----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:49:33]------------------------- 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: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.955695834294712 1.129121516383079 10.142703203333323 b -1.955695834294709 1.129121516383079 10.142703203333323 c 0.000000000000002 -2.258243032766162 10.142703203333323 Atomic positions (fractional): *1 Zn 0.80401005174136 0.80401005174137 0.80401005174136 65.380 2 Zn 0.19598994825863 0.19598994825864 0.19598994825864 65.380 *3 P 0.88674009571047 0.88674009571048 0.88674009571047 30.974 4 P 0.11325990428952 0.11325990428953 0.11325990428952 30.974 *5 O 0.30508625057863 0.30508625057863 0.30508625057863 15.999 6 O 0.69491374942137 0.69491374942138 0.69491374942137 15.999 *7 Sm 0.61905908771830 0.61905908771831 0.61905908771830 150.360 8 Sm 0.38094091228170 0.38094091228170 0.38094091228170 150.360 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.911391668589421 0.000000000000000 0.000000000000000 b -1.955695834294711 3.387364549149242 0.000000000000000 c 0.000000000000000 0.000000000000000 30.428109610000000 Atomic positions (fractional): *1 Zn 0.00000000000000 0.00000000000000 0.80401005174136 65.380 > 1 2 Zn 0.33333333333333 0.66666666666667 0.86265661492530 65.380 > 2 3 Zn 0.66666666666667 0.33333333333333 0.13734338507470 65.380 > 1 4 Zn 0.00000000000000 0.00000000000000 0.19598994825864 65.380 > 2 5 Zn 0.33333333333333 0.66666666666667 0.47067671840803 65.380 > 1 6 Zn 0.66666666666667 0.33333333333333 0.52932328159197 65.380 > 2 *7 P 0.00000000000000 0.00000000000000 0.88674009571047 30.974 > 3 8 P 0.33333333333333 0.66666666666667 0.77992657095619 30.974 > 4 9 P 0.66666666666667 0.33333333333333 0.22007342904381 30.974 > 3 10 P 0.00000000000000 0.00000000000000 0.11325990428952 30.974 > 4 11 P 0.33333333333333 0.66666666666667 0.55340676237714 30.974 > 3 12 P 0.66666666666667 0.33333333333333 0.44659323762286 30.974 > 4 *13 O 0.33333333333333 0.66666666666667 0.97175291724529 15.999 > 5 14 O 0.00000000000000 0.00000000000000 0.69491374942137 15.999 > 6 15 O 0.00000000000000 0.00000000000000 0.30508625057863 15.999 > 5 16 O 0.66666666666667 0.33333333333333 0.02824708275471 15.999 > 6 17 O 0.66666666666667 0.33333333333333 0.63841958391196 15.999 > 5 18 O 0.33333333333333 0.66666666666667 0.36158041608804 15.999 > 6 *19 Sm 0.66666666666667 0.33333333333333 0.95239242105164 150.360 > 7 20 Sm 0.66666666666667 0.33333333333333 0.71427424561503 150.360 > 8 21 Sm 0.33333333333333 0.66666666666667 0.28572575438497 150.360 > 7 22 Sm 0.33333333333333 0.66666666666667 0.04760757894836 150.360 > 8 23 Sm 0.00000000000000 0.00000000000000 0.61905908771830 150.360 > 7 24 Sm 0.00000000000000 0.00000000000000 0.38094091228170 150.360 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.822783337178842 0.000000000000000 0.000000000000000 b -3.911391668589422 6.774729098298484 0.000000000000000 c 0.000000000000000 0.000000000000000 30.428109610000000 Atomic positions (fractional): *1 Zn 0.00000000000000 0.00000000000000 0.80401005174136 65.380 > 1 2 Zn 0.50000000000000 0.00000000000000 0.80401005174136 65.380 > 1 3 Zn 0.00000000000000 0.50000000000000 0.80401005174136 65.380 > 1 4 Zn 0.50000000000000 0.50000000000000 0.80401005174136 65.380 > 1 5 Zn 0.16666666666667 0.33333333333333 0.86265661492530 65.380 > 2 6 Zn 0.66666666666667 0.33333333333333 0.86265661492530 65.380 > 2 7 Zn 0.16666666666667 0.83333333333333 0.86265661492530 65.380 > 2 8 Zn 0.66666666666667 0.83333333333333 0.86265661492530 65.380 > 2 9 Zn 0.33333333333333 0.16666666666667 0.13734338507470 65.380 > 1 10 Zn 0.83333333333333 0.16666666666667 0.13734338507470 65.380 > 1 11 Zn 0.33333333333333 0.66666666666667 0.13734338507470 65.380 > 1 12 Zn 0.83333333333333 0.66666666666667 0.13734338507470 65.380 > 1 13 Zn 0.00000000000000 0.00000000000000 0.19598994825864 65.380 > 2 14 Zn 0.50000000000000 0.00000000000000 0.19598994825864 65.380 > 2 15 Zn 0.00000000000000 0.50000000000000 0.19598994825864 65.380 > 2 16 Zn 0.50000000000000 0.50000000000000 0.19598994825864 65.380 > 2 17 Zn 0.16666666666667 0.33333333333333 0.47067671840803 65.380 > 1 18 Zn 0.66666666666667 0.33333333333333 0.47067671840803 65.380 > 1 19 Zn 0.16666666666667 0.83333333333333 0.47067671840803 65.380 > 1 20 Zn 0.66666666666667 0.83333333333333 0.47067671840803 65.380 > 1 21 Zn 0.33333333333333 0.16666666666667 0.52932328159197 65.380 > 2 22 Zn 0.83333333333333 0.16666666666667 0.52932328159197 65.380 > 2 23 Zn 0.33333333333333 0.66666666666667 0.52932328159197 65.380 > 2 24 Zn 0.83333333333333 0.66666666666667 0.52932328159197 65.380 > 2 *25 P 0.00000000000000 0.00000000000000 0.88674009571047 30.974 > 3 26 P 0.50000000000000 0.00000000000000 0.88674009571047 30.974 > 3 27 P 0.00000000000000 0.50000000000000 0.88674009571047 30.974 > 3 28 P 0.50000000000000 0.50000000000000 0.88674009571047 30.974 > 3 29 P 0.16666666666667 0.33333333333333 0.77992657095619 30.974 > 4 30 P 0.66666666666667 0.33333333333333 0.77992657095619 30.974 > 4 31 P 0.16666666666667 0.83333333333333 0.77992657095619 30.974 > 4 32 P 0.66666666666667 0.83333333333333 0.77992657095619 30.974 > 4 33 P 0.33333333333333 0.16666666666667 0.22007342904381 30.974 > 3 34 P 0.83333333333333 0.16666666666667 0.22007342904381 30.974 > 3 35 P 0.33333333333333 0.66666666666667 0.22007342904381 30.974 > 3 36 P 0.83333333333333 0.66666666666667 0.22007342904381 30.974 > 3 37 P 0.00000000000000 0.00000000000000 0.11325990428952 30.974 > 4 38 P 0.50000000000000 0.00000000000000 0.11325990428952 30.974 > 4 39 P 0.00000000000000 0.50000000000000 0.11325990428952 30.974 > 4 40 P 0.50000000000000 0.50000000000000 0.11325990428952 30.974 > 4 41 P 0.16666666666667 0.33333333333333 0.55340676237714 30.974 > 3 42 P 0.66666666666667 0.33333333333333 0.55340676237714 30.974 > 3 43 P 0.16666666666667 0.83333333333333 0.55340676237714 30.974 > 3 44 P 0.66666666666667 0.83333333333333 0.55340676237714 30.974 > 3 45 P 0.33333333333333 0.16666666666667 0.44659323762286 30.974 > 4 46 P 0.83333333333333 0.16666666666667 0.44659323762286 30.974 > 4 47 P 0.33333333333333 0.66666666666667 0.44659323762286 30.974 > 4 48 P 0.83333333333333 0.66666666666667 0.44659323762286 30.974 > 4 *49 O 0.16666666666667 0.33333333333333 0.97175291724529 15.999 > 5 50 O 0.66666666666667 0.33333333333333 0.97175291724529 15.999 > 5 51 O 0.16666666666667 0.83333333333333 0.97175291724529 15.999 > 5 52 O 0.66666666666667 0.83333333333333 0.97175291724529 15.999 > 5 53 O 0.00000000000000 0.00000000000000 0.69491374942137 15.999 > 6 54 O 0.50000000000000 0.00000000000000 0.69491374942137 15.999 > 6 55 O 0.00000000000000 0.50000000000000 0.69491374942137 15.999 > 6 56 O 0.50000000000000 0.50000000000000 0.69491374942137 15.999 > 6 57 O 0.00000000000000 0.00000000000000 0.30508625057863 15.999 > 5 58 O 0.50000000000000 0.00000000000000 0.30508625057863 15.999 > 5 59 O 0.00000000000000 0.50000000000000 0.30508625057863 15.999 > 5 60 O 0.50000000000000 0.50000000000000 0.30508625057863 15.999 > 5 61 O 0.33333333333333 0.16666666666667 0.02824708275471 15.999 > 6 62 O 0.83333333333333 0.16666666666667 0.02824708275471 15.999 > 6 63 O 0.33333333333333 0.66666666666667 0.02824708275471 15.999 > 6 64 O 0.83333333333333 0.66666666666667 0.02824708275471 15.999 > 6 65 O 0.33333333333333 0.16666666666667 0.63841958391196 15.999 > 5 66 O 0.83333333333333 0.16666666666667 0.63841958391196 15.999 > 5 67 O 0.33333333333333 0.66666666666667 0.63841958391196 15.999 > 5 68 O 0.83333333333333 0.66666666666667 0.63841958391196 15.999 > 5 69 O 0.16666666666667 0.33333333333333 0.36158041608804 15.999 > 6 70 O 0.66666666666667 0.33333333333333 0.36158041608804 15.999 > 6 71 O 0.16666666666667 0.83333333333333 0.36158041608804 15.999 > 6 72 O 0.66666666666667 0.83333333333333 0.36158041608804 15.999 > 6 *73 Sm 0.33333333333333 0.16666666666667 0.95239242105164 150.360 > 7 74 Sm 0.83333333333333 0.16666666666667 0.95239242105164 150.360 > 7 75 Sm 0.33333333333333 0.66666666666667 0.95239242105164 150.360 > 7 76 Sm 0.83333333333333 0.66666666666667 0.95239242105164 150.360 > 7 77 Sm 0.33333333333333 0.16666666666667 0.71427424561503 150.360 > 8 78 Sm 0.83333333333333 0.16666666666667 0.71427424561503 150.360 > 8 79 Sm 0.33333333333333 0.66666666666667 0.71427424561503 150.360 > 8 80 Sm 0.83333333333333 0.66666666666667 0.71427424561503 150.360 > 8 81 Sm 0.16666666666667 0.33333333333333 0.28572575438497 150.360 > 7 82 Sm 0.66666666666667 0.33333333333333 0.28572575438497 150.360 > 7 83 Sm 0.16666666666667 0.83333333333333 0.28572575438497 150.360 > 7 84 Sm 0.66666666666667 0.83333333333333 0.28572575438497 150.360 > 7 85 Sm 0.16666666666667 0.33333333333333 0.04760757894836 150.360 > 8 86 Sm 0.66666666666667 0.33333333333333 0.04760757894836 150.360 > 8 87 Sm 0.16666666666667 0.83333333333333 0.04760757894836 150.360 > 8 88 Sm 0.66666666666667 0.83333333333333 0.04760757894836 150.360 > 8 89 Sm 0.00000000000000 0.00000000000000 0.61905908771830 150.360 > 7 90 Sm 0.50000000000000 0.00000000000000 0.61905908771830 150.360 > 7 91 Sm 0.00000000000000 0.50000000000000 0.61905908771830 150.360 > 7 92 Sm 0.50000000000000 0.50000000000000 0.61905908771830 150.360 > 7 93 Sm 0.00000000000000 0.00000000000000 0.38094091228170 150.360 > 8 94 Sm 0.50000000000000 0.00000000000000 0.38094091228170 150.360 > 8 95 Sm 0.00000000000000 0.50000000000000 0.38094091228170 150.360 > 8 96 Sm 0.50000000000000 0.50000000000000 0.38094091228170 150.360 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.2874901 0.0000000 0.0000000 0.0000000 10.2874901 0.0000000 0.0000000 0.0000000 8.0559084 -------------------------- Born effective charges -------------------------- 1 Zn 1.9115217 0.0000000 0.0000000 0.0000000 1.9115217 0.0000000 0.0000000 0.0000000 1.2237623 2 Zn 1.9115217 0.0000000 0.0000000 0.0000000 1.9115217 0.0000000 0.0000000 0.0000000 1.2237623 3 P -3.0994161 0.0000000 0.0000000 0.0000000 -3.0994161 0.0000000 0.0000000 0.0000000 -2.5008718 4 P -3.0994161 0.0000000 0.0000000 0.0000000 -3.0994161 0.0000000 0.0000000 0.0000000 -2.5008718 5 O -2.8057336 -0.0000000 0.0000000 0.0000000 -2.8057336 0.0000000 0.0000000 0.0000000 -4.0475641 6 O -2.8057336 -0.0000000 0.0000000 0.0000000 -2.8057336 0.0000000 0.0000000 0.0000000 -4.0475641 7 Sm 3.9936281 0.0000000 0.0000000 0.0000000 3.9936281 0.0000000 0.0000000 0.0000000 5.3246736 8 Sm 3.9936281 0.0000000 0.0000000 0.0000000 3.9936281 0.0000000 0.0000000 0.0000000 5.3246736 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 4128/4128 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 376 Number of blocks in projector: 512 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 112 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 96 Use standard eigh solver. Tree of FC basis block matrices: - (376, 368), data: False |-- (96, 96), data: True |-- (112, 108), data: True |-- (168, 164), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 80 / 80 - Time: 0.140 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.145 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 4128/4128 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 376 Number of blocks in projector: 512 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 112 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 96 Use standard eigh solver. Tree of FC basis block matrices: - (376, 368), data: False |-- (96, 96), data: True |-- (112, 108), data: True |-- (168, 164), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:49:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:49:36]------------------------- 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): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.955695834294712 1.129121516383079 10.142703203333323 b -1.955695834294709 1.129121516383079 10.142703203333323 c 0.000000000000002 -2.258243032766162 10.142703203333323 Atomic positions (fractional): 1 Zn 0.80401005174136 0.80401005174137 0.80401005174136 65.380 2 Zn 0.19598994825863 0.19598994825864 0.19598994825864 65.380 3 P 0.88674009571047 0.88674009571048 0.88674009571047 30.974 4 P 0.11325990428952 0.11325990428953 0.11325990428952 30.974 5 O 0.30508625057863 0.30508625057863 0.30508625057863 15.999 6 O 0.69491374942137 0.69491374942138 0.69491374942137 15.999 7 Sm 0.61905908771830 0.61905908771831 0.61905908771830 150.360 8 Sm 0.38094091228170 0.38094091228170 0.38094091228170 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.822783337178842 0.000000000000000 0.000000000000000 b -3.911391668589422 6.774729098298484 0.000000000000000 c 0.000000000000000 0.000000000000000 30.428109610000000 Atomic positions (fractional): 1 Zn 0.00000000000000 0.00000000000000 0.80401005174136 65.380 > 1 2 Zn 0.50000000000000 0.00000000000000 0.80401005174136 65.380 > 1 3 Zn 0.00000000000000 0.50000000000000 0.80401005174136 65.380 > 1 4 Zn 0.50000000000000 0.50000000000000 0.80401005174136 65.380 > 1 5 Zn 0.16666666666667 0.33333333333333 0.86265661492530 65.380 > 5 6 Zn 0.66666666666667 0.33333333333333 0.86265661492530 65.380 > 5 7 Zn 0.16666666666667 0.83333333333333 0.86265661492530 65.380 > 5 8 Zn 0.66666666666667 0.83333333333333 0.86265661492530 65.380 > 5 9 Zn 0.33333333333333 0.16666666666667 0.13734338507470 65.380 > 1 10 Zn 0.83333333333333 0.16666666666667 0.13734338507470 65.380 > 1 11 Zn 0.33333333333333 0.66666666666667 0.13734338507470 65.380 > 1 12 Zn 0.83333333333333 0.66666666666667 0.13734338507470 65.380 > 1 13 Zn 0.00000000000000 0.00000000000000 0.19598994825864 65.380 > 5 14 Zn 0.50000000000000 0.00000000000000 0.19598994825864 65.380 > 5 15 Zn 0.00000000000000 0.50000000000000 0.19598994825864 65.380 > 5 16 Zn 0.50000000000000 0.50000000000000 0.19598994825864 65.380 > 5 17 Zn 0.16666666666667 0.33333333333333 0.47067671840803 65.380 > 1 18 Zn 0.66666666666667 0.33333333333333 0.47067671840803 65.380 > 1 19 Zn 0.16666666666667 0.83333333333333 0.47067671840803 65.380 > 1 20 Zn 0.66666666666667 0.83333333333333 0.47067671840803 65.380 > 1 21 Zn 0.33333333333333 0.16666666666667 0.52932328159197 65.380 > 5 22 Zn 0.83333333333333 0.16666666666667 0.52932328159197 65.380 > 5 23 Zn 0.33333333333333 0.66666666666667 0.52932328159197 65.380 > 5 24 Zn 0.83333333333333 0.66666666666667 0.52932328159197 65.380 > 5 25 P 0.00000000000000 0.00000000000000 0.88674009571047 30.974 > 25 26 P 0.50000000000000 0.00000000000000 0.88674009571047 30.974 > 25 27 P 0.00000000000000 0.50000000000000 0.88674009571047 30.974 > 25 28 P 0.50000000000000 0.50000000000000 0.88674009571047 30.974 > 25 29 P 0.16666666666667 0.33333333333333 0.77992657095619 30.974 > 29 30 P 0.66666666666667 0.33333333333333 0.77992657095619 30.974 > 29 31 P 0.16666666666667 0.83333333333333 0.77992657095619 30.974 > 29 32 P 0.66666666666667 0.83333333333333 0.77992657095619 30.974 > 29 33 P 0.33333333333333 0.16666666666667 0.22007342904381 30.974 > 25 34 P 0.83333333333333 0.16666666666667 0.22007342904381 30.974 > 25 35 P 0.33333333333333 0.66666666666667 0.22007342904381 30.974 > 25 36 P 0.83333333333333 0.66666666666667 0.22007342904381 30.974 > 25 37 P 0.00000000000000 0.00000000000000 0.11325990428952 30.974 > 29 38 P 0.50000000000000 0.00000000000000 0.11325990428952 30.974 > 29 39 P 0.00000000000000 0.50000000000000 0.11325990428952 30.974 > 29 40 P 0.50000000000000 0.50000000000000 0.11325990428952 30.974 > 29 41 P 0.16666666666667 0.33333333333333 0.55340676237714 30.974 > 25 42 P 0.66666666666667 0.33333333333333 0.55340676237714 30.974 > 25 43 P 0.16666666666667 0.83333333333333 0.55340676237714 30.974 > 25 44 P 0.66666666666667 0.83333333333333 0.55340676237714 30.974 > 25 45 P 0.33333333333333 0.16666666666667 0.44659323762286 30.974 > 29 46 P 0.83333333333333 0.16666666666667 0.44659323762286 30.974 > 29 47 P 0.33333333333333 0.66666666666667 0.44659323762286 30.974 > 29 48 P 0.83333333333333 0.66666666666667 0.44659323762286 30.974 > 29 49 O 0.16666666666667 0.33333333333333 0.97175291724529 15.999 > 49 50 O 0.66666666666667 0.33333333333333 0.97175291724529 15.999 > 49 51 O 0.16666666666667 0.83333333333333 0.97175291724529 15.999 > 49 52 O 0.66666666666667 0.83333333333333 0.97175291724529 15.999 > 49 53 O 0.00000000000000 0.00000000000000 0.69491374942137 15.999 > 53 54 O 0.50000000000000 0.00000000000000 0.69491374942137 15.999 > 53 55 O 0.00000000000000 0.50000000000000 0.69491374942137 15.999 > 53 56 O 0.50000000000000 0.50000000000000 0.69491374942137 15.999 > 53 57 O 0.00000000000000 0.00000000000000 0.30508625057863 15.999 > 49 58 O 0.50000000000000 0.00000000000000 0.30508625057863 15.999 > 49 59 O 0.00000000000000 0.50000000000000 0.30508625057863 15.999 > 49 60 O 0.50000000000000 0.50000000000000 0.30508625057863 15.999 > 49 61 O 0.33333333333333 0.16666666666667 0.02824708275471 15.999 > 53 62 O 0.83333333333333 0.16666666666667 0.02824708275471 15.999 > 53 63 O 0.33333333333333 0.66666666666667 0.02824708275471 15.999 > 53 64 O 0.83333333333333 0.66666666666667 0.02824708275471 15.999 > 53 65 O 0.33333333333333 0.16666666666667 0.63841958391196 15.999 > 49 66 O 0.83333333333333 0.16666666666667 0.63841958391196 15.999 > 49 67 O 0.33333333333333 0.66666666666667 0.63841958391196 15.999 > 49 68 O 0.83333333333333 0.66666666666667 0.63841958391196 15.999 > 49 69 O 0.16666666666667 0.33333333333333 0.36158041608804 15.999 > 53 70 O 0.66666666666667 0.33333333333333 0.36158041608804 15.999 > 53 71 O 0.16666666666667 0.83333333333333 0.36158041608804 15.999 > 53 72 O 0.66666666666667 0.83333333333333 0.36158041608804 15.999 > 53 73 Sm 0.33333333333333 0.16666666666667 0.95239242105164 150.360 > 73 74 Sm 0.83333333333333 0.16666666666667 0.95239242105164 150.360 > 73 75 Sm 0.33333333333333 0.66666666666667 0.95239242105164 150.360 > 73 76 Sm 0.83333333333333 0.66666666666667 0.95239242105164 150.360 > 73 77 Sm 0.33333333333333 0.16666666666667 0.71427424561503 150.360 > 77 78 Sm 0.83333333333333 0.16666666666667 0.71427424561503 150.360 > 77 79 Sm 0.33333333333333 0.66666666666667 0.71427424561503 150.360 > 77 80 Sm 0.83333333333333 0.66666666666667 0.71427424561503 150.360 > 77 81 Sm 0.16666666666667 0.33333333333333 0.28572575438497 150.360 > 73 82 Sm 0.66666666666667 0.33333333333333 0.28572575438497 150.360 > 73 83 Sm 0.16666666666667 0.83333333333333 0.28572575438497 150.360 > 73 84 Sm 0.66666666666667 0.83333333333333 0.28572575438497 150.360 > 73 85 Sm 0.16666666666667 0.33333333333333 0.04760757894836 150.360 > 77 86 Sm 0.66666666666667 0.33333333333333 0.04760757894836 150.360 > 77 87 Sm 0.16666666666667 0.83333333333333 0.04760757894836 150.360 > 77 88 Sm 0.66666666666667 0.83333333333333 0.04760757894836 150.360 > 77 89 Sm 0.00000000000000 0.00000000000000 0.61905908771830 150.360 > 73 90 Sm 0.50000000000000 0.00000000000000 0.61905908771830 150.360 > 73 91 Sm 0.00000000000000 0.50000000000000 0.61905908771830 150.360 > 73 92 Sm 0.50000000000000 0.50000000000000 0.61905908771830 150.360 > 73 93 Sm 0.00000000000000 0.00000000000000 0.38094091228170 150.360 > 77 94 Sm 0.50000000000000 0.00000000000000 0.38094091228170 150.360 > 77 95 Sm 0.00000000000000 0.50000000000000 0.38094091228170 150.360 > 77 96 Sm 0.50000000000000 0.50000000000000 0.38094091228170 150.360 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.2874901 0.0000000 0.0000000 0.0000000 10.2874901 0.0000000 0.0000000 0.0000000 8.0559084 -------------------------- Born effective charges -------------------------- 1 Zn 1.9115217 0.0000000 0.0000000 0.0000000 1.9115217 0.0000000 0.0000000 0.0000000 1.2237623 2 Zn 1.9115217 0.0000000 0.0000000 0.0000000 1.9115217 0.0000000 0.0000000 0.0000000 1.2237623 3 P -3.0994161 0.0000000 0.0000000 0.0000000 -3.0994161 0.0000000 0.0000000 0.0000000 -2.5008718 4 P -3.0994161 0.0000000 0.0000000 0.0000000 -3.0994161 0.0000000 0.0000000 0.0000000 -2.5008718 5 O -2.8057336 -0.0000000 0.0000000 0.0000000 -2.8057336 0.0000000 0.0000000 0.0000000 -4.0475641 6 O -2.8057336 -0.0000000 0.0000000 0.0000000 -2.8057336 0.0000000 0.0000000 0.0000000 -4.0475641 7 Sm 3.9936281 0.0000000 0.0000000 0.0000000 3.9936281 0.0000000 0.0000000 0.0000000 5.3246736 8 Sm 3.9936281 0.0000000 0.0000000 0.0000000 3.9936281 0.0000000 0.0000000 0.0000000 5.3246736 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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 0.0000 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: 0.00000057 (yzy) 0.00000057 (yzy) 0.00000057 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:49:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:49:42]------------------------- 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): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.955695834294712 1.129121516383079 10.142703203333323 b -1.955695834294709 1.129121516383079 10.142703203333323 c 0.000000000000002 -2.258243032766162 10.142703203333323 Atomic positions (fractional): 1 Zn 0.80401005174136 0.80401005174137 0.80401005174136 65.380 2 Zn 0.19598994825863 0.19598994825864 0.19598994825864 65.380 3 P 0.88674009571047 0.88674009571048 0.88674009571047 30.974 4 P 0.11325990428952 0.11325990428953 0.11325990428952 30.974 5 O 0.30508625057863 0.30508625057863 0.30508625057863 15.999 6 O 0.69491374942137 0.69491374942138 0.69491374942137 15.999 7 Sm 0.61905908771830 0.61905908771831 0.61905908771830 150.360 8 Sm 0.38094091228170 0.38094091228170 0.38094091228170 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.822783337178842 0.000000000000000 0.000000000000000 b -3.911391668589422 6.774729098298484 0.000000000000000 c 0.000000000000000 0.000000000000000 30.428109610000000 Atomic positions (fractional): 1 Zn 0.00000000000000 0.00000000000000 0.80401005174136 65.380 > 1 2 Zn 0.50000000000000 0.00000000000000 0.80401005174136 65.380 > 1 3 Zn 0.00000000000000 0.50000000000000 0.80401005174136 65.380 > 1 4 Zn 0.50000000000000 0.50000000000000 0.80401005174136 65.380 > 1 5 Zn 0.16666666666667 0.33333333333333 0.86265661492530 65.380 > 5 6 Zn 0.66666666666667 0.33333333333333 0.86265661492530 65.380 > 5 7 Zn 0.16666666666667 0.83333333333333 0.86265661492530 65.380 > 5 8 Zn 0.66666666666667 0.83333333333333 0.86265661492530 65.380 > 5 9 Zn 0.33333333333333 0.16666666666667 0.13734338507470 65.380 > 1 10 Zn 0.83333333333333 0.16666666666667 0.13734338507470 65.380 > 1 11 Zn 0.33333333333333 0.66666666666667 0.13734338507470 65.380 > 1 12 Zn 0.83333333333333 0.66666666666667 0.13734338507470 65.380 > 1 13 Zn 0.00000000000000 0.00000000000000 0.19598994825864 65.380 > 5 14 Zn 0.50000000000000 0.00000000000000 0.19598994825864 65.380 > 5 15 Zn 0.00000000000000 0.50000000000000 0.19598994825864 65.380 > 5 16 Zn 0.50000000000000 0.50000000000000 0.19598994825864 65.380 > 5 17 Zn 0.16666666666667 0.33333333333333 0.47067671840803 65.380 > 1 18 Zn 0.66666666666667 0.33333333333333 0.47067671840803 65.380 > 1 19 Zn 0.16666666666667 0.83333333333333 0.47067671840803 65.380 > 1 20 Zn 0.66666666666667 0.83333333333333 0.47067671840803 65.380 > 1 21 Zn 0.33333333333333 0.16666666666667 0.52932328159197 65.380 > 5 22 Zn 0.83333333333333 0.16666666666667 0.52932328159197 65.380 > 5 23 Zn 0.33333333333333 0.66666666666667 0.52932328159197 65.380 > 5 24 Zn 0.83333333333333 0.66666666666667 0.52932328159197 65.380 > 5 25 P 0.00000000000000 0.00000000000000 0.88674009571047 30.974 > 25 26 P 0.50000000000000 0.00000000000000 0.88674009571047 30.974 > 25 27 P 0.00000000000000 0.50000000000000 0.88674009571047 30.974 > 25 28 P 0.50000000000000 0.50000000000000 0.88674009571047 30.974 > 25 29 P 0.16666666666667 0.33333333333333 0.77992657095619 30.974 > 29 30 P 0.66666666666667 0.33333333333333 0.77992657095619 30.974 > 29 31 P 0.16666666666667 0.83333333333333 0.77992657095619 30.974 > 29 32 