 7.092 4.385) 13.655 5.750 ( 7.643 -19.984 7.070) 22.534 5.826 ( 4.962 -16.688 5.136) 18.152 7.654 ( 0.479 4.512 3.718) 5.866 8.019 ( 0.558 0.730 -5.133) 5.215 10.426 ( 2.851 14.615 4.430) 15.535 11.141 ( 7.962 -2.207 -11.536) 14.189 11.981 ( 11.466 -5.668 9.905) 16.177 12.448 ( -1.589 -1.614 0.805) 2.404 12.992 ( 7.229 0.395 -15.562) 17.163 13.315 ( 4.394 -1.317 -12.186) 13.021 14.681 ( 6.634 0.317 3.216) 7.379 14.993 ( -3.019 2.441 -5.991) 7.140 15.961 ( 0.306 3.534 10.057) 10.664 16.329 ( -10.515 2.150 -1.555) 10.844 37.445 ( 5.608 3.477 2.750) 7.149 37.533 ( 4.605 1.207 0.654) 4.805 39.967 ( 0.666 -0.037 2.125) 2.227 40.072 ( -2.429 -2.317 -0.768) 3.444 53.790 ( -9.435 20.952 5.986) 23.745 54.070 ( -17.826 15.677 -1.721) 23.801 ======================= Grid point 562 (184/240) ======================= q-point: ( 0.47 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.277 ( 3.803 -2.676 4.639) 6.568 3.366 ( 3.270 -3.524 2.635) 5.482 3.943 ( -0.802 8.136 11.765) 14.327 4.155 ( -7.152 5.031 6.530) 10.914 5.859 ( 2.851 -19.402 5.620) 20.400 5.894 ( 1.643 -19.858 4.864) 20.511 7.665 ( 0.383 6.806 3.826) 7.817 8.029 ( 0.312 -0.179 -3.568) 3.586 10.460 ( 0.738 16.093 3.457) 16.477 11.243 ( 2.358 -0.767 -13.759) 13.981 12.183 ( 7.440 -4.336 10.873) 13.870 12.392 ( -3.481 -4.686 2.306) 6.276 13.108 ( 3.569 1.400 -17.842) 18.250 13.356 ( 0.333 -2.273 -14.688) 14.867 14.773 ( 2.176 3.573 2.836) 5.054 14.964 ( -0.192 -0.272 -4.127) 4.140 15.996 ( 2.913 4.367 7.238) 8.941 16.147 ( -6.787 2.628 2.172) 7.595 37.524 ( 1.999 3.529 2.583) 4.808 37.596 ( 1.578 1.537 1.104) 2.464 39.986 ( 1.068 -0.803 1.864) 2.293 40.029 ( -1.673 -1.764 0.766) 2.548 53.676 ( -2.160 20.277 5.021) 21.001 53.815 ( -6.972 17.008 1.826) 18.472 ======================= Grid point 570 (185/240) ======================= q-point: ( 0.00 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 0.000 5.823 4.497) 7.357 2.761 ( 0.000 8.719 -0.340) 8.726 2.771 ( 0.000 -2.193 -0.111) 2.195 3.062 ( 0.000 -5.994 -6.359) 8.739 6.025 ( 0.000 12.295 20.738) 24.109 6.293 ( 0.000 -0.020 10.821) 10.821 7.839 ( 0.000 -0.480 2.700) 2.743 8.252 ( 0.000 -3.029 -12.863) 13.215 8.838 ( 0.000 -0.697 5.065) 5.113 9.165 ( 0.000 -1.029 -4.271) 4.393 11.619 ( 0.000 -0.592 19.269) 19.278 11.686 ( 0.000 0.737 4.841) 4.897 12.028 ( 0.000 -0.697 -4.952) 5.001 12.682 ( 0.000 -2.584 -10.061) 10.387 14.193 ( 0.000 -0.582 24.704) 24.711 15.639 ( 0.000 2.111 -17.696) 17.821 16.386 ( 0.000 -2.067 11.681) 11.862 17.515 ( 0.000 -0.501 -20.112) 20.118 36.628 ( 0.000 1.023 1.884) 2.144 36.764 ( 0.000 -0.514 -2.037) 2.101 40.065 ( 0.000 1.317 -4.049) 4.258 40.257 ( 0.000 -1.977 -9.589) 9.791 56.465 ( 0.000 30.769 -11.451) 32.830 57.262 ( 0.000 -26.718 -36.887) 45.546 ======================= Grid point 571 (186/240) ======================= q-point: ( 0.07 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( -0.156 8.771 0.498) 8.787 2.801 ( 14.119 3.593 2.637) 14.805 2.978 ( 18.726 -1.684 -0.477) 18.807 3.057 ( 1.063 -5.144 -5.672) 7.731 5.964 ( -5.897 11.152 21.068) 24.556 6.234 ( -5.608 0.606 10.994) 12.357 7.805 ( -2.973 -0.637 3.014) 4.281 8.225 ( -2.415 -2.153 -12.546) 12.957 8.974 ( 12.744 -1.059 4.862) 13.681 9.313 ( 13.782 -1.199 -4.690) 14.607 11.574 ( -3.202 0.265 16.878) 17.181 11.740 ( 4.963 -0.819 4.861) 6.995 12.131 ( 9.129 0.059 -3.511) 9.781 12.684 ( 0.182 -2.461 -10.007) 10.307 14.199 ( 0.685 -0.481 23.617) 23.632 15.608 ( -2.929 1.996 -17.699) 18.050 16.353 ( -3.107 -1.845 11.766) 12.308 17.454 ( -5.937 -0.468 -19.243) 20.143 36.671 ( 4.184 1.043 1.979) 4.745 36.803 ( 3.868 -0.487 -1.856) 4.318 40.058 ( -0.619 1.314 -3.760) 4.031 40.248 ( -0.952 -1.960 -9.191) 9.446 56.320 ( -13.924 29.087 -10.368) 33.874 57.071 ( -18.268 -24.024 -34.220) 45.628 ======================= Grid point 572 (187/240) ======================= q-point: ( 0.13 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( -0.558 8.297 -0.180) 8.317 2.952 ( -0.248 -6.244 -4.846) 7.908 3.319 ( 24.128 2.979 2.607) 24.450 3.479 ( 28.354 -1.064 -1.594) 28.419 5.798 ( -10.125 8.025 21.641) 25.204 6.075 ( -9.906 1.761 11.387) 15.196 7.737 ( -3.248 -0.820 3.523) 4.861 8.166 ( -3.233 -0.864 -11.851) 12.314 9.317 ( 20.136 -1.321 4.518) 20.679 9.676 ( 20.809 -1.329 -5.227) 21.496 11.520 ( -1.780 0.449 15.551) 15.659 11.883 ( 8.986 -1.781 3.234) 9.715 12.362 ( 13.114 1.215 -3.391) 13.600 12.687 ( 0.156 -2.387 -9.629) 9.921 14.226 ( 2.035 -0.195 20.342) 20.445 15.524 ( -5.294 1.714 -17.575) 18.435 16.268 ( -5.072 -1.260 12.051) 13.136 17.287 ( -10.145 -0.392 -16.845) 19.668 36.791 ( 7.558 1.103 2.229) 7.957 36.915 ( 6.931 -0.408 -1.346) 7.073 40.041 ( -1.062 1.283 -2.950) 3.388 40.220 ( -1.753 -1.906 -8.055) 8.461 55.929 ( -23.725 24.762 -7.495) 35.103 56.565 ( -30.389 -17.340 -27.431) 44.459 ======================= Grid point 573 (188/240) ======================= q-point: ( 0.20 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 2.141 6.751 0.177) 7.085 2.945 ( 0.469 -6.549 -4.837) 8.155 3.821 ( 23.399 3.383 4.239) 24.020 4.061 ( 27.699 -0.197 -2.991) 27.860 5.567 ( -12.280 3.162 21.849) 25.262 5.849 ( -11.810 1.983 11.380) 16.520 7.685 ( -1.776 -0.551 3.918) 4.337 8.102 ( -2.943 -0.091 -10.625) 11.026 9.753 ( 22.220 -0.521 3.917) 22.568 10.111 ( 21.229 -1.524 -5.143) 21.896 11.509 ( 0.787 0.466 14.924) 14.952 12.094 ( 11.436 -2.105 0.979) 11.669 12.628 ( 10.211 3.474 -6.025) 12.355 12.707 ( 4.533 -3.891 -8.075) 10.045 14.286 ( 3.955 0.141 15.373) 15.874 15.401 ( -6.629 1.473 -16.920) 18.232 16.160 ( -5.256 -0.545 12.468) 13.542 17.059 ( -12.024 -0.274 -13.416) 18.018 36.967 ( 9.525 1.203 2.544) 9.932 37.075 ( 8.631 -0.289 -0.600) 8.657 40.017 ( -1.211 1.182 -1.783) 2.458 40.178 ( -2.288 -1.809 -6.344) 6.982 55.401 ( -27.352 19.424 -3.713) 33.752 55.899 ( -34.068 -9.559 -19.079) 40.199 ======================= Grid point 574 (189/240) ======================= q-point: ( 0.27 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 5.318 4.264 1.064) 6.899 2.982 ( 3.253 -5.499 -3.286) 7.184 4.207 ( 13.489 5.896 7.013) 16.307 4.542 ( 17.937 1.725 -3.722) 18.400 5.329 ( -9.805 -3.656 20.931) 23.401 5.629 ( -8.843 -0.573 9.629) 13.086 7.670 ( 0.376 0.455 4.237) 4.278 8.052 ( -1.937 0.121 -8.735) 8.948 10.186 ( 19.826 2.215 2.974) 20.170 10.508 ( 17.563 -2.480 -4.511) 18.302 11.558 ( 4.236 -0.147 14.166) 14.787 12.314 ( 9.083 -1.830 -0.525) 9.280 12.706 ( 3.560 0.028 -9.960) 10.577 12.940 ( 12.684 -0.224 -7.802) 14.893 14.386 ( 5.978 0.234 10.180) 11.808 15.264 ( -6.622 1.550 -15.134) 16.592 16.066 ( -3.846 0.054 12.612) 13.186 16.812 ( -12.147 -0.052 -9.460) 15.396 37.166 ( 9.811 1.335 2.827) 10.297 37.253 ( 8.747 -0.150 0.261) 8.753 39.994 ( -1.039 0.974 -0.500) 1.510 40.129 ( -2.493 -1.657 -4.306) 5.244 54.861 ( -25.190 14.630 0.039) 29.130 55.232 ( -30.934 -2.957 -11.257) 33.051 ======================= Grid point 575 (190/240) ======================= q-point: ( 0.33 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.940 ( 7.633 1.371 2.480) 8.142 3.075 ( 5.773 -3.624 -0.962) 6.884 4.333 ( -0.920 9.326 11.491) 14.828 4.672 ( -5.944 3.564 4.115) 8.060 5.280 ( 5.968 -9.186 11.508) 15.888 5.529 ( -0.858 -5.749 5.598) 8.070 7.699 ( 2.443 2.196 4.338) 5.441 8.023 ( -1.022 -0.297 -6.240) 6.330 10.527 ( 13.317 7.831 2.276) 15.616 10.814 ( 12.579 -5.456 -4.065) 14.301 11.687 ( 8.607 -1.569 12.645) 15.377 12.425 ( 1.994 -1.316 0.733) 2.499 12.832 ( 8.360 0.110 -14.267) 16.536 13.160 ( 8.609 -0.444 -11.247) 14.171 14.526 ( 7.724 0.081 6.146) 9.871 15.141 ( -5.380 1.940 -11.800) 13.113 16.010 ( -1.598 0.513 11.901) 12.019 16.573 ( -11.358 0.298 -5.306) 12.540 37.353 ( 8.467 1.498 3.003) 9.108 37.419 ( 7.363 -0.036 1.109) 7.446 39.977 ( -0.598 0.654 0.625) 1.084 40.080 ( -2.372 -1.438 -2.240) 3.565 54.409 ( -19.008 11.228 3.006) 22.280 54.671 ( -24.035 1.582 -4.895) 24.580 ======================= Grid point 576 (191/240) ======================= q-point: ( 0.40 