P 0.66666666666667 0.83333333333333 0.77992657095619 30.974 > 29 33 P 0.33333333333333 0.16666666666667 0.22007342904381 30.974 > 25 34 P 0.83333333333333 0.16666666666667 0.22007342904381 30.974 > 25 35 P 0.33333333333333 0.66666666666667 0.22007342904381 30.974 > 25 36 P 0.83333333333333 0.66666666666667 0.22007342904381 30.974 > 25 37 P 0.00000000000000 0.00000000000000 0.11325990428952 30.974 > 29 38 P 0.50000000000000 0.00000000000000 0.11325990428952 30.974 > 29 39 P 0.00000000000000 0.50000000000000 0.11325990428952 30.974 > 29 40 P 0.50000000000000 0.50000000000000 0.11325990428952 30.974 > 29 41 P 0.16666666666667 0.33333333333333 0.55340676237714 30.974 > 25 42 P 0.66666666666667 0.33333333333333 0.55340676237714 30.974 > 25 43 P 0.16666666666667 0.83333333333333 0.55340676237714 30.974 > 25 44 P 0.66666666666667 0.83333333333333 0.55340676237714 30.974 > 25 45 P 0.33333333333333 0.16666666666667 0.44659323762286 30.974 > 29 46 P 0.83333333333333 0.16666666666667 0.44659323762286 30.974 > 29 47 P 0.33333333333333 0.66666666666667 0.44659323762286 30.974 > 29 48 P 0.83333333333333 0.66666666666667 0.44659323762286 30.974 > 29 49 O 0.16666666666667 0.33333333333333 0.97175291724529 15.999 > 49 50 O 0.66666666666667 0.33333333333333 0.97175291724529 15.999 > 49 51 O 0.16666666666667 0.83333333333333 0.97175291724529 15.999 > 49 52 O 0.66666666666667 0.83333333333333 0.97175291724529 15.999 > 49 53 O 0.00000000000000 0.00000000000000 0.69491374942137 15.999 > 53 54 O 0.50000000000000 0.00000000000000 0.69491374942137 15.999 > 53 55 O 0.00000000000000 0.50000000000000 0.69491374942137 15.999 > 53 56 O 0.50000000000000 0.50000000000000 0.69491374942137 15.999 > 53 57 O 0.00000000000000 0.00000000000000 0.30508625057863 15.999 > 49 58 O 0.50000000000000 0.00000000000000 0.30508625057863 15.999 > 49 59 O 0.00000000000000 0.50000000000000 0.30508625057863 15.999 > 49 60 O 0.50000000000000 0.50000000000000 0.30508625057863 15.999 > 49 61 O 0.33333333333333 0.16666666666667 0.02824708275471 15.999 > 53 62 O 0.83333333333333 0.16666666666667 0.02824708275471 15.999 > 53 63 O 0.33333333333333 0.66666666666667 0.02824708275471 15.999 > 53 64 O 0.83333333333333 0.66666666666667 0.02824708275471 15.999 > 53 65 O 0.33333333333333 0.16666666666667 0.63841958391196 15.999 > 49 66 O 0.83333333333333 0.16666666666667 0.63841958391196 15.999 > 49 67 O 0.33333333333333 0.66666666666667 0.63841958391196 15.999 > 49 68 O 0.83333333333333 0.66666666666667 0.63841958391196 15.999 > 49 69 O 0.16666666666667 0.33333333333333 0.36158041608804 15.999 > 53 70 O 0.66666666666667 0.33333333333333 0.36158041608804 15.999 > 53 71 O 0.16666666666667 0.83333333333333 0.36158041608804 15.999 > 53 72 O 0.66666666666667 0.83333333333333 0.36158041608804 15.999 > 53 73 Sm 0.33333333333333 0.16666666666667 0.95239242105164 150.360 > 73 74 Sm 0.83333333333333 0.16666666666667 0.95239242105164 150.360 > 73 75 Sm 0.33333333333333 0.66666666666667 0.95239242105164 150.360 > 73 76 Sm 0.83333333333333 0.66666666666667 0.95239242105164 150.360 > 73 77 Sm 0.33333333333333 0.16666666666667 0.71427424561503 150.360 > 77 78 Sm 0.83333333333333 0.16666666666667 0.71427424561503 150.360 > 77 79 Sm 0.33333333333333 0.66666666666667 0.71427424561503 150.360 > 77 80 Sm 0.83333333333333 0.66666666666667 0.71427424561503 150.360 > 77 81 Sm 0.16666666666667 0.33333333333333 0.28572575438497 150.360 > 73 82 Sm 0.66666666666667 0.33333333333333 0.28572575438497 150.360 > 73 83 Sm 0.16666666666667 0.83333333333333 0.28572575438497 150.360 > 73 84 Sm 0.66666666666667 0.83333333333333 0.28572575438497 150.360 > 73 85 Sm 0.16666666666667 0.33333333333333 0.04760757894836 150.360 > 77 86 Sm 0.66666666666667 0.33333333333333 0.04760757894836 150.360 > 77 87 Sm 0.16666666666667 0.83333333333333 0.04760757894836 150.360 > 77 88 Sm 0.66666666666667 0.83333333333333 0.04760757894836 150.360 > 77 89 Sm 0.00000000000000 0.00000000000000 0.61905908771830 150.360 > 73 90 Sm 0.50000000000000 0.00000000000000 0.61905908771830 150.360 > 73 91 Sm 0.00000000000000 0.50000000000000 0.61905908771830 150.360 > 73 92 Sm 0.50000000000000 0.50000000000000 0.61905908771830 150.360 > 73 93 Sm 0.00000000000000 0.00000000000000 0.38094091228170 150.360 > 77 94 Sm 0.50000000000000 0.00000000000000 0.38094091228170 150.360 > 77 95 Sm 0.00000000000000 0.50000000000000 0.38094091228170 150.360 > 77 96 Sm 0.50000000000000 0.50000000000000 0.38094091228170 150.360 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.2874901 0.0000000 0.0000000 0.0000000 10.2874901 0.0000000 0.0000000 0.0000000 8.0559084 -------------------------- Born effective charges -------------------------- 1 Zn 1.9115217 0.0000000 0.0000000 0.0000000 1.9115217 0.0000000 0.0000000 0.0000000 1.2237623 2 Zn 1.9115217 0.0000000 0.0000000 0.0000000 1.9115217 0.0000000 0.0000000 0.0000000 1.2237623 3 P -3.0994161 0.0000000 0.0000000 0.0000000 -3.0994161 0.0000000 0.0000000 0.0000000 -2.5008718 4 P -3.0994161 0.0000000 0.0000000 0.0000000 -3.0994161 0.0000000 0.0000000 0.0000000 -2.5008718 5 O -2.8057336 -0.0000000 0.0000000 0.0000000 -2.8057336 0.0000000 0.0000000 0.0000000 -4.0475641 6 O -2.8057336 -0.0000000 0.0000000 0.0000000 -2.8057336 0.0000000 0.0000000 0.0000000 -4.0475641 7 Sm 3.9936281 0.0000000 0.0000000 0.0000000 3.9936281 0.0000000 0.0000000 0.0000000 5.3246736 8 Sm 3.9936281 0.0000000 0.0000000 0.0000000 3.9936281 0.0000000 0.0000000 0.0000000 5.3246736 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000057 (yzy) 0.00000057 (yzy) 0.00000057 (yyz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 15 15 15 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.81, Number of G-points: 299, Lambda: 0.26 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/344) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 344 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 2.262 ( 0.000 0.000 0.000) 0.000 2.262 ( 0.000 0.000 0.000) 0.000 2.686 ( 0.000 0.000 0.000) 0.000 2.686 ( 0.000 0.000 0.000) 0.000 3.363 ( 0.000 0.000 0.000) 0.000 3.363 ( 0.000 0.000 0.000) 0.000 4.122 ( 0.000 0.000 0.000) 0.000 4.147 ( 0.000 0.000 0.000) 0.000 5.467 ( 0.000 0.000 0.000) 0.000 7.178 ( 0.000 0.000 0.000) 0.000 8.607 ( 0.000 0.000 0.000) 0.000 8.607 ( 0.000 0.000 0.000) 0.000 8.910 ( 0.000 0.000 0.000) 0.000 8.910 ( 0.000 0.000 0.000) 0.000 9.498 ( 0.000 0.000 0.000) 0.000 10.222 ( 0.000 0.000 0.000) 0.000 10.222 ( 0.000 0.000 0.000) 0.000 11.996 ( 0.000 0.000 0.000) 0.000 11.996 ( 0.000 0.000 0.000) 0.000 13.119 ( 0.000 0.000 0.000) 0.000 13.290 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/344) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 25.194 14.546 3.347) 29.283 0.608 ( 25.718 14.848 7.701) 30.678 1.085 ( 46.532 26.865 3.708) 53.859 2.341 ( 6.727 3.884 -0.297) 7.773 2.409 ( 12.034 6.948 -4.332) 14.555 2.674 ( -1.014 -0.586 -0.289) 1.206 2.870 ( 6.739 3.891 3.364) 8.478 3.368 ( 0.414 0.239 -0.009) 0.478 3.457 ( 7.931 4.579 -0.096) 9.159 4.096 ( -2.458 -1.419 -7.654) 8.163 4.173 ( 2.923 1.688 6.209) 7.067 5.437 ( -2.642 -1.526 -0.156) 3.055 7.221 ( 1.815 1.048 9.272) 9.505 8.631 ( 1.944 1.123 0.559) 2.314 8.924 ( 1.394 0.805 -1.150) 1.978 8.928 ( 1.681 0.971 -0.375) 1.977 9.128 ( -13.433 -7.756 0.629) 15.524 9.663 ( 7.558 4.364 -0.376) 8.735 10.172 ( -4.280 -2.471 -0.212) 4.947 11.674 ( -18.577 -10.726 -26.560) 34.141 12.009 ( 1.055 0.609 0.179) 1.232 12.170 ( -11.271 -6.507 2.541) 13.260 13.336 ( 16.983 9.805 -8.189) 21.252 13.446 ( 2.227 1.286 41.784) 41.863 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 22.756 13.138 2.838) 26.430 1.192 ( 24.130 13.932 5.872) 28.475 2.103 ( 41.557 23.993 0.286) 47.987 2.541 ( 9.568 5.524 3.099) 11.474 2.645 ( -0.562 -0.325 -4.116) 4.167 2.710 ( 14.298 8.255 -5.774) 17.491 3.088 ( 10.682 6.167 7.130) 14.247 3.384 ( 1.079 0.623 0.204) 1.263 3.699 ( 12.643 7.299 0.133) 14.599 4.001 ( -4.444 -2.566 -1.598) 5.374 4.324 ( 10.297 5.945 -1.601) 11.997 5.348 ( -4.959 -2.863 -0.594) 5.757 7.308 ( 4.492 2.593 3.058) 6.021 8.695 ( 3.514 2.029 0.971) 4.173 8.832 ( -11.902 -6.872 -0.140) 13.744 8.971 ( 3.032 1.751 -0.837) 3.600 8.982 ( 3.092 1.785 -0.651) 3.630 9.799 ( 4.591 2.651 -0.372) 5.315 10.034 ( -7.593 -4.384 -0.055) 8.768 11.182 ( -19.744 -11.399 -10.991) 25.309 11.844 ( -16.466 -9.506 8.028) 20.638 12.042 ( 1.727 0.997 0.050) 1.995 13.563 ( 3.911 2.258 12.234) 13.041 13.755 ( 17.860 10.312 -3.840) 20.978 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 18.966 10.950 1.746) 21.969 1.722 ( 21.372 12.339 3.695) 24.953 2.592 ( -2.206 -1.274 5.280) 5.862 2.791 ( 14.777 8.531 -13.767) 21.924 2.808 ( 11.782 6.802 -6.328) 15.004 3.124 ( 23.951 13.828 9.023) 29.091 3.372 ( 14.844 8.570 3.811) 17.559 3.421 ( 2.073 1.197 0.744) 2.507 3.889 ( -1.940 -1.120 1.562) 2.731 4.030 ( 13.393 7.733 -0.575) 15.476 4.625 ( 15.565 8.986 -2.542) 18.152 5.222 ( -5.350 -3.089 -1.347) 6.322 7.428 ( 5.385 3.109 1.807) 6.475 8.606 ( -7.804 -4.506 -0.221) 9.014 8.789 ( 4.395 2.538 1.086) 5.190 9.062 ( 3.961 2.287 -0.701) 4.628 9.068 ( 5.965 3.444 -1.724) 7.100 9.838 ( -9.360 -5.404 0.490) 10.819 9.878 ( 2.677 1.546 -0.083) 3.092 10.766 ( -14.985 -8.651 -3.285) 17.612 11.502 ( -14.279 -8.244 2.604) 16.693 12.084 ( 1.954 1.128 -0.394) 2.291 13.659 ( 3.233 1.867 3.189) 4.910 14.112 ( 13.555 7.826 0.502) 15.661 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 14.304 8.259 -0.078) 16.517 2.176 ( 18.005 10.395 1.416) 20.839 2.556 ( -1.785 -1.030 4.693) 5.125 2.933 ( 3.522 2.034 -10.340) 11.111 3.049 ( 10.191 5.884 -4.935) 12.761 3.482 ( 3.115 1.798 1.364) 3.847 3.486 ( 8.201 4.735 9.626) 13.503 3.686 ( 1.860 1.074 -0.465) 2.198 4.064 ( 22.066 12.740 -1.608) 25.530 4.346 ( 13.936 8.046 2.228) 16.246 4.908 ( 5.269 3.042 -0.413) 6.098 5.182 ( 6.034 3.484 -2.659) 7.458 7.554 ( 5.267 3.041 2.369) 6.526 8.476 ( -3.652 -2.109 -1.548) 4.493 8.893 ( 4.408 2.545 0.815) 5.155 9.153 ( 3.954 2.283 -0.364) 4.580 9.241 ( 9.510 5.491 -2.004) 11.163 9.625 ( -9.251 -5.341 1.052) 10.734 9.927 ( 1.659 0.958 0.932) 2.130 10.493 ( -8.820 -5.092 -0.817) 10.217 11.212 ( -11.516 -6.649 -0.202) 13.299 12.126 ( 1.866 1.077 -0.891) 2.332 13.730 ( 2.772 1.600 0.236) 3.209 14.371 ( 9.114 5.262 1.839) 10.684 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 9.379 5.415 -2.497) 11.114 2.535 ( -0.881 -0.509 5.461) 5.555 2.542 ( 14.043 8.107 -1.014) 16.247 2.964 ( 1.240 0.716 -4.751) 4.962 3.241 ( 7.493 4.326 -3.654) 9.392 3.563 ( 3.496 2.018 1.462) 4.293 3.608 ( 0.387 0.223 4.147) 4.171 3.670 ( -0.088 -0.051 2.082) 2.085 4.453 ( 10.570 6.103 -6.431) 13.796 4.718 ( 14.461 8.349 5.533) 17.591 4.938 ( 4.294 2.479 -0.802) 5.022 5.420 ( 11.068 6.390 -1.111) 12.829 7.680 ( 5.317 3.070 2.879) 6.781 8.422 ( -0.981 -0.566 -2.637) 2.870 8.987 ( 3.612 2.085 0.275) 4.180 9.225 ( 1.726 0.997 0.683) 2.107 9.444 ( -6.084 -3.513 0.809) 7.072 9.476 ( 11.097 6.407 -2.450) 13.046 9.960 ( 0.786 0.454 2.936) 3.073 10.352 ( -3.553 -2.051 -1.026) 4.229 10.974 ( -9.383 -5.417 -1.027) 10.883 12.163 ( 1.558 0.899 -1.133) 2.126 13.789 ( 2.400 1.386 -0.580) 2.832 14.540 ( 5.546 3.202 1.824) 6.659 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 4.232 2.443 -4.018) 6.326 2.544 ( 0.667 0.385 5.582) 5.635 2.791 ( 7.617 4.398 -3.872) 9.610 2.996 ( 2.623 1.514 1.121) 3.230 3.372 ( 4.558 2.631 -1.985) 5.625 3.581 ( -1.388 -0.801 -0.700) 1.749 3.638 ( 2.685 1.550 0.933) 3.238 3.666 ( -1.856 -1.071 3.586) 4.177 4.611 ( 5.576 3.220 -3.842) 7.498 4.818 ( -0.677 -0.391 2.340) 2.467 5.234 ( 14.738 8.509 -0.851) 17.039 5.614 ( 5.774 3.333 0.773) 6.711 7.802 ( 4.587 2.648 2.338) 5.789 8.408 ( 0.087 0.050 -2.423) 2.425 9.055 ( 2.319 1.339 -0.200) 2.685 9.199 ( -3.576 -2.065 1.861) 4.529 9.391 ( 0.724 0.418 -0.229) 0.867 9.705 ( 9.043 5.221 -3.497) 11.012 9.969 ( -0.900 -0.520 4.935) 5.043 10.328 ( 1.735 1.001 -1.484) 2.493 10.775 ( -8.076 -4.663 -0.928) 9.371 12.191 ( 1.051 0.607 -0.943) 1.537 13.835 ( 1.741 1.005 -0.559) 2.087 14.637 ( 2.877 1.661 1.244) 3.548 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 0.763 0.440 -1.339) 1.603 2.576 ( 0.842 0.486 1.815) 2.059 2.870 ( 1.119 0.646 -2.016) 2.395 3.081 ( 2.942 1.698 1.403) 3.675 3.439 ( 1.538 0.888 -0.582) 1.869 3.560 ( -0.227 -0.131 -1.127) 1.157 3.618 ( -1.993 -1.151 1.688) 2.854 3.682 ( 0.987 0.570 0.290) 1.176 4.713 ( 4.024 2.323 -1.733) 4.959 4.785 ( -2.500 -1.443 1.335) 3.181 5.479 ( 6.242 3.604 -1.175) 7.303 5.688 ( 0.877 0.507 1.178) 1.554 7.882 ( 1.878 1.084 0.892) 2.345 8.408 ( 0.136 0.079 -0.970) 0.983 9.090 ( 0.901 0.520 -0.346) 1.096 9.133 ( -1.827 -1.055 0.974) 2.324 9.414 ( 0.727 0.420 -0.078) 0.843 9.858 ( 5.288 3.053 -4.618) 7.656 9.937 ( -2.853 -1.647 5.184) 6.142 10.414 ( 5.192 2.997 -0.455) 6.012 10.603 ( -6.626 -3.826 -0.447) 7.664 12.206 ( 0.374 0.216 -0.365) 0.566 13.862 ( 0.649 0.374 -0.215) 0.779 14.681 ( 0.875 0.505 0.435) 1.100 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 0.000 28.691 5.267) 29.171 0.639 ( 0.000 28.448 15.939) 32.609 1.102 ( 0.000 53.151 8.779) 53.871 2.319 ( -0.000 6.570 -6.777) 9.439 2.416 ( -0.000 14.613 -2.345) 14.800 2.695 ( 0.000 0.033 5.526) 5.526 2.852 ( -0.000 7.243 -1.513) 7.399 3.365 ( -0.000 0.364 -0.882) 0.954 3.456 ( -0.000 9.050 -0.525) 9.065 4.074 ( -0.000 -1.427 -11.125) 11.216 4.187 ( 0.000 1.623 7.016) 7.201 5.437 ( -0.000 -3.051 -0.026) 3.051 7.241 ( 0.000 -1.669 14.874) 14.967 8.627 ( -0.000 2.060 -0.591) 2.143 8.916 ( -0.000 0.347 -3.488) 3.505 8.931 ( 0.000 2.073 0.450) 2.122 9.135 ( 0.000 -13.845 2.554) 14.079 9.653 ( -0.000 8.240 -3.197) 8.839 10.176 ( 0.000 -4.806 0.996) 4.908 11.769 ( -0.000 -19.157 -2.182) 19.281 11.970 ( -0.000 -3.794 -43.946) 44.110 12.005 ( -0.000 1.109 -0.820) 1.379 13.283 ( -0.000 14.162 -3.539) 14.598 13.649 ( 0.000 -5.532 72.098) 72.310 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 14.315 24.329 5.941) 28.846 1.076 ( 13.592 24.780 10.576) 30.177 1.846 ( 23.549 42.367 5.361) 48.768 2.459 ( 9.170 7.973 -9.937) 15.698 2.601 ( 3.841 12.330 -1.347) 12.985 2.709 ( -0.390 5.118 3.517) 6.222 3.006 ( 7.615 7.974 4.634) 11.960 3.383 ( 1.238 1.440 -0.886) 2.096 3.611 ( 6.545 10.759 -0.773) 12.618 4.018 ( -1.940 -3.415 -4.589) 6.041 4.262 ( 4.290 7.083 -1.583) 8.431 5.377 ( -2.648 -4.400 -0.209) 5.140 7.280 ( 2.391 2.005 3.806) 4.922 8.675 ( 2.480 3.200 -0.136) 4.051 8.862 ( -3.040 -9.444 -7.696) 12.556 8.965 ( 0.952 2.760 0.708) 3.004 9.003 ( -2.889 -0.092 7.322) 7.872 9.749 ( 3.640 4.120 -4.153) 6.889 10.095 ( -3.490 -5.381 1.185) 6.522 11.391 ( -19.104 -13.171 -9.304) 25.000 11.729 ( -0.634 -19.135 2.928) 19.368 12.121 ( 1.380 -0.919 -3.714) 4.068 13.554 ( 14.803 11.257 -0.890) 18.619 13.695 ( -5.658 8.421 24.683) 26.686 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 14.769 20.485 5.375) 25.819 1.576 ( 15.455 21.581 5.687) 27.147 2.553 ( 15.697 12.900 -9.961) 22.628 2.655 ( 4.355 8.430 2.442) 9.797 2.760 ( 5.632 14.391 -3.821) 15.919 2.933 ( 16.541 17.613 4.186) 24.522 3.246 ( 9.806 6.515 5.922) 13.178 3.434 ( 1.591 4.672 -0.054) 4.936 3.868 ( 10.675 9.545 -0.196) 14.321 3.932 ( -2.039 -3.603 -0.355) 4.155 4.484 ( 11.335 11.830 -4.884) 17.096 5.265 ( -4.540 -5.145 -0.677) 6.895 7.373 ( 4.710 3.047 0.169) 5.612 8.662 ( -6.133 -8.598 -1.430) 10.658 8.766 ( 3.335 4.676 0.381) 5.756 9.026 ( 2.925 3.754 0.591) 4.795 9.045 ( 1.826 4.546 1.343) 5.079 9.818 ( 2.652 -0.025 -4.956) 5.621 9.969 ( -6.497 -2.422 2.393) 7.336 10.934 ( -17.288 -11.823 -2.120) 21.051 11.498 ( -3.918 -20.465 2.569) 20.994 12.119 ( -1.039 3.395 -1.022) 3.695 13.733 ( -3.560 8.512 8.007) 12.217 13.924 ( 15.785 7.402 0.213) 17.435 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 11.257 17.825 3.245) 21.330 2.036 ( 14.086 18.318 2.553) 23.248 2.622 ( -1.880 3.022 1.178) 3.749 2.865 ( 4.722 5.379 -12.323) 14.251 2.971 ( 7.898 11.309 -2.428) 14.006 3.382 ( 7.772 4.065 8.270) 12.055 3.514 ( 5.780 10.538 2.097) 12.201 3.604 ( 12.500 10.877 0.052) 16.570 3.903 ( 6.445 4.815 1.368) 8.160 4.179 ( 14.130 7.270 0.422) 15.896 4.812 ( 12.295 10.622 -3.021) 16.526 5.145 ( -2.111 -3.796 -1.611) 4.632 7.491 ( 5.587 2.760 0.233) 6.236 8.505 ( -4.110 -4.941 -0.007) 6.427 8.874 ( 3.094 5.498 0.374) 6.320 9.133 ( 3.093 4.800 -0.571) 5.739 9.159 ( 6.275 6.504 0.478) 9.051 9.754 ( -7.770 -2.460 -1.395) 8.269 9.911 ( 0.307 1.034 0.051) 1.080 10.586 ( -10.842 -9.475 0.989) 14.433 11.233 ( -5.430 -16.765 -0.114) 17.623 12.152 ( -0.110 5.197 -0.848) 5.267 13.768 ( -2.419 6.813 1.697) 7.426 14.222 ( 12.877 2.781 1.776) 13.293 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 6.112 15.621 0.552) 16.783 2.423 ( 11.749 14.741 -0.112) 18.851 2.624 ( -3.541 5.980 3.830) 7.935 2.922 ( 2.236 1.111 -7.735) 8.128 3.203 ( 6.442 11.135 -3.964) 13.461 3.492 ( 3.356 -0.019 5.290) 6.265 3.670 ( -1.492 -1.807 -0.531) 2.403 3.683 ( 1.888 9.803 4.378) 10.901 4.288 ( 15.546 9.776 -5.802) 19.259 4.526 ( 17.980 9.060 5.460) 20.861 4.934 ( -1.366 0.508 -0.174) 1.468 5.258 ( 13.107 4.595 -2.333) 14.084 7.616 ( 5.813 2.442 1.525) 6.487 8.422 ( -1.512 -2.455 -0.607) 2.946 8.976 ( 2.336 5.470 0.045) 5.948 9.228 ( 2.210 5.036 0.195) 5.503 9.364 ( 8.803 7.378 -1.094) 11.538 9.579 ( -9.994 0.463 0.521) 10.018 9.940 ( 1.994 0.035 0.104) 1.997 10.378 ( -4.839 -6.641 1.201) 8.304 10.993 ( -4.730 -13.737 -1.288) 14.585 12.205 ( -0.711 7.165 -1.005) 7.270 13.794 ( -0.863 3.997 -0.149) 4.092 14.427 ( 9.480 -0.404 1.837) 9.665 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 0.792 12.962 -2.038) 13.145 2.640 ( -3.907 8.640 5.315) 10.870 2.716 ( 7.803 10.413 -3.042) 13.363 2.955 ( 2.672 0.551 -2.025) 3.398 3.383 ( 3.114 10.320 -3.855) 11.448 3.530 ( 1.119 -2.194 3.762) 4.497 3.634 ( -0.293 -1.188 0.665) 1.393 3.777 ( -2.738 9.116 2.625) 9.874 4.518 ( 7.928 3.364 -5.152) 10.036 4.807 ( 2.696 -0.428 3.662) 4.568 5.055 ( 14.397 8.157 -0.343) 16.551 5.500 ( 10.400 1.738 0.065) 10.544 7.742 ( 5.590 2.140 2.220) 6.384 8.394 ( 0.248 -1.135 -1.350) 1.781 9.057 ( 1.114 4.958 -0.280) 5.089 9.286 ( -2.619 4.508 1.165) 5.342 9.413 ( -3.999 0.054 -0.209) 4.005 9.618 ( 7.476 8.379 -2.009) 11.407 9.972 ( 1.253 -0.382 2.667) 2.971 10.287 ( 0.337 -4.191 -0.211) 4.210 10.795 ( -3.882 -11.176 -1.329) 11.905 12.259 ( -2.307 9.102 -0.957) 9.439 13.817 ( 0.645 1.132 -0.388) 1.359 14.552 ( 6.727 -2.688 1.262) 7.353 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( -3.237 10.351 -2.208) 11.068 2.676 ( -4.256 9.887 4.037) 11.496 2.858 ( 1.500 4.398 -3.521) 5.830 3.037 ( 4.463 2.523 1.144) 5.252 3.491 ( -0.451 8.133 -2.235) 8.446 3.521 ( 0.345 -1.862 0.571) 1.978 3.628 ( -0.115 -0.869 2.126) 2.299 3.795 ( -5.559 9.335 0.806) 10.895 4.646 ( 5.611 1.776 -2.630) 6.446 4.800 ( -0.992 -2.180 2.145) 3.215 5.358 ( 11.562 4.332 -1.465) 12.434 5.633 ( 5.149 -2.089 1.874) 5.864 7.845 ( 3.773 0.990 1.658) 4.238 8.393 ( 0.871 -0.690 -1.129) 1.584 9.108 ( -0.298 4.121 -0.436) 4.155 9.228 ( -6.680 3.929 1.196) 7.841 9.412 ( 0.674 1.578 -0.170) 1.724 9.793 ( 5.562 4.829 -3.717) 8.251 9.973 ( -1.436 -0.887 4.565) 4.867 10.310 ( 6.035 -2.615 -0.703) 6.615 10.633 ( -3.691 -8.196 -0.879) 9.031 12.298 ( -4.183 10.257 -0.571) 11.092 13.835 ( 1.489 -1.128 -0.038) 1.868 14.615 ( 4.673 -4.293 0.433) 6.360 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( -4.905 9.166 -1.063) 10.450 2.690 ( -5.988 9.154 1.594) 11.054 2.887 ( -0.641 2.281 -0.451) 2.411 3.098 ( -0.285 0.132 0.527) 0.613 3.511 ( -3.528 5.329 -0.574) 6.417 3.525 ( 1.849 -1.938 -0.997) 2.858 3.622 ( -1.509 1.877 0.830) 2.548 3.792 ( -5.408 9.171 0.423) 10.655 4.734 ( 3.261 -0.239 -0.853) 3.380 4.750 ( -1.926 -1.920 1.390) 3.055 5.491 ( 1.815 -2.020 -0.807) 2.833 5.655 ( 1.736 -4.257 1.147) 4.738 7.883 ( 0.257 -1.067 0.147) 1.108 8.400 ( 0.756 -0.822 0.081) 1.120 9.126 ( -1.695 3.145 -0.285) 3.584 9.186 ( -3.648 5.877 0.407) 6.929 9.428 ( -0.483 0.874 -0.005) 0.999 9.886 ( 2.816 0.542 -3.429) 4.470 9.931 ( -3.412 0.153 3.221) 4.695 10.379 ( 4.148 -7.057 -0.106) 8.186 10.537 ( 1.118 -1.491 0.079) 1.865 12.313 ( -5.748 10.152 0.009) 11.666 13.844 ( 1.316 -2.209 0.481) 2.616 14.632 ( 3.009 -5.408 -0.464) 6.206 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( -6.274 7.820 0.731) 10.052 2.656 ( -7.903 8.283 -1.582) 11.557 2.880 ( -3.425 1.126 3.178) 4.806 3.031 ( -5.080 -1.959 -0.608) 5.479 3.490 ( -5.387 5.642 -2.175) 8.098 3.528 ( 1.088 -3.365 2.074) 4.099 3.616 ( -0.098 0.205 -1.415) 1.433 3.791 ( -5.732 9.320 -0.361) 10.948 4.665 ( -3.940 -3.468 3.126) 6.109 4.787 ( 2.209 -0.554 -1.773) 2.886 5.366 ( -9.604 -7.955 0.921) 12.505 5.624 ( -0.719 -5.526 -0.723) 5.619 7.835 ( -3.159 -2.969 -1.540) 4.600 8.402 ( 0.563 -1.190 1.552) 2.036 9.109 ( -3.358 2.284 -0.044) 4.061 9.222 ( -0.533 8.038 -0.378) 8.064 9.413 ( -1.622 0.235 0.142) 1.645 9.818 ( -7.036 -2.943 3.639) 8.451 9.941 ( 1.330 1.164 -5.131) 5.427 10.315 ( -0.379 -6.569 0.796) 6.628 10.639 ( 9.031 -0.702 0.950) 9.108 12.301 ( -6.606 8.746 0.507) 10.972 13.839 ( 0.235 -1.763 0.965) 2.023 14.609 ( 1.234 -6.302 -1.298) 6.551 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -11.636 4.617 2.601) 12.785 2.605 ( -5.798 8.085 -5.126) 11.192 2.737 ( -13.915 -1.556 3.311) 14.388 2.969 ( -0.361 -0.912 1.949) 2.182 3.404 ( -10.202 3.648 2.281) 11.072 3.508 ( 0.878 -4.241 -2.594) 5.049 3.629 ( 1.949 -0.009 -0.933) 2.161 3.761 ( -7.483 7.069 -2.200) 10.527 4.552 ( -6.185 -4.826 5.047) 9.329 4.783 ( -1.970 -3.071 -3.362) 4.962 5.058 ( -14.176 -8.403 0.609) 16.490 5.499 ( -6.129 -7.942 0.015) 10.032 7.726 ( -4.779 -3.646 -2.655) 6.571 8.406 ( 1.007 -1.290 2.381) 2.889 9.057 ( -4.895 1.513 -0.250) 5.129 9.281 ( -2.640 5.031 -0.340) 5.692 9.415 ( 1.744 3.804 0.405) 4.204 9.633 ( -11.307 -3.056 2.468) 11.970 9.947 ( 0.359 -0.570 -4.782) 4.830 10.293 ( 3.319 -2.910 1.546) 4.677 10.804 ( 11.591 -2.061 1.231) 11.836 12.264 ( -6.588 6.435 0.689) 9.235 13.822 ( -1.421 0.106 1.240) 1.889 14.541 ( -1.130 -7.261 -1.915) 7.594 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -16.894 1.143 0.421) 16.938 2.427 ( -19.637 -2.534 1.224) 19.838 2.596 ( -3.370 6.742 -4.396) 8.726 2.970 ( -0.470 -0.597 6.546) 6.590 3.231 ( -12.724 -0.332 4.253) 13.420 3.455 ( -1.635 -3.716 -5.754) 7.042 3.657 ( -9.796 3.621 -3.270) 10.944 3.672 ( 2.084 0.758 0.171) 2.224 4.328 ( -17.762 -9.222 6.323) 20.989 4.489 ( -15.745 -10.747 -5.782) 19.921 4.936 ( 0.067 1.360 0.305) 1.396 5.271 ( -9.821 -8.841 1.421) 13.290 7.602 ( -4.845 -3.269 -2.799) 6.480 8.431 ( 2.750 -0.664 2.042) 3.489 8.974 ( -6.029 0.810 -0.587) 6.111 9.227 ( -5.386 0.651 0.057) 5.426 9.376 ( -11.032 -4.355 2.574) 12.136 9.577 ( 4.462 9.496 -0.026) 10.492 9.928 ( -0.285 -1.275 -3.562) 3.794 10.380 ( 8.006 0.348 1.601) 8.171 11.000 ( 14.021 -2.753 0.801) 14.311 12.211 ( -5.775 4.038 0.513) 7.065 13.798 ( -3.413 2.745 1.032) 4.500 14.414 ( -4.368 -8.438 -2.052) 9.721 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -21.305 -2.117 -1.283) 21.449 2.027 ( -24.147 -2.732 0.102) 24.301 2.604 ( -1.496 4.801 -4.268) 6.596 2.942 ( -6.304 -1.843 10.896) 12.722 2.993 ( -12.717 -2.492 3.894) 13.532 3.325 ( -9.625 -4.445 -8.737) 13.738 3.503 ( -10.418 1.161 -1.338) 10.568 3.604 ( -16.633 -6.040 0.160) 17.696 3.897 ( -8.219 -3.513 -0.418) 8.948 4.175 ( -12.539 -8.247 -0.706) 15.025 4.824 ( -14.441 -4.721 0.610) 15.206 5.156 ( 4.014 -0.505 1.500) 4.315 7.484 ( -5.025 -2.628 -2.077) 6.039 8.507 ( 6.242 0.618 0.778) 6.320 8.870 ( -6.438 0.287 -0.820) 6.496 9.133 ( -5.682 -0.210 -0.330) 5.695 9.167 ( -8.846 -3.148 2.741) 9.781 9.762 ( 6.204 7.328 1.394) 9.702 9.900 ( -0.799 -0.581 -3.286) 3.431 10.591 ( 14.044 4.184 2.610) 14.885 11.230 ( 16.538 -3.768 -0.909) 16.986 12.155 ( -4.413 2.636 0.170) 5.143 13.761 ( -5.730 5.166 -0.161) 7.717 14.212 ( -8.547 -9.643 -1.189) 12.940 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -25.380 -3.456 -1.670) 25.668 1.556 ( -27.859 -2.464 -0.626) 27.975 2.604 ( -23.781 -5.124 -3.883) 24.635 2.619 ( -5.988 -0.953 3.138) 6.827 2.806 ( -21.233 -0.192 8.096) 22.725 2.911 ( -15.592 -4.545 -3.132) 16.540 3.213 ( -12.071 -4.686 -3.628) 13.447 3.433 ( -4.563 1.358 -0.452) 4.782 3.864 ( -12.133 -3.229 -1.224) 12.615 3.936 ( 3.340 -0.882 0.863) 3.561 4.503 ( -15.701 -3.624 0.892) 16.138 5.269 ( 6.620 1.149 0.539) 6.741 7.369 ( -5.487 -1.649 -1.281) 5.871 8.666 ( 10.999 1.492 -0.245) 11.102 8.763 ( -5.797 -0.157 -0.656) 5.836 9.026 ( -5.021 -1.185 0.652) 5.200 9.045 ( -4.897 -0.503 1.091) 5.042 9.837 ( -2.054 -1.248 0.431) 2.441 9.957 ( 6.327 4.296 -1.054) 7.720 10.957 ( 20.851 7.617 4.879) 22.729 11.476 ( 18.218 -6.039 -3.941) 19.593 12.122 ( -2.347 2.889 -0.072) 3.723 13.695 ( -8.500 6.253 -3.146) 11.011 13.929 ( -13.340 -9.701 1.602) 16.572 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -28.526 -0.000 0.000) 28.526 1.042 ( -30.032 -0.000 0.000) 30.032 1.828 ( -49.687 -0.000 0.000) 49.687 2.499 ( -13.417 -0.000 0.000) 13.417 2.595 ( -7.391 -0.000 0.000) 7.391 2.702 ( -7.211 -0.000 0.000) 7.211 2.990 ( -10.428 -0.000 0.000) 10.428 3.386 ( -1.841 -0.000 0.000) 1.841 3.614 ( -12.639 -0.000 0.000) 12.639 4.033 ( 5.700 0.000 -0.000) 5.700 4.266 ( -9.713 -0.000 0.000) 9.713 5.378 ( 5.078 0.000 -0.000) 5.078 7.268 ( -4.847 -0.000 0.000) 4.847 8.675 ( -4.035 -0.000 0.000) 4.035 8.895 ( 13.522 0.000 -0.000) 13.522 8.957 ( -2.788 -0.000 0.000) 2.788 8.977 ( -2.026 -0.000 0.000) 2.026 9.763 ( -5.571 -0.000 0.000) 5.571 10.091 ( 6.539 0.000 -0.000) 6.539 11.425 ( 25.069 0.000 -0.000) 25.069 11.717 ( 16.220 0.000 -0.000) 16.220 12.135 ( 1.457 0.000 -0.000) 1.457 13.566 ( -10.806 -0.000 0.000) 10.806 13.601 ( -17.558 -0.000 0.000) 17.558 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 0.000 26.165 5.483) 26.733 1.249 ( 0.000 26.724 13.407) 29.898 2.146 ( 0.000 48.578 6.672) 49.035 2.409 ( -0.000 5.534 -12.299) 13.487 2.720 ( -0.000 15.566 -5.613) 16.547 2.770 ( 0.000 4.894 10.145) 11.263 3.049 ( 0.000 12.391 2.727) 12.687 3.371 ( -0.000 0.922 -1.729) 1.959 3.684 ( -0.000 13.583 -2.177) 13.756 3.993 ( -0.000 -3.000 -3.053) 4.280 4.305 ( -0.000 10.743 -4.625) 11.696 5.350 ( -0.000 -5.559 0.155) 5.561 7.286 ( 0.000 2.670 0.463) 2.710 8.681 ( -0.000 3.767 -1.043) 3.909 8.773 ( -0.000 -10.070 -6.721) 12.107 8.993 ( 0.000 3.794 0.825) 3.883 9.052 ( 0.000 1.596 8.768) 8.912 9.749 ( -0.000 3.986 -7.178) 8.210 10.047 ( 0.000 -8.695 1.841) 8.887 11.331 ( 0.000 -24.979 9.703) 26.798 11.680 ( -0.000 -11.396 -14.231) 18.231 12.031 ( -0.000 1.956 -1.471) 2.447 13.531 ( 0.000 9.405 4.278) 10.332 13.892 ( 0.000 9.395 17.728) 20.064 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 10.439 23.023 6.175) 26.022 1.612 ( 9.176 24.627 9.230) 27.854 2.470 ( 5.511 6.099 -11.181) 13.878 2.687 ( 7.256 27.970 -1.389) 28.929 2.846 ( 0.696 11.898 -0.660) 11.937 2.928 ( 8.151 16.874 7.986) 20.370 3.220 ( 3.706 12.095 4.122) 13.305 3.420 ( 4.178 3.154 -1.321) 5.399 3.836 ( 3.898 10.094 -3.021) 11.234 3.951 ( -2.122 0.306 0.992) 2.363 4.464 ( 5.151 15.339 -6.965) 17.616 5.270 ( -2.601 -6.018 0.235) 6.560 7.338 ( 2.665 3.585 -2.248) 5.001 8.646 ( -2.729 -8.153 -2.838) 9.054 8.752 ( 3.429 4.700 -0.904) 5.887 9.040 ( 0.644 4.313 1.169) 4.515 9.094 ( -0.343 5.281 6.290) 8.220 9.775 ( 1.343 1.471 -8.586) 8.814 9.972 ( 0.700 -8.004 2.613) 8.449 11.040 ( -9.647 -20.303 6.860) 23.502 11.421 ( -9.136 -12.001 -4.290) 15.681 12.108 ( 4.119 1.019 -1.984) 4.685 13.719 ( 10.441 4.651 5.462) 12.668 13.975 ( -4.746 12.349 5.660) 14.389 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 10.674 18.644 6.292) 22.385 2.056 ( 11.942 23.821 3.744) 26.908 2.600 ( 6.594 2.787 -7.056) 10.051 2.868 ( 0.677 8.148 -11.917) 14.452 3.004 ( 2.966 13.383 5.222) 14.669 3.316 ( 8.141 6.252 6.313) 12.051 3.486 ( 11.105 20.137 1.856) 23.071 3.574 ( 6.359 9.721 0.652) 11.634 3.888 ( 0.865 1.621 1.539) 2.397 4.070 ( 6.955 11.179 -0.542) 13.177 4.734 ( 9.607 15.147 -5.657) 18.808 5.153 ( -4.115 -5.512 0.086) 6.879 7.431 ( 4.499 3.517 -2.110) 6.088 8.521 ( -3.615 -5.103 0.568) 6.279 8.873 ( 4.248 5.912 -0.527) 7.299 9.116 ( 3.003 5.156 -0.219) 5.971 9.181 ( 1.593 8.022 4.264) 9.223 9.776 ( 0.228 -0.552 -8.147) 8.169 9.927 ( 0.116 -4.072 3.182) 5.169 10.682 ( -12.371 -13.844 4.063) 19.005 11.154 ( -6.517 -14.383 -1.191) 15.835 12.180 ( 2.535 3.846 -1.105) 4.737 13.898 ( 1.131 4.348 3.921) 5.963 14.063 ( 5.219 7.131 0.845) 8.877 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 9.198 14.956 4.011) 18.010 2.468 ( 7.872 23.499 0.354) 24.785 2.711 ( 2.776 5.427 -1.379) 6.250 2.906 ( 0.167 4.359 -9.342) 10.310 3.204 ( 4.803 10.807 1.914) 11.981 3.461 ( 4.572 3.296 3.931) 6.872 3.680 ( -1.456 -0.678 -0.211) 1.620 3.743 ( 4.655 10.697 2.166) 11.865 4.143 ( 12.544 14.450 -3.841) 19.517 4.349 ( 13.932 10.834 4.875) 18.310 4.987 ( -0.886 6.114 -0.604) 6.207 5.084 ( 8.477 0.449 -2.422) 8.827 7.546 ( 5.392 3.217 -0.272) 6.284 8.430 ( -2.595 -2.918 1.421) 4.156 8.997 ( 2.934 6.724 -0.282) 7.342 9.230 ( 3.777 5.240 -1.103) 6.553 9.331 ( 4.665 9.706 2.382) 11.029 9.728 ( -4.631 0.904 -3.840) 6.084 9.910 ( 0.744 -1.413 0.609) 1.709 10.403 ( -7.244 -9.670 3.207) 12.501 10.911 ( -4.602 -14.762 -1.546) 15.539 12.273 ( 2.020 7.517 -0.689) 7.814 13.902 ( -5.111 5.783 0.090) 7.718 14.242 ( 10.194 -1.300 1.889) 10.449 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 5.233 12.629 1.636) 13.768 2.756 ( 1.270 13.734 -2.418) 14.003 2.819 ( 0.659 15.959 2.093) 16.109 2.935 ( 0.414 4.371 -4.644) 6.391 3.364 ( 5.121 3.024 -0.219) 5.951 3.570 ( 1.641 5.659 3.945) 7.091 3.635 ( -2.186 1.141 -0.621) 2.543 3.905 ( 0.959 11.051 1.765) 11.232 4.398 ( 8.886 5.006 -5.685) 11.677 4.716 ( 11.389 6.166 5.038) 13.897 4.968 ( 2.009 4.057 0.018) 4.527 5.316 ( 11.943 1.588 -0.654) 12.066 7.673 ( 5.561 2.989 1.640) 6.522 8.381 ( -0.795 -1.756 0.388) 1.966 9.100 ( 1.237 7.042 -0.332) 7.158 9.331 ( 2.299 5.003 -0.252) 5.511 9.480 ( 0.570 4.217 -0.946) 4.359 9.664 ( -3.532 7.685 0.147) 8.459 9.930 ( 2.912 -1.016 -0.472) 3.120 10.254 ( -2.423 -6.050 2.489) 6.976 10.708 ( -2.034 -13.822 -1.904) 14.100 12.387 ( 0.339 11.366 -0.561) 11.385 13.861 ( -4.200 2.652 -0.642) 5.009 14.375 ( 8.899 -5.401 1.459) 10.512 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( -0.851 11.898 -0.162) 11.929 2.825 ( -1.448 5.969 0.951) 6.215 2.968 ( -3.608 13.701 -0.621) 14.181 3.023 ( 1.796 11.107 -1.842) 11.401 3.433 ( 3.359 -2.513 -1.070) 4.329 3.606 ( 1.127 -1.328 3.020) 3.486 3.680 ( -3.247 13.580 0.315) 13.966 3.993 ( -3.911 11.537 0.544) 12.194 4.552 ( 6.583 2.351 -3.999) 8.053 4.793 ( -0.223 -1.705 3.372) 3.785 5.191 ( 12.249 5.176 -0.684) 13.316 5.486 ( 8.752 -3.519 1.576) 9.563 7.792 ( 4.462 2.212 2.433) 5.543 8.366 ( 0.698 -1.415 -0.818) 1.777 9.172 ( -0.706 6.620 -0.392) 6.670 9.395 ( -2.849 5.725 0.326) 6.403 9.430 ( -3.658 1.614 -0.585) 4.040 9.761 ( 3.131 5.859 -1.279) 6.765 9.977 ( 2.365 0.069 1.643) 2.880 10.198 ( 1.230 -4.303 0.754) 4.539 10.567 ( 0.038 -10.421 -1.529) 10.533 12.495 ( -2.956 14.674 -0.418) 14.975 13.817 ( -1.603 -1.124 -0.232) 1.972 14.449 ( 7.373 -8.017 0.588) 10.908 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( -5.130 11.598 -0.723) 12.703 2.846 ( -2.237 4.526 1.426) 5.246 3.019 ( -6.064 13.161 -0.147) 14.492 3.119 ( -0.374 6.208 -1.081) 6.313 3.452 ( 2.926 -2.942 -1.791) 4.519 3.613 ( -1.840 1.540 3.040) 3.873 3.742 ( -4.883 12.491 -0.151) 13.412 4.013 ( -6.852 12.198 -0.149) 13.991 4.657 ( 4.915 0.493 -2.154) 5.389 4.764 ( -1.552 -2.178 2.848) 3.907 5.386 ( 7.705 -0.834 -1.771) 7.950 5.550 ( 4.571 -7.259 2.546) 8.948 7.864 ( 1.504 0.399 1.680) 2.289 8.368 ( 1.371 -1.538 -0.995) 2.288 9.205 ( -2.314 5.742 -0.390) 6.203 9.345 ( -6.251 7.014 0.800) 9.430 9.446 ( -0.094 1.906 -0.026) 1.909 9.835 ( 2.558 0.247 -2.068) 3.298 9.998 ( -1.886 2.430 2.118) 3.735 10.204 ( 5.533 -7.885 -0.272) 9.637 10.499 ( 0.837 -4.406 -0.574) 4.521 12.562 ( -7.019 15.970 -0.185) 17.446 13.790 ( 1.164 -3.354 0.560) 3.594 14.476 ( 6.152 -9.609 -0.394) 11.416 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( -7.066 10.436 -0.563) 12.616 2.844 ( -3.759 4.330 1.262) 5.871 3.013 ( -7.649 10.351 -0.997) 12.909 3.132 ( -4.414 4.531 0.821) 6.379 3.470 ( 2.633 -3.158 0.232) 4.118 3.579 ( -3.870 1.804 -1.294) 4.462 3.749 ( -7.583 10.019 0.800) 12.590 4.011 ( -7.329 11.927 -0.414) 14.005 4.695 ( -2.011 -2.696 3.429) 4.804 4.733 ( 2.127 -0.787 -1.898) 2.958 5.398 ( -2.348 -6.713 -0.266) 7.116 5.534 ( 2.927 -8.346 0.643) 8.867 7.852 ( -2.160 -1.810 -0.040) 2.818 8.374 ( 1.262 -1.733 -0.089) 2.145 9.206 ( -3.673 4.890 -0.291) 6.123 9.350 ( -3.108 9.645 1.463) 10.239 9.446 ( -1.535 0.942 -0.063) 1.802 9.846 ( 0.343 -2.958 -0.820) 3.089 9.979 ( -3.548 3.221 -0.445) 4.812 10.204 ( 4.182 -8.869 -0.279) 9.809 10.508 ( 4.104 -2.504 0.714) 4.861 12.564 ( -10.098 14.026 0.051) 17.283 13.795 ( 2.522 -2.379 1.349) 3.720 14.470 ( 4.885 -10.404 -1.319) 11.569 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( -9.943 6.108 0.882) 11.702 2.804 ( -6.228 5.990 -1.870) 8.841 2.981 ( -6.269 7.425 1.059) 9.775 3.048 ( -11.501 5.480 1.649) 12.846 3.455 ( -0.706 -4.609 2.023) 5.083 3.549 ( 0.749 -0.056 -4.449) 4.512 3.689 ( -9.704 8.163 1.258) 12.742 3.981 ( -8.706 9.103 -1.119) 12.646 4.606 ( -4.658 -4.345 3.572) 7.303 4.759 ( 1.225 -0.752 -1.665) 2.200 5.198 ( -11.050 -8.465 0.427) 13.926 5.471 ( -0.679 -9.337 -0.334) 9.368 7.766 ( -4.516 -2.947 -1.403) 5.572 8.377 ( 1.058 -1.750 0.869) 2.221 9.173 ( -5.307 3.920 -0.225) 6.602 9.396 ( -4.158 4.385 0.162) 6.045 9.446 ( 0.780 6.681 2.017) 7.023 9.772 ( -5.838 -2.539 0.190) 6.369 9.945 ( -2.236 0.776 -2.931) 3.767 10.193 ( 3.432 -4.871 0.008) 5.958 10.588 ( 9.117 -4.784 1.506) 10.405 12.499 ( -10.974 9.662 0.165) 14.623 13.831 ( 1.720 1.270 1.882) 2.848 14.431 ( 3.015 -10.694 -2.018) 11.293 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( -14.522 0.668 0.075) 14.537 2.757 ( -6.538 7.042 -2.581) 9.950 2.814 ( -21.132 7.479 1.803) 22.489 2.993 ( -1.209 2.449 3.271) 4.261 3.370 ( -3.556 -6.425 0.698) 7.377 3.522 ( -6.944 3.393 -2.696) 8.185 3.640 ( -0.514 2.568 0.419) 2.652 3.882 ( -10.812 5.420 -1.488) 12.185 4.465 ( -7.088 -5.843 3.647) 9.883 4.660 ( -13.471 -6.714 -2.780) 15.306 4.973 ( -4.455 -0.086 0.565) 4.491 5.321 ( -6.012 -9.424 0.158) 11.179 7.651 ( -5.051 -2.591 -1.782) 5.950 8.385 ( 1.706 -1.314 1.133) 2.433 9.101 ( -6.743 2.537 -0.215) 7.208 9.332 ( -5.393 0.951 -0.309) 5.485 9.510 ( -5.503 0.732 3.530) 6.579 9.662 ( -3.393 7.466 -0.260) 8.205 9.908 ( -0.668 -1.493 -3.721) 4.065 10.242 ( 6.612 -2.311 0.592) 7.029 10.729 ( 12.725 -5.162 1.283) 13.792 12.392 ( -9.817 5.140 0.118) 11.082 13.879 ( -0.634 5.267 1.942) 5.649 14.350 ( 0.177 -10.589 -2.246) 10.826 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -18.685 -1.080 -0.553) 18.724 2.471 ( -25.394 3.480 0.933) 25.649 2.706 ( -5.358 4.252 -2.069) 7.146 3.008 ( -0.866 1.511 4.488) 4.814 3.194 ( -11.290 -3.822 0.852) 11.950 3.410 ( -6.972 0.499 -2.928) 7.578 3.679 ( 1.147 0.771 -0.009) 1.382 3.722 ( -11.754 2.412 -0.946) 12.037 4.189 ( -25.773 -5.184 2.751) 26.432 4.294 ( -10.434 -5.795 -2.736) 12.245 4.990 ( -3.133 4.217 -0.238) 5.259 5.108 ( -4.968 -7.584 0.986) 9.120 7.543 ( -4.819 -1.446 -1.175) 5.167 8.423 ( 3.754 -0.478 0.627) 3.836 8.997 ( -7.367 1.100 -0.230) 7.452 9.238 ( -6.140 0.471 -0.459) 6.175 9.323 ( -11.666 -1.935 1.590) 11.932 9.771 ( 2.550 7.826 2.852) 8.711 9.879 ( 0.495 -2.157 -4.368) 4.897 10.388 ( 12.004 0.034 1.052) 12.050 10.921 ( 14.648 -3.628 0.288) 15.094 12.278 ( -7.357 1.964 0.016) 7.615 13.910 ( -3.609 6.888 1.244) 7.875 14.217 ( -3.712 -9.056 -1.592) 9.916 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -22.579 -0.000 0.000) 22.579 2.031 ( -27.802 -0.000 0.000) 27.802 2.653 ( -2.828 -0.000 0.000) 2.828 2.931 ( -16.661 -0.000 0.000) 16.661 2.993 ( -3.404 -0.000 0.000) 3.404 3.258 ( -13.648 -0.000 0.000) 13.648 3.475 ( -23.304 -0.000 0.000) 23.304 3.570 ( -11.415 -0.000 0.000) 11.415 3.874 ( -1.203 -0.000 0.000) 1.203 4.073 ( -12.499 -0.000 0.000) 12.499 4.772 ( -16.862 -0.000 0.000) 16.862 5.156 ( 6.918 0.000 -0.000) 6.918 7.451 ( -5.114 -0.000 0.000) 5.114 8.514 ( 7.233 0.000 -0.000) 7.233 8.876 ( -7.221 -0.000 0.000) 7.221 9.136 ( -8.730 -0.000 0.000) 8.730 9.136 ( -5.895 -0.000 0.000) 5.895 9.851 ( 0.019 0.000 -0.000) 0.019 9.887 ( 4.069 0.000 -0.000) 4.069 10.653 ( 18.187 0.000 -0.000) 18.187 11.159 ( 15.570 0.000 -0.000) 15.570 12.188 ( -4.319 -0.000 0.000) 4.319 13.870 ( -6.486 -0.000 0.000) 6.486 14.057 ( -8.547 -0.000 0.000) 8.547 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 0.000 22.386 5.796) 23.124 1.802 ( 0.000 23.950 10.942) 26.331 2.422 ( -0.000 1.400 -9.847) 9.946 2.865 ( -0.000 12.918 -17.374) 21.650 2.959 ( 0.000 9.273 6.859) 11.534 3.057 ( 0.000 26.569 12.913) 29.541 3.377 ( 0.000 21.130 4.107) 21.525 3.391 ( -0.000 2.108 -2.034) 2.929 3.866 ( -0.000 2.776 -1.465) 3.138 4.031 ( 0.000 11.553 -0.307) 11.557 4.572 ( -0.000 18.010 -7.852) 19.647 5.237 ( 0.000 -5.380 0.994) 5.471 7.348 ( -0.000 4.531 -3.778) 5.899 8.596 ( -0.000 -5.290 -1.782) 5.582 8.762 ( -0.000 4.842 -1.257) 5.003 9.083 ( 0.000 4.809 1.088) 4.931 9.172 ( 0.000 6.341 8.248) 10.404 9.759 ( -0.000 1.293 -10.361) 10.441 9.859 ( 0.000 -11.044 2.345) 11.290 10.926 ( 0.000 -19.998 10.378) 22.531 11.414 ( -0.000 -11.174 -6.035) 12.700 12.068 ( -0.000 2.463 -1.825) 3.066 13.685 ( 0.000 4.709 4.998) 6.867 14.146 ( 0.000 11.023 3.691) 11.625 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 8.382 19.388 5.850) 21.917 2.110 ( 7.325 21.929 7.811) 24.404 2.478 ( 7.055 1.432 -7.313) 10.262 2.901 ( -0.236 4.961 -14.753) 15.566 3.106 ( 3.733 11.483 5.230) 13.159 3.295 ( 1.529 8.414 5.765) 10.313 3.491 ( 7.606 7.862 0.756) 10.965 3.620 ( 2.139 15.831 1.359) 16.033 3.926 ( 1.296 12.356 2.479) 12.668 4.156 ( -0.273 14.522 -1.210) 14.575 4.762 ( 3.940 15.701 -6.579) 17.474 5.174 ( -2.883 -2.415 1.312) 3.983 7.408 ( 2.262 5.062 -3.245) 6.424 8.534 ( -2.408 -3.032 0.557) 3.911 8.847 ( 4.187 5.293 -1.207) 6.856 9.139 ( 0.752 5.115 1.071) 5.280 9.261 ( 0.282 8.848 6.646) 11.070 9.748 ( 0.370 0.539 -10.607) 10.627 9.804 ( 5.040 -10.148 2.822) 11.677 10.711 ( -6.555 -15.690 7.607) 18.628 11.193 ( -10.050 -9.959 -3.182) 14.502 12.140 ( 4.834 2.802 -1.586) 5.808 13.802 ( 7.191 2.232 3.675) 8.378 14.211 ( -4.714 10.009 1.071) 11.115 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 7.546 15.938 5.207) 18.386 2.509 ( 12.909 19.684 2.608) 23.684 2.637 ( 8.797 3.998 -4.086) 10.491 2.916 ( 1.276 2.930 -11.063) 11.515 3.290 ( -0.032 11.448 6.526) 13.177 3.398 ( 6.933 3.039 0.581) 7.593 3.686 ( -0.354 -0.967 0.219) 1.053 3.724 ( 8.811 8.317 1.339) 12.190 4.164 ( 3.003 18.206 -3.879) 18.855 4.339 ( 4.906 17.746 5.309) 19.162 4.955 ( 6.653 4.647 -3.232) 8.735 5.116 ( -4.992 6.156 0.511) 7.942 7.506 ( 3.752 5.210 -1.178) 6.528 8.460 ( -3.344 -2.218 1.926) 4.451 8.986 ( 5.426 5.766 -0.837) 7.962 9.221 ( 2.593 5.396 -0.202) 5.990 9.391 ( 1.777 10.934 4.484) 11.950 9.739 ( 0.658 0.339 -8.437) 8.469 9.826 ( 6.102 -6.902 2.500) 9.546 10.452 ( -8.971 -10.952 4.406) 14.827 10.912 ( -10.171 -9.985 -1.756) 14.361 12.269 ( 5.785 5.557 -0.862) 8.068 13.943 ( 6.140 -0.206 1.550) 6.336 14.205 ( -4.900 6.472 0.556) 8.136 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 6.452 12.878 3.043) 14.722 2.789 ( 4.810 3.480 -2.689) 6.517 2.908 ( 9.336 19.129 -0.608) 21.294 2.981 ( 3.935 7.149 -5.647) 9.924 3.347 ( -0.939 2.487 5.050) 5.707 3.554 ( 2.886 1.705 1.049) 3.513 3.695 ( 2.488 5.803 0.127) 6.315 3.946 ( 6.555 9.067 0.694) 11.209 4.326 ( 4.120 7.937 -5.200) 10.345 4.648 ( 7.854 13.932 5.244) 16.831 5.006 ( 0.000 0.201 0.447) 0.490 5.192 ( 3.646 7.457 -0.634) 8.325 7.629 ( 4.478 5.120 1.289) 6.923 8.392 ( -2.441 -1.994 1.152) 3.356 9.128 ( 3.990 6.469 -0.356) 7.609 9.322 ( 3.380 4.478 -1.021) 5.702 9.524 ( 0.565 8.059 1.040) 8.146 9.754 ( 1.382 2.781 -2.509) 3.993 9.865 ( 2.871 -2.385 -0.029) 3.732 10.253 ( -3.905 -6.674 3.129) 8.342 10.651 ( -7.719 -10.704 -1.834) 13.324 12.440 ( 5.616 9.531 -0.355) 11.068 13.977 ( -3.265 1.533 -1.028) 3.751 14.206 ( 2.729 -2.515 1.765) 4.109 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 3.805 10.348 0.883) 11.060 2.863 ( 1.847 2.475 -0.434) 3.118 3.087 ( 0.680 10.900 -2.405) 11.183 3.228 ( 1.695 19.952 -2.692) 20.204 3.353 ( 1.230 -2.596 3.014) 4.164 3.563 ( 1.961 -1.904 1.851) 3.301 3.849 ( 1.103 13.456 0.592) 13.514 4.114 ( 2.178 9.353 -0.084) 9.604 4.464 ( 6.139 4.236 -3.731) 8.339 4.807 ( -0.074 2.528 3.600) 4.399 5.085 ( 5.764 6.257 -0.068) 8.508 5.311 ( 6.642 -2.168 1.440) 7.133 7.757 ( 4.092 4.591 3.174) 6.921 8.345 ( -0.696 -2.157 -0.774) 2.395 9.240 ( 1.291 6.979 -0.192) 7.100 9.408 ( 2.508 2.844 -0.809) 3.877 9.546 ( -3.658 3.573 -1.660) 5.376 9.811 ( -1.638 5.167 2.414) 5.934 9.887 ( 4.970 -3.060 -1.303) 5.980 10.209 ( -0.860 1.373 2.196) 2.729 10.448 ( -1.624 -11.434 -2.411) 11.798 12.637 ( 3.589 13.809 -0.086) 14.268 13.888 ( -6.920 0.485 -1.062) 7.018 14.236 ( 6.516 -9.053 1.195) 11.218 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( -0.704 5.512 -1.648) 5.796 2.928 ( 0.780 5.825 2.928) 6.566 3.180 ( -1.628 10.605 -1.629) 10.852 3.308 ( -6.394 9.393 1.047) 11.411 3.370 ( 2.178 -1.864 -2.777) 3.992 3.647 ( 2.778 6.802 2.052) 7.629 3.966 ( -3.839 14.412 0.897) 14.941 4.205 ( -1.781 8.951 -0.549) 9.143 4.587 ( 4.505 3.278 -3.215) 6.433 4.793 ( -2.941 0.717 3.920) 4.953 5.239 ( 7.355 0.022 -1.224) 7.456 5.376 ( 6.504 -8.357 2.515) 10.884 7.857 ( 1.791 3.129 3.555) 5.063 8.322 ( 1.103 -2.462 -2.168) 3.461 9.304 ( -1.595 6.666 -0.275) 6.860 9.451 ( 0.090 1.042 -0.216) 1.068 9.513 ( -3.882 5.603 -0.446) 6.831 9.808 ( -0.344 -0.818 0.462) 1.000 9.969 ( 6.314 -1.869 1.242) 6.701 10.159 ( -5.988 -0.056 -0.707) 6.030 10.406 ( 4.857 -4.414 -1.073) 6.650 12.814 ( -1.616 17.350 -0.030) 17.425 13.775 ( -4.012 -2.763 0.049) 4.871 14.249 ( 7.150 -12.183 -0.017) 14.126 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( -2.215 3.777 -1.481) 4.623 2.977 ( -3.367 6.246 3.711) 8.007 3.223 ( -2.971 5.963 -2.799) 7.227 3.278 ( -6.983 9.026 0.220) 11.414 3.384 ( 3.257 -2.485 -1.041) 4.227 3.711 ( -5.308 7.503 0.867) 9.231 4.005 ( -7.881 13.369 0.875) 15.544 4.232 ( -4.947 8.688 -0.621) 10.017 4.674 ( 2.924 3.218 -1.920) 4.753 4.744 ( -3.855 -1.070 3.475) 5.299 5.313 ( 4.598 -5.634 -1.908) 7.518 5.378 ( 4.250 -10.831 2.530) 11.907 7.881 ( -1.930 0.620 1.915) 2.789 8.324 ( 2.133 -2.179 -1.677) 3.479 9.321 ( -3.373 5.889 -0.364) 6.796 9.454 ( -0.634 1.812 0.915) 2.127 9.520 ( -3.156 6.682 0.547) 7.409 9.797 ( 1.167 -3.097 0.089) 3.311 10.031 ( 2.290 -8.466 -0.904) 8.817 10.079 ( -0.799 4.937 -0.259) 5.008 10.439 ( 1.931 -2.237 -0.063) 2.956 12.891 ( -9.583 16.454 -0.202) 19.042 13.728 ( 2.078 -2.507 1.431) 3.557 14.243 ( 7.195 -13.375 -1.183) 15.234 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( -2.651 2.540 -1.243) 3.876 2.938 ( -8.004 3.712 2.798) 9.256 3.190 ( -7.282 7.739 -1.030) 10.676 3.263 ( -3.564 5.334 -1.811) 6.666 3.426 ( 2.976 -0.779 1.149) 3.284 3.609 ( -11.429 2.068 -0.456) 11.623 3.966 ( -10.514 10.242 0.821) 14.701 4.204 ( -7.423 6.931 -0.569) 10.172 4.647 ( -4.667 -4.451 1.007) 6.527 4.748 ( 0.972 4.614 0.555) 4.748 5.254 ( -3.938 -6.653 -0.363) 7.740 5.343 ( 3.820 -10.601 0.354) 11.273 7.821 ( -4.591 -1.210 0.025) 4.748 8.338 ( 1.754 -1.535 -0.388) 2.363 9.304 ( -4.837 4.647 -0.247) 6.712 9.456 ( -1.316 0.354 0.037) 1.363 9.553 ( -1.766 8.926 3.258) 9.665 9.777 ( -0.115 -3.032 -2.058) 3.666 9.958 ( 0.249 -6.617 -0.271) 6.627 10.150 ( 0.569 5.521 -1.348) 5.711 10.431 ( 2.839 -5.775 1.145) 6.536 12.812 ( -13.998 9.796 -0.210) 17.087 13.800 ( 4.703 3.053 2.303) 6.061 14.227 ( 6.456 -12.997 -2.053) 14.656 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -12.249 0.834 0.414) 12.285 2.873 ( -2.573 1.597 -0.394) 3.053 3.126 ( -8.388 5.845 1.059) 10.278 3.222 ( -11.787 8.843 -2.137) 14.890 3.362 ( -7.572 -6.155 2.853) 10.167 3.510 ( 3.432 -1.374 -1.937) 4.174 3.850 ( -12.288 5.508 0.534) 13.476 4.108 ( -10.055 3.898 -0.509) 10.796 4.516 ( -5.136 -4.587 0.470) 6.902 4.772 ( -3.755 1.723 0.347) 4.146 5.085 ( -8.683 -2.230 0.050) 8.965 5.289 ( -0.036 -7.288 -0.169) 7.290 7.719 ( -5.470 -1.195 -0.561) 5.627 8.351 ( 1.318 -0.817 0.213) 1.565 9.241 ( -6.555 2.308 -0.071) 6.950 9.415 ( -3.590 0.221 -0.320) 3.611 9.614 ( -3.099 4.327 4.879) 7.220 9.737 ( -0.027 0.888 -4.402) 4.490 9.912 ( -0.633 -3.275 0.580) 3.386 10.172 ( -1.248 2.398 -1.445) 3.065 10.486 ( 10.127 -4.882 1.259) 11.312 12.637 ( -13.491 3.691 -0.069) 13.987 13.925 ( 2.727 6.679 2.212) 7.546 14.198 ( 4.486 -10.531 -2.167) 11.650 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( -15.708 -0.000 0.000) 15.708 2.821 ( -5.204 -0.000 0.000) 5.204 2.916 ( -23.054 -0.000 0.000) 23.054 3.057 ( -4.390 -0.000 0.000) 4.390 3.278 ( -2.431 -0.000 0.000) 2.431 3.535 ( -2.727 -0.000 0.000) 2.727 3.693 ( -6.237 -0.000 0.000) 6.237 3.939 ( -11.699 -0.000 0.000) 11.699 4.395 ( -6.525 -0.000 0.000) 6.525 4.578 ( -19.238 -0.000 0.000) 19.238 5.003 ( -0.042 -0.000 0.000) 0.042 5.197 ( -6.408 -0.000 0.000) 6.408 7.620 ( -5.223 -0.000 0.000) 5.223 8.374 ( 1.922 0.000 -0.000) 1.922 9.130 ( -7.440 -0.000 0.000) 7.440 9.339 ( -5.323 -0.000 0.000) 5.323 9.509 ( -9.989 -0.000 0.000) 9.989 9.792 ( 2.904 0.000 -0.000) 2.904 9.860 ( -2.564 -0.000 0.000) 2.564 10.220 ( 6.769 0.000 -0.000) 6.769 10.667 ( 13.103 0.000 -0.000) 13.103 12.444 ( -10.825 -0.000 0.000) 10.825 13.991 ( -0.527 -0.000 0.000) 0.527 14.183 ( 0.987 0.000 -0.000) 0.987 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 0.000 17.805 5.930) 18.766 2.286 ( 0.000 20.823 9.040) 22.700 2.400 ( -0.000 0.280 -6.072) 6.078 2.904 ( -0.000 1.814 -15.156) 15.265 3.145 ( 0.000 6.909 1.007) 6.982 3.443 ( 0.000 10.425 7.806) 13.023 3.451 ( -0.000 4.910 -0.306) 4.920 3.696 ( 0.000 2.068 0.383) 2.103 4.126 ( 0.000 26.025 1.103) 26.048 4.311 ( 0.000 16.150 0.598) 16.161 4.848 ( -0.000 9.552 -4.898) 10.735 5.216 ( 0.000 5.470 1.108) 5.581 7.440 ( -0.000 6.498 -2.714) 7.042 8.539 ( 0.000 -1.132 0.803) 1.388 8.856 ( -0.000 5.095 -1.217) 5.238 9.185 ( 0.000 4.807 1.325) 4.986 9.369 ( 0.000 9.988 7.796) 12.670 9.645 ( 0.000 -11.444 2.258) 11.664 9.728 ( -0.000 0.839 -11.103) 11.135 10.642 ( 0.000 -12.900 6.952) 14.654 11.184 ( -0.000 -10.346 -2.684) 10.688 12.110 ( -0.000 2.630 -1.833) 3.206 13.778 ( 0.000 3.326 2.980) 4.466 14.347 ( 0.000 8.464 0.430) 8.475 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 7.327 15.022 5.391) 17.562 2.455 ( 7.368 3.613 -3.216) 8.814 2.565 ( 7.313 16.054 5.649) 18.524 2.885 ( 0.713 0.252 -12.377) 12.400 3.278 ( 8.303 4.744 -1.724) 9.717 3.446 ( -3.668 6.893 4.768) 9.149 3.644 ( 7.946 5.716 1.326) 9.878 3.689 ( -0.557 -0.858 1.930) 2.184 4.327 ( -1.556 16.141 -6.281) 17.389 4.513 ( 0.749 22.080 6.938) 23.156 4.915 ( 1.820 2.841 -1.862) 3.853 5.281 ( -3.087 12.155 0.094) 12.542 7.519 ( 1.677 7.298 -0.964) 7.550 8.504 ( -3.027 -1.207 1.300) 3.508 8.944 ( 4.531 4.915 -1.110) 6.776 9.243 ( 1.139 4.739 1.052) 4.986 9.493 ( 0.649 11.284 5.430) 12.540 9.610 ( 7.020 -10.082 2.796) 12.600 9.719 ( 0.726 1.312 -9.592) 9.708 10.491 ( -5.852 -9.631 4.439) 12.113 10.994 ( -8.916 -9.143 -1.830) 12.901 12.196 ( 6.647 3.416 -1.363) 7.597 13.850 ( 3.950 1.581 1.915) 4.666 14.378 ( -5.159 6.787 -0.021) 8.525 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 6.075 11.841 3.910) 13.871 2.671 ( 12.030 3.847 -2.410) 12.858 2.882 ( 10.440 11.663 -0.180) 15.655 2.910 ( 5.690 3.267 -5.392) 8.493 3.417 ( 0.610 2.325 1.750) 2.974 3.522 ( 4.036 5.320 1.529) 6.850 3.668 ( 2.606 1.007 1.246) 3.059 3.871 ( 10.002 5.965 0.938) 11.683 4.403 ( -2.367 10.498 -5.766) 12.209 4.730 ( 1.438 12.711 5.626) 13.975 4.980 ( 2.161 5.390 -0.230) 5.812 5.332 ( -5.178 11.506 0.443) 12.625 7.631 ( 2.777 7.371 1.298) 7.983 8.429 ( -3.799 -2.010 0.735) 4.361 9.086 ( 6.416 4.538 -0.762) 7.896 9.320 ( 2.127 4.616 0.015) 5.082 9.608 ( 0.641 5.078 -1.795) 5.424 9.666 ( 6.149 -3.053 5.156) 8.586 9.771 ( 5.667 3.289 -4.512) 7.956 10.293 ( -7.797 -6.819 2.384) 10.629 10.734 ( -10.876 -7.548 -1.478) 13.321 12.383 ( 9.691 6.129 -0.641) 11.484 13.925 ( 4.034 -1.686 0.568) 4.409 14.312 ( -8.609 4.196 0.232) 9.580 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( 5.341 7.008 0.648) 8.835 2.838 ( 3.870 5.113 -0.045) 6.413 3.074 ( 10.970 5.235 -3.612) 12.680 3.188 ( 9.920 5.893 -0.950) 11.578 3.446 ( -1.657 7.816 3.010) 8.538 3.531 ( -0.442 -1.981 1.417) 2.476 3.867 ( 9.580 8.563 0.557) 12.862 4.100 ( 8.939 6.308 -0.072) 10.941 4.451 ( -0.235 6.967 -3.838) 7.958 4.831 ( 1.813 2.107 3.452) 4.432 5.090 ( 1.646 8.241 0.021) 8.404 5.325 ( -5.805 5.605 1.729) 8.253 7.759 ( 3.197 6.920 3.515) 8.394 8.348 ( -2.736 -2.768 -1.155) 4.060 9.236 ( 5.890 4.363 -0.299) 7.336 9.395 ( 1.834 3.309 -0.696) 3.847 9.619 ( -1.096 1.399 -3.365) 3.806 9.759 ( 5.336 -0.957 4.031) 6.755 9.897 ( 0.791 4.835 -0.852) 4.972 10.161 ( 1.354 -4.159 1.136) 4.519 10.484 ( -10.370 -5.142 -1.684) 11.697 12.634 ( 10.289 9.852 -0.099) 14.245 13.946 ( 1.322 -3.754 -1.118) 4.134 14.180 ( -8.562 -0.709 1.243) 8.681 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( 3.385 2.384 0.614) 4.186 2.962 ( 1.831 7.721 -0.161) 7.937 3.265 ( 2.907 6.464 -2.305) 7.453 3.284 ( 3.119 -2.879 0.989) 4.358 3.452 ( -2.034 1.038 -0.040) 2.284 3.667 ( 6.556 12.292 1.331) 13.995 4.089 ( 5.426 9.831 0.628) 11.246 4.264 ( 2.284 6.391 -1.408) 6.931 4.536 ( 4.586 4.282 -1.722) 6.506 4.877 ( 0.004 2.984 2.518) 3.905 5.167 ( 1.390 1.423 -0.320) 2.015 5.260 ( -3.181 -2.864 2.259) 4.840 7.881 ( 1.978 5.992 5.035) 8.073 8.280 ( -0.666 -3.635 -3.348) 4.987 9.360 ( 3.012 4.762 0.117) 5.636 9.441 ( 1.206 1.264 -0.920) 1.975 9.601 ( -1.948 2.219 -1.623) 3.369 9.814 ( -0.190 -1.869 -2.453) 3.090 9.891 ( 0.373 0.943 6.909) 6.983 10.234 ( 4.077 -7.866 -3.030) 9.363 10.307 ( -3.918 5.279 -0.311) 6.582 12.915 ( 8.379 13.859 0.238) 16.197 13.874 ( -6.859 -1.408 -1.802) 7.230 14.046 ( -0.116 -10.026 1.574) 10.149 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( -1.140 4.174 -0.296) 4.337 3.042 ( 1.705 3.677 1.742) 4.411 3.283 ( -2.135 -1.545 -2.614) 3.712 3.299 ( 1.877 -0.699 1.104) 2.287 3.464 ( -2.286 6.621 -0.384) 7.015 3.850 ( 0.451 9.405 0.237) 9.418 4.241 ( -1.874 12.326 0.698) 12.487 4.309 ( -0.128 2.185 -0.789) 2.327 4.659 ( 4.202 4.797 -1.998) 6.682 4.879 ( -6.945 6.504 3.179) 10.032 5.163 ( 3.346 -8.781 0.619) 9.417 5.208 ( 3.167 -7.373 0.202) 8.027 7.943 ( -2.056 3.515 4.060) 5.750 8.252 ( 2.500 -3.164 -3.403) 5.277 9.420 ( -1.482 4.850 -0.143) 5.073 9.463 ( 0.742 0.228 0.111) 0.784 9.608 ( -0.393 4.104 -1.077) 4.261 9.758 ( -0.949 -3.628 0.959) 3.871 9.939 ( 1.414 -1.818 2.796) 3.623 10.135 ( -2.111 -1.315 -2.809) 3.752 10.392 ( 2.830 1.809 -0.293) 3.372 13.156 ( 0.096 16.666 0.072) 16.667 13.723 ( -5.516 -2.279 0.475) 5.988 13.984 ( 5.883 -13.931 -0.515) 15.131 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( -3.357 1.675 -0.692) 3.814 3.096 ( -3.671 4.476 4.350) 7.241 3.210 ( 0.549 -3.477 -4.617) 5.806 3.350 ( 3.578 -0.028 1.416) 3.849 3.449 ( -6.626 5.157 -0.961) 8.451 3.845 ( -8.939 4.146 0.082) 9.855 4.219 ( -8.626 5.488 -0.576) 10.240 4.342 ( -2.242 4.254 1.191) 4.954 4.691 ( -4.687 -1.425 -1.119) 5.025 4.846 ( -3.764 9.319 1.818) 10.213 5.139 ( 5.939 -10.418 -0.628) 12.008 5.211 ( 3.182 -5.070 0.515) 6.008 7.901 ( -5.039 0.450 1.017) 5.160 8.281 ( 3.289 -1.173 -1.020) 3.638 9.417 ( -3.460 3.258 -0.258) 4.760 9.470 ( -0.207 0.127 0.383) 0.453 9.649 ( -0.369 5.162 0.221) 5.180 9.736 ( 1.778 -2.881 1.521) 3.712 9.887 ( -1.885 -4.858 -1.469) 5.414 10.168 ( 3.773 3.308 -0.381) 5.032 10.398 ( -2.260 -1.649 0.069) 2.798 13.149 ( -14.657 7.980 -0.335) 16.692 13.751 ( 6.305 5.343 2.331) 8.587 13.962 ( 7.740 -13.505 -1.968) 15.689 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( -2.673 -0.000 0.000) 2.673 2.984 ( -9.854 -0.000 0.000) 9.854 3.246 ( 3.366 0.000 -0.000) 3.366 3.328 ( -9.851 -0.000 0.000) 9.851 3.424 ( 4.469 0.000 -0.000) 4.469 3.639 ( -16.846 -0.000 0.000) 16.846 4.082 ( -10.913 -0.000 0.000) 10.913 4.282 ( -7.477 -0.000 0.000) 7.477 4.576 ( -5.299 -0.000 0.000) 5.299 4.843 ( -3.084 -0.000 0.000) 3.084 5.185 ( -3.694 -0.000 0.000) 3.694 5.194 ( 5.815 0.000 -0.000) 5.815 7.809 ( -5.649 -0.000 0.000) 5.649 8.320 ( 2.020 0.000 -0.000) 2.020 9.357 ( -5.420 -0.000 0.000) 5.420 9.457 ( -1.469 -0.000 0.000) 1.469 9.698 ( 1.982 0.000 -0.000) 1.982 9.717 ( -3.352 -0.000 0.000) 3.352 9.855 ( 2.662 0.000 -0.000) 2.662 10.292 ( -7.123 -0.000 0.000) 7.123 10.297 ( 8.057 0.000 -0.000) 8.057 12.911 ( -16.002 -0.000 0.000) 16.002 13.918 ( 4.139 0.000 -0.000) 4.139 14.006 ( 9.053 0.000 -0.000) 9.053 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -0.000 2.617 -3.306) 4.216 2.437 ( 0.000 10.637 5.877) 12.152 2.693 ( 0.000 16.371 4.874) 17.081 2.851 ( -0.000 -0.181 -9.478) 9.480 3.231 ( -0.000 2.893 -3.649) 4.657 3.575 ( 0.000 6.628 1.699) 6.842 3.595 ( 0.000 2.507 2.066) 3.248 3.691 ( 0.000 -0.749 3.745) 3.819 4.466 ( -0.000 11.712 -6.659) 13.473 4.720 ( 0.000 14.528 6.426) 15.886 4.950 ( -0.000 9.462 -0.648) 9.484 5.438 ( 0.000 13.329 0.280) 13.332 7.584 ( 0.000 8.532 0.032) 8.532 8.526 ( 0.000 -1.123 0.390) 1.189 8.946 ( -0.000 4.419 -0.991) 4.529 9.273 ( 0.000 2.893 2.182) 3.624 9.445 ( 0.000 -8.846 0.921) 8.893 9.622 ( 0.000 12.013 6.625) 13.719 9.708 ( -0.000 1.725 -9.003) 9.167 10.468 ( 0.000 -7.181 2.991) 7.780 10.979 ( -0.000 -9.665 -1.452) 9.774 12.153 ( -0.000 2.398 -1.527) 2.843 13.849 ( 0.000 2.885 1.601) 3.299 14.484 ( 0.000 5.498 -0.224) 5.503 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 10.929 1.326 -2.328) 11.253 2.618 ( 6.154 10.370 5.279) 13.164 2.802 ( 2.850 0.058 -10.086) 10.481 2.919 ( 2.578 11.966 5.831) 13.559 3.328 ( 8.482 2.692 -2.888) 9.356 3.569 ( -2.090 2.147 1.516) 3.358 3.659 ( 0.237 0.704 2.025) 2.157 3.762 ( 7.603 3.129 2.288) 8.534 4.534 ( -2.206 9.133 -5.550) 10.913 4.801 ( -0.003 1.907 4.222) 4.632 5.090 ( -0.684 16.807 0.521) 16.829 5.531 ( -3.862 11.334 1.043) 12.019 7.681 ( 1.168 8.595 1.487) 8.800 8.476 ( -3.614 -2.092 -0.345) 4.190 9.025 ( 4.512 3.659 -0.828) 5.868 9.322 ( 2.737 1.865 1.907) 3.822 9.433 ( 6.404 -6.565 0.026) 9.171 9.709 ( -0.012 2.753 -4.805) 5.538 9.764 ( 1.499 10.735 3.642) 11.435 10.364 ( -5.750 -4.656 1.311) 7.514 10.814 ( -7.262 -8.500 -1.277) 11.252 12.255 ( 8.938 2.968 -1.031) 9.474 13.885 ( 0.773 1.326 0.973) 1.817 14.482 ( -5.620 4.008 -0.173) 6.905 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 11.298 2.527 -0.220) 11.580 2.832 ( 7.279 7.606 0.859) 10.563 2.870 ( 9.642 0.063 -3.538) 10.271 3.096 ( 6.173 5.547 0.334) 8.306 3.498 ( 4.422 5.154 1.047) 6.872 3.542 ( -1.662 -0.719 1.313) 2.237 3.747 ( 9.261 3.713 1.382) 10.073 3.961 ( 11.320 2.870 0.224) 11.680 4.555 ( -3.186 7.248 -4.309) 9.014 4.815 ( 0.681 -0.984 3.323) 3.532 5.213 ( -2.572 12.635 0.115) 12.894 5.528 ( -7.838 7.586 1.770) 11.051 7.796 ( 2.132 7.852 3.158) 8.728 8.378 ( -4.339 -2.998 -1.601) 5.512 9.153 ( 6.688 2.578 -0.541) 7.188 9.397 ( 2.215 2.953 0.256) 3.700 9.507 ( 8.646 -5.562 -0.533) 10.294 9.736 ( 1.400 2.280 -0.983) 2.850 9.903 ( 2.757 8.077 1.608) 8.684 10.201 ( -8.325 -3.060 0.467) 8.882 10.599 ( -8.615 -5.471 -1.289) 10.286 12.492 ( 13.929 4.836 -0.427) 14.750 13.892 ( -0.096 -1.674 0.193) 1.687 14.375 ( -10.386 2.174 0.122) 10.612 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( 5.492 1.173 -0.394) 5.630 2.999 ( 3.186 7.004 0.932) 7.751 3.133 ( 15.838 1.817 -0.600) 15.953 3.207 ( 4.311 -1.199 -1.337) 4.670 3.475 ( -2.520 -1.818 0.480) 3.144 3.662 ( 6.114 8.446 1.443) 10.526 3.996 ( 12.480 4.175 0.450) 13.168 4.190 ( 11.467 2.910 -0.151) 11.832 4.562 ( -1.808 5.520 -2.893) 6.489 4.833 ( 2.843 -1.890 2.452) 4.203 5.243 ( -4.712 5.951 -0.171) 7.592 5.421 ( -11.176 3.171 1.782) 11.754 7.919 ( 2.645 6.955 4.767) 8.837 8.269 ( -3.571 -4.061 -3.494) 6.438 9.291 ( 6.992 1.545 -0.256) 7.165 9.447 ( 0.804 2.121 -0.197) 2.277 9.582 ( 4.216 -2.147 -1.624) 5.002 9.803 ( 2.803 3.076 1.322) 4.366 9.963 ( -4.600 0.578 2.575) 5.303 10.087 ( 1.723 -2.741 -1.796) 3.702 10.435 ( -6.436 0.033 -1.031) 6.518 12.806 ( 15.702 6.995 0.022) 17.189 13.853 ( -0.601 -4.333 -0.606) 4.416 14.178 ( -13.755 -0.092 0.554) 13.766 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( 5.847 1.514 0.686) 6.079 3.072 ( -1.278 3.292 -1.131) 3.708 3.227 ( 2.998 -2.052 1.803) 4.056 3.324 ( 0.470 0.403 -1.695) 1.805 3.468 ( 4.798 1.084 0.318) 4.930 3.859 ( 6.817 5.330 0.186) 8.655 4.215 ( 8.708 2.703 0.551) 9.135 4.357 ( 3.523 3.122 -1.011) 4.815 4.617 ( 3.791 3.872 -0.953) 5.502 4.907 ( 7.666 -1.079 1.332) 7.855 5.167 ( -7.960 0.214 0.986) 8.023 5.233 ( -11.439 -1.114 -0.022) 11.493 8.029 ( -0.184 6.279 6.036) 8.711 8.172 ( -0.025 -5.308 -5.472) 7.623 9.410 ( 5.259 0.662 0.010) 5.300 9.469 ( -0.158 1.477 -0.214) 1.501 9.611 ( 1.612 -0.208 -0.708) 1.773 9.802 ( -6.195 0.916 -1.593) 6.462 9.930 ( 1.722 0.193 5.862) 6.113 10.094 ( 1.908 -3.822 -3.536) 5.545 10.394 ( -0.397 2.620 -0.265) 2.664 13.147 ( 14.809 7.881 0.256) 16.777 13.798 ( 0.006 -4.641 -1.384) 4.843 13.919 ( -14.659 -2.600 1.136) 14.931 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( -4.130 -0.000 0.000) 4.130 3.074 ( 6.238 0.000 -0.000) 6.238 3.254 ( -5.853 -0.000 0.000) 5.853 3.285 ( 3.911 0.000 -0.000) 3.911 3.539 ( -0.094 -0.000 0.000) 0.094 3.946 ( -0.280 -0.000 0.000) 0.280 4.320 ( 0.536 0.000 -0.000) 0.536 4.384 ( -0.668 -0.000 0.000) 0.668 4.729 ( 3.713 0.000 -0.000) 3.713 5.016 ( -4.090 -0.000 0.000) 4.090 5.029 ( -6.520 -0.000 0.000) 6.520 5.081 ( 5.607 0.000 -0.000) 5.607 7.999 ( -5.591 -0.000 0.000) 5.591 8.200 ( 4.978 0.000 -0.000) 4.978 9.463 ( 0.310 0.000 -0.000) 0.310 9.475 ( -0.157 -0.000 0.000) 0.157 9.655 ( 3.683 0.000 -0.000) 3.683 9.711 ( -3.635 -0.000 0.000) 3.635 9.925 ( -3.300 -0.000 0.000) 3.300 10.113 ( 3.323 0.000 -0.000) 3.323 10.416 ( 0.252 0.000 -0.000) 0.252 13.376 ( 0.113 0.000 -0.000) 0.113 13.705 ( -2.492 -0.000 0.000) 2.492 13.785 ( 2.372 0.000 -0.000) 2.372 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( -0.000 0.428 -2.031) 2.076 2.662 ( 0.000 7.945 5.494) 9.660 2.749 ( -0.000 -1.424 -9.218) 9.328 3.050 ( 0.000 12.790 7.317) 14.735 3.249 ( -0.000 1.133 -4.370) 4.515 3.592 ( -0.000 -1.366 -0.535) 1.467 3.699 ( 0.000 -0.568 3.099) 3.151 3.699 ( 0.000 4.015 1.714) 4.365 4.621 ( -0.000 7.000 -4.439) 8.289 4.813 ( 0.000 -0.505 3.126) 3.167 5.267 ( 0.000 15.522 0.280) 15.525 5.671 ( 0.000 9.256 1.564) 9.387 7.759 ( 0.000 8.286 1.831) 8.486 8.488 ( -0.000 -2.426 -1.320) 2.762 9.015 ( -0.000 2.778 -0.654) 2.854 9.250 ( 0.000 -5.747 3.003) 6.484 9.380 ( -0.000 1.774 -0.901) 1.989 9.713 ( -0.000 1.905 -5.294) 5.626 9.876 ( 0.000 10.233 5.083) 11.426 10.385 ( 0.000 -1.737 0.115) 1.741 10.788 ( -0.000 -9.240 -1.014) 9.295 12.189 ( -0.000 1.707 -0.998) 1.977 13.905 ( 0.000 2.136 0.819) 2.287 14.566 ( -0.000 2.989 -0.208) 2.996 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 12.899 0.926 -0.595) 12.946 2.738 ( 2.549 -1.252 -6.080) 6.710 2.798 ( 6.361 5.302 3.868) 9.140 3.119 ( -2.118 5.228 1.246) 5.777 3.400 ( 11.955 5.580 0.654) 13.209 3.563 ( -1.546 -1.298 0.414) 2.060 3.684 ( 0.956 -0.795 0.963) 1.573 3.814 ( 7.591 1.846 0.649) 7.839 4.654 ( -1.997 5.112 -3.258) 6.382 4.809 ( -0.180 -0.967 2.509) 2.694 5.376 ( -2.331 10.342 -0.197) 10.603 5.711 ( -4.712 6.093 1.642) 7.875 7.848 ( 1.099 6.725 2.298) 7.191 8.421 ( -4.010 -2.670 -1.719) 5.115 9.077 ( 4.407 1.775 -0.460) 4.774 9.279 ( 8.136 -4.173 1.543) 9.273 9.408 ( 1.279 1.534 -0.410) 2.039 9.727 ( 0.809 1.459 -3.059) 3.484 9.971 ( -0.076 6.948 3.544) 7.800 10.326 ( -6.510 0.890 -0.395) 6.582 10.650 ( -4.910 -7.553 -0.950) 9.059 12.299 ( 10.731 1.703 -0.563) 10.879 13.910 ( -1.580 0.820 0.429) 1.831 14.538 ( -5.950 1.818 -0.091) 6.222 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 8.140 1.684 1.506) 8.448 2.818 ( 16.509 -1.213 -3.838) 16.992 2.975 ( 7.642 3.596 2.276) 8.747 3.138 ( 1.301 0.173 -1.104) 1.715 3.509 ( -2.700 -0.737 0.202) 2.806 3.643 ( 4.650 5.262 2.012) 7.305 3.778 ( 14.115 -0.691 -0.417) 14.138 3.994 ( 11.813 0.718 -0.029) 11.835 4.645 ( -2.907 2.986 -1.934) 4.594 4.802 ( 0.070 -0.942 1.617) 1.873 5.387 ( -4.962 4.597 -0.215) 6.768 5.636 ( -9.341 2.628 1.041) 9.759 7.939 ( 2.586 4.303 2.331) 5.535 8.309 ( -5.357 -2.359 -1.823) 6.131 9.184 ( 6.484 0.757 -0.200) 6.531 9.421 ( 9.834 -1.321 0.213) 9.925 9.446 ( 2.195 0.268 -0.118) 2.214 9.762 ( 2.829 0.829 -0.712) 3.032 10.018 ( -0.698 2.322 1.295) 2.749 10.181 ( -10.556 0.490 -0.195) 10.569 10.513 ( -4.479 -2.472 -0.664) 5.159 12.559 ( 16.927 1.848 -0.156) 17.028 13.868 ( -3.262 -0.690 0.048) 3.334 14.402 ( -11.214 0.652 0.047) 11.233 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( 5.922 0.000 -0.000) 5.922 3.082 ( 4.693 0.000 -0.000) 4.693 3.163 ( 2.656 0.000 -0.000) 2.656 3.164 ( 15.949 0.000 -0.000) 15.949 3.456 ( -2.550 -0.000 0.000) 2.550 3.755 ( 7.049 0.000 -0.000) 7.049 4.037 ( 13.637 0.000 -0.000) 13.637 4.217 ( 12.733 0.000 -0.000) 12.733 4.618 ( -1.264 -0.000 0.000) 1.264 4.812 ( 2.234 0.000 -0.000) 2.234 5.303 ( -7.153 -0.000 0.000) 7.153 5.458 ( -12.848 -0.000 0.000) 12.848 8.026 ( 4.411 0.000 -0.000) 4.411 8.195 ( -5.877 -0.000 0.000) 5.877 9.304 ( 7.017 0.000 -0.000) 7.017 9.469 ( 0.858 0.000 -0.000) 0.858 9.555 ( 5.232 0.000 -0.000) 5.232 9.850 ( 6.540 0.000 -0.000) 6.540 9.955 ( -8.941 -0.000 0.000) 8.941 10.059 ( -1.420 -0.000 0.000) 1.420 10.439 ( -3.210 -0.000 0.000) 3.210 12.881 ( 18.767 0.000 -0.000) 18.767 13.803 ( -3.080 -0.000 0.000) 3.080 14.179 ( -15.018 -0.000 0.000) 15.018 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( -0.000 0.176 -0.599) 0.625 2.696 ( -0.000 -0.799 -3.203) 3.301 2.786 ( 0.000 2.761 2.329) 3.613 3.247 ( -0.000 0.264 -2.028) 2.045 3.271 ( 0.000 6.186 3.268) 6.996 3.566 ( 0.000 -0.971 0.227) 0.997 3.665 ( -0.000 -1.921 0.063) 1.922 3.768 ( 0.000 1.686 0.536) 1.769 4.705 ( -0.000 2.776 -1.797) 3.307 4.807 ( 0.000 -0.745 1.455) 1.634 5.475 ( -0.000 5.412 -0.281) 5.419 5.802 ( 0.000 3.252 1.035) 3.413 7.895 ( 0.000 3.884 1.320) 4.103 8.435 ( -0.000 -1.690 -1.206) 2.077 9.046 ( -0.000 0.623 -0.196) 0.653 9.177 ( 0.000 -2.023 0.875) 2.204 9.410 ( -0.000 0.940 -0.166) 0.955 9.727 ( -0.000 0.820 -1.681) 1.870 10.032 ( 0.000 3.442 2.188) 4.079 10.412 ( -0.000 4.136 -0.393) 4.155 10.612 ( -0.000 -7.461 -0.554) 7.481 12.209 ( -0.000 0.621 -0.345) 0.711 13.937 ( 0.000 0.801 0.258) 0.841 14.603 ( -0.000 0.936 -0.069) 0.939 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 13.987 0.000 -0.000) 13.987 2.709 ( 2.338 0.000 -0.000) 2.338 2.861 ( 6.495 0.000 -0.000) 6.495 3.162 ( -3.643 -0.000 0.000) 3.643 3.490 ( 14.861 0.000 -0.000) 14.861 3.546 ( -1.748 -0.000 0.000) 1.748 3.656 ( 0.310 0.000 -0.000) 0.310 3.836 ( 6.772 0.000 -0.000) 6.772 4.700 ( -1.911 -0.000 0.000) 1.911 4.803 ( -0.221 -0.000 0.000) 0.221 5.478 ( -2.757 -0.000 0.000) 2.757 5.776 ( -5.049 -0.000 0.000) 5.049 7.928 ( 1.352 0.000 -0.000) 1.352 8.383 ( -4.346 -0.000 0.000) 4.346 9.092 ( 4.506 0.000 -0.000) 4.506 9.240 ( 8.129 0.000 -0.000) 8.129 9.425 ( 1.121 0.000 -0.000) 1.121 9.736 ( 0.867 0.000 -0.000) 0.867 10.045 ( -0.665 -0.000 0.000) 0.665 10.362 ( -8.573 -0.000 0.000) 8.573 10.549 ( -2.063 -0.000 0.000) 2.063 12.315 ( 11.394 0.000 -0.000) 11.394 13.919 ( -2.445 -0.000 0.000) 2.445 14.556 ( -6.070 -0.000 0.000) 6.070 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.185 ( 0.000 -0.000 27.972) 27.972 0.185 ( 0.000 -0.000 27.972) 27.972 0.412 ( 0.000 -0.000 62.223) 62.223 2.240 ( -0.000 0.000 -6.309) 6.309 2.240 ( -0.000 0.000 -6.309) 6.309 2.702 ( 0.000 -0.000 4.383) 4.383 2.702 ( 0.000 -0.000 4.383) 4.383 3.360 ( -0.000 0.000 -0.912) 0.912 3.360 ( -0.000 0.000 -0.912) 0.912 4.090 ( -0.000 0.000 -14.786) 14.786 4.232 ( 0.000 -0.000 2.821) 2.821 5.474 ( 0.000 -0.000 2.131) 2.131 8.607 ( -0.000 0.000 -0.031) 0.031 8.607 ( -0.000 0.000 -0.031) 0.031 8.910 ( 0.000 -0.000 0.071) 0.071 8.910 ( 0.000 -0.000 0.071) 0.071 9.203 ( -0.000 0.000 -0.395) 0.395 9.501 ( 0.000 -0.000 0.828) 0.828 10.224 ( 0.000 -0.000 0.710) 0.710 10.224 ( 0.000 -0.000 0.710) 0.710 11.994 ( -0.000 0.000 -0.589) 0.589 11.994 ( -0.000 0.000 -0.589) 0.589 13.120 ( 0.000 -0.000 0.393) 0.393 16.126 ( -0.000 0.000 -0.509) 0.509 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 23.293 13.448 10.828) 28.994 0.719 ( 21.789 12.580 22.751) 33.922 1.153 ( 42.223 24.377 17.147) 51.682 2.314 ( 7.104 4.101 -7.470) 11.094 2.365 ( 11.659 6.731 -8.719) 16.039 2.691 ( -1.343 -0.776 5.064) 5.296 2.894 ( 8.883 5.129 4.161) 11.069 3.365 ( 0.526 0.304 -0.897) 1.083 3.454 ( 8.018 4.629 -1.102) 9.324 4.022 ( 0.110 0.063 -13.737) 13.737 4.214 ( -0.136 -0.079 4.019) 4.022 5.438 ( -2.927 -1.690 1.061) 3.542 7.347 ( -9.975 -5.759 26.711) 29.089 8.634 ( 2.085 1.204 0.428) 2.446 8.902 ( 0.482 0.278 -5.217) 5.246 8.926 ( 1.582 0.914 -0.233) 1.842 9.142 ( -12.107 -6.990 3.309) 14.366 9.649 ( 7.792 4.499 -3.725) 9.738 10.173 ( -4.354 -2.514 0.607) 5.064 11.445 ( -2.720 -1.571 -39.159) 39.285 12.008 ( 1.118 0.645 -0.492) 1.381 12.096 ( 3.191 1.843 -14.630) 15.087 13.301 ( 16.085 9.287 -1.882) 18.668 13.934 ( -36.231 -20.918 88.061) 97.494 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 21.862 12.622 6.572) 26.086 1.260 ( 21.858 12.620 13.937) 28.832 2.113 ( 38.012 21.946 2.405) 43.958 2.505 ( 10.427 6.020 -11.234) 16.467 2.670 ( 16.293 9.407 -5.816) 19.692 2.670 ( -1.309 -0.756 8.658) 8.789 3.138 ( 10.791 6.230 7.826) 14.714 3.383 ( 1.284 0.741 -0.606) 1.602 3.695 ( 12.886 7.440 -1.170) 14.925 3.983 ( -2.455 -1.418 -4.015) 4.915 4.301 ( 9.251 5.341 -5.636) 12.078 5.346 ( -5.224 -3.016 0.175) 6.035 7.333 ( 2.609 1.506 4.823) 5.686 8.701 ( 3.597 2.077 0.650) 4.204 8.808 ( -8.905 -5.141 -6.540) 12.186 8.979 ( 3.036 1.753 -0.360) 3.524 8.991 ( 0.060 0.035 6.195) 6.195 9.782 ( 4.928 2.845 -4.363) 7.171 10.037 ( -7.557 -4.363 0.932) 8.776 11.120 ( -16.180 -9.341 -7.727) 20.218 11.874 ( -15.983 -9.228 1.117) 18.489 12.039 ( 1.699 0.981 -0.737) 2.095 13.656 ( 2.844 1.642 10.829) 11.316 13.767 ( 12.012 6.935 11.522) 18.032 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 18.169 10.490 4.014) 21.360 1.760 ( 19.879 11.477 7.678) 24.205 2.603 ( -0.401 -0.231 -2.504) 2.547 2.700 ( 13.839 7.990 -14.121) 21.326 2.785 ( 10.228 5.905 0.222) 11.812 3.180 ( 26.514 15.308 8.223) 31.701 3.402 ( 12.211 7.050 5.174) 15.020 3.423 ( 2.362 1.363 0.097) 2.729 3.899 ( -1.906 -1.100 1.307) 2.559 4.024 ( 14.134 8.160 -1.372) 16.378 4.597 ( 16.460 9.503 -6.170) 19.983 5.215 ( -5.697 -3.289 -0.710) 6.616 7.435 ( 5.326 3.075 0.553) 6.175 8.602 ( -7.515 -4.339 -1.255) 8.767 8.794 ( 4.393 2.537 0.527) 5.100 9.059 ( 3.980 2.298 -0.196) 4.600 9.067 ( 5.261 3.037 1.592) 6.280 9.845 ( -9.282 -5.359 1.511) 10.824 9.863 ( 3.252 1.878 -4.304) 5.712 10.759 ( -14.098 -8.139 0.999) 16.310 11.512 ( -14.987 -8.653 0.252) 17.307 12.079 ( 1.888 1.090 -1.189) 2.483 13.688 ( 1.228 0.709 5.451) 5.633 14.120 ( 13.755 7.941 2.131) 16.025 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 13.437 7.758 1.346) 15.574 2.191 ( 16.918 9.767 3.132) 19.784 2.581 ( -1.155 -0.667 2.845) 3.142 2.863 ( 5.163 2.981 -10.697) 12.246 3.019 ( 10.077 5.818 -4.086) 12.333 3.490 ( 3.346 1.932 1.034) 3.999 3.550 ( 7.486 4.322 9.658) 12.961 3.681 ( 2.046 1.181 -1.167) 2.635 4.055 ( 19.451 11.230 -1.124) 22.488 4.361 ( 15.555 8.981 2.104) 18.084 4.902 ( 6.399 3.695 -1.370) 7.515 5.163 ( 5.661 3.268 -2.934) 7.165 7.563 ( 5.716 3.300 0.602) 6.627 8.470 ( -4.023 -2.322 -0.402) 4.662 8.896 ( 4.333 2.501 0.087) 5.004 9.153 ( 4.088 2.360 0.352) 4.734 9.234 ( 9.101 5.255 -0.022) 10.509 9.634 ( -9.279 -5.357 1.841) 10.872 9.920 ( 2.562 1.479 -3.033) 4.237 10.500 ( -9.086 -5.246 2.766) 10.850 11.208 ( -11.758 -6.789 -1.207) 13.631 12.118 ( 1.840 1.062 -1.529) 2.617 13.735 ( 2.136 1.233 1.331) 2.802 14.383 ( 9.111 5.260 1.870) 10.685 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 8.516 4.917 -1.551) 9.955 2.537 ( 13.085 7.555 -0.613) 15.121 2.571 ( -0.446 -0.257 5.144) 5.169 2.933 ( 3.023 1.745 -4.268) 5.513 3.214 ( 7.840 4.527 -4.493) 10.107 3.573 ( 3.501 2.021 1.717) 4.392 3.628 ( -2.223 -1.283 1.893) 3.189 3.690 ( 1.587 0.916 4.070) 4.464 4.412 ( 10.932 6.312 -5.981) 13.969 4.754 ( 14.086 8.132 5.265) 17.095 4.934 ( 3.892 2.247 -0.427) 4.515 5.411 ( 11.844 6.838 -1.577) 13.767 7.695 ( 5.565 3.213 1.598) 6.622 8.410 ( -1.316 -0.760 -0.991) 1.814 8.986 ( 3.532 2.039 -0.413) 4.099 9.233 ( 2.154 1.243 1.525) 2.917 9.450 ( -6.534 -3.772 1.086) 7.622 9.464 ( 10.679 6.165 -1.341) 12.403 9.969 ( 1.976 1.141 -0.202) 2.291 10.353 ( -4.250 -2.454 1.389) 5.100 10.967 ( -9.352 -5.399 -1.322) 10.879 12.155 ( 1.625 0.938 -1.492) 2.398 13.788 ( 2.230 1.287 0.307) 2.593 14.550 ( 5.434 3.137 1.217) 6.391 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 4.123 2.381 -3.576) 5.954 2.583 ( 0.355 0.205 6.203) 6.217 2.766 ( 7.069 4.082 -3.944) 9.066 3.005 ( 3.882 2.241 1.945) 4.886 3.352 ( 5.072 2.928 -4.005) 7.095 3.578 ( -1.858 -1.073 -0.231) 2.158 3.648 ( 2.504 1.446 1.955) 3.490 3.688 ( -2.265 -1.308 2.897) 3.904 4.587 ( 6.354 3.669 -3.278) 8.036 4.834 ( -1.125 -0.649 2.506) 2.823 5.228 ( 14.304 8.258 -0.831) 16.538 5.621 ( 6.311 3.644 1.191) 7.384 7.815 ( 4.421 2.553 1.778) 5.406 8.396 ( 0.153 0.088 -1.211) 1.224 9.052 ( 2.292 1.323 -0.691) 2.736 9.214 ( -3.793 -2.190 2.545) 5.066 9.389 ( 0.729 0.421 -0.342) 0.908 9.684 ( 8.557 4.941 -3.010) 10.329 9.997 ( -0.185 -0.107 3.414) 3.421 10.321 ( 1.565 0.903 -0.638) 1.916 10.769 ( -7.961 -4.596 -0.899) 9.237 12.184 ( 1.213 0.700 -1.027) 1.737 13.834 ( 1.728 0.998 0.351) 2.026 14.643 ( 2.725 1.574 0.371) 3.169 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 1.497 0.865 -3.380) 3.796 2.601 ( -0.282 -0.163 5.124) 5.135 2.854 ( 2.209 1.275 -2.941) 3.893 3.095 ( 2.227 1.286 3.076) 4.009 3.426 ( 2.091 1.207 -3.349) 4.129 3.549 ( -0.347 -0.200 -1.895) 1.937 3.633 ( -2.286 -1.320 2.332) 3.522 3.690 ( 0.713 0.412 1.889) 2.060 4.703 ( 4.325 2.497 -1.141) 5.123 4.795 ( -2.629 -1.518 1.711) 3.485 5.468 ( 6.503 3.754 -1.973) 7.763 5.701 ( 0.572 0.330 2.660) 2.741 7.888 ( 1.425 0.822 0.816) 1.836 8.404 ( 0.559 0.323 -0.279) 0.703 9.086 ( 0.942 0.544 -0.838) 1.373 9.141 ( -2.231 -1.288 1.386) 2.926 9.414 ( 0.781 0.451 -0.096) 0.907 9.828 ( 4.993 2.883 -4.504) 7.316 9.970 ( -2.825 -1.631 4.687) 5.710 10.411 ( 5.469 3.157 -0.451) 6.331 10.600 ( -6.428 -3.711 -0.330) 7.429 12.204 ( 0.581 0.336 -0.309) 0.739 13.864 ( 0.680 0.393 0.722) 1.067 14.681 ( 0.714 0.412 -0.506) 0.968 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 0.366 0.211 -2.230) 2.269 2.581 ( -2.386 -1.377 3.066) 4.122 2.879 ( 0.283 0.163 0.775) 0.841 3.077 ( -4.032 -2.328 0.414) 4.674 3.433 ( -0.874 -0.505 -2.351) 2.559 3.558 ( 1.264 0.730 -1.619) 2.180 3.616 ( 0.591 0.341 1.148) 1.336 3.686 ( -1.350 -0.780 1.462) 2.138 4.726 ( -3.699 -2.136 2.189) 4.799 4.777 ( 2.308 1.333 -0.985) 2.842 5.482 ( -5.554 -3.207 -0.148) 6.415 5.687 ( -1.645 -0.950 0.925) 2.113 7.877 ( -2.395 -1.383 -0.838) 2.889 8.417 ( 0.367 0.212 1.522) 1.580 9.090 ( -0.675 -0.390 -0.514) 0.934 9.130 ( 1.275 0.736 -0.092) 1.476 9.415 ( -0.679 -0.392 0.053) 0.786 9.889 ( -5.471 -3.159 4.554) 7.788 9.902 ( 2.708 1.564 -5.465) 6.297 10.417 ( -4.811 -2.778 0.363) 5.567 10.606 ( 6.791 3.921 0.532) 7.859 12.208 ( -0.191 -0.110 0.359) 0.421 13.867 ( -0.622 -0.359 1.125) 1.335 14.675 ( -1.025 -0.592 -1.316) 1.770 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( -3.031 -1.750 2.820) 4.495 2.514 ( -2.367 -1.367 -3.167) 4.183 2.818 ( -8.193 -4.731 4.391) 10.430 2.987 ( -1.334 -0.770 -1.621) 2.236 3.377 ( -3.730 -2.153 -0.500) 4.336 3.586 ( 1.162 0.671 0.759) 1.541 3.636 ( -3.110 -1.796 0.488) 3.624 3.644 ( 1.206 0.696 -2.925) 3.240 4.637 ( -4.901 -2.829 3.871) 6.856 4.803 ( 0.171 0.099 -2.194) 2.203 5.239 ( -14.907 -8.607 0.759) 17.230 5.612 ( -5.593 -3.229 0.025) 6.459 7.785 ( -4.951 -2.859 -2.527) 6.251 8.427 ( 0.166 0.096 3.246) 3.252 9.054 ( -2.364 -1.365 -0.474) 2.770 