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( 8.258 -0.599 4.180) 9.275 3.205 ( 6.600 -1.913 1.626) 7.062 4.226 ( -7.615 8.782 13.741) 17.999 4.446 ( -13.181 1.286 9.986) 16.587 5.445 ( 7.823 -8.714 4.453) 12.529 5.559 ( 2.530 -8.314 2.924) 9.169 7.762 ( 3.489 4.597 3.873) 6.950 8.004 ( -0.946 -1.615 -3.365) 3.851 10.722 ( 6.256 13.916 2.158) 15.410 11.015 ( 7.226 -9.609 -4.079) 12.696 11.897 ( 11.544 -2.288 10.190) 15.567 12.415 ( -2.703 -1.166 2.662) 3.969 13.008 ( 8.327 0.813 -18.265) 20.090 13.277 ( 2.859 -1.601 -15.148) 15.498 14.691 ( 8.186 0.379 3.292) 8.831 15.048 ( -4.006 1.981 -7.362) 8.612 16.004 ( 1.033 0.954 10.018) 10.116 16.356 ( -9.919 0.667 -1.095) 10.001 37.500 ( 5.783 1.718 3.034) 6.752 37.544 ( 4.794 -0.029 1.838) 5.135 39.971 ( 0.016 0.259 1.334) 1.359 40.035 ( -1.973 -1.151 -0.448) 2.328 54.105 ( -10.794 9.261 4.660) 14.967 54.268 ( -15.679 4.210 -0.147) 16.235 ======================= Grid point 577 (192/240) ======================= q-point: ( 0.47 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.251 ( 5.297 -0.137 5.294) 7.491 3.308 ( 2.486 -1.968 3.945) 5.061 4.105 ( -2.861 6.769 13.257) 15.158 4.214 ( -8.027 0.273 11.054) 13.664 5.562 ( 3.625 -8.570 2.752) 9.704 5.594 ( 0.375 -8.672 2.349) 8.992 7.824 ( 2.088 7.793 2.794) 8.538 7.984 ( -0.866 -4.234 -0.806) 4.396 10.799 ( 1.729 17.085 2.055) 17.295 11.109 ( 2.202 -12.114 -4.070) 12.968 12.126 ( 10.290 -1.234 7.775) 12.956 12.319 ( -6.637 -2.146 4.372) 8.233 13.150 ( 5.130 2.463 -19.976) 20.771 13.285 ( -1.467 -3.703 -18.139) 18.571 14.840 ( 6.015 2.272 0.848) 6.485 14.970 ( -3.815 0.323 -3.300) 5.054 16.055 ( 4.034 1.506 7.053) 8.263 16.179 ( -7.334 0.706 3.036) 7.969 37.581 ( 2.111 2.058 2.937) 4.162 37.609 ( 1.599 -0.239 2.336) 2.841 39.978 ( 0.634 -0.093 1.443) 1.579 40.001 ( -1.314 -0.870 0.817) 1.775 53.974 ( -2.350 8.579 4.757) 10.087 54.041 ( -6.523 5.204 2.996) 8.866 ======================= Grid point 660 (193/240) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 0.000 0.000 18.692) 18.692 2.467 ( 0.000 0.000 -14.401) 14.401 2.752 ( 0.000 0.000 19.872) 19.872 3.081 ( 0.000 0.000 -11.058) 11.058 4.482 ( 0.000 0.000 24.005) 24.005 4.857 ( 0.000 0.000 -11.424) 11.424 8.655 ( 0.000 0.000 18.788) 18.788 9.070 ( 0.000 0.000 -20.548) 20.548 9.161 ( 0.000 0.000 2.924) 2.924 9.228 ( 0.000 0.000 -3.367) 3.367 11.760 ( 0.000 0.000 10.826) 10.826 11.976 ( 0.000 0.000 11.958) 11.958 11.980 ( 0.000 0.000 -9.992) 9.992 12.241 ( 0.000 0.000 -13.304) 13.304 14.572 ( 0.000 0.000 11.533) 11.533 14.832 ( 0.000 0.000 -12.998) 12.998 17.216 ( 0.000 0.000 6.031) 6.031 17.324 ( 0.000 0.000 -4.032) 4.032 36.571 ( 0.000 0.000 5.904) 5.904 36.696 ( 0.000 0.000 -5.890) 5.890 39.998 ( 0.000 0.000 14.151) 14.151 40.303 ( 0.000 0.000 -14.493) 14.493 55.336 ( 0.000 0.000 18.173) 18.173 55.742 ( 0.000 0.000 -20.099) 20.099 ======================= Grid point 661 (194/240) ======================= q-point: ( 0.07 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 21.572 0.000 17.552) 27.810 2.665 ( 13.857 0.000 -3.342) 14.255 2.783 ( 6.980 0.000 8.371) 10.900 3.068 ( -0.900 0.000 -10.746) 10.784 4.546 ( 6.719 0.000 22.988) 23.950 4.899 ( 4.566 0.000 -10.429) 11.385 8.537 ( -9.168 0.000 15.570) 18.069 8.830 ( -13.401 0.000 -10.819) 17.223 9.408 ( 14.816 0.000 -1.537) 14.896 9.426 ( 15.332 0.000 -4.435) 15.960 11.563 ( -10.246 0.000 11.181) 15.166 11.817 ( -10.136 0.000 -12.700) 16.249 12.211 ( 14.262 0.000 9.585) 17.183 12.418 ( 11.684 0.000 -10.080) 15.431 14.605 ( 3.207 0.000 10.391) 10.875 14.842 ( 0.966 0.000 -11.923) 11.962 17.132 ( -8.112 0.000 7.090) 10.774 17.256 ( -6.590 0.000 -4.624) 8.050 36.605 ( 3.233 0.000 5.878) 6.708 36.731 ( 3.347 0.000 -6.073) 6.934 40.001 ( 0.277 0.000 13.727) 13.729 40.295 ( -0.720 0.000 -13.946) 13.965 55.165 ( -16.436 0.000 15.704) 22.732 55.498 ( -22.920 0.000 -15.440) 27.635 ======================= Grid point 662 (195/240) ======================= q-point: ( 0.13 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 4.559 0.000 17.263) 17.855 2.843 ( 21.412 0.000 17.594) 27.713 3.081 ( 3.955 0.000 -10.986) 11.676 3.180 ( 22.758 0.000 -14.363) 26.911 4.784 ( 17.648 0.000 19.828) 26.544 5.074 ( 13.696 0.000 -7.604) 15.666 8.343 ( -9.540 0.000 12.184) 15.474 8.559 ( -13.259 0.000 -7.545) 15.255 9.717 ( 12.449 0.000 -1.964) 12.603 9.731 ( 15.367 0.000 -2.678) 15.599 11.453 ( 0.320 0.000 7.776) 7.782 11.667 ( -3.558 0.000 -12.362) 12.864 12.464 ( 10.261 0.000 7.734) 12.849 12.634 ( 9.133 0.000 -8.218) 12.286 14.696 ( 5.571 0.000 7.512) 9.352 14.871 ( 1.908 0.000 -8.975) 9.176 16.904 ( -13.921 0.000 9.434) 16.817 17.066 ( -11.842 0.000 -6.079) 13.311 36.697 ( 5.756 0.000 5.714) 8.110 36.825 ( 5.711 0.000 -6.377) 8.560 40.010 ( 0.578 0.000 12.534) 12.547 40.275 ( -1.212 0.000 -12.445) 12.503 54.708 ( -27.532 0.000 10.025) 29.301 54.887 ( -35.364 0.000 -6.094) 35.886 ======================= Grid point 663 (196/240) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( 8.804 0.000 13.834) 16.398 3.083 ( 6.501 0.000 4.615) 7.973 3.309 ( 13.899 0.000 3.094) 14.239 3.554 ( 13.269 0.000 -13.735) 19.097 5.267 ( 29.127 0.000 15.277) 32.891 5.475 ( 25.363 0.000 -4.360) 25.735 8.159 ( -8.507 0.000 8.665) 12.143 8.299 ( -12.206 0.000 -4.217) 12.914 9.903 ( 5.853 0.000 -0.144) 5.855 9.977 ( 8.215 0.000 -6.532) 10.496 11.585 ( 12.025 0.000 3.188) 12.441 11.703 ( 7.267 0.000 -8.218) 10.970 12.625 ( 5.890 0.000 6.598) 8.845 12.780 ( 5.341 0.000 -7.825) 9.474 14.821 ( 6.483 0.000 4.126) 7.684 14.917 ( 2.596 0.000 -4.978) 5.614 16.589 ( -16.612 0.000 11.590) 20.256 16.791 ( -14.973 0.000 -7.700) 16.837 36.830 ( 7.125 0.000 5.248) 8.849 36.953 ( 6.670 0.000 -6.389) 9.236 40.025 ( 0.892 0.000 10.773) 10.810 40.248 ( -1.392 0.000 -10.296) 10.390 54.099 ( -31.476 0.000 4.353) 31.776 54.142 ( -36.762 0.000 1.102) 36.779 ======================= Grid point 664 (197/240) ======================= q-point: ( 0.27 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( 11.016 0.000 9.638) 14.637 3.223 ( 7.379 0.000 3.217) 8.050 3.536 ( 8.882 0.000 4.797) 10.095 3.733 ( 5.372 0.000 -10.892) 12.145 5.900 ( 31.671 0.000 11.229) 33.603 6.042 ( 28.794 0.000 -2.161) 28.875 8.005 ( -6.549 0.000 4.801) 8.120 8.075 ( -9.624 0.000 -2.081) 9.847 9.973 ( 1.701 0.000 -0.655) 1.822 10.067 ( 1.403 0.000 -9.329) 9.434 11.890 ( 16.688 0.000 0.717) 16.704 11.933 ( 14.204 0.000 -3.654) 14.667 12.716 ( 3.403 0.000 5.264) 6.268 12.857 ( 2.410 0.000 -7.839) 8.201 14.950 ( 6.212 0.000 1.119) 6.312 14.973 ( 2.888 0.000 -0.985) 3.051 16.250 ( -16.458 0.000 12.712) 20.795 16.475 ( -15.819 0.000 -8.825) 18.114 36.977 ( 7.238 0.000 4.376) 8.457 37.086 ( 6.299 0.000 -5.907) 8.635 40.046 ( 1.171 0.000 8.686) 8.764 40.220 ( -1.330 0.000 -7.809) 7.922 53.442 ( -31.675 0.000 4.158) 31.946 53.473 ( -29.487 0.000 0.615) 29.493 ======================= Grid point 665 (198/240) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.340 ( 9.845 0.000 5.333) 11.197 3.371 ( 6.871 0.000 3.741) 7.823 3.687 ( 6.269 0.000 3.320) 7.094 3.805 ( 2.310 0.000 -6.583) 6.977 6.487 ( 25.083 0.000 7.708) 26.241 6.573 ( 22.400 0.000 -0.504) 22.406 7.906 ( -2.927 0.000 1.209) 3.167 7.922 ( -5.158 0.000 -0.990) 5.253 9.992 ( 0.542 0.000 -2.208) 2.274 10.065 ( -0.984 0.000 -9.268) 9.320 12.212 ( 14.267 0.000 0.127) 14.268 12.225 ( 13.559 0.000 -1.201) 13.612 12.776 ( 2.778 0.000 3.224) 4.256 12.888 ( 0.900 0.000 -7.290) 7.346 15.033 ( 3.032 0.000 2.230) 3.764 15.069 ( 5.441 0.000 -1.280) 5.590 15.939 ( -13.884 0.000 12.542) 18.710 16.164 ( -14.622 0.000 -8.953) 17.146 37.115 ( 6.250 0.000 3.103) 6.978 37.201 ( 4.885 0.000 -4.944) 6.950 40.071 ( 1.345 0.000 6.471) 6.609 40.195 ( -1.179 0.000 -5.223) 5.355 52.879 ( -23.630 0.000 4.289) 24.016 52.931 ( -23.564 0.000 -0.980) 23.584 ======================= Grid point 666 (199/240) ======================= q-point: ( 0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.492 ( 4.988 0.000 2.878) 