9.190 ( 3.490 2.015 -0.747) 4.098 9.392 ( -0.755 -0.436 0.112) 0.879 9.729 ( -9.380 -5.415 3.797) 11.477 9.933 ( 1.141 0.658 -6.072) 6.213 10.339 ( -1.497 -0.864 1.925) 2.587 10.781 ( 8.154 4.708 0.912) 9.459 12.196 ( -0.950 -0.549 0.700) 1.301 13.842 ( -1.763 -1.018 1.405) 2.474 14.627 ( -2.986 -1.724 -1.938) 3.955 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -10.148 -5.859 3.401) 12.202 2.500 ( 1.055 0.609 -5.373) 5.509 2.552 ( -14.774 -8.529 2.205) 17.201 2.991 ( 0.433 0.250 3.098) 3.139 3.261 ( -6.711 -3.874 2.196) 8.054 3.555 ( -3.768 -2.175 -0.824) 4.428 3.579 ( -2.925 -1.689 -3.940) 5.189 3.661 ( 1.599 0.923 -0.805) 2.014 4.495 ( -9.815 -5.667 6.164) 12.902 4.682 ( -15.275 -8.819 -5.281) 18.412 4.944 ( -4.656 -2.688 0.908) 5.452 5.426 ( -10.596 -6.117 0.645) 12.252 7.658 ( -5.360 -3.095 -3.796) 7.261 8.444 ( 0.759 0.438 3.886) 3.984 8.982 ( -3.707 -2.140 -0.966) 4.389 9.224 ( -1.413 -0.816 0.397) 1.679 9.439 ( 5.846 3.375 -0.473) 6.767 9.495 ( -11.297 -6.522 3.256) 13.445 9.931 ( -0.080 -0.046 -5.807) 5.807 10.366 ( 3.373 1.947 3.026) 4.932 10.980 ( 9.292 5.365 0.806) 10.760 12.169 ( -1.559 -0.900 0.589) 1.894 13.795 ( -2.548 -1.471 1.415) 3.265 14.527 ( -5.555 -3.207 -2.156) 6.767 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -14.968 -8.642 1.594) 17.356 2.174 ( -18.653 -10.770 1.206) 21.573 2.521 ( 1.760 1.016 -5.687) 6.039 2.994 ( -1.808 -1.044 7.341) 7.632 3.081 ( -9.659 -5.576 4.825) 12.152 3.427 ( -9.312 -5.376 -7.749) 13.253 3.473 ( -3.053 -1.762 -1.508) 3.834 3.688 ( -1.697 -0.980 0.256) 1.976 4.077 ( -24.160 -13.949 2.384) 27.999 4.332 ( -12.591 -7.270 -2.082) 14.687 4.907 ( -5.081 -2.934 -0.740) 5.914 5.196 ( -5.900 -3.406 1.687) 7.018 7.532 ( -4.961 -2.864 -4.303) 7.165 8.490 ( 3.009 1.737 2.735) 4.422 8.886 ( -4.457 -2.573 -1.370) 5.325 9.158 ( -3.890 -2.246 1.000) 4.602 9.259 ( -9.607 -5.547 3.491) 11.629 9.621 ( 9.315 5.378 -0.111) 10.756 9.907 ( -0.936 -0.541 -5.154) 5.266 10.510 ( 8.879 5.126 4.337) 11.132 11.211 ( 11.027 6.366 -0.432) 12.740 12.130 ( -1.937 -1.118 0.115) 2.239 13.733 ( -3.223 -1.861 0.982) 3.849 14.360 ( -8.881 -5.128 -1.525) 10.368 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( -19.452 -11.230 0.759) 22.474 1.714 ( -22.015 -12.710 1.526) 25.466 2.545 ( 1.234 0.712 -8.378) 8.498 2.857 ( -10.643 -6.145 8.142) 14.742 2.880 ( -15.582 -8.996 13.178) 22.302 3.058 ( -21.014 -12.133 -11.117) 26.691 3.355 ( -17.381 -10.035 -1.186) 20.105 3.414 ( -1.867 -1.078 -1.327) 2.531 3.880 ( 1.298 0.749 -1.140) 1.883 4.032 ( -12.527 -7.233 0.153) 14.466 4.630 ( -15.165 -8.756 -0.941) 17.537 5.230 ( 5.107 2.948 0.829) 5.954 7.409 ( -5.061 -2.922 -3.938) 7.047 8.606 ( 7.173 4.142 -0.107) 8.284 8.781 ( -4.352 -2.512 -1.413) 5.220 9.068 ( -3.996 -2.307 1.043) 4.731 9.088 ( -6.100 -3.522 4.282) 8.243 9.839 ( 9.441 5.451 0.603) 10.919 9.864 ( -2.061 -1.190 -4.551) 5.136 10.802 ( 15.856 9.154 7.281) 19.703 11.480 ( 12.987 7.498 -4.067) 15.537 12.084 ( -2.025 -1.169 -0.460) 2.383 13.648 ( -4.449 -2.569 -0.049) 5.138 14.114 ( -12.702 -7.334 1.060) 14.705 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -23.037 -13.301 1.347) 26.635 1.188 ( -24.616 -14.212 4.544) 28.785 2.113 ( -42.829 -24.727 3.255) 49.562 2.486 ( -5.554 -3.206 -10.962) 12.700 2.701 ( -3.424 -1.977 10.388) 11.115 2.735 ( -13.474 -7.779 1.156) 15.602 3.051 ( -10.648 -6.148 -3.378) 12.751 3.380 ( -0.913 -0.527 -1.003) 1.455 3.694 ( -12.281 -7.091 -1.157) 14.229 4.004 ( 4.544 2.623 -0.581) 5.279 4.324 ( -10.395 -6.001 -1.408) 12.085 5.351 ( 4.843 2.796 0.036) 5.592 7.291 ( -4.393 -2.536 -1.921) 5.424 8.688 ( -3.394 -1.960 -1.105) 4.072 8.813 ( 10.805 6.238 -5.134) 13.491 8.987 ( -3.182 -1.837 0.811) 3.763 8.999 ( -2.461 -1.421 6.822) 7.390 9.787 ( -4.072 -2.351 -3.920) 6.121 10.038 ( 7.584 4.378 1.030) 8.817 11.259 ( 21.974 12.687 11.870) 28.012 11.773 ( 13.903 8.027 -13.183) 20.773 12.039 ( -1.725 -0.996 -0.825) 2.156 13.518 ( -7.259 -4.191 -1.602) 8.534 13.801 ( -14.981 -8.649 10.248) 20.106 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 0.000 25.965 12.375) 28.764 0.780 ( 0.000 24.749 23.863) 34.379 1.205 ( 0.000 46.523 22.924) 51.864 2.259 ( -0.000 5.589 -10.872) 12.225 2.379 ( -0.000 15.098 -8.551) 17.351 2.740 ( 0.000 1.080 7.840) 7.914 2.855 ( 0.000 8.292 2.605) 8.692 3.356 ( -0.000 0.273 -1.710) 1.732 3.450 ( -0.000 8.928 -1.216) 9.010 3.985 ( -0.000 0.525 -15.828) 15.837 4.220 ( 0.000 -0.743 2.060) 2.190 5.442 ( 0.000 -3.544 2.126) 4.133 7.392 ( 0.000 -18.442 28.512) 33.957 8.623 ( -0.000 1.884 -0.521) 1.955 8.882 ( -0.000 -1.865 -6.512) 6.774 8.934 ( 0.000 2.200 0.447) 2.245 9.158 ( 0.000 -10.407 4.035) 11.162 9.624 ( -0.000 7.506 -5.299) 9.188 10.184 ( 0.000 -4.639 1.620) 4.914 11.531 ( -0.000 20.418 -48.974) 53.060 11.876 ( 0.000 -13.008 1.159) 13.060 11.998 ( -0.000 0.980 -1.332) 1.654 13.278 ( 0.000 14.210 0.545) 14.221 14.192 ( 0.000 -46.085 83.656) 95.510 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 13.933 23.555 9.090) 28.837 1.174 ( 11.429 21.752 18.147) 30.546 1.896 ( 20.676 39.233 9.467) 45.347 2.385 ( 9.318 7.155 -11.978) 16.777 2.568 ( 5.920 15.123 -7.547) 17.909 2.751 ( -2.157 4.531 8.340) 9.733 3.045 ( 8.896 7.796 6.642) 13.566 3.375 ( 1.562 1.341 -1.661) 2.645 3.603 ( 6.655 10.515 -1.909) 12.589 3.973 ( 0.311 0.236 -9.028) 9.036 4.241 ( 2.835 4.562 -5.083) 7.395 5.380 ( -2.905 -4.683 1.573) 5.731 7.320 ( 0.581 -2.677 8.446) 8.879 8.674 ( 2.836 2.923 -0.229) 4.079 8.807 ( -2.139 -7.673 -8.872) 11.923 8.968 ( 0.981 3.132 0.433) 3.311 9.058 ( -3.982 -0.985 8.736) 9.651 9.712 ( 4.103 3.294 -6.918) 8.691 10.106 ( -3.581 -4.990 1.997) 6.459 11.320 ( -17.690 -4.848 -11.254) 21.520 11.745 ( 1.374 -20.588 1.440) 20.684 12.091 ( 2.880 0.713 -5.000) 5.814 13.554 ( 13.640 13.874 0.444) 19.461 13.901 ( -12.370 -6.198 35.877) 38.453 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 13.578 21.019 6.926) 25.965 1.631 ( 14.276 18.838 10.524) 25.874 2.483 ( 13.393 10.251 -11.243) 20.270 2.620 ( 6.924 12.583 -11.139) 18.176 2.779 ( 2.244 9.124 7.557) 12.058 2.969 ( 18.954 21.472 6.769) 29.430 3.286 ( 9.215 5.140 5.946) 12.112 3.433 ( 2.257 5.020 -0.282) 5.511 3.861 ( 11.924 9.704 -2.016) 15.506 3.929 ( -2.152 -2.781 -0.645) 3.575 4.438 ( 11.939 12.219 -9.151) 19.380 5.264 ( -4.903 -5.284 0.759) 7.248 7.375 ( 4.451 1.721 1.009) 4.878 8.646 ( -4.872 -7.408 -3.607) 9.573 8.767 ( 3.583 4.437 -0.051) 5.703 9.031 ( 2.510 3.513 0.873) 4.405 9.066 ( 0.428 4.590 4.913) 6.737 9.776 ( 3.464 -0.777 -7.439) 8.242 9.986 ( -6.631 -1.837 2.587) 7.351 10.930 ( -16.559 -9.809 0.796) 19.263 11.507 ( -4.194 -21.182 -0.064) 21.594 12.109 ( -0.574 3.491 -1.944) 4.037 13.793 ( -6.795 6.508 9.421) 13.314 13.934 ( 16.040 6.345 3.468) 17.594 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 9.750 18.315 4.422) 21.215 2.060 ( 13.462 16.365 4.751) 21.716 2.617 ( 1.089 3.256 -2.754) 4.401 2.782 ( 5.025 6.164 -12.729) 15.010 2.965 ( 5.850 11.785 0.688) 13.175 3.428 ( 6.072 2.230 5.248) 8.329 3.534 ( 8.222 11.743 4.140) 14.921 3.604 ( 10.745 9.856 0.001) 14.581 3.913 ( 6.062 4.449 1.288) 7.628 4.180 ( 15.101 8.150 -0.068) 17.161 4.784 ( 13.856 11.565 -5.420) 18.844 5.137 ( -2.915 -4.021 -0.408) 4.984 7.490 ( 6.040 2.578 -0.385) 6.579 8.505 ( -4.027 -4.407 -0.091) 5.971 8.875 ( 3.153 5.346 -0.187) 6.209 9.129 ( 3.659 4.545 -0.260) 5.841 9.171 ( 4.726 6.684 3.125) 8.762 9.742 ( -5.031 -3.298 -2.164) 6.393 9.904 ( -1.534 1.886 -1.640) 2.932 10.603 ( -10.888 -9.282 4.077) 14.878 11.227 ( -5.636 -17.030 -1.730) 18.021 12.144 ( -0.129 5.349 -1.421) 5.536 13.783 ( -3.421 5.861 2.800) 7.341 14.235 ( 12.866 2.712 2.102) 13.316 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 4.688 15.908 1.309) 16.636 2.424 ( 11.206 13.392 0.574) 17.472 2.645 ( -2.410 5.998 2.679) 6.998 2.872 ( 3.949 2.079 -7.247) 8.511 3.180 ( 5.600 11.508 -3.129) 13.176 3.522 ( 3.122 0.865 4.025) 5.167 3.664 ( -1.517 -1.645 -1.342) 2.609 3.714 ( 2.158 8.372 5.031) 10.003 4.251 ( 14.402 8.845 -5.243) 17.696 4.560 ( 18.546 9.766 4.863) 21.517 4.935 ( -1.327 0.568 0.245) 1.464 5.241 ( 13.685 5.131 -2.795) 14.880 7.622 ( 6.343 2.629 0.514) 6.885 8.422 ( -2.045 -2.273 0.514) 3.100 8.974 ( 2.308 5.410 -0.513) 5.904 9.230 ( 2.568 4.873 0.514) 5.532 9.363 ( 7.996 7.258 0.622) 10.816 9.583 ( -9.530 -0.073 0.898) 9.572 9.930 ( 2.659 0.736 -2.780) 3.916 10.395 ( -5.501 -6.861 3.625) 9.512 10.983 ( -4.636 -13.825 -1.940) 14.710 12.198 ( -0.790 7.387 -1.346) 7.550 13.796 ( -1.070 3.613 0.712) 3.835 14.437 ( 9.335 -0.452 1.330) 9.440 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -0.272 13.369 -1.428) 13.448 2.674 ( -3.342 8.145 4.974) 10.111 2.696 ( 7.123 9.666 -3.085) 12.397 2.945 ( 4.397 1.135 -0.922) 4.634 3.356 ( 3.206 10.378 -4.100) 11.610 3.555 ( -0.237 -1.738 3.622) 4.025 3.637 ( 0.569 -0.541 0.173) 0.804 3.794 ( -3.083 8.071 2.408) 8.969 4.486 ( 8.686 3.728 -4.540) 10.486 4.831 ( 1.746 -0.845 3.761) 4.232 5.053 ( 14.344 8.143 -0.100) 16.495 5.500 ( 11.102 2.297 0.037) 11.337 7.754 ( 5.731 2.295 1.565) 6.369 8.389 ( -0.161 -1.072 -0.260) 1.114 9.054 ( 1.081 4.990 -0.723) 5.156 9.296 ( -1.929 4.180 1.793) 4.941 9.413 ( -4.214 -0.247 -0.028) 4.222 9.607 ( 6.560 8.253 -1.372) 10.631 9.981 ( 2.606 0.184 0.355) 2.637 10.291 ( -0.584 -4.404 1.341) 4.641 10.786 ( -3.666 -11.223 -1.371) 11.886 12.252 ( -2.293 9.322 -1.066) 9.659 13.817 ( 0.688 0.983 0.498) 1.299 14.557 ( 6.542 -2.746 0.418) 7.107 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -3.555 11.192 -2.399) 11.985 2.706 ( -4.364 8.797 4.992) 11.017 2.833 ( 1.974 5.077 -4.049) 6.788 3.047 ( 4.917 1.625 1.991) 5.548 3.470 ( 0.836 7.142 -3.727) 8.099 3.529 ( -1.815 0.278 1.632) 2.456 3.641 ( 0.060 -1.236 1.693) 2.097 3.801 ( -5.519 8.880 0.980) 10.501 4.631 ( 6.253 1.886 -1.892) 6.799 4.815 ( -1.340 -2.102 2.383) 3.449 5.348 ( 11.180 4.176 -1.468) 12.024 5.647 ( 5.497 -1.874 2.414) 6.290 7.856 ( 3.440 0.992 1.602) 3.922 8.388 ( 0.972 -0.647 -0.653) 1.338 9.104 ( -0.318 4.207 -0.767) 4.288 9.237 ( -6.776 3.504 1.761) 7.829 9.411 ( 0.752 1.651 -0.197) 1.825 9.769 ( 4.998 4.761 -3.524) 7.750 10.000 ( -0.906 -0.877 3.624) 3.837 10.306 ( 5.983 -2.481 -0.432) 6.492 10.627 ( -3.470 -8.196 -0.717) 8.929 12.294 ( -4.063 10.419 -0.537) 11.196 13.838 ( 1.575 -1.157 0.882) 2.144 14.615 ( 4.488 -4.364 -0.499) 6.280 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( -4.904 9.906 -2.301) 11.290 2.709 ( -6.345 7.996 3.837) 10.905 2.880 ( 0.259 3.003 -1.802) 3.511 3.105 ( -0.332 -0.467 1.604) 1.703 3.505 ( -4.572 5.290 -1.166) 7.089 3.515 ( 2.123 -0.559 -1.981) 2.957 3.631 ( -1.403 1.123 1.589) 2.399 3.797 ( -5.315 8.680 1.109) 10.238 4.728 ( 4.091 0.323 -0.799) 4.181 4.762 ( -2.669 -2.375 2.126) 4.158 5.482 ( 2.488 -1.620 -1.719) 3.431 5.669 ( 0.991 -4.736 2.863) 5.622 7.885 ( -0.348 -1.203 0.474) 1.339 8.400 ( 1.306 -0.827 0.148) 1.553 9.123 ( -1.628 3.323 -0.744) 3.774 9.191 ( -4.002 5.770 1.092) 7.107 9.427 ( -0.453 0.894 -0.020) 1.002 9.858 ( 2.960 1.683 -4.628) 5.746 9.956 ( -3.804 -1.207 4.024) 5.668 10.378 ( 4.260 -7.022 -0.304) 8.219 10.538 ( 1.491 -1.303 0.223) 1.993 12.313 ( -5.580 10.222 0.026) 11.646 13.850 ( 1.371 -2.167 1.369) 2.907 14.626 ( 2.846 -5.490 -1.332) 6.326 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( -5.389 8.573 -1.573) 10.247 2.657 ( -9.136 6.861 1.791) 11.565 2.898 ( -1.636 1.574 2.000) 3.025 3.029 ( -6.263 -1.720 0.009) 6.495 3.471 ( -4.652 4.658 -3.434) 7.425 3.538 ( 1.931 -2.386 0.937) 3.210 3.613 ( -1.730 0.457 0.661) 1.908 3.790 ( -6.048 8.759 0.197) 10.646 4.686 ( -3.625 -3.072 3.113) 5.680 4.776 ( 1.980 -0.807 -1.481) 2.601 5.370 ( -9.319 -7.851 0.251) 12.188 5.624 ( -1.066 -5.798 0.875) 5.959 7.826 ( -3.758 -3.071 -1.185) 4.996 8.413 ( 1.216 -1.385 1.717) 2.519 9.107 ( -3.327 2.333 -0.572) 4.103 9.223 ( -0.969 8.371 0.549) 8.444 9.414 ( -1.564 0.274 0.100) 1.591 9.840 ( -6.320 -3.587 2.845) 7.805 9.907 ( 0.269 1.495 -4.833) 5.066 10.320 ( 0.172 -6.547 0.724) 6.589 10.645 ( 9.104 -0.520 0.921) 9.165 12.304 ( -6.467 8.713 0.357) 10.856 13.848 ( 0.225 -1.684 1.755) 2.443 14.598 ( 1.117 -6.378 -1.984) 6.773 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( -11.279 3.576 3.063) 12.223 2.573 ( -6.450 8.184 -4.560) 11.374 2.761 ( -14.698 -1.647 4.117) 15.352 2.977 ( 0.949 0.171 0.041) 0.965 3.408 ( -8.480 5.019 -1.139) 9.919 3.501 ( -0.939 -6.114 0.713) 6.227 3.623 ( 2.382 0.322 -0.601) 2.478 3.749 ( -8.132 6.948 -1.325) 10.777 4.582 ( -5.556 -4.699 3.873) 8.243 4.763 ( -2.957 -3.338 -2.650) 5.188 5.063 ( -13.992 -8.394 0.916) 16.342 5.500 ( -5.945 -7.929 0.369) 9.917 7.708 ( -5.242 -3.514 -2.689) 6.859 8.424 ( 1.432 -1.780 3.007) 3.777 9.054 ( -4.992 1.593 -0.751) 5.294 9.282 ( -2.726 5.138 0.514) 5.839 9.419 ( 1.672 4.467 0.591) 4.806 9.650 ( -11.379 -3.845 2.799) 12.332 9.910 ( 0.416 -0.121 -6.349) 6.363 10.306 ( 3.696 -3.177 2.318) 5.397 10.811 ( 11.512 -1.943 1.074) 11.724 12.268 ( -6.524 6.326 0.312) 9.092 13.833 ( -1.527 0.177 1.920) 2.460 14.527 ( -1.156 -7.298 -2.290) 7.736 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( -17.050 -0.014 1.697) 17.134 2.439 ( -19.907 -2.373 2.557) 20.210 2.567 ( -3.919 7.072 -4.369) 9.190 3.002 ( 0.874 0.008 2.697) 2.835 3.258 ( -12.370 0.272 3.925) 12.981 3.420 ( -2.063 -4.802 -4.326) 6.784 3.640 ( -10.206 4.155 -1.887) 11.180 3.673 ( 2.213 0.643 0.244) 2.317 4.371 ( -19.651 -10.056 6.713) 23.073 4.450 ( -14.043 -10.122 -5.865) 18.278 4.937 ( -0.357 1.207 -0.078) 1.261 5.277 ( -9.367 -8.727 0.614) 12.817 7.580 ( -5.091 -2.754 -3.736) 6.889 8.448 ( 2.705 -1.369 3.140) 4.365 8.968 ( -6.187 0.997 -1.016) 6.348 9.229 ( -5.257 0.290 0.304) 5.273 9.397 ( -11.153 -4.577 3.722) 12.617 9.578 ( 4.540 10.072 0.540) 11.062 9.894 ( 0.015 -0.830 -6.609) 6.661 10.398 ( 8.356 -0.078 3.784) 9.173 11.004 ( 13.667 -2.798 0.432) 13.958 12.212 ( -5.789 3.930 -0.049) 6.997 13.807 ( -3.671 2.731 1.789) 4.913 14.401 ( -4.207 -8.384 -1.955) 9.582 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -21.381 -2.747 1.308) 21.596 2.037 ( -24.491 -2.927 2.898) 24.835 2.569 ( -2.263 5.518 -6.075) 8.514 2.998 ( -2.540 -0.674 3.459) 4.344 3.021 ( -13.840 -4.957 5.944) 15.858 3.276 ( -11.330 -3.585 -5.254) 12.993 3.496 ( -9.720 1.843 -1.002) 9.943 3.607 ( -16.798 -6.375 0.603) 17.977 3.899 ( -9.225 -3.979 1.057) 10.102 4.170 ( -12.093 -7.923 -0.858) 14.483 4.819 ( -14.222 -4.389 -1.877) 15.002 5.164 ( 3.808 -0.822 0.883) 3.995 7.464 ( -5.057 -1.738 -3.967) 6.658 8.515 ( 5.718 0.074 1.584) 5.934 8.863 ( -6.564 0.562 -1.123) 6.683 9.132 ( -5.506 -1.001 -0.024) 5.596 9.190 ( -8.662 -3.316 4.259) 10.207 9.773 ( 6.241 8.432 1.824) 10.648 9.867 ( -0.557 -0.613 -6.741) 6.792 10.619 ( 14.777 3.480 5.624) 16.189 11.222 ( 15.637 -3.817 -1.504) 16.166 12.154 ( -4.477 2.634 -0.517) 5.220 13.766 ( -6.243 4.972 1.498) 8.120 14.207 ( -7.959 -9.470 -0.454) 12.379 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -25.357 -3.308 2.993) 25.747 1.568 ( -27.672 -3.160 4.199) 28.166 2.542 ( -8.652 1.294 -10.546) 13.702 2.665 ( -25.812 -7.499 6.311) 27.610 2.852 ( -21.873 -4.133 3.653) 22.557 2.893 ( -9.345 -1.597 -0.212) 9.483 3.203 ( -12.918 -3.731 0.653) 13.461 3.428 ( -4.547 1.728 -0.979) 4.962 3.853 ( -10.988 -2.276 -2.129) 11.421 3.943 ( 2.049 -1.544 1.281) 2.868 4.497 ( -15.679 -3.387 -2.942) 16.308 5.271 ( 6.541 0.948 -0.092) 6.610 7.355 ( -5.303 -0.535 -2.644) 5.949 8.660 ( 10.126 1.733 -1.491) 10.381 8.758 ( -5.811 0.263 -0.816) 5.874 9.032 ( -4.311 -1.539 1.083) 4.704 9.061 ( -5.090 -1.755 3.758) 6.566 9.821 ( -2.322 -0.309 -5.129) 5.638 9.958 ( 6.798 4.409 1.356) 8.215 10.996 ( 22.174 5.078 6.541) 23.670 11.449 ( 16.447 -4.363 -4.188) 17.524 12.118 ( -2.548 3.050 -1.133) 4.133 13.692 ( -9.460 6.198 2.081) 11.499 13.945 ( -11.496 -9.987 3.408) 15.604 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 0.000 25.114 9.055) 26.696 1.354 ( 0.000 24.152 17.823) 30.016 2.195 ( 0.000 44.570 7.535) 45.203 2.326 ( -0.000 5.642 -12.778) 13.969 2.673 ( -0.000 17.114 -7.477) 18.676 2.833 ( 0.000 4.919 9.092) 10.338 3.082 ( 0.000 12.503 6.613) 14.144 3.358 ( -0.000 0.867 -2.306) 2.463 3.664 ( -0.000 12.762 -3.795) 13.314 3.963 ( -0.000 1.449 -5.967) 6.140 4.262 ( -0.000 8.598 -8.485) 12.080 5.357 ( 0.000 -5.861 2.243) 6.276 7.302 ( 0.000 -1.464 4.981) 5.192 8.675 ( -0.000 3.629 -0.810) 3.718 8.726 ( -0.000 -8.210 -7.504) 11.122 8.998 ( 0.000 3.907 0.704) 3.970 9.112 ( 0.000 1.330 9.330) 9.425 9.696 ( -0.000 3.184 -8.826) 9.383 10.061 ( 0.000 -8.591 2.355) 8.907 11.380 ( 0.000 -19.490 4.572) 20.019 11.595 ( -0.000 -10.151 -11.069) 15.019 12.020 ( -0.000 1.891 -1.883) 2.669 13.563 ( 0.000 10.874 4.941) 11.944 14.030 ( 0.000 -2.279 23.266) 23.377 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 10.802 22.426 8.129) 26.185 1.685 ( 7.078 22.785 12.612) 26.987 2.396 ( 5.617 6.371 -11.505) 14.300 2.637 ( 5.264 20.886 -12.790) 25.051 2.871 ( 1.813 15.742 7.440) 17.506 2.984 ( 8.665 19.163 9.001) 22.876 3.252 ( 3.271 10.584 5.245) 12.257 3.412 ( 4.731 3.684 -1.153) 6.106 3.812 ( 4.467 10.214 -4.471) 12.011 3.954 ( -1.838 1.650 -0.024) 2.470 4.405 ( 5.486 15.867 -10.852) 19.990 5.277 ( -2.826 -6.154 2.076) 7.083 7.332 ( 2.575 1.753 0.683) 3.189 8.622 ( -1.968 -6.392 -4.314) 7.959 8.746 ( 3.576 4.540 -0.818) 5.837 9.047 ( 0.756 4.430 1.070) 4.619 9.142 ( -1.533 4.864 8.275) 9.720 9.713 ( 1.627 0.866 -10.028) 10.196 9.990 ( 0.956 -7.892 2.983) 8.491 11.084 ( -12.152 -17.762 6.355) 22.440 11.391 ( -6.287 -12.705 -5.042) 15.046 12.093 ( 4.234 1.469 -2.487) 5.125 13.758 ( 10.638 4.607 6.159) 13.127 14.020 ( -6.768 7.875 8.023) 13.122 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 10.166 17.903 7.825) 22.025 2.086 ( 10.427 22.916 5.259) 25.720 2.549 ( 8.006 4.227 -8.350) 12.316 2.779 ( 1.801 8.257 -14.558) 16.833 3.044 ( 1.631 13.559 6.586) 15.162 3.353 ( 7.112 3.522 4.617) 9.182 3.503 ( 10.931 19.951 3.163) 22.968 3.580 ( 6.357 9.512 1.295) 11.514 3.896 ( 1.173 2.319 0.932) 2.761 4.065 ( 7.637 11.969 -1.218) 14.250 4.689 ( 10.540 16.167 -7.866) 20.841 5.158 ( -4.497 -5.449 1.558) 7.234 7.421 ( 4.801 3.124 -0.665) 5.766 8.522 ( -3.036 -4.039 -0.517) 5.079 8.868 ( 4.458 5.791 -0.791) 7.351 9.119 ( 2.323 4.801 0.926) 5.413 9.213 ( 0.846 8.017 5.571) 9.799 9.719 ( 1.453 -0.706 -8.980) 9.125 9.946 ( -0.299 -4.113 2.815) 4.993 10.713 ( -13.228 -13.385 5.271) 19.542 11.141 ( -6.004 -14.615 -2.846) 16.054 12.171 ( 2.755 4.069 -1.499) 5.138 13.927 ( -0.473 2.685 4.775) 5.499 14.070 ( 5.776 7.091 1.159) 9.219 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 8.341 14.372 4.955) 17.340 2.472 ( 6.688 22.883 0.741) 23.852 2.697 ( 5.105 5.424 -2.732) 7.933 2.844 ( 1.338 5.684 -9.439) 11.099 3.220 ( 2.725 11.824 2.956) 12.489 3.483 ( 5.179 2.539 2.769) 6.398 3.676 ( -1.589 -0.474 -0.854) 1.865 3.759 ( 4.938 9.956 2.681) 11.432 4.117 ( 10.941 12.333 -3.917) 16.946 4.381 ( 14.856 12.533 4.653) 19.986 4.980 ( 2.150 8.603 -1.668) 9.023 5.071 ( 6.041 -1.060 -1.257) 6.260 7.545 ( 5.875 3.508 0.094) 6.843 8.440 ( -2.724 -2.664 1.315) 4.030 8.994 ( 3.006 6.728 -0.630) 7.396 9.224 ( 3.819 5.069 -0.421) 6.360 9.350 ( 3.586 9.394 3.475) 10.639 9.701 ( -2.225 0.597 -4.284) 4.864 9.910 ( -0.744 -1.018 -0.294) 1.294 10.429 ( -7.497 -9.911 4.670) 13.276 10.897 ( -4.588 -14.702 -2.620) 15.622 12.268 ( 2.039 7.723 -0.935) 8.042 13.905 ( -5.474 5.103 0.749) 7.521 14.253 ( 10.130 -1.306 1.558) 10.332 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 4.401 12.379 2.282) 13.335 2.737 ( 1.322 15.200 -3.286) 15.608 2.834 ( 1.318 13.428 2.403) 13.705 2.906 ( 1.564 5.455 -4.230) 7.077 3.364 ( 3.676 4.691 0.477) 5.978 3.593 ( 2.575 3.616 2.875) 5.289 3.630 ( -2.561 2.325 -0.584) 3.508 3.915 ( 0.924 10.304 1.462) 10.448 4.361 ( 9.130 5.400 -5.290) 11.854 4.749 ( 11.050 5.787 5.065) 13.463 4.970 ( 1.617 3.984 0.357) 4.315 5.311 ( 12.598 2.361 -0.847) 12.845 7.684 ( 5.879 3.458 1.591) 7.003 8.385 ( -1.257 -1.987 0.655) 2.440 9.097 ( 1.203 7.122 -0.615) 7.249 9.330 ( 2.686 4.757 -0.184) 5.467 9.478 ( -0.088 3.647 0.142) 3.651 9.666 ( -3.114 7.912 0.481) 8.516 9.921 ( 3.369 -0.733 -2.152) 4.064 10.274 ( -3.063 -6.208 3.511) 7.762 10.694 ( -1.845 -13.855 -2.145) 14.141 12.383 ( 0.288 11.590 -0.676) 11.613 13.860 ( -4.076 2.319 0.180) 4.693 14.382 ( 8.650 -5.386 0.694) 10.213 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( -1.412 11.883 0.329) 11.971 2.827 ( -0.883 6.443 -0.372) 6.514 2.965 ( -3.782 14.593 -0.356) 15.079 3.013 ( 2.460 9.444 -0.977) 9.808 3.429 ( 2.662 -2.111 0.057) 3.398 3.617 ( 1.808 -0.669 0.410) 1.971 3.688 ( -3.721 13.028 1.958) 13.690 3.995 ( -4.036 11.131 -0.035) 11.840 4.528 ( 7.213 2.495 -3.192) 8.273 4.816 ( -0.606 -1.615 3.630) 4.019 5.187 ( 11.830 4.943 -0.537) 12.832 5.496 ( 9.225 -3.090 1.621) 9.863 7.809 ( 4.329 2.573 2.644) 5.687 8.360 ( 0.485 -1.771 -0.932) 2.059 9.168 ( -0.740 6.716 -0.642) 6.787 9.399 ( -1.954 5.210 0.811) 5.623 9.428 ( -3.911 1.675 -0.032) 4.255 9.752 ( 2.086 6.248 -1.415) 6.737 9.984 ( 3.664 -0.049 0.593) 3.712 10.204 ( 0.322 -4.369 1.054) 4.505 10.558 ( 0.334 -10.445 -1.235) 10.523 12.492 ( -2.970 14.851 -0.446) 15.151 13.818 ( -1.373 -1.253 0.690) 1.982 14.450 ( 7.120 -8.036 -0.313) 10.741 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( -5.158 11.306 -0.759) 12.450 2.857 ( -2.273 5.208 1.526) 5.883 3.015 ( -6.605 13.464 -1.011) 15.031 3.112 ( 0.681 5.398 -0.739) 5.491 3.443 ( 2.695 -2.988 -0.696) 4.083 3.631 ( -1.852 1.023 2.394) 3.195 3.743 ( -5.314 13.208 0.265) 14.239 4.012 ( -6.677 11.883 -0.421) 13.637 4.645 ( 5.446 0.480 -1.393) 5.642 4.784 ( -1.930 -2.007 2.906) 4.025 5.375 ( 7.520 -0.884 -1.604) 7.740 5.568 ( 4.665 -7.286 2.977) 9.149 7.877 ( 0.887 0.468 2.372) 2.575 8.360 ( 1.707 -1.752 -1.594) 2.920 9.202 ( -2.314 5.827 -0.628) 6.301 9.354 ( -6.097 6.994 1.762) 9.444 9.446 ( -0.082 1.906 -0.068) 1.909 9.820 ( 2.064 1.264 -2.627) 3.572 10.012 ( -1.635 1.344 2.053) 2.949 10.201 ( 5.506 -7.944 -0.524) 9.680 10.496 ( 1.144 -4.277 -0.349) 4.441 12.561 ( -6.957 16.031 -0.208) 17.476 13.797 ( 1.341 -3.325 1.453) 3.868 14.471 ( 5.938 -9.668 -1.238) 11.413 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.765 ( -6.722 10.340 -1.073) 12.379 2.856 ( -4.573 4.757 2.266) 6.977 3.003 ( -7.142 9.825 -2.160) 12.338 3.137 ( -3.740 4.334 0.668) 5.763 3.468 ( 3.442 -2.422 -0.388) 4.227 3.577 ( -5.741 1.352 0.521) 5.921 3.755 ( -7.292 10.153 1.010) 12.541 4.008 ( -7.278 11.558 -0.561) 13.670 4.716 ( 1.722 -0.828 1.870) 2.673 4.723 ( -1.585 -2.537 -0.050) 2.992 5.394 ( -1.620 -6.373 -1.049) 6.659 5.544 ( 2.114 -8.930 2.377) 9.480 7.855 ( -2.879 -1.916 0.872) 3.566 8.372 ( 1.889 -1.837 -0.642) 2.712 9.203 ( -3.642 4.960 -0.552) 6.179 9.362 ( -3.310 10.100 2.220) 10.858 9.445 ( -1.456 0.854 -0.068) 1.689 9.835 ( 0.711 -2.295 -2.230) 3.278 9.979 ( -4.228 2.271 0.549) 4.830 10.201 ( 4.330 -8.971 -0.522) 9.975 10.512 ( 4.448 -2.355 0.631) 5.073 12.564 ( -9.997 13.971 -0.037) 17.179 13.807 ( 2.584 -2.253 2.074) 4.007 14.459 ( 4.735 -10.484 -1.965) 11.670 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( -9.445 6.533 0.761) 11.510 2.793 ( -7.822 5.793 -1.366) 9.829 2.984 ( -4.088 6.552 -0.220) 7.726 3.058 ( -11.811 5.655 1.456) 13.175 3.468 ( -2.272 -4.008 1.691) 4.908 3.525 ( 1.568 0.091 -2.702) 3.126 3.698 ( -9.595 7.821 1.586) 12.480 3.974 ( -8.840 8.957 -1.051) 12.629 4.623 ( -4.400 -4.914 1.630) 6.794 4.752 ( 0.877 -0.244 -0.168) 0.925 5.201 ( -10.874 -8.525 0.367) 13.823 5.473 ( -0.844 -9.565 0.839) 9.639 7.759 ( -5.075 -2.876 -0.622) 5.867 8.382 ( 1.613 -2.020 0.827) 2.714 9.171 ( -5.314 4.022 -0.477) 6.682 9.396 ( -4.236 3.235 0.004) 5.330 9.462 ( 0.752 8.604 2.681) 9.044 9.770 ( -4.800 -3.852 -0.630) 6.187 9.926 ( -3.808 1.829 -2.797) 5.067 10.194 ( 4.087 -5.460 0.180) 6.822 10.597 ( 9.158 -4.639 1.239) 10.341 12.500 ( -10.904 9.570 -0.010) 14.508 13.845 ( 1.672 1.383 2.342) 3.192 14.416 ( 2.959 -10.744 -2.342) 11.387 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( -14.691 0.205 1.258) 14.746 2.736 ( -7.180 8.263 -3.469) 11.484 2.829 ( -20.646 6.012 2.641) 21.665 3.005 ( -0.525 2.794 0.083) 2.844 3.376 ( -2.823 -6.807 1.229) 7.471 3.509 ( -7.422 3.717 -1.031) 8.364 3.644 ( -0.974 2.687 0.740) 2.952 3.874 ( -10.913 5.661 -1.040) 12.338 4.478 ( -6.269 -6.565 0.267) 9.081 4.651 ( -14.444 -6.191 0.359) 15.719 4.976 ( -4.515 -0.269 0.569) 4.559 5.322 ( -5.936 -9.508 0.246) 11.212 7.639 ( -5.464 -2.120 -1.603) 6.076 8.395 ( 2.020 -1.867 1.822) 3.300 9.099 ( -6.811 2.707 -0.436) 7.342 9.329 ( -5.375 0.773 -0.592) 5.462 9.537 ( -6.310 -0.037 4.647) 7.837 9.659 ( -2.063 7.898 -0.681) 8.191 9.878 ( -1.497 -0.450 -5.197) 5.427 10.250 ( 7.276 -2.935 1.648) 8.017 10.736 ( 12.539 -5.262 0.918) 13.630 12.392 ( -9.813 5.096 -0.131) 11.058 13.893 ( -0.769 5.234 2.176) 5.720 14.335 ( 0.255 -10.503 -2.128) 10.720 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -18.670 -1.220 1.661) 18.783 2.480 ( -25.307 2.688 1.671) 25.504 2.688 ( -5.754 5.457 -3.312) 8.594 3.016 ( -0.510 0.434 -2.366) 2.459 3.211 ( -10.693 -5.111 4.252) 12.591 3.397 ( -7.495 2.103 -1.083) 7.859 3.680 ( 0.978 0.722 0.333) 1.260 3.718 ( -11.650 2.834 -0.309) 11.993 4.199 ( -26.323 -6.481 -0.275) 27.111 4.288 ( -9.849 -4.681 1.137) 10.964 4.986 ( -3.807 4.101 -1.205) 5.724 5.112 ( -4.479 -7.601 0.303) 8.828 7.532 ( -5.090 -0.505 -2.057) 5.513 8.431 ( 3.745 -1.166 1.844) 4.334 8.995 ( -7.460 1.329 -0.429) 7.590 9.232 ( -6.310 0.471 -1.205) 6.442 9.339 ( -11.344 -2.896 3.172) 12.130 9.789 ( 2.957 8.532 2.447) 9.355 9.844 ( 0.072 -1.408 -6.264) 6.421 10.401 ( 12.475 -0.985 2.854) 12.835 10.922 ( 14.356 -3.731 -0.087) 14.833 12.277 ( -7.399 2.019 -0.322) 7.677 13.920 ( -3.743 6.451 1.671) 7.644 14.209 ( -3.485 -8.598 -1.019) 9.333 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -22.268 -0.028 3.544) 22.548 2.038 ( -27.508 -0.756 1.909) 27.584 2.638 ( -3.776 2.790 -4.355) 6.404 2.924 ( -11.719 -3.726 -4.101) 12.963 2.984 ( -8.595 -1.452 -0.308) 8.722 3.277 ( -12.242 2.602 5.138) 13.529 3.477 ( -23.185 -0.246 0.891) 23.203 3.571 ( -11.489 0.378 0.243) 11.498 3.878 ( -1.359 -0.026 1.164) 1.790 4.073 ( -12.652 0.224 -0.176) 12.655 4.762 ( -17.122 0.370 -2.868) 17.364 5.155 ( 6.876 -0.391 -0.400) 6.899 7.444 ( -5.195 1.221 -1.742) 5.614 8.516 ( 6.984 -0.373 0.716) 7.030 8.875 ( -7.228 0.375 -0.236) 7.242 9.122 ( -6.727 0.640 -1.587) 6.941 9.156 ( -7.667 -1.977 3.386) 8.612 9.824 ( 0.595 -0.607 -6.365) 6.421 9.904 ( 3.421 2.052 3.511) 5.314 10.661 ( 18.180 -2.134 2.269) 18.445 11.158 ( 15.627 0.828 -0.283) 15.651 12.186 ( -4.392 0.148 -0.578) 4.432 13.877 ( -5.915 -0.602 2.215) 6.345 14.059 ( -8.610 0.468 0.439) 8.634 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 0.000 21.823 7.872) 23.200 1.881 ( 0.000 22.455 12.750) 25.822 2.357 ( -0.000 2.741 -9.842) 10.216 2.741 ( -0.000 12.602 -19.992) 23.632 3.000 ( 0.000 7.837 5.357) 9.493 3.143 ( 0.000 25.911 13.165) 29.064 3.377 ( -0.000 2.383 -1.957) 3.084 3.409 ( 0.000 19.755 5.503) 20.507 3.853 ( -0.000 6.125 -2.805) 6.737 4.027 ( -0.000 9.910 -1.067) 9.967 4.511 ( -0.000 19.224 -10.411) 21.862 5.249 ( 0.000 -5.474 2.624) 6.071 7.334 ( -0.000 3.364 -0.195) 3.370 8.580 ( -0.000 -3.716 -3.145) 4.868 8.755 ( -0.000 4.751 -0.858) 4.828 9.089 ( 0.000 4.917 0.839) 4.988 9.231 ( 0.000 6.016 9.608) 11.336 9.688 ( -0.000 0.906 -11.117) 11.154 9.876 ( 0.000 -11.065 2.706) 11.391 10.992 ( 0.000 -20.673 9.658) 22.817 11.370 ( -0.000 -9.211 -7.269) 11.734 12.055 ( -0.000 2.488 -2.116) 3.266 13.721 ( 0.000 3.726 5.737) 6.841 14.173 ( 0.000 8.563 4.401) 9.627 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 8.480 18.849 7.177) 21.879 2.165 ( 5.655 20.764 8.552) 23.157 2.431 ( 7.386 3.009 -7.092) 10.672 2.794 ( 0.828 6.298 -17.571) 18.684 3.135 ( 4.817 9.629 3.451) 11.306 3.332 ( -0.300 6.540 5.171) 8.343 3.502 ( 8.040 8.876 2.836) 12.307 3.629 ( 1.674 13.746 1.303) 13.909 3.941 ( 1.258 13.371 1.890) 13.563 4.147 ( 0.242 15.595 -1.535) 15.672 4.715 ( 4.317 17.226 -7.616) 19.323 5.186 ( -3.016 -2.629 2.307) 4.618 7.396 ( 2.424 4.807 -0.360) 5.396 8.533 ( -1.928 -1.968 -0.929) 2.907 8.840 ( 4.192 5.234 -0.929) 6.769 9.147 ( 0.709 5.046 1.147) 5.223 9.310 ( -0.670 8.396 7.944) 11.578 9.676 ( 0.782 0.599 -10.924) 10.969 9.823 ( 5.203 -10.242 2.988) 11.870 10.760 ( -7.348 -16.479 7.002) 19.354 11.167 ( -9.526 -9.029 -4.496) 13.874 12.128 ( 5.048 2.956 -1.804) 6.122 13.827 ( 6.940 1.267 3.707) 7.969 14.220 ( -4.980 9.206 1.661) 10.598 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 7.015 15.273 6.017) 17.852 2.525 ( 12.200 17.398 1.850) 21.330 2.612 ( 8.461 6.837 -3.137) 11.321 2.839 ( 2.818 4.204 -11.958) 12.985 3.330 ( 0.747 11.870 5.636) 13.162 3.401 ( 6.472 1.558 0.309) 6.664 3.685 ( -0.231 -0.607 -0.693) 0.950 3.736 ( 8.287 7.909 2.507) 11.727 4.137 ( 2.015 15.554 -4.317) 16.267 4.374 ( 5.689 19.792 5.152) 21.228 4.933 ( 7.347 7.069 -3.405) 10.749 5.121 ( -5.296 4.863 0.893) 7.245 7.504 ( 4.081 5.543 0.517) 6.903 8.469 ( -3.121 -1.985 0.845) 3.794 8.980 ( 5.575 5.795 -0.887) 8.090 9.222 ( 2.083 5.192 0.520) 5.618 9.422 ( 1.022 10.394 4.918) 11.544 9.683 ( 1.773 1.015 -8.334) 8.581 9.842 ( 5.694 -7.201 2.421) 9.494 10.481 ( -9.389 -11.566 4.460) 15.551 10.896 ( -9.989 -9.584 -2.992) 14.163 12.263 ( 5.995 5.694 -0.985) 8.326 13.951 ( 5.415 -0.731 1.026) 5.560 14.212 ( -4.560 6.229 1.282) 7.826 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 5.793 12.378 3.524) 14.114 2.771 ( 5.311 3.775 -2.556) 6.999 2.904 ( 7.848 17.817 -0.966) 19.493 2.945 ( 5.956 8.924 -5.190) 11.918 3.380 ( -1.481 2.523 4.919) 5.723 3.559 ( 3.117 1.509 0.149) 3.466 3.696 ( 2.612 6.149 0.047) 6.682 3.951 ( 6.381 8.615 0.790) 10.750 4.292 ( 4.426 8.407 -5.024) 10.748 4.682 ( 7.451 13.397 4.981) 16.118 5.010 ( 0.198 -0.185 0.834) 0.877 5.187 ( 3.792 8.589 -0.967) 9.439 7.640 ( 4.828 5.699 2.021) 7.738 8.398 ( -2.675 -2.442 0.579) 3.668 9.125 ( 4.098 6.557 -0.503) 7.748 9.317 ( 3.191 4.404 -0.604) 5.472 9.530 ( -0.361 6.663 0.796) 6.720 9.739 ( 3.207 4.853 -1.830) 6.098 9.863 ( 1.914 -2.998 -0.411) 3.581 10.276 ( -3.830 -7.204 3.786) 8.995 10.637 ( -7.824 -10.522 -2.650) 13.377 12.438 ( 5.696 9.670 -0.412) 11.231 13.970 ( -3.383 1.124 -0.844) 3.663 14.217 ( 2.662 -2.442 1.615) 3.957 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 3.001 9.838 1.141) 10.349 2.863 ( 2.888 2.909 0.230) 4.106 3.070 ( 1.124 11.126 -2.576) 11.476 3.208 ( 2.100 18.311 -3.188) 18.705 3.377 ( -0.290 -1.573 3.909) 4.223 3.571 ( 2.266 -1.186 0.545) 2.615 3.854 ( 1.346 13.281 0.905) 13.380 4.112 ( 2.152 8.945 -0.448) 9.211 4.441 ( 6.129 4.923 -3.378) 8.556 4.832 ( -0.029 2.034 4.042) 4.525 5.084 ( 5.516 6.045 -0.134) 8.184 5.320 ( 6.966 -1.520 1.163) 7.224 7.780 ( 4.221 5.176 3.584) 7.580 8.338 ( -1.038 -2.857 -1.304) 3.308 9.238 ( 1.227 7.117 -0.308) 7.229 9.403 ( 2.703 2.716 -0.845) 3.924 9.540 ( -3.378 3.218 -0.404) 4.683 9.821 ( -2.702 4.968 0.482) 5.676 9.882 ( 6.056 -1.586 -0.082) 6.261 10.223 ( -1.478 0.647 2.085) 2.637 10.432 ( -1.282 -11.684 -2.395) 11.996 12.636 ( 3.570 13.961 -0.127) 14.411 13.884 ( -6.455 0.137 -0.282) 6.463 14.241 ( 6.031 -8.881 0.446) 10.745 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( -0.928 5.675 -1.375) 5.913 2.951 ( 1.291 5.627 3.717) 6.867 3.168 ( -1.455 10.180 -2.123) 10.500 3.299 ( -6.660 12.038 -3.751) 14.260 3.367 ( 1.867 -3.829 1.922) 4.673 3.658 ( 2.786 6.507 1.440) 7.223 3.973 ( -3.748 14.265 1.245) 14.802 4.201 ( -1.788 8.923 -0.842) 9.140 4.569 ( 4.685 3.366 -2.434) 6.261 4.819 ( -2.938 0.723 3.800) 4.858 5.232 ( 7.073 -0.118 -0.921) 7.133 5.392 ( 6.692 -8.253 2.294) 10.870 7.883 ( 1.356 3.413 4.348) 5.691 8.305 ( 1.214 -2.935 -3.112) 4.447 9.301 ( -1.693 6.764 -0.434) 6.986 9.450 ( 0.536 1.142 -0.127) 1.268 9.514 ( -3.481 5.162 0.597) 6.255 9.809 ( -0.442 -0.329 -0.184) 0.581 9.979 ( 5.724 -1.105 1.657) 6.061 10.151 ( -6.025 -1.221 -1.731) 6.386 10.401 ( 5.099 -4.171 -0.556) 6.612 12.813 ( -1.700 17.440 -0.119) 17.523 13.779 ( -3.553 -2.858 0.970) 4.662 14.246 ( 6.778 -12.162 -0.835) 13.948 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.890 ( -2.351 4.076 -1.489) 4.935 3.005 ( -3.420 6.235 4.668) 8.506 3.201 ( -2.721 4.779 -3.864) 6.721 3.273 ( -7.293 10.465 -1.664) 12.864 3.382 ( 3.450 -2.644 0.644) 4.394 3.718 ( -5.246 6.932 1.255) 8.784 4.012 ( -7.833 13.146 1.181) 15.348 4.228 ( -5.074 9.001 -0.797) 10.364 4.662 ( 3.372 2.583 -1.620) 4.546 4.767 ( -4.157 -0.585 3.298) 5.338 5.302 ( 4.477 -5.709 -1.433) 7.395 5.395 ( 4.282 -11.036 2.746) 12.152 7.898 ( -2.751 0.366 3.116) 4.173 8.310 ( 2.737 -2.070 -2.717) 4.377 9.318 ( -3.375 5.947 -0.514) 6.857 9.460 ( -0.359 1.378 0.927) 1.700 9.525 ( -2.820 6.962 1.024) 7.580 9.799 ( 0.498 -2.369 0.450) 2.463 10.023 ( 1.071 -8.532 -1.522) 8.732 10.077 ( 0.416 4.399 -0.451) 4.442 10.438 ( 2.191 -2.165 -0.063) 3.081 12.889 ( -9.590 16.397 -0.300) 18.998 13.740 ( 2.325 -2.373 2.155) 3.960 14.233 ( 6.962 -13.451 -1.808) 15.253 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( -2.708 2.928 -1.367) 4.216 2.956 ( -8.669 3.081 2.645) 9.573 3.180 ( -5.925 8.010 -1.917) 10.146 3.252 ( -4.365 5.495 -1.631) 7.205 3.432 ( 4.030 -0.961 0.908) 4.241 3.611 ( -12.205 2.048 1.092) 12.424 3.973 ( -10.426 9.939 1.087) 14.445 4.200 ( -7.641 7.391 -0.650) 10.650 4.645 ( -3.976 -4.876 -1.420) 6.450 4.758 ( 0.304 4.622 2.485) 5.256 5.250 ( -3.298 -6.713 -0.805) 7.522 5.351 ( 3.137 -10.923 1.991) 11.538 7.825 ( -5.135 -1.443 1.344) 5.501 8.333 ( 2.249 -1.364 -1.038) 2.828 9.302 ( -4.802 4.762 -0.346) 6.772 9.456 ( -1.628 0.240 -0.210) 1.659 9.575 ( -0.974 9.390 3.051) 9.921 9.766 ( -1.218 -3.574 -1.213) 3.966 9.956 ( 0.975 -6.470 -0.437) 6.558 10.140 ( 0.118 5.309 -1.722) 5.583 10.438 ( 3.226 -5.618 0.802) 6.528 12.810 ( -13.927 9.780 -0.237) 17.020 13.816 ( 4.703 3.115 2.535) 6.184 14.212 ( 6.374 -13.054 -2.282) 14.705 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( -12.210 0.458 0.819) 12.246 2.867 ( -2.955 2.083 -1.379) 3.869 3.128 ( -8.369 5.908 -0.627) 10.263 3.210 ( -10.390 7.857 -1.637) 13.129 3.381 ( -9.145 -6.110 3.029) 11.408 3.503 ( 4.039 -0.583 -0.004) 4.081 3.854 ( -12.306 5.125 0.673) 13.348 4.105 ( -10.171 4.278 -0.450) 11.044 4.513 ( -4.958 -4.682 -1.386) 6.959 4.778 ( -3.975 1.415 1.521) 4.485 5.086 ( -8.488 -2.332 0.180) 8.804 5.291 ( -0.224 -7.437 0.891) 7.494 7.719 ( -5.774 -1.045 0.466) 5.887 8.353 ( 1.621 -0.970 0.234) 1.903 9.240 ( -6.558 2.411 -0.117) 6.988 9.411 ( -3.646 0.381 -0.726) 3.737 9.647 ( -4.395 2.135 4.861) 6.892 9.709 ( 1.539 2.372 -3.908) 4.823 9.914 ( -1.334 -2.827 -0.169) 3.131 10.164 ( -0.577 2.693 -1.085) 2.960 10.492 ( 9.982 -5.289 0.713) 11.319 12.636 ( -13.475 3.733 -0.100) 13.983 13.938 ( 2.614 6.163 1.803) 6.933 14.185 ( 4.572 -10.043 -1.715) 11.167 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( -15.535 -0.231 1.203) 15.584 2.817 ( -5.170 0.947 -1.256) 5.404 2.915 ( -22.859 -0.220 -0.343) 22.863 3.045 ( -4.956 -0.814 -3.260) 5.988 3.289 ( -2.260 -0.498 2.980) 3.773 3.538 ( -2.774 0.595 0.929) 2.985 3.693 ( -6.205 -0.289 0.121) 6.213 3.940 ( -11.639 0.471 0.268) 11.651 4.385 ( -7.133 -0.228 -2.988) 7.737 4.588 ( -18.485 -0.007 3.026) 18.731 5.003 ( -0.093 -0.215 0.012) 0.235 5.197 ( -6.650 -0.036 -0.098) 6.650 7.620 ( -5.426 0.597 0.193) 5.463 8.376 ( 2.064 -0.527 0.824) 2.284 9.130 ( -7.455 0.070 -0.073) 7.456 9.336 ( -5.404 0.442 -0.812) 5.482 9.511 ( -9.648 -1.578 0.700) 9.801 9.786 ( 1.869 -0.860 -1.745) 2.698 9.861 ( -1.875 2.430 0.406) 3.096 10.224 ( 6.912 -0.204 1.135) 7.008 10.665 ( 13.121 -0.529 -0.423) 13.138 12.444 ( -10.852 0.045 -0.128) 10.853 13.989 ( -0.408 -1.786 -0.625) 1.936 14.186 ( 0.952 1.793 0.941) 2.237 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -18.287 0.848 2.529) 18.480 2.467 ( -25.043 -4.220 -0.235) 25.397 2.715 ( -5.449 -2.435 0.394) 5.982 2.964 ( -2.272 -1.990 -8.190) 8.730 3.195 ( -11.588 1.397 0.897) 11.706 3.434 ( -5.968 1.068 4.070) 7.302 3.680 ( 1.288 -0.805 0.118) 1.523 3.731 ( -11.778 -1.907 1.564) 12.034 4.167 ( -22.100 4.212 -3.673) 22.796 4.318 ( -13.713 6.457 4.408) 15.785 4.990 ( -3.331 -4.197 -0.276) 5.366 5.099 ( -5.216 7.502 -1.950) 9.343 7.547 ( -4.998 2.380 0.167) 5.538 8.423 ( 3.808 -0.247 0.686) 3.877 8.998 ( -7.306 -0.932 0.011) 7.366 9.237 ( -6.220 0.142 -0.827) 6.277 9.320 ( -11.443 0.460 0.680) 11.473 9.751 ( 2.145 -6.422 -3.300) 7.532 9.901 ( 0.663 2.183 2.223) 3.186 10.388 ( 11.857 -0.930 1.164) 11.950 10.918 ( 14.922 3.500 -0.748) 15.345 12.277 ( -7.398 -1.961 -0.364) 7.662 13.904 ( -3.141 -7.184 -0.613) 7.864 14.229 ( -3.892 9.356 1.898) 10.310 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 0.000 17.219 6.546) 18.421 2.346 ( 0.000 19.861 8.868) 21.751 2.362 ( -0.000 1.601 -5.292) 5.529 2.797 ( -0.000 3.635 -16.969) 17.354 3.146 ( -0.000 5.290 -0.793) 5.349 3.451 ( 0.000 5.674 0.471) 5.693 3.496 ( 0.000 8.808 7.965) 11.875 3.698 ( 0.000 2.447 0.258) 2.461 4.126 ( -0.000 21.744 -1.051) 21.769 4.319 ( 0.000 20.035 1.976) 20.132 4.815 ( -0.000 11.732 -4.854) 12.696 5.224 ( 0.000 4.517 1.365) 4.719 7.432 ( 0.000 6.549 0.298) 6.556 8.539 ( -0.000 -0.458 -0.902) 1.012 8.849 ( -0.000 5.044 -0.706) 5.094 9.192 ( 0.000 4.976 0.946) 5.065 9.424 ( 0.000 9.356 9.044) 13.012 9.655 ( -0.000 1.217 -10.993) 11.060 9.661 ( 0.000 -11.678 2.473) 11.937 10.684 ( 0.000 -14.026 5.619) 15.110 11.163 ( -0.000 -9.412 -3.661) 10.099 12.098 ( -0.000 2.741 -1.999) 3.393 13.797 ( 0.000 2.665 2.565) 3.699 14.353 ( 0.000 7.900 1.133) 7.981 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 8.067 13.622 4.393) 16.430 2.435 ( 6.775 4.107 -1.848) 8.135 2.600 ( 6.182 16.227 4.609) 17.966 2.803 ( 1.428 2.457 -11.814) 12.151 3.263 ( 8.510 3.743 -2.628) 9.661 3.476 ( -2.812 6.714 4.243) 8.426 3.649 ( 5.479 2.956 -0.070) 6.226 3.708 ( 1.022 1.843 3.794) 4.340 4.286 ( -1.552 14.981 -6.164) 16.273 4.556 ( 0.732 22.866 6.162) 23.693 4.904 ( 2.057 4.038 -1.574) 4.797 5.281 ( -3.144 11.849 -0.186) 12.261 7.520 ( 1.850 7.596 1.248) 7.917 8.507 ( -2.737 -1.105 -0.314) 2.968 8.938 ( 4.511 4.917 -0.726) 6.712 9.250 ( 0.907 4.777 0.998) 4.963 9.527 ( -0.013 8.652 4.826) 9.907 9.629 ( 5.601 -7.010 2.204) 9.240 9.660 ( 2.590 0.713 -7.081) 7.573 10.517 ( -6.062 -10.568 3.446) 12.661 10.979 ( -8.877 -8.584 -2.774) 12.656 12.187 ( 6.889 3.540 -1.445) 7.879 13.861 ( 3.713 1.242 1.129) 4.075 14.381 ( -5.115 6.483 0.894) 8.306 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 6.213 9.667 2.714) 11.808 2.661 ( 11.523 6.208 -0.363) 13.094 2.845 ( 7.906 2.443 -7.487) 11.159 2.908 ( 8.157 13.140 1.598) 15.549 3.425 ( 3.561 1.986 0.632) 4.126 3.532 ( 1.994 4.626 1.569) 5.277 3.675 ( 2.636 1.852 0.649) 3.286 3.880 ( 9.433 5.517 1.620) 11.047 4.365 ( -1.969 10.852 -5.479) 12.315 4.767 ( 1.042 12.104 5.298) 13.253 4.978 ( 2.364 5.543 -0.385) 6.038 5.333 ( -5.089 12.124 -0.074) 13.149 7.644 ( 3.089 7.809 2.462) 8.751 8.430 ( -3.796 -2.470 -0.355) 4.543 9.081 ( 6.508 4.589 -0.620) 7.987 9.321 ( 1.745 4.587 0.320) 4.917 9.589 ( 1.227 0.926 -3.373) 3.707 9.705 ( 3.845 1.654 6.141) 7.432 9.745 ( 7.168 2.909 -3.355) 8.432 10.309 ( -7.698 -7.501 2.309) 10.993 10.721 ( -10.906 -7.223 -2.384) 13.296 12.379 ( 9.908 6.213 -0.648) 11.712 13.926 ( 3.578 -1.708 -0.398) 3.984 14.317 ( -8.347 3.937 1.226) 9.310 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 5.812 4.498 -0.051) 7.349 2.844 ( 3.114 7.589 1.595) 8.357 3.051 ( 11.576 5.771 -3.059) 13.291 3.181 ( 9.628 6.355 -1.058) 11.584 3.463 ( -2.029 5.854 1.913) 6.484 3.539 ( 0.102 -0.825 0.831) 1.176 3.870 ( 9.431 8.592 0.419) 12.765 4.099 ( 8.508 6.178 -0.072) 10.515 4.427 ( 0.478 7.281 -3.168) 7.955 4.854 ( 1.489 1.574 3.346) 3.986 5.089 ( 1.605 8.191 -0.197) 8.349 5.334 ( -5.574 6.115 1.059) 8.341 7.784 ( 3.553 7.407 3.856) 9.075 8.338 ( -3.062 -3.506 -1.726) 4.964 9.234 ( 6.036 4.387 -0.282) 7.467 9.391 ( 1.537 3.402 -0.431) 3.758 9.599 ( -0.135 0.925 -2.731) 2.886 9.781 ( 3.629 -1.014 2.426) 4.481 9.894 ( 2.171 6.102 -0.174) 6.479 10.172 ( 0.998 -5.256 2.176) 5.776 10.470 ( -10.572 -4.807 -2.451) 11.869 12.633 ( 10.419 9.922 -0.071) 14.388 13.936 ( 0.770 -3.593 -1.729) 4.061 14.190 ( -8.138 -0.992 1.840) 8.402 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.914 ( 3.416 2.710 0.755) 4.426 2.964 ( 1.945 7.017 0.569) 7.304 3.249 ( 3.351 6.891 -2.389) 8.026 3.292 ( 2.828 -2.801 1.176) 4.150 3.448 ( -2.210 1.610 -0.934) 2.889 3.674 ( 6.270 11.597 1.031) 13.224 4.094 ( 5.639 9.911 0.723) 11.426 4.254 ( 2.143 6.077 -1.558) 6.630 4.527 ( 4.596 4.712 -1.056) 6.667 4.894 ( 0.260 2.526 2.471) 3.544 5.165 ( 1.254 1.779 -0.316) 2.200 5.273 ( -3.120 -3.167 1.529) 4.701 7.915 ( 2.087 6.417 5.340) 8.605 8.256 ( -0.938 -4.350 -3.960) 5.957 9.360 ( 3.070 4.864 0.077) 5.752 9.435 ( 1.174 1.355 -0.773) 1.952 9.594 ( -1.437 2.022 -0.666) 2.568 9.798 ( -0.303 -1.666 -2.260) 2.824 9.934 ( 0.367 1.773 6.121) 6.383 10.213 ( 2.104 -8.923 -3.053) 9.662 10.304 ( -2.221 5.491 -0.446) 5.940 12.916 ( 8.384 13.948 0.218) 16.275 13.863 ( -5.894 -1.990 -1.323) 6.360 14.055 ( -1.080 -9.534 1.130) 9.662 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.968 ( -1.824 4.426 -0.337) 4.798 3.056 ( 3.271 3.032 2.357) 5.045 3.262 ( -4.058 -0.033 -3.248) 5.198 3.308 ( 2.959 -1.821 1.219) 3.682 3.461 ( -2.529 6.933 -0.519) 7.398 3.851 ( 0.472 9.150 0.273) 9.166 4.244 ( -2.921 12.097 -0.002) 12.445 4.306 ( 1.387 2.281 0.136) 2.672 4.647 ( 3.634 5.114 -1.567) 6.466 4.898 ( -6.505 6.094 2.676) 9.307 5.166 ( 2.430 -7.207 0.297) 7.612 5.211 ( 3.979 -9.311 0.546) 10.140 7.973 ( -2.964 2.989 5.040) 6.567 8.226 ( 3.239 -2.843 -4.466) 6.207 9.419 ( -1.730 4.862 -0.302) 5.170 9.464 ( 1.205 0.341 0.225) 1.273 9.603 ( -0.340 3.637 -0.489) 3.686 9.764 ( 0.233 -3.349 0.751) 3.440 9.958 ( -0.914 -2.219 3.158) 3.966 10.114 ( -1.058 -0.724 -3.514) 3.741 10.390 ( 2.810 1.816 -0.197) 3.351 13.156 ( -0.161 16.685 -0.080) 16.686 13.728 ( -4.621 -2.330 1.268) 5.328 13.978 ( 5.248 -13.904 -1.151) 14.906 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( -3.436 2.048 -0.318) 4.013 3.123 ( -5.498 3.753 3.626) 7.581 3.180 ( 2.417 -2.582 -4.110) 5.422 3.357 ( 3.885 -0.755 0.536) 3.994 3.445 ( -7.039 5.705 -0.214) 9.063 3.847 ( -8.828 3.978 0.343) 9.689 4.216 ( -8.105 5.334 -0.445) 9.713 4.349 ( -2.651 4.215 1.026) 5.084 4.680 ( -4.479 -0.567 -2.131) 4.992 4.860 ( -4.078 8.195 2.263) 9.430 5.137 ( 5.545 -10.140 0.083) 11.558 5.216 ( 3.659 -5.764 0.808) 6.875 7.912 ( -5.464 -0.435 2.302) 5.945 8.271 ( 3.686 -0.364 -1.931) 4.177 9.415 ( -3.374 3.393 -0.263) 4.793 9.472 ( -0.418 -0.046 0.166) 0.452 9.645 ( 0.646 4.260 -1.267) 4.491 9.754 ( 1.333 -2.814 3.759) 4.881 9.878 ( -2.492 -4.306 -1.400) 5.168 10.163 ( 3.767 3.635 -1.226) 5.377 10.398 ( -2.060 -1.641 -0.017) 2.634 13.147 ( -14.604 8.120 -0.278) 16.712 13.767 ( 6.424 5.315 2.525) 8.712 13.949 ( 7.565 -13.629 -2.233) 15.747 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( -2.763 0.469 -0.094) 2.804 2.981 ( -9.620 -1.019 -0.912) 9.717 3.250 ( 3.158 1.202 1.090) 3.551 3.321 ( -9.204 -0.167 -1.838) 9.387 3.429 ( 3.602 0.024 1.362) 3.851 3.641 ( -16.559 -0.300 0.768) 16.579 4.082 ( -10.933 -0.199 0.111) 10.935 4.281 ( -7.419 -0.341 -0.333) 7.435 4.572 ( -5.338 0.730 -1.079) 5.494 4.845 ( -3.058 -1.009 0.580) 3.272 5.178 ( -1.252 1.551 -1.150) 2.301 5.206 ( 3.380 -1.616 2.557) 4.536 7.813 ( -5.680 -0.346 1.448) 5.872 8.318 ( 2.122 0.329 -0.642) 2.241 9.358 ( -5.430 0.061 0.067) 5.430 9.456 ( -1.490 0.192 -0.411) 1.558 9.669 ( -0.115 -3.055 -5.060) 5.912 9.751 ( -1.345 2.447 6.610) 7.175 9.852 ( 2.654 -0.082 -0.915) 2.809 10.284 ( -0.479 8.463 -1.866) 8.680 10.303 ( 1.480 -8.088 0.861) 8.267 12.911 ( -16.016 0.130 0.084) 16.016 13.913 ( 4.280 -3.764 -1.487) 5.891 14.011 ( 8.926 3.627 1.388) 9.734 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( -11.987 -1.182 0.011) 12.045 2.872 ( -2.403 -0.977 -0.487) 2.639 3.116 ( -8.788 -5.610 -1.910) 10.600 3.236 ( -14.608 -10.174 1.621) 17.875 3.345 ( -3.876 6.284 -1.911) 7.627 3.527 ( 2.396 2.060 3.038) 4.383 3.847 ( -12.259 -5.783 -0.252) 13.557 4.111 ( -9.845 -3.483 0.446) 10.452 4.507 ( -5.569 4.205 -2.207) 7.319 4.774 ( -3.245 -1.779 1.076) 3.854 5.085 ( -8.723 2.125 0.031) 8.978 5.293 ( -0.225 7.127 1.045) 7.207 7.726 ( -5.416 1.304 1.524) 5.775 8.350 ( 1.321 0.645 -0.184) 1.482 9.241 ( -6.575 -2.268 0.017) 6.955 9.416 ( -3.602 0.078 -0.169) 3.607 9.585 ( -2.266 -4.995 -4.063) 6.826 9.766 ( -1.411 -1.215 4.171) 4.568 9.906 ( -0.035 3.879 -1.240) 4.072 10.183 ( -1.516 -2.018 1.730) 3.060 10.476 ( 10.325 4.518 -1.710) 11.399 12.637 ( -13.547 -3.688 0.024) 14.040 13.910 ( 2.842 -6.811 -2.155) 7.688 14.213 ( 4.466 10.660 2.169) 11.760 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( -14.112 -1.197 0.887) 14.191 2.766 ( -8.557 -5.490 -0.171) 10.168 2.809 ( -18.706 -8.631 0.517) 20.608 2.966 ( -2.469 -2.133 -4.644) 5.675 3.366 ( -4.369 4.917 -0.555) 6.601 3.544 ( -6.368 -2.541 3.807) 7.843 3.638 ( -0.068 -2.400 -0.373) 2.430 3.893 ( -10.529 -5.080 1.755) 11.821 4.434 ( -8.097 5.390 -5.295) 11.075 4.684 ( -12.073 6.859 4.407) 14.567 4.969 ( -4.525 -0.080 -0.339) 4.538 5.319 ( -6.507 9.442 -0.332) 11.472 7.662 ( -5.029 3.033 1.725) 6.121 8.381 ( 1.673 0.702 -0.275) 1.835 9.102 ( -6.710 -2.450 -0.041) 7.143 9.333 ( -5.435 -0.854 -0.057) 5.502 9.491 ( -4.743 -1.228 -2.217) 5.378 9.663 ( -4.284 -7.167 0.057) 8.350 9.926 ( -0.385 2.404 1.651) 2.942 10.243 ( 6.322 1.581 0.935) 6.583 10.719 ( 12.897 5.109 -1.585) 13.962 12.390 ( -9.886 -5.245 -0.361) 11.198 13.868 ( -0.431 -5.168 -1.391) 5.369 14.364 ( 0.168 10.551 2.004) 10.741 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -0.000 2.161 -3.517) 4.128 2.479 ( 0.000 11.436 6.780) 13.295 2.692 ( -0.000 8.764 -6.130) 10.695 2.820 ( 0.000 8.559 1.034) 8.622 3.205 ( -0.000 2.406 -4.047) 4.709 3.586 ( 0.000 6.719 1.580) 6.902 3.604 ( 0.000 0.606 0.453) 0.757 3.719 ( 0.000 0.270 4.618) 4.626 4.422 ( -0.000 12.150 -6.413) 13.738 4.762 ( 0.000 13.386 6.184) 14.746 4.945 ( -0.000 10.368 -0.977) 10.414 5.438 ( 0.000 13.742 -0.350) 13.746 7.590 ( 0.000 8.765 1.955) 8.980 8.522 ( -0.000 -1.212 -1.382) 1.838 8.941 ( -0.000 4.396 -0.441) 4.418 9.286 ( 0.000 3.660 1.519) 3.963 9.452 ( 0.000 -9.816 1.213) 9.890 9.651 ( -0.000 2.707 -7.934) 8.383 9.668 ( 0.000 11.297 7.171) 13.381 10.484 ( 0.000 -8.055 1.779) 8.249 10.967 ( -0.000 -9.237 -2.115) 9.476 12.143 ( -0.000 2.573 -1.596) 3.028 13.857 ( 0.000 2.704 0.694) 2.791 14.486 ( 0.000 5.248 0.796) 5.309 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 11.456 1.952 -1.709) 11.746 2.651 ( 5.255 9.655 4.430) 11.851 2.739 ( 3.839 0.938 -8.369) 9.255 2.953 ( 1.254 11.711 4.370) 12.563 3.311 ( 9.461 3.311 -2.227) 10.268 3.576 ( -1.723 0.885 0.639) 2.040 3.669 ( 0.669 2.048 0.971) 2.363 3.779 ( 6.557 1.988 2.709) 7.367 4.498 ( -2.106 9.815 -5.141) 11.278 4.828 ( 0.017 0.914 4.164) 4.263 5.092 ( -0.739 17.083 -0.150) 17.100 5.535 ( -3.796 11.919 0.204) 12.511 7.695 ( 1.363 8.775 2.622) 9.259 8.469 ( -3.473 -2.379 -1.644) 4.520 9.021 ( 4.495 3.678 -0.400) 5.822 9.334 ( 1.803 2.645 1.592) 3.575 9.432 ( 6.631 -7.335 -0.371) 9.895 9.674 ( 1.342 2.776 -5.014) 5.886 9.796 ( 0.412 10.873 5.565) 12.221 10.370 ( -5.671 -5.309 0.608) 7.792 10.804 ( -7.337 -8.197 -1.864) 11.158 12.248 ( 9.118 3.115 -1.047) 9.692 13.888 ( 0.612 1.306 -0.047) 1.443 14.485 ( -5.554 3.790 0.918) 6.786 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 10.661 3.011 0.887) 11.114 2.813 ( 11.363 2.085 -4.908) 12.552 2.876 ( 7.013 5.960 3.344) 9.793 3.094 ( 5.263 4.866 -0.980) 7.234 3.502 ( 3.979 4.372 -0.015) 5.911 3.550 ( -0.591 0.544 1.322) 1.546 3.754 ( 8.932 3.318 0.513) 9.542 3.963 ( 11.103 2.561 0.555) 11.408 4.529 ( -3.004 7.749 -3.518) 9.025 4.836 ( 0.620 -1.395 3.008) 3.374 5.212 ( -2.600 12.514 -0.478) 12.791 5.536 ( -7.729 7.886 0.768) 11.068 7.817 ( 2.513 7.937 3.227) 8.929 8.366 ( -4.515 -3.370 -1.947) 5.961 9.151 ( 6.722 2.630 -0.279) 7.224 9.399 ( 1.820 2.962 0.362) 3.495 9.500 ( 7.895 -4.937 -1.554) 9.440 9.731 ( 3.344 1.748 -0.636) 3.827 9.917 ( 