5.759 3.504 ( 6.041 0.000 1.505) 6.226 3.793 ( 4.150 0.000 2.477) 4.833 3.841 ( 1.409 0.000 -1.805) 2.290 6.877 ( 13.050 0.000 3.969) 13.640 6.913 ( 10.981 0.000 0.434) 10.990 7.877 ( 0.665 0.000 -0.011) 0.665 7.893 ( 1.432 0.000 -0.807) 1.644 10.002 ( 0.443 0.000 -3.650) 3.677 10.043 ( -1.083 0.000 -7.794) 7.869 12.446 ( 8.592 0.000 0.184) 8.594 12.453 ( 8.552 0.000 -0.413) 8.562 12.832 ( 2.711 0.000 0.767) 2.817 12.899 ( 0.294 0.000 -5.714) 5.722 15.097 ( 3.323 0.000 4.211) 5.364 15.167 ( 3.945 0.000 -2.455) 4.647 15.704 ( -8.803 0.000 10.438) 13.654 15.894 ( -11.850 0.000 -7.605) 14.081 37.225 ( 4.454 0.000 1.526) 4.708 37.279 ( 2.783 0.000 -3.593) 4.545 40.099 ( 1.367 0.000 4.238) 4.453 40.172 ( -1.088 0.000 -2.695) 2.906 52.494 ( -14.261 0.000 3.049) 14.583 52.535 ( -15.295 0.000 -0.998) 15.327 ======================= Grid point 667 (200/240) ======================= q-point: ( 0.47 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.567 ( 2.293 0.000 0.961) 2.486 3.579 ( 1.396 0.000 -0.179) 1.408 3.852 ( 1.645 0.000 2.369) 2.884 3.862 ( 0.492 0.000 1.509) 1.587 7.033 ( 3.270 0.000 1.087) 3.446 7.040 ( 2.417 0.000 0.347) 2.442 7.919 ( 2.175 0.000 0.376) 2.207 7.930 ( 1.198 0.000 -0.464) 1.285 10.012 ( 0.538 0.000 -4.873) 4.903 10.024 ( -0.743 0.000 -6.196) 6.240 12.561 ( 2.929 0.000 -0.084) 2.931 12.566 ( 2.571 0.000 -0.369) 2.597 12.878 ( 1.702 0.000 -1.353) 2.174 12.899 ( -0.404 0.000 -3.434) 3.458 15.166 ( 3.255 0.000 4.190) 5.306 15.209 ( -0.255 0.000 0.427) 0.497 15.609 ( -0.045 0.000 3.758) 3.759 15.693 ( -7.603 0.000 -3.917) 8.553 37.292 ( 2.164 0.000 -0.217) 2.175 37.311 ( 0.335 0.000 -1.973) 2.001 40.126 ( 1.261 0.000 2.000) 2.365 40.150 ( -1.130 0.000 -0.291) 1.167 52.305 ( -4.292 0.000 1.424) 4.522 52.320 ( -5.755 0.000 -0.049) 5.756 ======================= Grid point 675 (201/240) ======================= q-point: ( 0.00 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 0.000 4.611 17.515) 18.112 2.494 ( 0.000 2.585 -13.557) 13.801 2.696 ( 0.000 -4.299 21.137) 21.570 3.068 ( 0.000 -1.593 -14.044) 14.134 4.665 ( 0.000 17.270 23.474) 29.142 5.020 ( 0.000 15.386 -10.256) 18.491 8.550 ( 0.000 -9.722 17.353) 19.890 8.935 ( 0.000 -12.538 -19.164) 22.901 9.141 ( 0.000 -1.898 3.517) 3.996 9.219 ( 0.000 -0.891 -3.886) 3.987 11.762 ( 0.000 0.221 10.439) 10.442 11.975 ( 0.000 -0.498 -9.684) 9.697 11.997 ( 0.000 1.893 13.557) 13.689 12.300 ( 0.000 5.078 -15.377) 16.194 14.584 ( 0.000 1.138 12.923) 12.973 14.872 ( 0.000 3.731 -14.274) 14.754 17.156 ( 0.000 -4.956 9.729) 10.918 17.338 ( 0.000 0.375 -7.688) 7.697 36.579 ( 0.000 0.714 5.676) 5.721 36.699 ( 0.000 0.244 -5.669) 5.674 40.006 ( 0.000 0.625 12.679) 12.695 40.288 ( 0.000 -1.453 -13.776) 13.852 55.356 ( 0.000 4.143 27.140) 27.454 55.978 ( 0.000 19.670 -32.528) 38.013 ======================= Grid point 676 (202/240) ======================= q-point: ( 0.07 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( 20.901 4.038 16.643) 27.021 2.669 ( 7.866 -0.386 8.088) 11.289 2.756 ( 13.843 -0.906 -1.322) 13.936 3.056 ( -0.724 -1.360 -13.352) 13.440 4.714 ( 5.235 15.892 22.398) 27.958 5.048 ( 3.195 14.133 -9.369) 17.254 8.439 ( -8.719 -8.904 14.678) 19.255 8.735 ( -12.804 -9.257 -12.557) 20.181 9.353 ( 15.144 -3.948 1.129) 15.690 9.419 ( 15.602 -1.470 -4.806) 16.392 11.605 ( -8.816 3.777 11.494) 14.970 11.860 ( -7.608 3.695 -12.152) 14.806 12.196 ( 12.672 -1.472 10.139) 16.296 12.427 ( 9.348 0.885 -11.725) 15.021 14.610 ( 2.501 0.474 11.970) 12.238 14.878 ( 0.621 3.377 -13.360) 13.794 17.080 ( -7.377 -4.384 10.299) 13.406 17.269 ( -6.641 0.482 -7.836) 10.283 36.613 ( 3.325 0.804 5.642) 6.598 36.734 ( 3.396 0.289 -5.806) 6.733 40.008 ( 0.186 0.541 12.347) 12.360 40.281 ( -0.684 -1.416 -13.277) 13.369 55.186 ( -16.294 4.521 24.771) 29.992 55.737 ( -22.725 19.779 -27.846) 41.024 ======================= Grid point 677 (203/240) ======================= q-point: ( 0.13 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 5.698 -3.720 18.506) 19.717 2.918 ( 20.847 5.256 15.346) 26.414 3.060 ( 4.236 -1.821 -13.119) 13.906 3.214 ( 23.315 3.041 -12.435) 26.599 4.907 ( 14.688 11.650 19.135) 26.788 5.180 ( 10.865 10.180 -6.805) 16.370 8.254 ( -9.000 -7.834 11.334) 16.457 8.476 ( -12.600 -8.020 -9.154) 17.518 9.670 ( 14.440 -2.626 2.244) 14.848 9.753 ( 16.339 0.154 -5.127) 17.125 11.503 ( -0.384 4.665 9.119) 10.250 11.741 ( -3.112 6.776 -13.208) 15.168 12.432 ( 10.238 -3.029 7.997) 13.339 12.612 ( 8.316 -2.088 -8.775) 12.269 14.681 ( 4.337 -1.323 9.556) 10.578 14.897 ( 1.299 2.370 -10.892) 11.222 16.871 ( -12.837 -2.860 11.676) 17.587 17.080 ( -11.680 0.863 -8.383) 14.403 36.708 ( 5.927 1.065 5.475) 8.139 36.830 ( 5.851 0.473 -6.027) 8.414 40.014 ( 0.424 0.314 11.391) 11.403 40.262 ( -1.159 -1.325 -11.894) 12.023 54.733 ( -27.357 5.596 19.327) 33.960 55.129 ( -35.254 19.621 -18.228) 44.272 ======================= Grid point 678 (204/240) ======================= q-point: ( 0.20 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( 8.701 -4.244 14.930) 17.794 3.099 ( 5.291 -0.341 -4.555) 6.990 3.350 ( 15.144 4.938 9.117) 18.353 3.609 ( 14.356 5.094 -12.444) 19.670 5.322 ( 25.757 5.259 14.508) 30.026 5.515 ( 22.037 3.877 -3.708) 22.681 8.085 ( -7.541 -6.334 7.683) 12.490 8.232 ( -11.377 -6.536 -5.779) 14.337 9.893 ( 7.329 0.484 4.448) 8.587 10.039 ( 10.958 3.898 -8.601) 14.465 11.604 ( 9.991 1.944 4.904) 11.298 11.762 ( 5.437 5.616 -10.145) 12.807 12.606 ( 7.019 -1.938 6.336) 9.652 12.755 ( 5.891 -2.331 -7.441) 9.773 14.777 ( 4.989 -3.656 6.776) 9.175 14.931 ( 1.988 0.900 -7.690) 7.993 16.580 ( -15.398 -0.789 12.992) 20.162 16.811 ( -14.523 1.640 -9.144) 17.240 36.845 ( 7.348 1.457 5.041) 9.029 36.962 ( 6.917 0.854 -5.996) 9.193 40.025 ( 0.716 0.006 9.929) 9.954 40.236 ( -1.346 -1.225 -9.890) 10.056 54.127 ( -31.239 7.328 13.858) 34.952 54.384 ( -36.847 18.587 -10.391) 42.558 ======================= Grid point 679 (205/240) ======================= q-point: ( 0.27 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.063 ( 10.939 -4.537 10.825) 16.045 3.228 ( 7.169 -1.123 -3.079) 7.883 3.580 ( 8.258 5.072 8.978) 13.211 3.801 ( 5.517 6.343 -10.411) 13.382 5.893 ( 28.979 -0.752 10.535) 30.844 6.023 ( 26.398 -1.939 -1.705) 26.524 7.954 ( -5.302 -4.306 3.650) 7.745 8.024 ( -8.896 -4.919 -2.846) 10.556 9.982 ( 2.040 2.827 5.517) 6.526 10.183 ( 3.656 8.530 -12.895) 15.888 11.867 ( 14.765 -1.839 2.172) 15.037 11.948 ( 12.113 1.568 -5.693) 13.476 12.725 ( 4.937 0.643 4.882) 6.973 12.855 ( 4.058 -0.218 -7.049) 8.136 14.875 ( 4.483 -5.619 4.786) 8.636 14.978 ( 2.731 -0.913 -4.975) 5.748 16.266 ( -15.148 1.559 13.474) 20.334 16.507 ( -15.183 2.777 -9.545) 18.147 36.997 ( 7.470 1.912 4.252) 8.806 37.101 ( 6.617 1.411 -5.538) 8.743 40.043 ( 1.006 -0.317 8.125) 8.194 40.209 ( -1.301 -1.148 -7.538) 7.735 53.510 ( -28.874 9.506 9.848) 31.953 53.680 ( -32.107 16.938 -6.220) 36.830 ======================= Grid point 680 (206/240) ======================= q-point: ( 0.33 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.282 ( 10.193 -4.226 6.732) 12.926 3.373 ( 6.801 -1.436 -0.960) 7.017 3.712 ( 5.163 3.318 6.848) 9.195 3.868 ( 1.664 5.734 -7.013) 9.210 6.436 ( 23.422 -5.069 7.401) 25.081 6.519 ( 21.258 -5.542 -0.445) 21.974 7.874 ( -2.887 -2.860 0.064) 4.064 7.884 ( -4.215 -3.431 -0.724) 5.483 10.000 ( 0.161 3.446 5.031) 6.101 10.213 ( -0.128 11.091 -14.678) 18.398 12.156 ( 13.013 -4.246 1.704) 13.794 12.209 ( 12.684 -1.717 -3.427) 13.250 12.813 ( 3.822 3.028 3.469) 5.984 12.924 ( 2.803 3.054 -6.822) 7.983 14.955 ( 3.487 -6.304 4.380) 8.431 15.041 ( 3.423 -3.316 -3.835) 6.117 15.983 ( -12.488 4.035 12.668) 18.240 16.210 ( -13.922 4.066 -9.016) 17.078 37.139 ( 6.432 2.329 3.119) 7.518 37.222 ( 5.219 2.050 -4.662) 7.293 40.065 ( 1.209 -0.605 6.141) 6.288 40.184 ( -1.163 -1.102 -5.063) 5.310 52.986 ( -22.351 11.421 6.924) 26.038 53.103 ( -24.572 15.620 -4.124) 29.407 ======================= Grid point 681 (207/240) ======================= q-point: ( 0.40 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.459 ( 6.992 -2.938 3.002) 8.156 3.492 ( 4.706 -1.725 0.154) 5.015 3.797 ( 3.367 1.303 4.924) 6.106 3.885 ( 0.291 3.938 -3.093) 5.016 6.809 ( 12.989 -6.771 4.448) 15.308 6.851 ( 11.367 -6.459 0.407) 13.080 7.834 ( 0.046 -4.132 0.683) 4.188 7.864 ( 0.711 -2.421 -2.054) 3.253 9.998 ( -0.149 3.149 4.109) 5.179 10.198 ( -0.952 11.484 -14.499) 18.521 12.377 ( 8.640 -4.453 2.220) 9.970 12.432 ( 8.831 -2.642 -3.098) 9.724 12.880 ( 2.826 3.986 1.839) 5.221 12.965 ( 1.086 5.252 -5.969) 8.025 15.019 ( 2.797 -6.576 5.095) 8.777 15.110 ( 3.070 -5.358 -3.691) 7.194 15.776 ( -7.584 6.307 9.975) 14.028 15.954 ( -11.025 5.374 -7.087) 14.165 37.251 ( 4.501 2.582 1.752) 5.477 37.307 ( 3.101 2.671 -3.480) 5.372 40.091 ( 1.268 -0.832 4.076) 4.349 40.161 ( -1.071 -1.071 -2.623) 3.029 52.619 ( -13.714 12.661 4.524) 19.206 52.694 ( -15.580 15.010 -2.584) 21.788 ======================= Grid point 682 (208/240) ======================= q-point: ( 0.47 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.553 ( 2.016 -1.723 0.704) 2.744 3.561 ( 2.115 -1.699 -0.040) 2.713 3.847 ( 1.377 0.242 3.821) 4.069 3.885 ( -0.153 1.990 0.157) 2.003 6.965 ( 3.174 -6.129 2.739) 7.425 6.996 ( 3.409 -5.653 0.237) 6.605 7.856 ( 1.227 -5.853 1.027) 6.068 7.887 ( 0.916 -3.513 -2.146) 4.217 9.996 ( -0.062 2.773 3.476) 4.447 10.183 ( -0.442 11.145 -13.927) 17.843 12.499 ( 3.159 -3.409 2.621) 5.336 12.555 ( 3.140 -2.064 -3.064) 4.849 12.927 ( 1.838 3.843 -0.646) 4.309 12.966 ( -0.785 5.515 -3.971) 6.841 15.064 ( 1.392 -7.543 5.716) 9.566 15.154 ( 1.117 -5.772 -2.850) 6.534 15.689 ( -0.993 7.136 4.842) 8.681 15.777 ( -5.878 6.924 -3.484) 9.727 37.317 ( 1.814 2.501 0.452) 3.123 37.346 ( 0.817 3.244 -2.280) 4.048 40.116 ( 1.166 -1.004 1.974) 2.503 40.140 ( -1.063 -1.007 -0.317) 1.498 52.435 ( -4.434 13.220 2.738) 14.210 52.479 ( -5.505 14.869 -1.284) 15.908 ======================= Grid point 690 (209/240) ======================= q-point: ( 0.00 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 0.000 7.555 14.488) 16.340 2.564 ( 0.000 4.200 -11.282) 12.039 2.630 ( 0.000 -1.608 20.772) 20.834 3.024 ( 0.000 -2.437 -16.600) 16.778 5.108 ( 0.000 25.462 21.355) 33.231 5.418 ( 0.000 22.963 -8.084) 24.345 8.318 ( 0.000 -12.150 13.677) 18.294 8.631 ( 0.000 -16.349 -16.029) 22.896 9.091 ( 0.000 -2.895 4.606) 5.440 9.191 ( 0.000 -1.932 -4.789) 5.164 11.769 ( 0.000 0.421 9.381) 9.391 11.962 ( 0.000 -0.836 -8.831) 8.870 12.038 ( 0.000 1.799 16.480) 16.577 12.404 ( 0.000 4.444 -18.261) 18.794 14.614 ( 0.000 1.848 16.200) 16.305 14.966 ( 0.000 5.292 -16.978) 17.783 17.039 ( 0.000 -6.576 14.121) 15.577 17.316 ( 0.000 -2.659 -12.430) 12.711 36.598 ( 0.000 1.236 5.032) 5.181 36.705 ( 0.000 0.375 -5.042) 5.056 40.018 ( 0.000 0.438 9.334) 9.344 40.247 ( 0.000 -2.581 -11.996) 12.270 55.523 ( 0.000 11.918 35.749) 37.684 56.390 ( 0.000 19.102 -47.515) 51.211 ======================= Grid point 691 (210/240) ======================= q-point: ( 0.07 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 17.937 6.296 14.507) 23.913 2.645 ( 4.311 -0.656 18.309) 18.821 2.788 ( 19.503 3.388 -10.423) 22.371 3.017 ( -0.145 -2.219 -15.658) 15.815 5.124 ( 1.868 23.628 20.392) 31.266 5.416 ( 0.146 21.315 -7.382) 22.558 8.232 ( -7.069 -10.712 11.792) 17.429 8.494 ( -10.401 -13.511 -12.972) 21.424 9.272 ( 15.106 -4.070 4.093) 16.171 9.373 ( 15.404 -2.910 -5.300) 16.548 11.691 ( -5.175 4.276 11.636) 13.433 11.933 ( -1.992 2.971 -10.479) 11.073 12.158 ( 9.023 -2.089 12.182) 15.303 12.450 ( 4.295 1.267 -15.301) 15.943 14.624 ( 0.982 1.005 15.539) 15.603 14.962 ( -0.331 4.707 -16.343) 17.011 16.975 ( -6.157 -5.903 14.307) 16.656 17.253 ( -6.104 -2.261 -12.262) 13.882 36.635 ( 3.565 1.384 4.988) 6.285 36.742 ( 3.548 0.472 -5.084) 6.217 40.018 ( 0.011 0.354 9.175) 9.182 40.241 ( -0.591 -2.522 -11.600) 11.886 55.365 ( -15.198 12.620 33.223) 38.652 56.157 ( -22.078 19.911 -42.678) 52.012 ======================= Grid point 692 (211/240) ======================= q-point: ( 0.13 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( 4.125 -1.740 17.786) 18.341 2.990 ( 5.682 -1.257 -7.474) 9.472 3.065 ( 21.285 5.507 5.435) 22.648 3.289 ( 25.221 4.119 -10.037) 27.455 5.211 ( 7.598 17.735 17.385) 25.971 5.450 ( 4.118 15.884 -5.261) 17.232 8.081 ( -7.228 -8.513 8.616) 14.105 8.276 ( -10.676 -10.771 -9.757) 18.033 9.617 ( 17.271 -2.938 4.832) 18.173 9.732 ( 18.743 -2.153 -5.772) 19.729 11.619 ( -1.198 6.355 11.747) 13.410 11.898 ( -1.063 7.840 -13.982) 16.065 12.353 ( 9.889 -4.436 8.917) 14.035 12.561 ( 6.318 -2.675 -10.554) 12.588 14.653 ( 1.845 -1.193 13.752) 13.926 14.954 ( -0.435 3.081 -14.601) 14.929 16.801 ( -10.673 -4.008 14.709) 18.610 17.080 ( -10.651 -1.148 -11.910) 16.020 36.738 ( 6.375 1.809 4.825) 8.197 36.843 ( 6.231 0.805 -5.117) 8.103 40.019 ( 0.117 0.116 8.684) 8.685 40.224 ( -1.021 -2.376 -10.482) 10.796 54.941 ( -25.520 14.415 27.070) 39.898 55.560 ( -35.023 21.461 -31.793) 51.942 ======================= Grid point 693 (212/240) ======================= q-point: ( 0.20 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( 7.818 -3.187 14.561) 16.831 3.056 ( 4.299 -3.358 -10.915) 12.202 3.501 ( 17.134 9.308 11.796) 22.790 3.736 ( 17.258 7.086 -10.180) 21.253 5.458 ( 16.922 7.883 12.708) 22.583 5.618 ( 12.975 6.097 -2.253) 14.513 7.951 ( -5.463 -6.359 5.049) 9.786 8.073 ( -9.155 -8.075 -6.475) 13.818 9.918 ( 11.722 1.325 7.457) 13.956 10.091 ( 15.826 1.057 -8.420) 17.958 11.661 ( 5.525 3.642 9.078) 11.234 11.907 ( 2.355 8.187 -13.909) 16.311 12.550 ( 9.377 -3.448 6.273) 11.797 12.699 ( 7.157 -3.058 -7.285) 10.660 14.698 ( 2.510 -3.858 11.304) 12.205 14.946 ( -0.266 0.718 -12.130) 12.154 16.560 ( -12.675 -1.229 14.868) 19.577 16.836 ( -13.062 0.519 -11.447) 17.376 36.885 ( 7.933 2.446 4.475) 9.431 36.985 ( 7.547 1.423 -4.968) 9.147 40.023 ( 0.341 -0.236 7.842) 7.853 40.201 ( -1.216 -2.203 -8.810) 9.163 54.378 ( -29.062 16.686 20.077) 39.066 54.811 ( -37.384 22.534 -20.991) 48.435 ======================= Grid point 694 (213/240) ======================= q-point: ( 0.27 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( 10.463 -4.430 10.731) 15.629 3.169 ( 6.584 -4.272 -7.753) 11.032 3.742 ( 7.381 10.642 11.752) 17.489 3.968 ( 6.128 9.876 -9.420) 14.961 5.865 ( 21.865 -2.213 8.619) 23.607 5.960 ( 19.556 -4.455 -0.181) 20.058 7.861 ( -3.508 -4.726 1.522) 6.079 7.912 ( -6.542 -5.017 -3.279) 8.873 10.082 ( 4.747 6.324 10.489) 13.135 10.342 ( 8.612 6.487 -13.386) 17.188 11.833 ( 10.830 -1.284 5.797) 12.351 12.004 ( 7.164 3.995 -10.478) 13.307 12.727 ( 7.945 -0.661 4.678) 9.244 12.847 ( 7.372 -0.526 -6.096) 9.580 14.754 ( 3.029 -5.905 8.673) 10.921 14.945 ( 0.146 -2.005 -9.289) 9.504 16.305 ( -12.208 1.991 14.199) 18.831 16.565 ( -13.497 2.522 -10.572) 17.329 37.049 ( 8.077 3.181 3.888) 9.512 37.139 ( 7.416 2.283 -4.537) 8.988 40.033 ( 0.628 -0.645 6.673) 6.733 40.176 ( -1.210 -2.057 -6.786) 7.193 53.804 ( -26.791 18.932 14.104) 35.708 54.092 ( -32.820 23.001 -13.121) 42.171 ======================= Grid point 695 (214/240) ======================= q-point: ( 0.33 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( 10.600 -4.933 6.798) 13.524 3.308 ( 6.794 -4.639 -4.383) 9.322 3.835 ( 2.525 8.869 10.193) 13.745 4.021 ( 0.008 9.448 -7.286) 11.931 6.290 ( 19.097 -9.408 6.214) 22.178 6.351 ( 17.806 -11.233 0.626) 21.063 7.790 ( -3.580 -4.582 0.856) 5.877 7.830 ( -1.506 -1.737 -2.931) 3.725 10.132 ( 0.729 9.038 11.606) 14.728 10.446 ( 2.167 11.274 -17.432) 20.873 12.071 ( 12.005 -3.926 4.018) 13.254 12.184 ( 10.024 -0.326 -6.899) 12.173 12.865 ( 5.554 1.597 4.200) 7.144 12.984 ( 5.746 2.495 -6.553) 9.066 14.819 ( 3.288 -6.652 6.366) 9.777 14.955 ( 0.928 -4.607 -6.468) 7.995 16.079 ( -9.761 5.099 12.257) 16.478 16.301 ( -12.292 4.545 -8.873) 15.826 37.203 ( 6.918 3.861 3.080) 8.500 37.277 ( 6.043 3.247 -3.840) 7.862 40.048 ( 0.879 -1.049 5.239) 5.415 40.153 ( -1.105 -1.954 -4.596) 5.115 53.318 ( -20.730 20.859 9.564) 30.924 53.504 ( -24.933 23.300 -7.952) 35.040 ======================= Grid point 696 (215/240) ======================= q-point: ( 0.40 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.383 ( 8.186 -4.485 3.133) 9.846 3.431 ( 5.120 -4.116 -1.430) 6.724 3.865 ( 0.840 5.628 7.780) 9.639 3.994 ( -2.247 6.939 -4.313) 8.474 6.610 ( 12.111 -13.139 4.669) 18.470 6.646 ( 10.967 -14.146 1.328) 17.948 7.740 ( -1.277 -4.290 2.629) 5.191 7.821 ( 0.256 -1.229 -5.069) 5.222 10.131 ( -0.502 9.592 11.176) 14.737 10.455 ( -0.619 13.464 -18.992) 23.288 12.297 ( 9.897 -3.448 3.541) 11.062 12.381 ( 8.764 -1.913 -4.710) 10.132 12.949 ( 2.839 2.169 3.313) 4.872 13.065 ( 2.094 4.131 -7.006) 8.398 14.880 ( 2.584 -6.450 5.277) 8.725 14.984 ( 1.880 -6.372 -4.616) 8.090 15.920 ( -5.789 7.418 8.923) 12.968 16.077 ( -9.564 6.302 -6.090) 12.972 37.322 ( 4.714 4.323 2.161) 6.751 37.378 ( 3.814 4.136 -2.995) 6.374 40.068 ( 1.011 -1.399 3.608) 3.999 40.131 ( -1.012 -1.872 -2.401) 3.208 52.978 ( -12.684 22.294 6.205) 26.390 53.092 ( -15.642 23.614 -4.478) 28.676 ======================= Grid point 697 (216/240) ======================= q-point: ( 0.47 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.495 ( 2.339 -3.796 1.289) 4.642 3.514 ( 2.908 -3.007 -0.458) 4.208 3.878 ( 0.525 3.204 5.371) 6.276 3.948 ( -1.755 4.396 -1.172) 4.876 6.774 ( 4.045 -13.690 3.555) 14.711 6.791 ( 3.429 -15.044 2.219) 15.588 7.730 ( -0.054 -5.320 3.421) 6.325 7.830 ( 0.349 -1.332 -6.209) 6.360 10.121 ( -0.304 9.412 10.511) 14.112 10.440 ( -0.544 13.997 -19.177) 23.748 12.450 ( 4.438 -1.604 3.405) 5.819 12.509 ( 3.298 -2.244 -2.916) 4.941 12.987 ( 1.070 1.498 1.015) 2.102 13.076 ( -0.440 4.644 -6.385) 7.907 14.917 ( 0.949 -6.435 5.565) 8.560 15.019 ( 1.164 -6.781 -4.284) 8.105 15.851 ( -1.037 8.377 4.839) 9.729 15.928 ( -4.627 7.600 -2.509) 9.245 37.389 ( 1.714 4.472 1.425) 4.997 37.429 ( 1.252 4.748 -2.298) 5.421 40.088 ( 0.930 -1.681 1.867) 2.679 40.112 ( -0.900 -1.748 -0.359) 1.999 52.808 ( -4.081 23.105 3.986) 23.799 52.876 ( -5.488 23.809 -2.268) 24.538 ======================= Grid point 705 (217/240) ======================= q-point: ( 0.00 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 0.000 8.115 10.623) 13.368 2.643 ( 0.000 2.816 16.795) 17.030 2.651 ( 0.000 4.264 -8.162) 9.209 2.983 ( 0.000 -1.526 -15.298) 15.374 5.623 ( 0.000 24.854 18.371) 30.907 5.880 ( 0.000 22.032 -5.962) 22.824 8.102 ( 0.000 -8.942 9.448) 13.009 8.330 ( 0.000 -13.020 -12.453) 18.017 9.032 ( 0.000 -2.932 5.379) 6.126 9.145 ( 0.000 -2.518 -5.341) 5.905 11.778 ( 0.000 0.541 7.938) 7.957 11.944 ( 0.000 -0.923 -7.640) 7.695 12.058 ( 0.000 0.098 18.709) 18.709 12.457 ( 0.000 0.763 -18.999) 19.014 14.655 ( 0.000 2.189 19.886) 20.006 15.072 ( 0.000 5.137 -19.427) 20.095 16.901 ( 0.000 -6.994 16.210) 17.655 17.239 ( 0.000 -4.733 -15.879) 16.569 36.626 ( 0.000 1.426 4.083) 4.325 36.713 ( 0.000 0.327 -4.114) 4.127 40.021 ( 0.000 -0.021 5.719) 5.719 40.189 ( 0.000 -3.068 -9.813) 10.281 55.798 ( 0.000 14.864 33.991) 37.099 56.677 ( 0.000 8.919 -50.092) 50.880 ======================= Grid point 706 (218/240) ======================= q-point: ( 0.07 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 3.828 4.012 14.405) 15.436 2.688 ( 16.108 5.205 11.130) 20.260 2.864 ( 18.457 3.778 -7.820) 20.398 2.980 ( 0.910 -1.297 -14.118) 14.206 5.603 ( -1.649 23.300 17.621) 29.260 5.847 ( -3.005 20.667 -5.416) 21.575 8.045 ( -4.850 -7.596 8.284) 12.242 8.244 ( -7.071 -10.729 -10.923) 16.865 9.193 ( 14.447 -3.788 5.293) 15.846 9.309 ( 14.660 -3.367 -5.620) 16.057 11.762 ( -1.486 2.651 10.546) 10.975 11.960 ( 1.856 -0.550 -7.086) 7.346 12.126 ( 6.045 -0.782 13.440) 14.758 12.466 ( 1.064 0.007 -17.391) 17.423 14.650 ( -0.457 1.573 19.331) 19.400 15.057 ( -1.451 4.606 -19.024) 19.627 16.851 ( -4.866 -6.370 16.177) 18.054 17.184 ( -5.273 -4.316 -15.496) 16.928 36.666 ( 3.869 1.581 4.044) 5.816 36.752 ( 3.781 0.454 -4.072) 5.575 40.020 ( -0.117 -0.066 5.696) 5.697 40.184 ( -0.477 -3.008 -9.515) 9.990 55.654 ( -13.827 15.565 31.831) 38.035 56.468 ( -19.868 10.474 -45.950) 51.145 ======================= Grid point 707 (219/240) ======================= q-point: ( 0.13 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 2.396 1.082 14.506) 14.742 2.943 ( 1.370 -2.480 -12.058) 12.386 3.200 ( 25.964 6.813 7.903) 27.982 3.367 ( 26.664 3.447 -7.261) 27.849 5.577 ( -0.258 18.159 15.264) 23.723 5.778 ( -3.130 16.136 -3.700) 16.848 7.939 ( -5.147 -5.525 6.020) 9.657 8.090 ( -7.631 -7.264 -8.603) 13.602 9.550 ( 19.364 -3.659 5.661) 20.504 9.674 ( 20.131 -3.397 -5.948) 21.264 11.732 ( -1.041 4.504 13.405) 14.180 12.008 ( 2.438 2.160 -11.375) 11.832 12.283 ( 9.236 -1.668 8.701) 12.798 12.515 ( 4.179 -1.834 -12.642) 13.440 14.640 ( -0.433 -0.010 17.702) 17.707 15.017 ( -2.406 3.152 -17.802) 18.238 16.714 ( -8.323 -4.607 15.991) 18.607 17.035 ( -9.139 -3.135 -14.489) 17.415 36.777 ( 6.940 2.024 3.918) 8.223 36.860 ( 6.736 0.844 -3.922) 7.840 40.017 ( -0.129 -0.206 5.586) 5.591 40.171 ( -0.841 -2.854 -8.656) 9.153 55.268 ( -23.373 17.337 26.430) 39.312 55.924 ( -32.294 14.055 -36.029) 50.384 ======================= Grid point 708 (220/240) ======================= q-point: ( 0.20 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 6.000 -0.999 12.161) 13.598 2.983 ( 3.215 -3.663 -10.852) 11.896 3.691 ( 20.303 8.998 9.485) 24.149 3.871 ( 21.251 5.876 -7.581) 23.315 5.623 ( 5.464 8.414 11.191) 15.030 5.752 ( 1.392 7.225 -0.844) 7.406 7.846 ( -3.950 -4.058 3.739) 6.786 7.949 ( -5.998 -3.940 -6.461) 9.656 9.926 ( 16.764 -0.703 7.354) 18.320 10.083 ( 19.377 -1.659 -7.254) 20.757 11.736 ( 1.863 3.481 13.209) 13.786 12.047 ( 1.595 4.752 -15.483) 16.274 12.489 ( 10.719 -1.914 6.181) 12.521 12.643 ( 8.279 -2.402 -7.835) 11.649 14.638 ( 0.344 -1.881 15.065) 15.186 14.964 ( -2.653 1.172 -15.674) 15.940 16.528 ( -9.667 -2.010 15.356) 18.257 16.827 ( -11.073 -1.354 -13.029) 17.153 36.937 ( 8.663 2.683 3.682) 9.788 37.015 ( 8.317 1.493 -3.627) 9.196 40.016 ( 0.003 -0.443 5.304) 5.323 40.151 ( -1.033 -2.658 -7.334) 7.869 54.750 ( -26.774 19.520 20.024) 38.715 55.225 ( -35.296 17.784 -25.056) 46.796 ======================= Grid point 709 (221/240) ======================= q-point: ( 0.27 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( 9.100 -3.011 9.195) 13.283 3.076 ( 5.760 -4.754 -7.935) 10.897 3.980 ( 8.225 12.420 10.785) 18.391 4.176 ( 8.505 10.395 -7.883) 15.573 5.805 ( 11.967 -3.788 6.715) 14.235 5.857 ( 8.970 -5.125 1.960) 10.515 7.777 ( -2.991 -3.099 2.505) 4.982 7.855 ( -3.139 -0.890 -5.274) 6.202 10.199 ( 9.823 4.768 10.500) 15.149 10.427 ( 13.942 2.013 -10.620) 17.641 11.822 ( 6.822 0.216 10.473) 12.501 12.093 ( 3.449 4.264 -14.990) 15.962 12.700 ( 9.648 -1.790 5.388) 11.194 12.831 ( 9.731 -1.140 -6.449) 11.729 14.659 ( 1.837 -3.246 11.520) 12.108 14.914 ( -2.150 -0.772 -12.477) 12.684 16.336 ( -9.067 0.962 13.861) 16.591 16.598 ( -11.319 0.792 -11.059) 15.845 37.117 ( 8.832 3.437 3.321) 10.043 37.186 ( 8.352 2.339 -3.179) 9.238 40.018 ( 0.242 -0.764 4.775) 4.842 40.130 ( -1.061 -2.471 -5.684) 6.288 54.220 ( -24.727 21.618 14.324) 35.832 54.542 ( -31.386 20.730 -16.012) 40.880 ======================= Grid point 710 (222/240) ======================= q-point: ( 0.33 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( 10.243 -4.233 6.033) 12.619 3.206 ( 6.864 -5.168 -4.614) 9.753 4.053 ( 0.062 12.583 10.660) 16.491 4.237 ( -1.439 11.827 -6.708) 13.673 6.066 ( 12.763 -12.855 4.245) 18.606 6.082 ( 11.949 -15.112 2.979) 19.494 7.724 ( -2.051 -1.446 3.284) 4.133 7.821 ( -0.388 0.880 -5.970) 6.047 10.327 ( 3.326 9.820 13.102) 16.708 10.633 ( 6.501 7.064 -15.157) 17.942 12.006 ( 10.810 -2.562 7.441) 13.371 12.201 ( 7.139 1.796 -11.189) 13.394 12.864 ( 6.260 -1.746 5.518) 8.525 13.009 ( 7.251 -0.185 -7.549) 10.469 14.713 ( 3.366 -3.576 7.558) 9.013 14.883 ( -0.812 -2.173 -8.404) 8.719 16.170 ( -7.120 3.730 11.309) 13.874 16.378 ( -10.269 2.982 -8.424) 13.613 37.285 ( 7.538 4.138 2.853) 9.060 37.344 ( 6.980 3.250 -2.620) 8.133 40.026 ( 0.498 -1.130 3.965) 4.153 40.109 ( -0.992 -2.315 -3.857) 4.606 53.773 ( -19.070 23.399 9.900) 31.768 53.978 ( -23.877 22.867 -9.485) 34.394 ======================= Grid point 711 (223/240) ======================= q-point: ( 0.40 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.292 ( 8.690 -4.351 3.223) 10.238 3.342 ( 6.275 -4.433 -1.617) 7.851 4.020 ( -2.549 9.681 8.930) 13.415 4.160 ( -5.175 9.635 -4.343) 11.768 6.288 ( 8.675 -18.763 3.706) 21.001 6.298 ( 8.749 -19.916 2.816) 21.934 7.696 ( -0.806 0.330 4.932) 5.009 7.829 ( 0.828 1.913 -7.471) 7.756 10.358 ( 0.221 12.524 13.908) 18.717 10.707 ( 1.433 11.137 -18.455) 21.603 12.233 ( 10.900 -3.209 5.492) 12.620 12.360 ( 7.713 -0.330 -6.635) 10.179 12.950 ( 2.384 -2.209 4.779) 5.779 13.109 ( 2.511 -0.086 -9.144) 9.483 14.784 ( 3.212 -2.908 4.635) 6.344 14.885 ( 1.015 -2.999 -4.941) 5.868 16.054 ( -4.203 5.752 7.924) 10.656 16.190 ( -7.982 4.852 -5.101) 10.643 37.414 ( 5.065 4.646 2.354) 7.265 37.462 ( 4.559 4.053 -2.049) 6.435 40.038 ( 0.682 -1.491 2.885) 3.319 40.090 ( -0.895 -2.174 -2.010) 3.093 53.461 ( -11.559 24.729 6.596) 28.083 53.584 ( -14.944 24.324 -4.973) 28.978 ======================= Grid point 712 (224/240) ======================= q-point: ( 0.47 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.417 ( 3.141 -3.653 2.352) 5.361 3.449 ( 3.540 -3.201 -0.638) 4.815 3.978 ( -1.056 6.753 6.370) 9.343 4.062 ( -3.493 7.014 -1.542) 7.986 6.407 ( 2.935 -21.942 3.810) 22.463 6.420 ( 3.082 -21.533 2.537) 21.900 7.688 ( -0.122 1.394 6.065) 6.224 7.845 ( 0.518 2.522 -8.478) 8.860 10.355 ( -0.221 13.478 13.784) 19.279 10.717 ( -0.019 13.069 -19.774) 23.702 12.416 ( 6.356 -2.318 3.622) 7.674 12.469 ( 1.991 -1.807 -1.607) 3.132 12.975 ( 0.488 -2.748 2.346) 3.646 13.124 ( -0.312 -0.316 -9.916) 9.926 14.828 ( 1.080 -2.137 4.146) 4.787 14.912 ( 1.121 -3.403 -4.034) 5.396 16.005 ( -0.660 6.736 4.369) 8.056 16.066 ( -3.869 6.025 -1.532) 7.322 37.485 ( 1.792 4.885 1.993) 5.572 37.524 ( 1.569 4.548 -1.650) 5.086 40.052 ( 0.653 -1.803 1.628) 2.515 40.073 ( -0.704 -2.004 -0.342) 2.151 53.307 ( -3.638 25.484 4.338) 26.105 53.378 ( -5.277 25.059 -2.158) 25.699 ======================= Grid point 720 (225/240) ======================= q-point: ( 0.00 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 0.000 6.486 6.724) 9.342 2.723 ( 0.000 2.733 -4.775) 5.502 2.727 ( 0.000 5.049 10.781) 11.904 2.960 ( 0.000 -0.971 -11.025) 11.067 6.064 ( 0.000 18.642 14.538) 23.641 6.252 ( 0.000 14.285 -3.097) 14.617 7.969 ( 0.000 -4.484 6.100) 7.571 8.126 ( 0.000 -7.325 -9.374) 11.896 8.980 ( 0.000 -2.119 5.607) 5.994 9.097 ( 0.000 -2.185 -5.392) 5.817 11.789 ( 0.000 0.492 6.522) 6.540 11.927 ( 0.000 -0.735 -6.439) 6.481 12.046 ( 0.000 -1.033 19.420) 19.447 12.441 ( 0.000 -1.948 -17.694) 17.801 14.695 ( 0.000 1.637 22.950) 23.008 15.163 ( 0.000 3.758 -21.169) 21.500 16.773 ( 0.000 -5.499 16.885) 17.758 17.147 ( 0.000 -4.025 -18.417) 18.851 36.653 ( 0.000 1.209 3.020) 3.253 36.717 ( 0.000 0.130 -3.070) 3.073 40.020 ( 0.000 -0.046 2.575) 2.575 40.130 ( 0.000 -2.695 -7.654) 8.115 56.096 ( 0.000 14.624 21.850) 26.292 56.743 ( 0.000 -1.891 -39.825) 39.870 ======================= Grid point 721 (226/240) ======================= q-point: ( 0.07 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( -0.537 4.494 9.731) 10.732 2.795 ( 15.400 4.463 4.810) 16.740 2.927 ( 15.642 2.305 -4.615) 16.470 2.967 ( 5.135 -0.091 -8.485) 9.918 6.020 ( -4.111 17.816 14.134) 23.110 6.199 ( -4.996 13.762 -2.667) 14.881 7.932 ( -3.207 -3.800 5.725) 7.583 8.080 ( -3.995 -5.772 -8.819) 11.272 9.126 ( 13.493 -2.810 5.641) 14.892 9.245 ( 13.768 -2.811 -5.643) 15.143 11.799 ( 0.361 1.284 8.347) 8.453 11.921 ( 1.010 -2.735 -0.812) 3.026 12.126 ( 6.747 0.486 10.422) 12.425 12.448 ( 0.867 -1.565 -16.505) 16.602 14.682 ( -1.235 1.436 22.281) 22.361 15.139 ( -2.256 3.471 -20.861) 21.268 16.733 ( -3.847 -5.097 16.695) 17.875 17.099 ( -4.619 -3.792 -17.855) 18.829 36.695 ( 4.138 1.322 3.003) 5.281 36.759 ( 4.023 0.239 -2.978) 5.011 40.018 ( -0.178 -0.064 2.630) 2.637 40.126 ( -0.375 -2.651 -7.423) 7.891 55.963 ( -12.783 14.967 20.602) 28.493 56.567 ( -16.795 -0.253 -36.964) 40.602 ======================= Grid point 722 (227/240) ======================= q-point: ( 0.13 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( 0.528 3.078 9.420) 9.924 2.898 ( -0.047 -2.136 -9.045) 9.293 3.317 ( 26.323 4.619 5.113) 27.209 3.419 ( 27.032 1.709 -4.436) 27.446 5.911 ( -6.225 14.753 12.899) 20.562 6.063 ( -7.993 11.717 -1.393) 14.252 7.858 ( -3.733 -2.695 4.961) 6.768 7.989 ( -4.556 -3.105 -7.955) 9.679 9.478 ( 20.090 -3.313 5.899) 21.198 9.605 ( 20.553 -3.259 -6.032) 21.666 11.792 ( -0.630 1.690 12.646) 12.774 11.985 ( 4.607 -3.208 -3.889) 6.830 12.294 ( 9.493 1.901 4.033) 10.488 12.486 ( 3.325 -1.146 -12.389) 12.879 14.651 ( -1.668 0.895 20.291) 20.380 15.076 ( -3.797 2.676 -19.829) 20.366 16.626 ( -6.448 -3.945 16.107) 17.792 16.969 ( -7.896 -3.093 -16.318) 18.390 36.814 ( 7.435 1.645 2.943) 8.164 36.874 ( 7.209 0.555 -2.711) 7.722 40.013 ( -0.265 -0.129 2.756) 2.772 40.115 ( -0.672 -2.530 -6.749) 7.239 55.604 ( -21.754 15.826 17.454) 32.068 56.102 ( -27.913 3.761 -29.821) 41.020 ======================= Grid point 723 (228/240) ======================= q-point: ( 0.20 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 3.809 1.110 8.174) 9.086 2.914 ( 2.084 -3.240 -8.089) 8.960 3.838 ( 23.389 5.480 6.294) 24.834 3.959 ( 24.662 2.857 -5.166) 25.359 5.788 ( -5.350 7.867 10.745) 14.351 5.897 ( -7.805 6.798 0.535) 10.364 7.791 ( -2.824 -1.583 4.287) 5.372 7.907 ( -3.316 -0.766 -7.278) 8.034 9.895 ( 20.221 -2.045 6.595) 21.367 10.036 ( 21.136 -2.723 -6.529) 22.288 11.790 ( 0.784 1.906 14.517) 14.662 12.078 ( 4.074 -1.168 -11.113) 11.894 12.490 ( 9.344 1.700 2.446) 9.807 12.603 ( 8.474 -1.615 -7.159) 11.210 14.623 ( -0.814 0.222 17.067) 17.088 14.993 ( -4.157 1.650 -17.792) 18.345 16.484 ( -7.249 -2.209 14.995) 16.801 16.791 ( -9.352 -1.929 -14.074) 17.008 36.987 ( 9.299 2.123 2.825) 9.948 37.041 ( 8.980 1.039 -2.302) 9.329 40.008 ( -0.216 -0.259 2.856) 2.875 40.100 ( -0.843 -2.363 -5.699) 6.227 55.121 ( -25.075 16.871 13.681) 33.174 55.490 ( -31.254 8.387 -21.354) 38.770 ======================= Grid point 724 (229/240) ======================= q-point: ( 0.27 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( 7.284 -0.921 6.470) 9.786 2.987 ( 5.041 -4.039 -5.987) 8.807 4.206 ( 12.001 9.562 8.250) 17.422 4.357 ( 13.369 7.189 -6.133) 16.372 5.720 ( -0.836 -4.004 8.102) 9.076 5.783 ( -2.504 -2.312 2.089) 3.997 7.748 ( -1.374 0.009 4.132) 4.354 7.860 ( -1.229 1.020 -6.926) 7.108 10.263 ( 15.391 1.756 8.035) 17.451 10.431 ( 17.356 -1.170 -7.656) 19.006 11.838 ( 4.277 1.236 13.788) 14.489 12.152 ( 3.670 1.478 -15.370) 15.871 12.667 ( 8.122 -1.262 5.036) 9.640 12.803 ( 10.087 -1.581 -7.025) 12.394 14.627 ( 1.286 -0.261 12.862) 12.929 14.917 ( -3.177 0.913 -14.463) 14.836 16.342 ( -6.555 -0.187 13.151) 14.695 16.600 ( -9.340 -0.378 -11.285) 14.654 37.180 ( 9.489 2.671 2.642) 10.205 37.227 ( 9.115 1.626 -1.805) 9.433 40.005 ( -0.052 -0.466 2.817) 2.855 40.082 ( -0.884 -2.184 -4.376) 4.970 54.624 ( -23.209 17.872 10.297) 31.050 54.879 ( -28.264 12.402 -13.817) 33.817 ======================= Grid point 725 (230/240) ======================= q-point: ( 0.33 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( 9.408 -2.371 4.641) 10.755 3.112 ( 7.131 -4.094 -3.422) 8.906 4.316 ( -0.408 13.109 9.633) 16.273 4.475 ( -1.148 11.465 -5.390) 12.721 5.764 ( 4.830 -15.413 6.053) 17.249 5.807 ( 4.130 -12.815 1.837) 13.589 7.736 ( 0.144 2.228 4.645) 5.154 7.857 ( 0.746 2.209 -6.932) 7.313 10.502 ( 8.156 7.294 10.184) 14.948 10.721 ( 11.024 1.825 -10.142) 15.090 11.970 ( 8.643 -0.922 11.335) 14.284 12.242 ( 5.405 2.006 -14.146) 15.276 12.806 ( 5.203 -3.524 6.211) 8.836 12.978 ( 6.690 -2.634 -9.191) 11.669 14.678 ( 3.645 -0.261 8.311) 9.079 14.872 ( -1.140 0.863 -10.004) 10.106 16.224 ( -5.003 1.740 10.523) 11.781 16.420 ( -8.376 1.312 -8.022) 11.671 37.360 ( 8.088 3.189 2.410) 9.022 37.400 ( 7.713 2.225 -1.293) 8.131 40.006 ( 0.165 -0.739 2.551) 2.661 40.065 ( -0.832 -2.009 -2.913) 3.635 54.204 ( -17.852 18.733 7.628) 26.978 54.370 ( -21.656 15.425 -8.009) 27.768 ======================= Grid point 726 (231/240) ======================= q-point: ( 0.40 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.219 ( 8.955 -2.781 3.214) 9.912 3.265 ( 7.577 -3.171 -1.120) 8.290 4.241 ( -5.651 11.970 8.931) 15.968 4.368 ( -7.851 10.621 -2.949) 13.533 5.878 ( 5.472 -20.412 4.200) 21.546 5.905 ( 4.629 -18.993 1.669) 19.620 7.749 ( 1.015 4.425 5.420) 7.070 7.882 ( 1.525 2.857 -7.021) 7.732 10.607 ( 2.810 11.898 11.830) 17.012 10.879 ( 4.866 5.635 -13.240) 15.190 12.169 ( 10.268 -2.977 8.694) 13.779 12.362 ( 5.696 0.325 -8.865) 10.542 12.875 ( 1.810 -4.577 4.468) 6.648 13.062 ( 1.632 -4.184 -11.440) 12.290 14.762 ( 4.239 0.351 4.513) 6.202 14.869 ( 0.680 1.080 -5.632) 5.775 16.144 ( -2.842 3.228 7.326) 8.494 16.267 ( -6.558 2.773 -4.390) 8.365 37.499 ( 5.410 3.582 2.171) 6.842 37.531 ( 5.110 2.727 -0.850) 5.854 40.012 ( 0.360 -1.041 2.014) 2.295 40.049 ( -0.730 -1.835 -1.457) 2.454 53.913 ( -10.746 19.384 5.494) 22.834 54.012 ( -13.578 17.453 -3.807) 22.438 ======================= Grid point 727 (232/240) ======================= q-point: ( 0.47 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.360 ( 4.108 -1.932 2.977) 5.429 3.393 ( 4.082 -2.284 -0.149) 4.680 4.142 ( -2.900 9.337 6.845) 11.935 4.220 ( -5.139 8.324 -0.383) 9.790 5.959 ( 2.134 -21.520 3.131) 21.851 5.972 ( 1.740 -21.683 1.901) 21.836 7.768 ( 0.580 5.761 5.917) 8.278 7.908 ( 0.746 3.076 -7.005) 7.687 10.637 ( 0.536 14.177 12.421) 18.857 10.936 ( 1.169 8.150 -15.120) 17.216 12.354 ( 7.178 -3.538 5.571) 9.750 12.431 ( 0.157 -2.089 -0.564) 2.169 12.896 ( 0.646 -4.212 -0.053) 4.262 13.061 ( -0.847 -5.476 -12.677) 13.835 14.828 ( 1.842 1.619 2.556) 3.542 14.887 ( 0.706 0.511 -3.191) 3.308 16.114 ( -0.100 4.104 3.958) 5.703 16.163 ( -3.416 3.574 -0.734) 4.998 37.574 ( 1.902 3.789 2.006) 4.690 37.602 ( 1.781 3.019 -0.579) 3.553 40.020 ( 0.405 -1.312 1.251) 1.858 40.036 ( -0.520 -1.654 -0.197) 1.745 53.771 ( -3.316 19.749 3.795) 20.381 53.824 ( -4.842 18.478 -1.082) 19.133 ======================= Grid point 735 (233/240) ======================= q-point: ( 0.00 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( 0.000 3.070 3.367) 4.557 2.754 ( 0.000 0.323 -1.662) 1.693 2.819 ( 0.000 3.310 4.950) 5.955 2.937 ( 0.000 -1.198 -5.857) 5.978 6.344 ( 0.000 8.830 9.424) 12.914 6.425 ( 0.000 2.897 1.524) 3.274 7.915 ( 0.000 -1.206 4.303) 4.469 8.033 ( 0.000 -2.196 -7.696) 8.003 8.951 ( 0.000 -0.760 5.530) 5.582 9.065 ( 0.000 -0.876 -5.221) 5.294 11.796 ( 0.000 0.208 5.613) 5.616 11.916 ( 0.000 -0.288 -5.650) 5.658 12.027 ( 0.000 -0.589 19.150) 19.159 12.403 ( 0.000 -1.285 -16.095) 16.147 14.717 ( 0.000 0.503 24.750) 24.755 15.215 ( 0.000 1.372 -22.337) 22.379 16.695 ( 0.000 -2.079 17.300) 17.425 17.091 ( 0.000 -1.446 -19.962) 20.015 36.671 ( 0.000 0.517 2.199) 2.259 36.718 ( 0.000 -0.017 -2.259) 2.259 40.021 ( 0.000 0.157 0.371) 0.403 40.089 ( 0.000 -1.247 -5.953) 6.082 56.367 ( 0.000 11.746 3.327) 12.208 56.632 ( 0.000 -8.005 -21.920) 23.336 ======================= Grid point 736 (234/240) ======================= q-point: ( 0.07 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( -1.068 3.079 3.928) 5.104 2.846 ( 7.165 0.588 0.058) 7.189 2.957 ( 14.052 0.969 -1.258) 14.142 2.969 ( 12.631 -0.063 -2.251) 12.830 6.289 ( -5.299 8.398 9.646) 13.843 6.371 ( -5.254 3.191 1.664) 6.368 7.885 ( -2.645 -1.110 4.467) 5.309 8.007 ( -2.325 -1.720 -7.839) 8.356 9.086 ( 12.741 -1.045 5.651) 13.977 9.205 ( 13.146 -1.108 -5.529) 14.304 11.822 ( 1.648 1.089 5.503) 5.847 11.869 ( -1.533 -2.102 3.756) 4.569 12.136 ( 8.262 0.334 8.173) 11.627 12.418 ( 1.554 -1.014 -14.682) 14.799 14.702 ( -1.371 0.509 23.931) 23.976 15.188 ( -2.584 1.304 -21.987) 22.177 16.660 ( -3.334 -1.953 16.981) 17.415 17.045 ( -4.354 -1.394 -19.299) 19.833 36.715 ( 4.291 0.557 2.203) 4.855 36.761 ( 4.178 0.026 -2.148) 4.698 40.019 ( -0.203 0.150 0.464) 0.528 40.085 ( -0.313 -1.228 -5.755) 5.893 56.235 ( -12.747 11.415 3.323) 17.431 56.484 ( -14.137 -6.897 -20.505) 25.843 ======================= Grid point 737 (235/240) ======================= q-point: ( 0.13 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( -0.730 2.684 3.931) 4.815 2.856 ( -1.044 -1.879 -4.538) 5.022 3.380 ( 25.845 1.678 2.934) 26.065 3.437 ( 27.018 0.242 -2.397) 27.125 6.137 ( -9.558 6.859 10.111) 15.512 6.219 ( -9.479 3.545 1.952) 10.306 7.824 ( -3.034 -0.867 4.712) 5.671 7.952 ( -2.828 -0.834 -8.044) 8.568 9.429 ( 20.069 -1.372 5.910) 20.966 9.556 ( 20.436 -1.379 -6.054) 21.358 11.812 ( -0.811 0.472 10.847) 10.888 11.926 ( 5.203 -1.965 -0.315) 5.571 12.329 ( 10.548 1.166 1.680) 10.744 12.467 ( 3.322 -0.668 -10.260) 10.805 14.667 ( -1.926 0.503 21.515) 21.607 15.116 ( -4.372 1.107 -20.864) 21.346 16.568 ( -5.473 -1.581 16.086) 17.065 16.924 ( -7.325 -1.218 -17.450) 18.964 36.839 ( 7.718 0.674 2.198) 8.053 36.881 ( 7.495 0.148 -1.833) 7.718 40.014 ( -0.329 0.126 0.708) 0.791 40.076 ( -0.561 -1.176 -5.183) 5.344 55.877 ( -21.723 10.556 3.361) 24.384 56.089 ( -23.879 -4.094 -16.882) 29.529 ======================= Grid point 738 (236/240) ======================= q-point: ( 0.20 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( 2.172 1.814 3.481) 4.487 2.856 ( 1.436 -2.307 -4.002) 4.837 3.908 ( 24.928 1.675 4.066) 25.313 3.990 ( 26.285 0.582 -3.684) 26.548 5.913 ( -12.179 3.800 10.444) 16.488 5.998 ( -12.037 2.763 2.104) 12.528 7.774 ( -1.699 -0.321 4.767) 5.071 7.902 ( -1.897 0.001 -7.859) 8.085 9.861 ( 21.767 -1.087 5.961) 22.595 9.991 ( 21.598 -1.397 -6.169) 22.505 11.815 ( 1.174 0.592 13.649) 13.712 12.043 ( 6.016 -1.346 -6.939) 9.282 12.532 ( 7.082 1.994 -1.534) 7.516 12.573 ( 9.118 -1.504 -4.648) 10.344 14.634 ( -1.101 0.454 17.755) 17.795 15.021 ( -4.695 0.862 -18.771) 19.368 16.450 ( -5.955 -0.997 14.689) 15.882 16.761 ( -8.444 -0.865 -14.737) 17.006 37.017 ( 9.665 0.850 2.155) 9.939 37.055 ( 9.352 0.323 -1.362) 9.457 40.007 ( -0.336 0.073 1.017) 1.074 40.063 ( -0.705 -1.100 -4.298) 4.492 55.394 ( -25.046 9.492 3.521) 27.015 55.561 ( -27.250 -0.714 -12.392) 29.944 ======================= Grid point 739 (237/240) ======================= q-point: ( 0.27 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( 5.715 0.672 3.085) 6.530 2.920 ( 4.901 -2.327 -2.951) 6.176 4.340 ( 16.527 3.492 5.738) 17.840 4.451 ( 17.949 2.221 -4.859) 18.727 5.666 ( -11.271 -1.264 10.439) 15.414 5.756 ( -10.912 -0.528 1.583) 11.039 7.760 ( 0.359 0.665 4.616) 4.678 7.880 ( -0.238 0.645 -7.096) 7.130 10.281 ( 19.112 0.324 5.552) 19.905 10.401 ( 18.416 -1.221 -5.595) 19.286 11.862 ( 3.613 0.828 14.720) 15.179 12.161 ( 5.555 -0.118 -12.834) 13.985 12.651 ( 5.558 -0.433 3.681) 6.680 12.777 ( 9.378 -0.737 -7.400) 11.969 14.632 ( 1.158 0.391 13.291) 13.348 14.938 ( -3.260 0.778 -15.503) 15.862 16.335 ( -5.174 -0.295 12.755) 13.768 16.591 ( -8.183 -0.323 -11.471) 14.095 37.218 ( 9.877 1.061 2.051) 10.144 37.248 ( 9.512 0.517 -0.811) 9.560 40.001 ( -0.233 -0.018 1.278) 1.299 40.049 ( -0.737 -1.007 -3.201) 3.435 54.898 ( -23.129 8.568 3.766) 24.951 55.024 ( -25.037 2.297 -8.150) 26.430 ======================= Grid point 740 (238/240) ======================= q-point: ( 0.33 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( 8.426 -0.403 2.921) 8.927 3.050 ( 7.736 -1.858 -1.689) 8.134 4.534 ( 2.077 7.046 7.730) 10.663 4.658 ( 1.418 5.622 -3.945) 7.013 5.514 ( -2.475 -7.853 8.573) 11.886 5.600 ( -3.641 -6.411 0.261) 7.378 7.786 ( 2.135 1.955 4.254) 5.145 7.891 ( 1.181 0.914 -5.838) 6.026 10.612 ( 13.179 3.519 5.150) 14.581 10.721 ( 12.924 -1.154 -4.883) 13.864 11.966 ( 6.663 0.154 14.036) 15.538 12.271 ( 5.323 0.725 -14.039) 15.032 12.748 ( 3.757 -1.711 5.284) 6.706 12.927 ( 5.065 -1.770 -10.499) 11.791 14.684 ( 3.863 0.423 8.910) 9.721 14.897 ( -0.766 0.988 -11.181) 11.251 16.244 ( -3.792 0.397 10.226) 10.914 16.435 ( -7.221 0.311 -7.871) 10.686 37.406 ( 8.435 1.282 1.889) 8.738 37.429 ( 8.065 0.688 -0.258) 8.099 39.998 ( -0.062 -0.145 1.382) 1.391 40.034 ( -0.682 -0.905 -2.019) 2.315 54.481 ( -17.699 7.991 3.874) 19.802 54.570 ( -19.384 4.498 -4.606) 20.425 ======================= Grid point 741 (239/240) ======================= q-point: ( 0.40 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.183 ( 9.102 -0.846 2.991) 9.618 3.220 ( 8.510 -1.185 -0.462) 8.605 4.457 ( -7.622 7.740 7.928) 13.448 4.546 ( -9.857 5.706 -0.182) 11.391 5.548 ( 3.967 -10.330 4.387) 11.904 5.596 ( 1.930 -9.755 0.027) 9.945 7.838 ( 2.649 3.326 3.564) 5.548 7.920 ( 1.425 0.623 -4.249) 4.524 10.809 ( 6.515 7.657 5.424) 11.423 10.922 ( 7.013 -1.227 -4.927) 8.658 12.125 ( 8.714 -1.182 11.729) 14.660 12.369 ( 3.811 0.249 -9.257) 10.014 12.802 ( 1.897 -2.016 1.504) 3.150 12.978 ( 0.045 -3.064 -12.609) 12.976 14.778 ( 4.955 0.683 5.014) 7.082 14.900 ( 0.718 1.209 -6.568) 6.717 16.185 ( -1.992 0.961 7.155) 7.489 16.302 ( -5.718 0.863 -4.074) 7.074 37.551 ( 5.661 1.495 1.691) 6.094 37.566 ( 5.345 0.786 0.220) 5.407 39.999 ( 0.125 -0.293 1.249) 1.289 40.021 ( -0.574 -0.797 -0.889) 1.325 54.193 ( -10.590 7.744 3.543) 13.589 54.249 ( -12.229 5.855 -1.751) 13.671 ======================= Grid point 742 (240/240) ======================= q-point: ( 0.47 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.339 ( 5.122 -0.299 2.761) 5.826 3.360 ( 4.114 -1.001 0.802) 4.310 4.316 ( -4.324 6.421 6.372) 10.026 4.359 ( -6.515 4.214 2.446) 8.136 5.618 ( 2.279 -10.332 2.043) 10.776 5.631 ( 0.864 -10.258 0.817) 10.327 7.881 ( 1.288 4.639 2.715) 5.527 7.941 ( 0.528 -0.203 -2.830) 2.886 10.890 ( 1.799 10.232 5.819) 11.908 11.012 ( 2.078 -1.100 -5.300) 5.798 12.295 ( 7.308 -1.864 7.872) 10.902 12.394 ( -1.894 -1.211 0.641) 2.338 12.844 ( 2.301 -0.595 -6.204) 6.643 12.945 ( -2.457 -4.731 -12.937) 13.993 14.865 ( 3.171 1.332 1.554) 3.774 14.908 ( -0.330 0.884 -2.543) 2.712 16.168 ( 0.453 1.349 3.686) 3.951 16.209 ( -3.345 1.120 -0.226) 3.535 37.629 ( 2.004 1.686 1.520) 3.028 37.640 ( 1.853 0.768 0.537) 2.076 40.003 ( 0.264 -0.413 0.848) 0.979 40.011 ( -0.412 -0.707 0.055) 0.820 54.054 ( -3.152 7.765 2.669) 8.795 54.079 ( -4.492 6.404 0.406) 7.833 =================== 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 3/35640 10.0 4087.830 5087.595 5760.378 0.000 0.000 0.000 3/35640 20.0 1532.143 1574.918 1681.067 0.000 0.000 0.000 3/35640 30.0 741.598 615.387 669.813 0.000 0.000 0.000 3/35640 40.0 454.378 327.266 361.949 0.000 0.000 0.000 3/35640 50.0 307.834 206.319 230.962 0.000 0.000 0.000 3/35640 60.0 220.870 143.700 162.090 0.000 0.000 0.000 3/35640 70.0 165.527 106.528 120.742 0.000 0.000 0.000 3/35640 80.0 128.485 82.364 93.690 0.000 0.000 0.000 3/35640 90.0 102.679 65.683 74.960 0.000 0.000 0.000 3/35640 100.0 84.107 53.689 61.475 0.000 0.000 0.000 3/35640 110.0 70.375 44.804 51.480 0.000 0.000 0.000 3/35640 120.0 59.979 38.064 43.895 0.000 0.000 0.000 3/35640 130.0 51.943 32.848 38.021 0.000 0.000 0.000 3/35640 140.0 45.613 28.738 33.388 0.000 0.000 0.000 3/35640 150.0 40.541 25.447 29.673 0.000 0.000 0.000 3/35640 160.0 36.414 22.772 26.650 0.000 0.000 0.000 3/35640 170.0 33.008 20.569 24.155 0.000 0.000 0.000 3/35640 180.0 30.160 18.730 22.069 0.000 0.000 0.000 3/35640 190.0 27.750 17.179 20.306 0.000 0.000 0.000 3/35640 200.0 25.690 15.856 18.799 0.000 0.000 0.000 3/35640 210.0 23.910 14.716 17.498 0.000 0.000 0.000 3/35640 220.0 22.360 13.725 16.365 0.000 0.000 0.000 3/35640 230.0 20.997 12.857 15.370 0.000 0.000 0.000 3/35640 240.0 19.791 12.091 14.489 0.000 0.000 0.000 3/35640 250.0 18.716 11.409 13.705 0.000 0.000 0.000 3/35640 260.0 17.751 10.799 13.002 0.000 0.000 0.000 3/35640 270.0 16.881 10.249 12.367 0.000 0.000 0.000 3/35640 280.0 16.091 9.751 11.792 0.000 0.000 0.000 3/35640 290.0 15.371 9.297 11.268 0.000 0.000 0.000 3/35640 300.0 14.711 8.882 10.788 0.000 0.000 0.000 3/35640 310.0 14.104 8.501 10.346 0.000 0.000 0.000 3/35640 320.0 13.543 8.149 9.939 0.000 0.000 0.000 3/35640 330.0 13.023 7.823 9.561 0.000 0.000 0.000 3/35640 340.0 12.540 7.520 9.211 0.000 0.000 0.000 3/35640 350.0 12.089 7.238 8.883 0.000 0.000 0.000 3/35640 360.0 11.668 6.974 8.578 0.000 0.000 0.000 3/35640 370.0 11.273 6.727 8.291 0.000 0.000 0.000 3/35640 380.0 10.902 6.496 8.022 0.000 0.000 0.000 3/35640 390.0 10.553 6.277 7.769 0.000 0.000 0.000 3/35640 400.0 10.223 6.072 7.530 0.000 0.000 0.000 3/35640 410.0 9.912 5.878 7.304 0.000 0.000 0.000 3/35640 420.0 9.617 5.694 7.090 0.000 0.000 0.000 3/35640 430.0 9.338 5.520 6.888 0.000 0.000 0.000 3/35640 440.0 9.073 5.356 6.696 0.000 0.000 0.000 3/35640 450.0 8.821 5.199 6.513 0.000 0.000 0.000 3/35640 460.0 8.581 5.051 6.339 0.000 0.000 0.000 3/35640 470.0 8.353 4.909 6.174 0.000 0.000 0.000 3/35640 480.0 8.135 4.775 6.016 0.000 0.000 0.000 3/35640 490.0 7.928 4.646 5.865 0.000 0.000 0.000 3/35640 500.0 7.730 4.524 5.721 0.000 0.000 0.000 3/35640 510.0 7.540 4.407 5.584 0.000 0.000 0.000 3/35640 520.0 7.359 4.296 5.452 0.000 0.000 0.000 3/35640 530.0 7.185 4.189 5.326 0.000 0.000 0.000 3/35640 540.0 7.019 4.087 5.205 0.000 0.000 0.000 3/35640 550.0 6.860 3.990 5.089 0.000 0.000 0.000 3/35640 560.0 6.707 3.896 4.978 0.000 0.000 0.000 3/35640 570.0 6.560 3.807 4.871 0.000 0.000 0.000 3/35640 580.0 6.419 3.721 4.769 0.000 0.000 0.000 3/35640 590.0 6.284 3.638 4.670 0.000 0.000 0.000 3/35640 600.0 6.154 3.559 4.575 0.000 0.000 0.000 3/35640 610.0 6.028 3.483 4.484 0.000 0.000 0.000 3/35640 620.0 5.908 3.410 4.396 0.000 0.000 0.000 3/35640 630.0 5.792 3.340 4.311 0.000 0.000 0.000 3/35640 640.0 5.680 3.272 4.229 0.000 0.000 0.000 3/35640 650.0 5.572 3.207 4.150 0.000 0.000 0.000 3/35640 660.0 5.467 3.145 4.074 0.000 0.000 0.000 3/35640 670.0 5.367 3.084 4.000 0.000 0.000 0.000 3/35640 680.0 5.270 3.026 3.929 0.000 0.000 0.000 3/35640 690.0 5.176 2.970 3.861 0.000 0.000 0.000 3/35640 700.0 5.085 2.915 3.794 0.000 0.000 0.000 3/35640 710.0 4.998 2.863 3.730 0.000 0.000 0.000 3/35640 720.0 4.913 2.812 3.668 0.000 0.000 0.000 3/35640 730.0 4.831 2.763 3.608 0.000 0.000 0.000 3/35640 740.0 4.751 2.716 3.549 0.000 0.000 0.000 3/35640 750.0 4.674 2.670 3.493 0.000 0.000 0.000 3/35640 760.0 4.600 2.626 3.438 0.000 0.000 0.000 3/35640 770.0 4.527 2.583 3.385 0.000 0.000 0.000 3/35640 780.0 4.457 2.542 3.334 0.000 0.000 0.000 3/35640 790.0 4.389 2.502 3.284 0.000 0.000 0.000 3/35640 800.0 4.323 2.463 3.235 0.000 0.000 0.000 3/35640 810.0 4.259 2.425 3.188 0.000 0.000 0.000 3/35640 820.0 4.197 2.388 3.142 0.000 0.000 0.000 3/35640 830.0 4.136 2.352 3.097 0.000 0.000 0.000 3/35640 840.0 4.078 2.318 3.054 0.000 0.000 0.000 3/35640 850.0 4.020 2.284 3.012 0.000 0.000 0.000 3/35640 860.0 3.965 2.252 2.971 0.000 0.000 0.000 3/35640 870.0 3.911 2.220 2.931 0.000 0.000 0.000 3/35640 880.0 3.858 2.189 2.892 0.000 0.000 0.000 3/35640 890.0 3.807 2.159 2.854 0.000 0.000 0.000 3/35640 900.0 3.757 2.130 2.817 0.000 0.000 0.000 3/35640 910.0 3.708 2.101 2.781 0.000 0.000 0.000 3/35640 920.0 3.661 2.074 2.746 0.000 0.000 0.000 3/35640 930.0 3.615 2.047 2.712 0.000 0.000 0.000 3/35640 940.0 3.570 2.021 2.679 0.000 0.000 0.000 3/35640 950.0 3.526 1.995 2.646 0.000 0.000 0.000 3/35640 960.0 3.483 1.970 2.615 0.000 0.000 0.000 3/35640 970.0 3.441 1.946 2.584 0.000 0.000 0.000 3/35640 980.0 3.400 1.922 2.554 0.000 0.000 0.000 3/35640 990.0 3.360 1.899 2.524 0.000 0.000 0.000 3/35640 1000.0 3.321 1.876 2.495 0.000 0.000 0.000 3/35640 Thermal conductivity related properties were written into "kappa-m15119.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:35:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|