1.418 8.267 2.502) 8.753 10.205 ( -8.008 -3.572 0.661) 8.793 10.589 ( -8.688 -5.193 -1.821) 10.284 12.489 ( 14.100 4.912 -0.381) 14.935 13.889 ( -0.368 -1.516 -0.877) 1.790 14.379 ( -10.237 1.916 1.190) 10.483 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( 5.780 1.267 0.198) 5.921 3.005 ( 2.825 6.431 1.071) 7.105 3.130 ( 15.860 3.114 -0.325) 16.166 3.200 ( 4.784 -1.829 -0.504) 5.147 3.473 ( -2.519 -1.531 -1.135) 3.159 3.669 ( 5.689 7.954 0.819) 9.813 3.998 ( 12.500 4.127 0.137) 13.164 4.189 ( 11.159 2.949 -0.222) 11.544 4.547 ( -1.332 5.748 -1.670) 6.132 4.848 ( 2.669 -2.183 1.995) 3.983 5.241 ( -4.618 5.992 -0.561) 7.586 5.430 ( -11.144 2.996 0.742) 11.563 7.948 ( 3.310 6.809 3.712) 8.432 8.248 ( -4.217 -4.264 -2.773) 6.607 9.290 ( 7.041 1.580 -0.064) 7.216 9.446 ( 0.697 2.188 -0.069) 2.297 9.571 ( 4.118 -1.526 -1.790) 4.742 9.807 ( 2.071 2.538 0.111) 3.277 9.983 ( -2.181 1.307 3.376) 4.226 10.078 ( 0.042 -3.857 -0.944) 3.971 10.427 ( -6.315 0.483 -1.329) 6.472 12.807 ( 15.834 7.001 0.118) 17.313 13.846 ( -0.975 -3.954 -1.624) 4.384 14.185 ( -13.495 -0.479 1.506) 13.588 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( 6.120 1.156 0.593) 6.256 3.069 ( -1.541 3.426 0.233) 3.764 3.234 ( 3.290 -2.572 0.297) 4.187 3.316 ( 0.036 1.133 -0.650) 1.306 3.468 ( 4.906 1.135 -0.433) 5.055 3.860 ( 6.783 5.232 -0.112) 8.567 4.220 ( 9.087 2.370 0.884) 9.432 4.348 ( 3.023 3.811 -1.777) 5.179 4.615 ( 4.002 4.012 0.343) 5.677 4.915 ( 7.652 -1.633 1.023) 7.891 5.171 ( -6.876 0.021 0.265) 6.881 5.231 ( -12.418 -1.312 -0.433) 12.495 8.069 ( 0.191 6.344 5.931) 8.687 8.135 ( -0.441 -5.685 -5.619) 8.006 9.411 ( 5.335 0.617 0.125) 5.372 9.467 ( -0.236 1.646 -0.139) 1.668 9.607 ( 1.775 0.113 -0.493) 1.846 9.792 ( -5.338 1.410 -1.597) 5.748 9.968 ( 0.685 -2.389 5.455) 5.995 10.071 ( 1.860 -2.103 -3.304) 4.336 10.393 ( -0.288 2.784 -0.277) 2.813 13.149 ( 14.859 7.784 0.350) 16.778 13.785 ( -0.692 -3.827 -2.250) 4.493 13.929 ( -14.006 -3.325 1.920) 14.523 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.030 ( -4.157 0.035 0.970) 4.268 3.070 ( 5.745 -0.677 -1.106) 5.889 3.255 ( -4.593 0.596 0.029) 4.631 3.285 ( 3.137 0.029 0.157) 3.141 3.539 ( -0.052 0.119 -0.035) 0.134 3.946 ( -0.234 -0.011 -0.019) 0.235 4.320 ( 0.452 0.048 -0.055) 0.458 4.384 ( -0.548 0.014 -0.010) 0.548 4.730 ( 3.328 1.062 0.320) 3.508 5.014 ( -4.921 -4.337 -0.660) 6.592 5.029 ( -4.513 -0.175 0.056) 4.517 5.082 ( 4.874 2.677 0.356) 5.573 7.999 ( -5.113 -2.319 -0.015) 5.615 8.200 ( 4.564 2.115 0.028) 5.030 9.462 ( 0.293 0.254 -0.173) 0.425 9.475 ( -0.181 -0.321 0.153) 0.399 9.655 ( 3.349 1.427 0.004) 3.641 9.711 ( -3.288 -1.329 0.008) 3.546 9.925 ( -3.001 -1.275 0.004) 3.261 10.113 ( 3.014 1.248 -0.007) 3.263 10.416 ( 0.237 0.131 0.001) 0.271 13.376 ( 0.099 0.026 0.000) 0.102 13.705 ( -2.296 -1.097 0.007) 2.545 13.785 ( 2.188 1.056 -0.006) 2.429 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( -3.453 -1.450 1.049) 3.889 3.068 ( -3.150 -4.315 -3.875) 6.599 3.238 ( 0.121 3.722 4.087) 5.529 3.339 ( 2.770 -0.864 -1.962) 3.503 3.456 ( -5.720 -4.630 1.070) 7.436 3.845 ( -8.924 -4.263 0.125) 9.891 4.224 ( -9.129 -5.777 0.737) 10.828 4.334 ( -1.896 -4.005 -1.330) 4.626 4.694 ( -5.256 2.223 -0.343) 5.717 4.839 ( -3.170 -10.330 -0.336) 10.811 5.144 ( 6.361 10.361 1.003) 12.199 5.209 ( 2.941 4.608 -0.224) 5.471 7.898 ( -4.452 -1.314 0.306) 4.652 8.284 ( 2.892 1.918 0.040) 3.470 9.418 ( -3.528 -3.202 0.238) 4.770 9.468 ( -0.089 -0.219 -0.487) 0.541 9.642 ( -2.020 -4.655 -1.747) 5.367 9.734 ( 3.193 1.928 0.689) 3.793 9.897 ( -1.530 4.978 1.568) 5.439 10.168 ( 3.661 -2.884 -0.454) 4.683 10.397 ( -2.493 1.647 -0.169) 2.993 13.152 ( -14.672 -7.916 0.342) 16.675 13.737 ( 6.011 -5.209 -1.851) 8.166 13.974 ( 8.048 13.294 1.483) 15.610 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( -2.457 -2.066 1.164) 3.414 2.921 ( -7.687 -4.107 -2.308) 9.016 3.193 ( -8.279 -7.567 -0.087) 11.217 3.277 ( -2.876 -5.619 2.424) 6.761 3.414 ( 1.085 0.503 -2.499) 2.770 3.617 ( -9.800 -1.773 1.893) 10.138 3.962 ( -10.570 -10.456 -0.323) 14.871 4.207 ( -7.201 -6.513 0.294) 9.714 4.633 ( -4.945 3.305 -3.082) 6.698 4.752 ( 1.135 -3.791 1.793) 4.344 5.254 ( -4.211 6.653 -0.586) 7.896 5.347 ( 4.210 10.181 1.420) 11.108 7.825 ( -4.133 0.886 1.263) 4.412 8.338 ( 1.477 1.707 -0.324) 2.281 9.305 ( -4.881 -4.594 0.109) 6.704 9.455 ( -1.011 -0.486 -0.275) 1.155 9.534 ( -2.403 -8.016 -2.585) 8.759 9.791 ( 0.601 1.981 1.999) 2.878 9.960 ( -0.460 6.783 0.319) 6.806 10.157 ( 1.232 -5.578 0.837) 5.773 10.423 ( 2.369 5.986 -1.342) 6.576 12.813 ( -14.078 -9.858 0.149) 17.187 13.787 ( 4.640 -2.840 -1.717) 5.705 14.238 ( 6.605 12.833 1.528) 14.513 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( -10.018 -6.271 -0.592) 11.834 2.816 ( -4.987 -5.213 1.632) 7.397 2.973 ( -8.382 -8.696 -1.027) 12.121 3.036 ( -11.169 -4.965 -1.959) 12.379 3.442 ( 0.116 4.612 -1.793) 4.950 3.580 ( 0.575 0.663 4.565) 4.649 3.682 ( -9.910 -8.720 -0.771) 13.222 3.988 ( -8.424 -9.172 0.960) 12.490 4.579 ( -4.945 4.247 -4.248) 7.781 4.773 ( 1.440 0.859 2.674) 3.156 5.195 ( -10.939 8.284 -0.594) 13.735 5.477 ( -0.859 9.260 1.190) 9.376 7.778 ( -4.192 2.918 2.004) 5.487 8.371 ( 0.797 1.482 -0.814) 1.870 9.173 ( -5.331 -3.887 -0.080) 6.598 9.394 ( -3.850 -5.277 -0.110) 6.533 9.436 ( 0.620 -4.910 -1.202) 5.092 9.768 ( -6.461 1.094 -0.866) 6.610 9.963 ( -1.353 0.609 2.500) 2.907 10.194 ( 3.058 4.089 0.327) 5.116 10.577 ( 9.075 4.989 -1.604) 10.480 12.497 ( -11.088 -9.779 -0.317) 14.788 13.821 ( 1.756 -1.074 -1.135) 2.351 14.442 ( 3.121 10.571 1.402) 11.111 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( -0.000 0.896 -1.496) 1.744 2.695 ( 0.000 7.247 4.367) 8.461 2.696 ( -0.000 0.146 -6.908) 6.909 3.092 ( 0.000 12.111 5.265) 13.206 3.224 ( -0.000 1.433 -3.136) 3.448 3.588 ( -0.000 -1.089 -0.718) 1.304 3.706 ( 0.000 4.637 0.827) 4.710 3.717 ( 0.000 -2.430 2.150) 3.244 4.594 ( -0.000 7.780 -3.858) 8.684 4.833 ( 0.000 -1.030 3.104) 3.271 5.266 ( 0.000 15.296 -0.563) 15.307 5.678 ( 0.000 9.669 0.447) 9.679 7.774 ( 0.000 8.211 2.532) 8.592 8.475 ( -0.000 -2.438 -2.412) 3.430 9.012 ( 0.000 2.789 -0.106) 2.791 9.269 ( 0.000 -6.618 2.476) 7.066 9.374 ( -0.000 2.327 -0.854) 2.478 9.683 ( -0.000 2.915 -3.956) 4.914 9.909 ( 0.000 9.501 5.084) 10.776 10.383 ( -0.000 -2.135 -0.582) 2.213 10.780 ( -0.000 -9.001 -1.355) 9.102 12.182 ( -0.000 1.920 -1.018) 2.173 13.907 ( -0.000 2.145 -0.216) 2.155 14.568 ( 0.000 2.786 0.917) 2.933 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 13.428 1.155 -0.118) 13.478 2.706 ( 2.541 0.115 -3.405) 4.250 2.819 ( 6.376 4.532 2.408) 8.185 3.122 ( -2.849 4.378 -0.122) 5.225 3.406 ( 12.273 6.182 0.923) 13.773 3.565 ( -1.160 -0.964 0.184) 1.520 3.686 ( 0.644 -1.557 -0.341) 1.719 3.818 ( 7.451 1.599 0.436) 7.633 4.635 ( -2.017 5.824 -2.452) 6.633 4.825 ( -0.147 -1.478 2.284) 2.725 5.372 ( -2.301 10.326 -0.988) 10.625 5.718 ( -4.685 6.127 0.363) 7.721 7.862 ( 1.278 6.342 2.094) 6.800 8.409 ( -3.983 -2.435 -1.863) 5.026 9.075 ( 4.382 1.819 -0.028) 4.745 9.287 ( 7.860 -4.631 0.779) 9.156 9.406 ( 1.251 1.800 -0.305) 2.213 9.711 ( 1.110 2.226 -1.714) 3.020 9.994 ( -0.367 6.051 3.212) 6.861 10.323 ( -6.359 0.884 -0.552) 6.444 10.642 ( -4.995 -7.297 -1.203) 8.925 12.295 ( 10.823 1.880 -0.556) 10.999 13.909 ( -1.662 0.900 -0.634) 1.994 14.541 ( -5.915 1.602 1.026) 6.213 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 4.715 1.019 0.910) 4.909 2.802 ( 20.115 0.487 -0.749) 20.135 2.988 ( 8.097 2.375 1.581) 8.585 3.129 ( 0.893 0.783 -1.304) 1.764 3.505 ( -2.609 -0.510 -1.310) 2.964 3.653 ( 3.537 4.488 1.197) 5.838 3.773 ( 14.988 -0.697 -0.930) 15.033 3.995 ( 11.776 0.661 0.210) 11.797 4.635 ( -2.904 3.855 -1.045) 4.938 4.812 ( 0.081 -1.711 1.279) 2.138 5.383 ( -4.911 4.814 -0.867) 6.931 5.639 ( -9.308 2.292 -0.203) 9.588 7.949 ( 2.817 3.258 0.622) 4.352 8.302 ( -5.511 -1.592 -0.387) 5.749 9.183 ( 6.488 0.822 0.100) 6.540 9.419 ( 9.749 -1.464 -0.666) 9.881 9.445 ( 1.982 0.571 -0.127) 2.066 9.760 ( 3.118 1.094 0.118) 3.307 10.026 ( -0.845 1.545 1.120) 2.086 10.180 ( -10.524 0.507 0.172) 10.537 10.508 ( -4.459 -2.019 -0.805) 4.960 12.558 ( 17.002 1.936 -0.090) 17.112 13.864 ( -3.362 -0.483 -1.046) 3.554 14.406 ( -11.170 0.383 1.117) 11.232 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.859 ( 5.849 -0.046 0.495) 5.870 3.089 ( 4.717 0.289 2.235) 5.228 3.135 ( 8.495 -1.521 -4.459) 9.715 3.189 ( 10.153 1.279 3.695) 10.880 3.451 ( -2.560 0.159 -1.693) 3.074 3.753 ( 7.127 -0.279 -0.713) 7.169 4.036 ( 13.766 -0.101 -0.338) 13.771 4.217 ( 12.536 0.077 -0.033) 12.537 4.621 ( -1.154 1.159 1.000) 1.917 4.811 ( 2.216 -1.154 -0.296) 2.516 5.301 ( -7.143 0.211 -0.506) 7.164 5.454 ( -12.789 -0.464 -1.015) 12.838 8.014 ( 3.848 -2.371 -3.527) 5.733 8.206 ( -5.317 2.017 3.268) 6.559 9.305 ( 7.009 0.044 0.245) 7.014 9.469 ( 0.858 0.032 -0.014) 0.859 9.553 ( 5.396 0.562 -0.439) 5.443 9.843 ( 5.313 0.235 -1.906) 5.649 9.962 ( -8.171 -2.100 2.004) 8.671 10.061 ( -1.133 1.136 0.388) 1.651 10.439 ( -3.200 0.375 -0.044) 3.222 12.881 ( 18.781 -0.053 0.144) 18.781 13.799 ( -3.101 0.464 -1.173) 3.347 14.182 ( -15.013 -0.405 1.053) 15.055 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( 5.350 -1.762 -0.586) 5.664 3.085 ( -1.043 -3.664 2.670) 4.652 3.211 ( 3.011 2.120 -2.929) 4.705 3.337 ( 0.082 0.337 2.010) 2.040 3.463 ( 5.376 -1.250 -1.082) 5.625 3.857 ( 6.987 -5.413 -0.466) 8.851 4.213 ( 8.459 -3.089 -0.206) 9.008 4.361 ( 4.090 -2.277 0.142) 4.683 4.628 ( 3.378 -3.873 2.219) 5.597 4.898 ( 7.768 0.549 -1.523) 7.935 5.158 ( -9.117 -0.264 -1.512) 9.245 5.231 ( -10.202 0.857 -0.423) 10.246 7.991 ( 0.336 -6.249 -5.462) 8.306 8.206 ( -0.457 4.944 4.722) 6.852 9.411 ( 5.102 -0.755 0.098) 5.159 9.470 ( -0.057 -1.257 0.253) 1.284 9.616 ( 1.605 0.665 1.056) 2.033 9.811 ( -7.223 0.319 0.691) 7.263 9.894 ( 2.846 -2.652 -4.977) 6.317 10.116 ( 1.857 4.607 3.270) 5.947 10.396 ( -0.460 -2.502 0.214) 2.553 13.145 ( 14.714 -8.039 -0.118) 16.768 13.802 ( 0.859 6.034 -0.092) 6.095 13.916 ( -15.426 1.359 0.216) 15.488 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( -0.123 -3.995 -0.445) 4.022 3.037 ( -0.195 -4.130 0.327) 4.148 3.281 ( 3.169 2.657 -2.268) 4.717 3.308 ( -2.807 -0.129 2.715) 3.907 3.465 ( -1.860 -6.389 -0.117) 6.655 3.848 ( 0.521 -9.622 -0.237) 9.639 4.235 ( -1.043 -11.943 -0.954) 12.026 4.316 ( -1.390 -2.623 1.246) 3.219 4.673 ( 4.696 -4.401 2.249) 6.818 4.858 ( -7.475 -6.988 -2.886) 10.632 5.158 ( 4.372 10.062 -0.929) 11.010 5.208 ( 2.600 5.779 -0.021) 6.337 7.920 ( -1.043 -3.962 -2.898) 5.018 8.270 ( 1.754 3.362 2.231) 4.399 9.420 ( -1.219 -4.794 -0.048) 4.947 9.463 ( 0.253 -0.175 0.153) 0.344 9.617 ( -0.757 -4.398 1.662) 4.762 9.751 ( -1.584 3.860 -1.298) 4.369 9.922 ( 3.307 1.543 -2.309) 4.319 10.151 ( -3.007 1.633 2.049) 3.988 10.394 ( 2.819 -1.710 0.313) 3.312 13.156 ( 0.311 -16.655 -0.204) 16.659 13.722 ( -6.347 2.309 0.367) 6.764 13.985 ( 6.491 13.888 -0.177) 15.331 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( -2.006 -3.400 0.870) 4.043 2.958 ( -3.582 -6.431 -1.679) 7.550 3.237 ( -3.569 -6.901 1.237) 7.867 3.274 ( -5.525 -7.958 -0.559) 9.704 3.391 ( 2.209 2.590 0.676) 3.471 3.707 ( -5.040 -8.077 -0.316) 9.525 4.001 ( -7.855 -13.507 -0.325) 15.628 4.235 ( -4.894 -8.513 0.233) 9.822 4.686 ( 1.011 -3.536 1.550) 3.991 4.724 ( -2.143 1.366 -2.176) 3.346 5.324 ( 4.065 5.527 1.247) 6.973 5.364 ( 5.046 10.671 -1.417) 11.889 7.873 ( -1.101 -0.986 -0.645) 1.612 8.331 ( 1.632 2.340 0.567) 2.908 9.323 ( -3.373 -5.853 0.134) 6.756 9.449 ( -0.995 -2.016 -0.384) 2.281 9.518 ( -3.443 -6.354 -0.160) 7.229 9.797 ( 1.708 3.344 0.004) 3.755 10.035 ( 3.716 8.028 0.299) 8.852 10.080 ( -2.085 -4.887 0.083) 5.314 10.439 ( 1.602 2.382 0.026) 2.870 12.892 ( -9.555 -16.499 0.071) 19.066 13.722 ( 1.767 2.679 -0.501) 3.248 14.249 ( 7.468 13.252 0.410) 15.217 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -7.454 -10.409 -0.223) 12.805 2.840 ( -2.965 -4.096 0.256) 5.063 3.018 ( -8.100 -11.070 0.410) 13.723 3.126 ( -4.931 -4.250 -1.020) 6.589 3.464 ( 1.503 3.812 -1.565) 4.386 3.593 ( -1.741 -2.277 2.845) 4.038 3.745 ( -7.944 -10.091 -0.513) 12.853 4.013 ( -7.277 -12.103 0.159) 14.123 4.674 ( -2.535 3.413 -2.930) 5.163 4.747 ( 2.520 0.219 2.403) 3.489 5.396 ( -2.964 7.030 -1.046) 7.701 5.536 ( 3.686 7.804 1.318) 8.731 7.855 ( -1.550 1.538 0.894) 2.359 8.373 ( 0.842 1.754 -0.437) 1.994 9.207 ( -3.737 -4.860 -0.053) 6.131 9.344 ( -2.980 -9.225 -0.369) 9.702 9.446 ( -1.582 -1.008 0.024) 1.876 9.845 ( -0.567 2.842 -0.857) 3.022 9.985 ( -2.341 -3.374 1.544) 4.387 10.205 ( 4.085 8.784 0.005) 9.687 10.503 ( 3.737 2.705 -0.696) 4.666 12.563 ( -10.213 -14.059 -0.129) 17.377 13.789 ( 2.431 2.530 -0.423) 3.534 14.476 ( 5.064 10.281 0.496) 11.471 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 0.000 0.460 0.015) 0.460 2.685 ( -0.000 0.686 -0.121) 0.697 2.793 ( -0.000 1.745 -0.260) 1.765 3.242 ( 0.000 1.045 0.652) 1.232 3.282 ( 0.000 4.844 -0.200) 4.848 3.567 ( -0.000 -0.926 -0.035) 0.927 3.663 ( -0.000 -2.069 -0.567) 2.145 3.769 ( -0.000 1.504 -0.282) 1.531 4.696 ( -0.000 3.632 -1.040) 3.778 4.816 ( 0.000 -1.485 1.306) 1.978 5.471 ( -0.000 5.697 -1.110) 5.804 5.804 ( -0.000 2.964 -0.373) 2.988 7.902 ( 0.000 3.155 0.810) 3.257 8.427 ( -0.000 -0.954 -1.120) 1.471 9.046 ( 0.000 0.652 0.339) 0.734 9.181 ( 0.000 -2.495 0.270) 2.510 9.409 ( 0.000 1.036 -0.041) 1.037 9.720 ( -0.000 1.647 -0.275) 1.670 10.044 ( 0.000 2.155 1.341) 2.538 10.410 ( -0.000 4.490 -0.358) 4.504 10.608 ( -0.000 -7.166 -0.668) 7.197 12.207 ( -0.000 0.854 -0.372) 0.931 13.935 ( -0.000 0.860 -0.790) 1.168 14.607 ( 0.000 0.731 1.056) 1.284 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 13.823 0.032 0.309) 13.826 2.719 ( 2.380 1.423 2.969) 4.062 2.854 ( 6.691 -1.001 -2.056) 7.071 3.163 ( -3.729 0.196 0.010) 3.734 3.485 ( 14.301 -0.560 -1.421) 14.382 3.545 ( -1.366 -0.786 -0.522) 1.661 3.656 ( 0.412 0.723 -0.147) 0.845 3.835 ( 6.902 -0.146 -0.408) 6.916 4.702 ( -1.903 1.156 0.591) 2.304 4.802 ( -0.237 -1.079 -0.075) 1.107 5.476 ( -2.741 0.398 -0.729) 2.864 5.771 ( -5.031 -0.435 -1.366) 5.231 7.925 ( 1.223 -0.896 -0.932) 1.780 8.385 ( -4.190 0.797 0.621) 4.310 9.094 ( 4.473 0.066 0.411) 4.492 9.238 ( 8.079 -0.316 -0.689) 8.114 9.425 ( 1.112 0.063 0.078) 1.116 9.740 ( 0.839 0.698 1.332) 1.722 10.043 ( -0.611 -1.159 -0.802) 1.536 10.363 ( -8.552 0.109 0.241) 8.556 10.548 ( -2.057 0.519 -0.152) 2.126 12.315 ( 11.406 0.192 -0.019) 11.407 13.916 ( -2.452 0.098 -1.049) 2.669 14.559 ( -6.075 -0.219 1.103) 6.178 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 10.180 -1.464 -0.637) 10.304 2.848 ( 13.838 1.992 4.863) 14.802 2.960 ( 7.793 -4.491 -2.322) 9.290 3.143 ( 1.812 0.021 0.620) 1.915 3.503 ( -2.875 0.995 -1.532) 3.406 3.628 ( 5.396 -5.617 -2.472) 8.171 3.778 ( 13.414 0.394 -0.212) 13.421 3.995 ( 11.979 -0.750 0.255) 12.005 4.660 ( -2.841 -2.004 2.571) 4.324 4.791 ( 0.006 0.058 -1.876) 1.877 5.386 ( -4.954 -4.364 -0.293) 6.608 5.626 ( -9.312 -2.943 -2.212) 10.014 7.920 ( 2.043 -4.856 -3.218) 6.173 8.324 ( -4.889 2.620 2.506) 6.086 9.186 ( 6.449 -0.696 0.467) 6.503 9.417 ( 10.302 1.430 -0.991) 10.448 9.446 ( 1.991 -0.212 -0.012) 2.002 9.769 ( 2.099 -0.590 1.540) 2.670 10.009 ( -0.167 -2.967 -1.306) 3.246 10.183 ( -10.517 -0.485 0.513) 10.541 10.517 ( -4.480 2.834 0.408) 5.317 12.560 ( 16.886 -1.762 0.197) 16.979 13.864 ( -3.185 0.902 -1.140) 3.502 14.406 ( -11.271 -0.919 1.030) 11.355 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( 5.102 -1.040 0.988) 5.300 2.993 ( 4.105 -7.546 -1.049) 8.654 3.139 ( 14.266 -0.379 1.367) 14.336 3.217 ( 4.973 0.254 1.673) 5.253 3.467 ( -2.563 2.175 -1.742) 3.787 3.650 ( 6.601 -8.881 -1.982) 11.242 3.993 ( 12.682 -4.195 -0.736) 13.378 4.191 ( 11.440 -2.874 0.169) 11.797 4.584 ( -2.138 -5.340 3.646) 6.810 4.816 ( 3.065 1.650 -2.724) 4.420 5.243 ( -4.720 -5.855 -0.050) 7.521 5.407 ( -11.141 -3.310 -2.627) 11.916 7.888 ( 2.129 -6.725 -4.632) 8.439 8.291 ( -3.081 3.464 3.220) 5.644 9.294 ( 6.901 -1.551 0.384) 7.084 9.449 ( 0.914 -1.993 0.312) 2.215 9.591 ( 4.857 3.003 1.184) 5.831 9.790 ( 2.511 -3.530 -2.502) 5.003 9.951 ( -6.090 -0.677 -0.913) 6.195 10.100 ( 2.956 2.297 2.085) 4.285 10.440 ( -6.516 0.255 0.603) 6.549 12.806 ( 15.578 -7.015 0.079) 17.085 13.853 ( -0.205 4.799 -0.588) 4.839 14.178 ( -14.050 -0.356 0.557) 14.065 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( 2.955 -2.201 -0.294) 3.696 2.966 ( 2.196 -8.314 0.915) 8.648 3.269 ( 1.287 1.637 -1.157) 2.382 3.288 ( 4.158 -5.073 2.378) 6.977 3.448 ( -1.656 0.073 -0.989) 1.930 3.657 ( 6.974 -13.121 -1.454) 14.930 4.086 ( 5.266 -9.763 -0.442) 11.102 4.272 ( 2.616 -6.568 1.059) 7.149 4.549 ( 4.329 -4.058 2.080) 6.287 4.862 ( -0.116 -3.320 -2.048) 3.903 5.169 ( 1.573 -0.934 0.398) 1.872 5.244 ( -3.126 2.518 -2.806) 4.898 7.851 ( 2.083 -5.640 -4.101) 7.278 8.299 ( -0.593 2.980 2.380) 3.859 9.359 ( 2.926 -4.696 -0.135) 5.535 9.447 ( 1.172 -1.196 0.914) 1.907 9.616 ( -2.300 -2.237 2.827) 4.276 9.829 ( 1.643 1.952 1.841) 3.146 9.845 ( -1.146 -0.258 -6.791) 6.892 10.253 ( 5.543 6.736 2.760) 9.150 10.308 ( -5.369 -4.814 0.006) 7.211 12.913 ( 8.326 -13.802 -0.216) 16.120 13.887 ( -7.342 1.073 2.131) 7.720 14.035 ( 0.414 10.299 -1.907) 10.482 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( -0.562 -4.070 1.078) 4.247 2.914 ( 0.390 -7.456 -1.013) 7.535 3.189 ( -1.953 -10.974 0.984) 11.190 3.294 ( -4.477 -6.115 -2.666) 8.034 3.393 ( 0.756 0.079 3.701) 3.779 3.632 ( 2.951 -7.778 -2.389) 8.655 3.962 ( -3.849 -14.450 -0.313) 14.957 4.207 ( -1.864 -9.157 0.118) 9.346 4.610 ( 4.650 -3.068 3.643) 6.656 4.769 ( -3.204 -0.730 -3.270) 4.636 5.247 ( 7.684 -0.188 1.165) 7.774 5.360 ( 6.479 8.542 -2.365) 10.979 7.837 ( 2.306 -3.048 -2.481) 4.556 8.333 ( 0.946 2.191 1.184) 2.664 9.305 ( -1.536 -6.579 0.074) 6.756 9.453 ( -0.067 -1.023 0.336) 1.079 9.520 ( -4.657 -5.934 1.538) 7.699 9.802 ( 0.304 1.253 -1.333) 1.855 9.963 ( 6.423 2.467 -0.693) 6.915 10.160 ( -5.771 -0.940 -0.159) 5.850 10.414 ( 4.453 4.724 1.335) 6.628 12.814 ( -1.545 -17.237 -0.064) 17.306 13.778 ( -4.438 2.672 0.891) 5.256 14.246 ( 7.506 12.172 -0.804) 14.323 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 0.000 0.094 1.225) 1.229 2.726 ( 0.000 2.176 5.737) 6.136 2.764 ( -0.000 -3.512 -4.364) 5.602 3.241 ( -0.000 -7.191 -5.810) 9.245 3.268 ( 0.000 0.258 4.152) 4.160 3.563 ( -0.000 1.128 -0.826) 1.398 3.663 ( -0.000 1.467 -0.640) 1.601 3.762 ( -0.000 -1.843 -1.323) 2.269 4.719 ( 0.000 -1.870 2.293) 2.959 4.797 ( -0.000 -0.042 -1.520) 1.520 5.475 ( -0.000 -5.132 -0.378) 5.146 5.791 ( -0.000 -3.501 -2.386) 4.237 7.886 ( -0.000 -4.344 -1.449) 4.579 8.442 ( 0.000 2.148 0.903) 2.330 9.049 ( 0.000 -0.592 0.736) 0.945 9.170 ( -0.000 1.541 -1.341) 2.043 9.411 ( 0.000 -0.841 0.236) 0.873 9.742 ( 0.000 0.009 3.017) 3.017 10.016 ( -0.000 -4.541 -2.847) 5.360 10.415 ( 0.000 -3.977 0.377) 3.994 10.615 ( 0.000 7.737 0.306) 7.743 12.211 ( 0.000 -0.384 0.258) 0.463 13.932 ( -0.000 -0.742 -1.260) 1.462 14.608 ( 0.000 -1.138 1.173) 1.634 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 12.373 -0.636 1.222) 12.450 2.769 ( 6.704 -5.998 -4.435) 10.029 2.784 ( 2.379 2.626 7.365) 8.173 3.105 ( -0.966 -6.608 -3.039) 7.338 3.399 ( 10.884 -4.450 0.635) 11.775 3.559 ( -1.870 1.642 -0.941) 2.660 3.674 ( 1.215 -0.160 -2.026) 2.368 3.809 ( 7.974 -1.965 -0.791) 8.250 4.677 ( -1.924 -4.451 3.504) 5.983 4.793 ( -0.288 0.508 -2.510) 2.578 5.376 ( -2.322 -10.393 -0.341) 10.654 5.697 ( -4.709 -5.960 -2.744) 8.076 7.833 ( 0.778 -6.756 -1.929) 7.069 8.430 ( -3.834 2.550 1.063) 4.726 9.081 ( 4.359 -1.727 0.839) 4.763 9.267 ( 8.325 3.744 -2.003) 9.346 9.411 ( 1.262 -1.313 0.367) 1.858 9.751 ( 0.439 -0.724 4.247) 4.330 9.948 ( 0.320 -7.567 -3.625) 8.396 10.328 ( -6.532 -1.101 0.202) 6.627 10.654 ( -4.859 7.742 0.507) 9.154 12.302 ( 10.663 -1.519 0.473) 10.781 13.904 ( -1.515 -0.740 -1.417) 2.202 14.542 ( -5.991 -2.030 1.176) 6.434 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( 11.586 -2.192 0.958) 11.831 2.815 ( 6.973 -8.617 -3.046) 11.496 2.907 ( 8.866 1.401 6.364) 11.003 3.090 ( 7.488 -6.315 -1.341) 9.887 3.490 ( 3.750 -5.306 -1.297) 6.626 3.532 ( -2.246 1.465 -1.602) 3.124 3.736 ( 9.877 -4.065 -1.921) 10.852 3.961 ( 11.546 -3.107 0.159) 11.957 4.584 ( -3.280 -6.811 4.329) 8.712 4.793 ( 0.680 0.635 -3.288) 3.417 5.211 ( -2.462 -12.778 -0.504) 13.023 5.514 ( -7.907 -7.168 -2.446) 10.949 7.777 ( 1.629 -7.498 -2.451) 8.055 8.386 ( -4.030 2.377 0.857) 4.757 9.157 ( 6.593 -2.542 0.700) 7.101 9.395 ( 2.711 -2.885 -0.102) 3.960 9.507 ( 9.220 6.005 -0.832) 11.034 9.744 ( -0.745 -3.236 1.379) 3.595 9.897 ( 4.118 -7.178 -0.324) 8.281 10.199 ( -8.312 2.481 -0.317) 8.681 10.605 ( -8.569 5.649 0.576) 10.280 12.495 ( 13.788 -4.764 0.404) 14.594 13.887 ( 0.152 1.848 -1.241) 2.231 14.378 ( -10.544 -2.440 0.964) 10.866 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( 5.462 -9.278 -1.256) 10.839 2.844 ( 4.058 -2.833 1.546) 5.185 3.097 ( 10.207 -4.830 3.468) 11.812 3.194 ( 10.485 -5.406 0.947) 11.834 3.424 ( -1.250 -9.398 -3.458) 10.092 3.520 ( -1.076 2.775 -1.855) 3.507 3.863 ( 9.863 -8.464 -0.652) 13.013 4.101 ( 9.114 -6.428 0.165) 11.155 4.476 ( -0.878 -6.754 3.763) 7.781 4.810 ( 2.256 -2.561 -3.083) 4.599 5.089 ( 1.790 -8.279 -0.202) 8.473 5.312 ( -6.019 -5.004 -2.013) 8.082 7.739 ( 2.789 -6.384 -2.643) 7.451 8.353 ( -2.378 2.012 0.460) 3.149 9.238 ( 5.702 -4.377 0.250) 7.193 9.400 ( 2.069 -3.181 0.895) 3.899 9.642 ( -1.977 -2.427 3.760) 4.892 9.729 ( 6.617 1.861 -4.947) 8.469 9.904 ( -0.257 -3.815 1.085) 3.975 10.157 ( 1.832 2.952 -0.180) 3.479 10.492 ( -10.137 5.441 0.808) 11.533 12.635 ( 10.157 -9.806 0.114) 14.119 13.950 ( 2.253 4.206 0.152) 4.774 14.175 ( -9.370 0.155 -0.278) 9.375 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( 4.442 -10.725 -0.457) 11.618 2.868 ( 1.003 -2.365 0.781) 2.685 3.102 ( 0.112 -10.687 2.213) 10.915 3.240 ( 0.041 -20.507 0.645) 20.518 3.341 ( 4.277 2.810 -0.669) 5.161 3.547 ( 1.432 2.512 -2.883) 4.083 3.847 ( 1.020 -13.535 -0.155) 13.574 4.113 ( 2.094 -9.816 -0.242) 10.040 4.488 ( 6.256 -3.472 3.366) 7.907 4.786 ( -0.060 -3.109 -2.507) 3.994 5.085 ( 6.019 -6.427 -0.013) 8.805 5.301 ( 6.402 2.839 -1.468) 7.156 7.739 ( 3.958 -4.195 -2.422) 6.255 8.349 ( -0.369 1.673 0.349) 1.749 9.241 ( 1.325 -6.878 0.071) 7.005 9.413 ( 2.206 -2.959 0.582) 3.737 9.561 ( -3.625 -4.003 2.934) 6.146 9.791 ( -0.664 -3.582 -3.572) 5.102 9.897 ( 3.924 2.689 1.593) 5.016 10.195 ( -0.747 -1.987 -1.999) 2.916 10.463 ( -1.559 11.273 2.110) 11.575 12.637 ( 3.593 -13.674 0.032) 14.138 13.897 ( -7.224 -0.766 1.730) 7.467 14.226 ( 6.856 9.160 -1.808) 11.583 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 0.000 -0.004 2.591) 2.591 2.624 ( -0.000 -8.266 -6.004) 10.217 2.813 ( 0.000 2.765 9.940) 10.317 2.999 ( -0.000 -13.329 -8.058) 15.576 3.280 ( 0.000 -1.222 4.941) 5.090 3.594 ( 0.000 1.755 0.061) 1.756 3.675 ( -0.000 0.263 -3.760) 3.769 3.687 ( -0.000 -4.863 -2.010) 5.262 4.650 ( 0.000 -6.241 4.046) 7.437 4.793 ( -0.000 0.001 -2.637) 2.637 5.263 ( -0.000 -15.787 -0.847) 15.809 5.658 ( -0.000 -8.710 -2.359) 9.024 7.751 ( -0.000 -8.054 -0.735) 8.087 8.492 ( -0.000 2.174 -0.154) 2.179 9.021 ( 0.000 -2.765 1.149) 2.994 9.230 ( -0.000 5.042 -3.013) 5.873 9.385 ( 0.000 -1.397 0.734) 1.578 9.752 ( 0.000 -0.992 6.309) 6.387 9.843 ( -0.000 -10.704 -4.792) 11.727 10.382 ( -0.000 1.145 -0.768) 1.379 10.793 ( 0.000 9.414 0.468) 9.426 12.195 ( 0.000 -1.480 0.807) 1.685 13.896 ( -0.000 -2.122 -1.700) 2.719 14.571 ( 0.000 -3.196 1.265) 3.437 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 10.459 -0.744 2.858) 10.868 2.584 ( 6.913 -10.610 -5.017) 13.620 2.858 ( 3.869 -8.670 2.400) 9.793 2.888 ( 1.994 -3.000 0.734) 3.676 3.348 ( 7.582 -2.487 3.276) 8.626 3.556 ( -2.410 -3.691 -2.557) 5.096 3.644 ( -0.179 0.788 -2.442) 2.573 3.750 ( 8.624 -3.902 -1.386) 9.566 4.569 ( -2.250 -8.389 4.867) 9.956 4.774 ( -0.096 -2.992 -3.637) 4.710 5.085 ( -0.596 -16.483 -1.010) 16.524 5.522 ( -3.907 -10.654 -1.480) 11.444 7.676 ( 0.852 -8.145 -0.079) 8.190 8.473 ( -3.574 1.661 -1.093) 4.090 9.032 ( 4.442 -3.631 1.128) 5.846 9.310 ( 3.807 -1.143 -1.938) 4.422 9.431 ( 5.758 5.753 -0.419) 8.150 9.715 ( -0.442 -10.009 -2.936) 10.440 9.771 ( 1.837 -3.127 5.700) 6.756 10.353 ( -5.635 3.868 -1.911) 7.097 10.820 ( -7.240 8.730 0.497) 11.352 12.262 ( 8.789 -2.808 0.843) 9.265 13.876 ( 0.903 -1.329 -1.803) 2.415 14.487 ( -5.680 -4.243 1.195) 7.190 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 6.601 -12.497 -3.497) 14.560 2.690 ( 11.877 -2.953 3.221) 12.656 2.868 ( 12.428 -14.709 -2.936) 19.479 2.956 ( 3.990 0.402 6.888) 7.970 3.403 ( -2.083 -3.389 -2.434) 4.664 3.513 ( 5.745 -5.354 -1.160) 7.938 3.659 ( 2.784 -0.346 -1.425) 3.146 3.868 ( 10.327 -6.288 -0.189) 12.092 4.439 ( -2.736 -9.995 5.161) 11.577 4.694 ( 1.852 -13.718 -5.168) 14.776 4.981 ( 2.029 -4.923 -0.064) 5.325 5.328 ( -5.241 -10.838 -0.616) 12.054 7.627 ( 2.257 -6.790 -0.016) 7.155 8.421 ( -3.604 1.510 -1.632) 4.235 9.091 ( 6.230 -4.513 0.750) 7.729 9.321 ( 2.575 -4.563 0.359) 5.252 9.602 ( 0.502 -10.253 -3.857) 10.966 9.648 ( 8.049 7.971 -0.083) 11.329 9.804 ( 3.824 -2.820 5.498) 7.267 10.277 ( -7.534 6.085 -2.367) 9.969 10.740 ( -10.859 7.809 0.485) 13.384 12.387 ( 9.500 -6.052 0.536) 11.277 13.918 ( 4.469 1.732 -1.440) 5.005 14.314 ( -8.885 -4.510 0.795) 9.996 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( 7.083 -13.298 -2.250) 15.234 2.805 ( 4.157 -3.586 2.242) 5.930 2.912 ( 10.488 -19.650 0.508) 22.280 3.017 ( 2.444 -5.906 5.087) 8.169 3.314 ( -0.129 -2.325 -4.576) 5.135 3.546 ( 2.444 -1.903 -1.354) 3.380 3.694 ( 2.606 -5.617 -0.171) 6.195 3.942 ( 6.485 -9.482 -0.506) 11.498 4.359 ( 3.767 -7.247 4.638) 9.392 4.614 ( 8.492 -14.851 -4.699) 17.741 5.004 ( -0.145 -0.297 -0.154) 0.365 5.195 ( 3.477 -6.448 0.311) 7.332 7.623 ( 3.906 -4.636 -0.608) 6.092 8.384 ( -2.022 1.654 -1.270) 2.905 9.129 ( 3.879 -6.427 0.191) 7.509 9.330 ( 3.359 -4.461 1.174) 5.706 9.517 ( 1.903 -8.937 -1.064) 9.199 9.771 ( -0.469 -0.750 2.587) 2.734 9.864 ( 3.397 1.294 -0.328) 3.650 10.235 ( -3.845 6.186 -2.203) 7.609 10.661 ( -7.432 10.891 1.028) 13.225 12.442 ( 5.536 -9.429 0.251) 10.937 13.983 ( -2.590 -1.610 0.988) 3.205 14.195 ( 2.214 2.291 -1.564) 3.550 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( -0.000 -10.357 -2.178) 10.583 2.414 ( 0.000 -2.353 0.589) 2.425 2.651 ( -0.000 -17.805 -7.144) 19.185 2.919 ( 0.000 2.418 10.155) 10.439 3.252 ( 0.000 -3.790 2.761) 4.689 3.564 ( -0.000 -6.286 -1.513) 6.466 3.578 ( -0.000 -4.555 -2.993) 5.450 3.672 ( -0.000 2.049 -2.154) 2.973 4.507 ( 0.000 -10.863 5.846) 12.336 4.679 ( -0.000 -16.361 -5.801) 17.359 4.953 ( -0.000 -8.209 0.196) 8.211 5.435 ( -0.000 -12.842 -0.515) 12.852 7.590 ( 0.000 -7.994 1.870) 8.209 8.517 ( -0.000 1.011 -2.211) 2.431 8.954 ( 0.000 -4.428 1.414) 4.648 9.258 ( -0.000 -2.167 -2.427) 3.253 9.440 ( -0.000 7.885 -0.562) 7.905 9.581 ( -0.000 -12.579 -5.675) 13.800 9.768 ( 0.000 -0.873 9.374) 9.414 10.445 ( -0.000 6.173 -3.886) 7.294 10.986 ( 0.000 10.032 0.614) 10.051 12.162 ( 0.000 -2.203 1.201) 2.509 13.836 ( -0.000 -3.018 -2.188) 3.728 14.489 ( 0.000 -5.794 1.152) 5.907 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 7.441 -15.256 -4.522) 17.566 2.470 ( 6.941 -8.954 0.593) 11.344 2.536 ( 8.722 -10.332 -2.149) 13.691 2.958 ( -0.010 0.987 9.260) 9.312 3.285 ( 8.213 -6.467 0.284) 10.458 3.417 ( -4.339 -6.660 -3.732) 8.781 3.635 ( 8.941 -6.890 -1.078) 11.339 3.680 ( -0.924 2.136 -0.886) 2.490 4.368 ( -1.425 -17.935 6.150) 19.014 4.466 ( 0.656 -20.804 -7.165) 22.013 4.927 ( 1.578 -1.566 1.530) 2.698 5.281 ( -3.024 -12.265 -0.114) 12.633 7.532 ( 1.304 -6.743 2.817) 7.423 8.490 ( -3.129 1.307 -2.681) 4.323 8.952 ( 4.433 -4.903 1.300) 6.737 9.236 ( 1.618 -4.673 -0.872) 5.021 9.457 ( 1.195 -12.061 -5.226) 13.199 9.594 ( 6.996 10.096 -1.941) 12.435 9.783 ( 0.118 -0.734 9.611) 9.639 10.460 ( -5.420 8.652 -4.989) 11.363 11.003 ( -9.009 9.631 0.817) 13.213 12.204 ( 6.444 -3.281 1.062) 7.309 13.836 ( 4.130 -1.813 -2.316) 5.070 14.381 ( -5.182 -7.162 0.883) 8.884 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 7.984 -16.480 -3.703) 18.682 2.493 ( 13.996 -20.465 -2.326) 24.902 2.664 ( 8.434 -2.712 4.009) 9.725 2.980 ( 0.403 -1.576 8.108) 8.270 3.247 ( 0.190 -11.399 -6.375) 13.062 3.395 ( 6.561 -4.447 -0.264) 7.931 3.683 ( -0.034 1.084 -0.562) 1.222 3.718 ( 8.607 -8.467 -0.378) 12.079 4.187 ( 4.829 -22.048 2.902) 22.756 4.307 ( 3.341 -14.505 -4.325) 15.500 4.974 ( 5.967 -2.623 2.360) 6.932 5.114 ( -4.651 -7.075 -0.184) 8.469 7.518 ( 3.047 -4.829 2.139) 6.098 8.445 ( -3.270 2.418 -2.344) 4.694 8.991 ( 5.167 -5.769 0.647) 7.772 9.224 ( 3.171 -5.419 0.960) 6.351 9.363 ( 2.446 -11.182 -3.965) 12.114 9.790 ( 0.773 2.091 5.825) 6.237 9.812 ( 5.050 4.468 -0.517) 6.762 10.424 ( -8.167 10.505 -3.942) 13.878 10.920 ( -10.313 10.288 0.722) 14.585 12.274 ( 5.592 -5.455 0.626) 7.837 13.931 ( 6.881 -0.060 -1.785) 7.109 14.204 ( -5.319 -6.861 0.262) 8.685 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -0.000 -17.953 -4.651) 18.546 2.232 ( -0.000 -21.474 -7.313) 22.685 2.441 ( 0.000 0.746 6.261) 6.306 2.988 ( 0.000 -0.438 9.433) 9.443 3.133 ( -0.000 -8.575 -2.691) 8.987 3.401 ( -0.000 -11.812 -4.537) 12.653 3.455 ( 0.000 -4.192 0.985) 4.306 3.693 ( -0.000 -1.916 -0.503) 1.981 4.113 ( -0.000 -28.683 -2.582) 28.799 4.312 ( 0.000 -13.908 0.757) 13.929 4.877 ( 0.000 -7.715 3.876) 8.634 5.210 ( -0.000 -6.085 -0.790) 6.136 7.465 ( 0.000 -6.139 4.789) 7.786 8.528 ( -0.000 1.883 -2.335) 3.000 8.865 ( 0.000 -5.137 1.553) 5.367 9.175 ( -0.000 -4.642 -1.500) 4.878 9.322 ( -0.000 -10.544 -6.271) 12.267 9.632 ( -0.000 11.176 -1.677) 11.301 9.799 ( 0.000 -0.619 10.354) 10.372 10.594 ( -0.000 11.767 -7.402) 13.902 11.198 ( 0.000 11.217 1.671) 11.340 12.121 ( 0.000 -2.494 1.364) 2.843 13.759 ( -0.000 -3.778 -2.803) 4.704 14.347 ( -0.000 -9.125 0.311) 9.131 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 8.238 -19.786 -3.863) 21.777 2.065 ( 8.825 -22.571 -5.647) 24.884 2.526 ( 6.588 -0.149 6.983) 9.601 2.979 ( -0.500 -3.508 8.091) 8.833 3.067 ( 2.734 -12.855 -6.767) 14.782 3.266 ( 3.066 -10.692 -2.105) 11.321 3.491 ( 6.953 -7.300 0.467) 10.092 3.612 ( 2.554 -17.198 -1.084) 17.420 3.910 ( 1.245 -11.162 -2.206) 11.446 4.164 ( -0.614 -14.237 0.989) 14.285 4.799 ( 3.586 -14.791 4.420) 15.849 5.168 ( -2.754 2.583 -0.698) 3.839 7.435 ( 1.760 -5.106 4.564) 7.070 8.526 ( -2.737 4.064 -1.558) 5.141 8.855 ( 4.036 -5.352 1.265) 6.822 9.133 ( 1.159 -5.238 -0.601) 5.398 9.222 ( 1.027 -9.081 -5.379) 10.605 9.787 ( 4.740 9.962 -2.378) 11.286 9.814 ( -0.021 -0.607 9.282) 9.302 10.662 ( -5.502 15.027 -7.281) 17.581 11.210 ( -10.613 10.803 2.145) 15.295 12.149 ( 4.644 -2.664 1.130) 5.471 13.781 ( 7.368 -2.845 -2.887) 8.409 14.206 ( -4.445 -10.855 -0.332) 11.734 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -0.000 -22.619 -3.340) 22.864 1.742 ( -0.000 -25.091 -6.863) 26.012 2.486 ( 0.000 -0.020 9.450) 9.450 2.910 ( -0.000 -10.730 -7.876) 13.310 2.953 ( -0.000 -7.443 -0.638) 7.470 2.987 ( 0.000 -33.027 1.998) 33.088 3.357 ( -0.000 -21.481 -1.786) 21.555 3.403 ( 0.000 -2.047 1.785) 2.716 3.874 ( 0.000 -0.172 0.878) 0.894 4.032 ( -0.000 -13.157 0.036) 13.157 4.613 ( 0.000 -17.503 4.435) 18.057 5.233 ( -0.000 5.606 -0.377) 5.618 7.379 ( 0.000 -5.288 5.041) 7.306 8.604 ( 0.000 6.906 0.647) 6.936 8.771 ( 0.000 -4.940 1.463) 5.152 9.075 ( -0.000 -4.701 -1.170) 4.844 9.123 ( -0.000 -6.767 -6.394) 9.310 9.821 ( 0.000 -1.765 8.234) 8.421 9.846 ( -0.000 10.986 -1.601) 11.102 10.859 ( -0.000 19.224 -9.738) 21.550 11.450 ( 0.000 13.134 5.015) 14.059 12.078 ( 0.000 -2.411 1.240) 2.711 13.658 ( -0.000 -5.360 -2.959) 6.122 14.125 ( -0.000 -13.102 -2.498) 13.338 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.367 ( 0.000 -0.000 27.221) 27.221 0.367 ( 0.000 -0.000 27.221) 27.221 0.814 ( 0.000 -0.000 59.931) 59.931 2.184 ( -0.000 0.000 -10.584) 10.584 2.184 ( -0.000 0.000 -10.584) 10.584 2.740 ( 0.000 -0.000 6.819) 6.819 2.740 ( 0.000 -0.000 6.819) 6.819 3.352 ( -0.000 0.000 -1.755) 1.755 3.352 ( -0.000 0.000 -1.755) 1.755 3.964 ( -0.000 0.000 -23.671) 23.671 4.241 ( 0.000 -0.000 0.023) 0.023 5.496 ( 0.000 -0.000 4.773) 4.773 8.607 ( -0.000 0.000 -0.053) 0.053 8.607 ( -0.000 -0.000 -0.053) 0.053 8.910 ( 0.000 -0.000 0.126) 0.126 8.910 ( 0.000 -0.000 0.126) 0.126 9.200 ( -0.000 0.000 -0.445) 0.445 9.508 ( 0.000 -0.000 1.036) 1.036 10.231 ( 0.000 -0.000 1.309) 1.309 10.231 ( 0.000 -0.000 1.309) 1.309 11.989 ( -0.000 0.000 -1.087) 1.087 11.989 ( -0.000 0.000 -1.087) 1.087 13.124 ( 0.000 -0.000 0.691) 0.691 16.121 ( -0.000 0.000 -0.902) 0.902 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 20.364 11.757 15.591) 28.213 0.870 ( 21.485 12.404 21.656) 32.931 1.311 ( 31.963 18.454 30.221) 47.702 2.250 ( 6.948 4.012 -11.704) 14.190 2.301 ( 12.032 6.947 -10.335) 17.316 2.734 ( -1.093 -0.631 7.580) 7.685 2.925 ( 10.385 5.996 5.299) 13.110 3.356 ( 0.645 0.372 -1.716) 1.870 3.442 ( 8.060 4.654 -2.256) 9.577 3.913 ( 2.074 1.197 -19.887) 20.031 4.220 ( -1.218 -0.703 -1.829) 2.307 5.456 ( -3.705 -2.139 4.600) 6.282 7.542 ( -23.144 -13.362 30.934) 40.879 8.636 ( 2.179 1.258 0.221) 2.526 8.859 ( -1.122 -0.648 -7.500) 7.611 8.925 ( 1.519 0.877 -0.049) 1.755 9.168 ( -9.480 -5.473 4.169) 11.713 9.617 ( 7.487 4.323 -5.465) 10.228 10.179 ( -4.370 -2.523 1.332) 5.219 11.208 ( 13.371 7.720 -31.108) 34.729 12.003 ( 1.139 0.657 -1.089) 1.707 12.018 ( 3.032 1.751 -9.155) 9.802 13.296 ( 14.988 8.653 0.139) 17.307 14.480 ( -57.601 -33.256 73.927) 99.444 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 20.547 11.863 9.482) 25.550 1.366 ( 19.156 11.060 17.459) 28.180 2.128 ( 31.718 18.313 1.231) 36.646 2.420 ( 9.560 5.519 -13.824) 17.690 2.644 ( 19.882 11.479 -1.316) 22.996 2.733 ( -0.250 -0.144 9.781) 9.786 3.188 ( 10.878 6.280 7.140) 14.448 3.376 ( 1.512 0.873 -1.374) 2.222 3.682 ( 13.031 7.524 -2.949) 15.333 3.947 ( 1.234 0.713 -7.000) 7.143 4.248 ( 7.704 4.448 -10.207) 13.540 5.355 ( -5.831 -3.367 2.928) 7.343 7.375 ( -0.768 -0.444 8.148) 8.196 8.704 ( 3.622 2.091 0.197) 4.187 8.756 ( -6.445 -3.721 -8.973) 11.657 8.978 ( 3.030 1.749 0.012) 3.498 9.042 ( -1.832 -1.058 8.781) 9.032 9.744 ( 5.014 2.895 -7.003) 9.086 10.046 ( -7.480 -4.319 1.774) 8.818 11.082 ( -12.310 -7.107 -3.892) 14.738 11.862 ( -13.998 -8.082 -4.482) 16.773 12.032 ( 1.645 0.950 -1.412) 2.367 13.682 ( 12.695 7.330 0.456) 14.666 13.913 ( -7.293 -4.210 28.254) 29.482 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 17.141 9.896 5.913) 20.657 1.819 ( 17.898 10.333 9.830) 22.886 2.562 ( 4.037 2.331 -9.298) 10.401 2.606 ( 13.417 7.746 -14.168) 20.994 2.808 ( 6.123 3.535 5.848) 9.175 3.234 ( 27.352 15.792 8.281) 32.651 3.422 ( 2.705 1.562 -0.564) 3.174 3.437 ( 10.326 5.962 5.316) 13.054 3.904 ( -1.388 -0.801 0.243) 1.621 4.011 ( 14.922 8.615 -2.624) 17.429 4.544 ( 17.938 10.357 -9.559) 22.813 5.216 ( -6.266 -3.618 1.425) 7.374 7.440 ( 4.598 2.655 1.205) 5.445 8.588 ( -6.287 -3.630 -3.106) 7.897 8.796 ( 4.345 2.509 -0.141) 5.019 9.060 ( 4.050 2.338 0.359) 4.690 9.090 ( 4.087 2.360 5.179) 7.007 9.825 ( 3.695 2.133 -7.116) 8.297 9.858 ( -9.219 -5.323 2.294) 10.890 10.778 ( -13.266 -7.659 4.405) 15.939 11.504 ( -15.013 -8.668 -2.714) 17.546 12.069 ( 1.836 1.060 -1.800) 2.781 13.727 ( -0.816 -0.471 6.181) 6.252 14.140 ( 13.025 7.520 3.657) 15.478 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 12.417 7.169 2.631) 14.577 2.215 ( 15.506 8.953 4.007) 18.348 2.591 ( 0.413 0.238 -0.060) 0.480 2.796 ( 6.892 3.979 -9.811) 12.633 2.998 ( 9.055 5.228 -2.110) 10.667 3.496 ( 3.690 2.131 0.582) 4.301 3.611 ( 7.008 4.046 8.632) 11.832 3.671 ( 2.128 1.228 -1.912) 3.113 4.048 ( 16.876 9.743 -1.113) 19.519 4.373 ( 17.279 9.976 1.697) 20.025 4.889 ( 8.727 5.038 -2.721) 10.438 5.147 ( 4.324 2.497 -1.568) 5.234 7.564 ( 5.953 3.437 -0.235) 6.878 8.469 ( -3.872 -2.235 0.026) 4.471 8.894 ( 4.256 2.457 -0.621) 4.954 9.157 ( 4.249 2.453 0.954) 4.998 9.241 ( 8.326 4.807 2.396) 9.908 9.648 ( -9.387 -5.419 2.348) 11.090 9.890 ( 3.432 1.981 -5.769) 6.999 10.527 ( -9.515 -5.494 5.348) 12.219 11.195 ( -11.645 -6.723 -2.494) 13.676 12.107 ( 1.864 1.076 -1.920) 2.885 13.747 ( 1.446 0.835 2.136) 2.711 14.395 ( 8.873 5.123 1.580) 10.367 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 7.591 4.382 -0.598) 8.785 2.533 ( 11.899 6.870 -0.695) 13.757 2.602 ( 0.340 0.196 4.241) 4.259 2.910 ( 4.893 2.825 -2.666) 6.248 3.184 ( 7.715 4.454 -4.556) 10.006 3.585 ( 3.709 2.141 1.636) 4.585 3.633 ( -2.645 -1.527 -0.280) 3.067 3.720 ( 1.268 0.732 4.834) 5.051 4.376 ( 11.190 6.460 -5.050) 13.873 4.787 ( 14.173 8.183 4.649) 17.014 4.933 ( 3.277 1.892 0.021) 3.784 5.400 ( 12.726 7.347 -1.633) 14.785 7.701 ( 5.935 3.426 0.372) 6.863 8.408 ( -1.610 -0.929 0.487) 1.922 8.982 ( 3.498 2.019 -0.941) 4.147 9.245 ( 2.609 1.506 1.981) 3.605 9.458 ( -7.124 -4.113 1.217) 8.316 9.459 ( 9.995 5.770 0.036) 11.541 9.958 ( 3.329 1.922 -2.802) 4.756 10.369 ( -5.172 -2.986 3.352) 6.848 10.957 ( -9.147 -5.281 -1.621) 10.686 12.144 ( 1.752 1.011 -1.602) 2.580 13.792 ( 2.069 1.194 1.113) 2.636 14.555 ( 5.241 3.026 0.410) 6.066 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 3.721 2.148 -2.810) 5.134 2.624 ( 0.479 0.276 6.186) 6.211 2.739 ( 6.567 3.792 -4.405) 8.770 3.022 ( 4.954 2.860 3.380) 6.644 3.321 ( 5.233 3.021 -5.186) 7.963 3.578 ( -2.104 -1.215 0.272) 2.444 3.662 ( 2.561 1.478 2.354) 3.779 3.703 ( -2.691 -1.554 1.750) 3.566 4.569 ( 7.107 4.103 -2.393) 8.548 4.850 ( -1.485 -0.857 2.441) 2.983 5.224 ( 13.765 7.947 -0.496) 15.902 5.630 ( 7.041 4.065 1.364) 8.244 7.825 ( 4.470 2.581 1.020) 5.262 8.392 ( 0.036 0.021 0.034) 0.053 9.046 ( 2.302 1.329 -0.992) 2.837 9.231 ( -4.150 -2.396 2.808) 5.554 9.387 ( 0.799 0.461 -0.485) 1.042 9.666 ( 7.910 4.567 -2.342) 9.429 10.013 ( 1.004 0.579 1.615) 1.988 10.320 ( 0.953 0.550 0.471) 1.198 10.764 ( -7.803 -4.505 -0.798) 9.046 12.178 ( 1.408 0.813 -0.934) 1.875 13.839 ( 1.731 0.999 1.190) 2.326 14.642 ( 2.555 1.475 -0.569) 3.005 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 1.573 0.908 -3.446) 3.895 2.639 ( -0.681 -0.393 6.273) 6.322 2.830 ( 2.998 1.731 -4.263) 5.492 3.121 ( 1.791 1.034 4.738) 5.170 3.397 ( 2.414 1.394 -5.182) 5.885 3.540 ( -1.000 -0.578 -0.769) 1.388 3.646 ( -1.979 -1.143 1.467) 2.715 3.705 ( 0.625 0.361 2.690) 2.785 4.698 ( 4.542 2.623 -0.655) 5.286 4.807 ( -2.684 -1.550 1.824) 3.596 5.455 ( 6.392 3.690 -1.777) 7.592 5.721 ( 0.694 0.401 3.312) 3.407 7.893 ( 1.099 0.635 0.725) 1.462 8.404 ( 0.852 0.492 0.277) 1.022 9.080 ( 0.893 0.515 -1.094) 1.503 9.151 ( -2.527 -1.459 1.488) 3.276 9.413 ( 0.839 0.484 -0.118) 0.976 9.800 ( 4.585 2.647 -4.211) 6.765 9.999 ( -2.592 -1.496 3.978) 4.978 10.408 ( 5.585 3.225 -0.354) 6.459 10.598 ( -6.216 -3.589 -0.185) 7.180 12.202 ( 0.777 0.449 -0.200) 0.919 13.871 ( 0.716 0.414 1.542) 1.750 14.674 ( 0.566 0.327 -1.388) 1.534 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 0.717 0.414 -3.439) 3.537 2.611 ( -3.138 -1.812 5.492) 6.579 2.877 ( 1.830 1.056 -1.710) 2.718 3.087 ( -5.362 -3.096 2.740) 6.771 3.410 ( -0.300 -0.173 -4.498) 4.511 3.546 ( 1.728 0.997 -1.607) 2.562 3.628 ( -0.134 -0.077 1.990) 1.996 3.700 ( -1.622 -0.936 2.531) 3.149 4.741 ( -3.381 -1.952 2.229) 4.496 4.771 ( 2.047 1.182 -0.825) 2.503 5.478 ( -4.788 -2.764 -0.923) 5.605 5.699 ( -2.495 -1.441 2.761) 3.991 7.872 ( -2.912 -1.682 -0.560) 3.409 8.427 ( 0.894 0.516 1.681) 1.973 9.084 ( -0.431 -0.249 -1.275) 1.369 9.132 ( 0.796 0.459 0.809) 1.224 9.415 ( -0.642 -0.371 0.004) 0.741 9.866 ( 2.383 1.376 -5.553) 6.198 9.918 ( -5.511 -3.182 4.373) 7.721 10.419 ( -4.391 -2.535 0.200) 5.074 10.609 ( 6.910 3.989 0.555) 7.998 12.211 ( -0.062 -0.036 0.290) 0.299 13.876 ( -0.602 -0.348 1.867) 1.992 14.664 ( -1.140 -0.658 -2.017) 2.409 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 0.221 0.127 -2.472) 2.485 2.514 ( -6.148 -3.549 3.352) 7.850 2.850 ( -8.431 -4.867 5.328) 11.098 2.971 ( -0.520 -0.300 -3.578) 3.628 3.366 ( -2.802 -1.618 -2.719) 4.226 3.590 ( 1.659 0.958 0.284) 1.936 3.631 ( 0.027 0.015 -0.623) 0.623 3.644 ( -3.601 -2.079 1.693) 4.490 4.660 ( -4.462 -2.576 3.100) 6.013 4.789 ( -0.292 -0.168 -1.967) 1.995 5.244 ( -14.755 -8.519 0.770) 17.055 5.615 ( -5.817 -3.359 1.088) 6.805 7.769 ( -5.459 -3.152 -2.255) 6.695 8.450 ( 0.564 0.326 3.411) 3.473 9.048 ( -2.389 -1.379 -1.134) 2.982 9.189 ( 3.510 2.027 0.574) 4.094 9.393 ( -0.808 -0.467 -0.040) 0.934 9.755 ( -9.577 -5.529 3.980) 11.753 9.890 ( 0.990 0.572 -6.799) 6.894 10.352 ( -0.982 -0.567 1.988) 2.289 10.787 ( 8.208 4.739 0.809) 9.512 12.200 ( -0.926 -0.534 0.340) 1.122 13.853 ( -1.787 -1.032 2.044) 2.905 14.613 ( -3.034 -1.751 -2.352) 4.219 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( -10.787 -6.228 4.222) 13.152 2.465 ( 1.031 0.595 -5.015) 5.154 2.573 ( -15.269 -8.816 4.092) 18.100 2.999 ( 1.784 1.030 -1.047) 2.311 3.269 ( -5.591 -3.228 0.387) 6.467 3.553 ( -4.301 -2.483 0.081) 4.967 3.561 ( -4.376 -2.527 -1.472) 5.263 3.658 ( 2.198 1.269 0.065) 2.539 4.530 ( -8.370 -4.833 3.887) 10.417 4.653 ( -16.539 -9.549 -3.228) 19.368 4.949 ( -5.202 -3.003 0.706) 6.048 5.429 ( -10.499 -6.062 0.440) 12.131 7.632 ( -5.729 -3.307 -3.980) 7.720 8.471 ( 0.706 0.407 4.262) 4.340 8.974 ( -3.782 -2.184 -1.450) 4.602 9.231 ( -1.302 -0.752 1.433) 2.077 9.438 ( 5.875 3.392 -0.129) 6.785 9.519 ( -11.327 -6.540 3.938) 13.659 9.885 ( 0.070 0.040 -7.865) 7.865 10.390 ( 3.740 2.159 4.111) 5.963 10.985 ( 9.135 5.274 0.553) 10.562 12.171 ( -1.626 -0.939 -0.048) 1.878 13.807 ( -2.643 -1.526 2.049) 3.675 14.512 ( -5.456 -3.150 -2.165) 6.661 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( -15.390 -8.885 3.148) 18.047 2.193 ( -18.835 -10.874 4.385) 22.187 2.482 ( 1.334 0.770 -6.143) 6.333 3.020 ( -0.352 -0.203 -0.122) 0.424 3.111 ( -8.695 -5.020 4.017) 10.814 3.392 ( -10.420 -6.016 -2.264) 12.243 3.463 ( -3.214 -1.856 -1.398) 3.966 3.690 ( -1.629 -0.941 0.391) 1.922 4.094 ( -25.240 -14.573 2.908) 29.290 4.320 ( -11.791 -6.808 -1.632) 13.713 4.898 ( -5.587 -3.226 -2.286) 6.845 5.204 ( -5.620 -3.245 0.931) 6.556 7.500 ( -5.004 -2.889 -5.325) 7.858 8.510 ( 2.311 1.334 3.097) 4.088 8.876 ( -4.468 -2.580 -1.623) 5.408 9.166 ( -3.917 -2.262 1.399) 4.735 9.286 ( -9.465 -5.465 4.812) 11.942 9.623 ( 9.466 5.465 0.843) 10.963 9.862 ( -0.568 -0.328 -8.431) 8.456 10.547 ( 9.366 5.407 6.628) 12.684 11.207 ( 10.405 6.007 -0.946) 12.052 12.128 ( -2.040 -1.178 -0.678) 2.451 13.743 ( -3.398 -1.962 2.078) 4.440 14.351 ( -8.452 -4.880 -0.991) 9.810 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 0.000 22.511 16.691) 28.024 0.927 ( 0.000 25.875 20.067) 32.745 1.397 ( 0.000 34.258 33.978) 48.251 2.180 ( -0.000 5.145 -12.844) 13.836 2.312 ( -0.000 15.503 -11.139) 19.090 2.793 ( 0.000 1.642 8.167) 8.330 2.884 ( 0.000 9.067 5.732) 10.727 3.343 ( -0.000 0.214 -2.393) 2.403 3.439 ( -0.000 8.778 -2.311) 9.077 3.860 ( -0.000 2.960 -22.630) 22.823 4.215 ( -0.000 -1.711 -2.848) 3.322 5.468 ( 0.000 -4.452 5.900) 7.391 7.590 ( 0.000 -32.203 30.774) 44.543 8.620 ( -0.000 1.747 -0.363) 1.784 8.833 ( -0.000 -3.587 -8.130) 8.886 8.937 ( 0.000 2.301 0.369) 2.331 9.185 ( 0.000 -6.911 4.024) 7.997 9.587 ( -0.000 6.247 -5.661) 8.430 10.196 ( 0.000 -4.471 1.981) 4.890 11.257 ( -0.000 33.032 -34.025) 47.421 11.885 ( 0.000 -12.309 0.773) 12.334 11.988 ( -0.000 0.852 -1.631) 1.840 13.284 ( 0.000 14.542 1.092) 14.583 14.682 ( 0.000 -63.641 63.688) 90.035 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 12.984 22.151 11.813) 28.264 1.299 ( 10.083 19.564 19.022) 29.090 1.961 ( 15.635 32.578 9.151) 37.276 2.305 ( 9.289 7.786 -12.531) 17.433 2.522 ( 8.386 17.062 -4.842) 19.618 2.809 ( -2.092 4.761 8.874) 10.286 3.090 ( 9.159 7.963 6.826) 13.924 3.362 ( 1.876 1.331 -2.214) 3.192 3.584 ( 6.672 10.089 -4.001) 12.740 3.898 ( 3.383 5.316 -13.724) 15.101 4.196 ( 1.132 1.985 -8.336) 8.644 5.401 ( -3.379 -5.375 4.974) 8.065 7.392 ( -2.226 -8.231 13.530) 15.993 8.672 ( 3.028 2.721 -0.265) 4.080 8.747 ( -1.936 -6.630 -9.467) 11.719 8.971 ( 0.923 3.354 0.436) 3.506 9.115 ( -3.818 -0.660 8.725) 9.546 9.662 ( 4.151 2.460 -8.069) 9.402 10.120 ( -3.594 -4.646 2.376) 6.336 11.250 ( -13.274 1.237 -9.646) 16.455 11.746 ( 0.781 -19.952 -1.070) 19.996 12.059 ( 3.188 1.849 -4.575) 5.874 13.558 ( 12.538 15.034 0.916) 19.598 14.143 ( -17.884 -18.982 36.334) 44.725 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 12.540 20.825 8.170) 25.646 1.708 ( 12.673 16.357 12.539) 24.194 2.406 ( 12.393 9.326 -12.139) 19.696 2.533 ( 6.732 12.271 -14.566) 20.201 2.836 ( 1.701 8.097 9.268) 12.424 3.022 ( 19.615 22.927 9.383) 31.598 3.320 ( 8.305 3.797 4.166) 10.037 3.432 ( 3.254 5.879 0.226) 6.723 3.840 ( 12.725 9.737 -4.274) 16.584 3.922 ( -1.433 -1.393 -1.575) 2.544 4.366 ( 12.878 13.143 -12.637) 22.322 5.277 ( -5.455 -5.709 3.368) 8.584 7.391 ( 3.284 -0.031 3.845) 5.056 8.615 ( -3.570 -5.756 -5.594) 8.785 8.765 ( 3.706 4.261 -0.465) 5.666 9.037 ( 2.407 3.829 0.849) 4.602 9.108 ( -0.776 3.811 7.865) 8.774 9.723 ( 4.213 -1.136 -8.625) 9.666 10.003 ( -6.969 -1.604 2.561) 7.596 10.943 ( -15.201 -8.306 3.157) 17.608 11.496 ( -4.515 -21.130 -3.221) 21.846 12.094 ( -0.079 3.689 -2.500) 4.457 13.844 ( -5.131 7.409 5.276) 10.443 13.976 ( 10.949 1.535 9.402) 14.513 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 8.375 18.505 5.178) 20.961 2.096 ( 12.428 14.303 6.011) 19.878 2.588 ( 4.322 4.496 -5.960) 8.626 2.699 ( 6.054 6.963 -12.589) 15.608 2.979 ( 3.187 11.284 3.527) 12.244 3.450 ( 4.824 1.965 1.561) 5.438 3.568 ( 10.645 11.792 5.968) 16.970 3.604 ( 7.968 8.230 -0.013) 11.455 3.919 ( 6.019 4.263 0.462) 7.390 4.177 ( 16.378 9.414 -0.786) 18.907 4.742 ( 15.652 12.833 -7.270) 21.507 5.142 ( -3.812 -4.422 1.804) 6.111 7.489 ( 5.853 2.305 0.344) 6.300 8.502 ( -3.362 -3.506 -0.979) 4.955 8.871 ( 3.163 5.265 -0.755) 6.188 9.131 ( 3.562 4.319 0.678) 5.639 9.199 ( 3.722 6.389 5.251) 9.069 9.723 ( -1.376 -3.775 -3.733) 5.484 9.893 ( -4.506 2.424 -1.535) 5.342 10.637 ( -10.845 -9.401 6.181) 15.627 11.209 ( -5.509 -16.952 -3.638) 18.192 12.134 ( -0.121 5.565 -1.782) 5.845 13.803 ( -4.376 4.913 3.334) 7.376 14.249 ( 12.567 2.366 2.060) 12.953 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 3.330 15.993 1.944) 16.451 2.429 ( 10.366 11.898 0.942) 15.809 2.658 ( -0.840 6.487 0.904) 6.603 2.829 ( 5.935 2.959 -5.959) 8.915 3.164 ( 4.216 11.772 -1.707) 12.620 3.544 ( 3.338 1.979 2.581) 4.660 3.652 ( -1.463 -1.455 -2.131) 2.966 3.747 ( 2.110 6.802 4.887) 8.637 4.219 ( 13.557 8.049 -4.503) 16.397 4.589 ( 18.983 10.431 3.967) 22.020 4.937 ( -0.918 0.928 0.359) 1.354 5.224 ( 13.939 5.391 -2.213) 15.108 7.624 ( 6.581 2.967 -0.030) 7.219 8.427 ( -2.187 -2.113 1.032) 3.211 8.969 ( 2.267 5.431 -0.977) 5.966 9.235 ( 2.977 4.606 0.867) 5.552 9.372 ( 6.966 6.878 2.314) 10.059 9.590 ( -8.984 -0.599 1.077) 9.068 9.906 ( 3.023 1.541 -4.630) 5.740 10.424 ( -6.144 -7.295 5.068) 10.801 10.968 ( -4.284 -13.735 -2.545) 14.611 12.188 ( -0.825 7.648 -1.467) 7.831 13.803 ( -1.254 3.245 1.434) 3.763 14.444 ( 9.087 -0.568 0.588) 9.123 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( -1.286 13.632 -0.788) 13.715 2.673 ( 6.318 8.056 -3.442) 10.801 2.707 ( -2.506 8.653 4.345) 10.002 2.944 ( 6.066 1.508 0.489) 6.270 3.331 ( 2.704 10.849 -3.600) 11.746 3.576 ( -1.202 -1.579 2.690) 3.343 3.637 ( 1.631 0.154 0.056) 1.640 3.808 ( -3.432 7.069 1.721) 8.045 4.459 ( 9.454 4.036 -3.432) 10.837 4.855 ( 0.866 -1.082 3.448) 3.716 5.054 ( 14.304 8.073 0.220) 16.426 5.500 ( 11.873 2.871 0.153) 12.216 7.762 ( 5.884 2.736 0.819) 6.541 8.390 ( -0.491 -1.320 0.632) 1.543 9.048 ( 1.065 5.065 -1.015) 5.274 9.309 ( -1.036 3.920 2.115) 4.573 9.413 ( -4.843 -0.499 0.130) 4.871 9.600 ( 5.593 7.882 -0.627) 9.686 9.977 ( 4.056 0.954 -1.651) 4.482 10.304 ( -1.584 -4.869 2.519) 5.706 10.778 ( -3.365 -11.178 -1.253) 11.741 12.245 ( -2.237 9.543 -0.991) 9.852 13.823 ( 0.744 0.861 1.291) 1.721 14.557 ( 6.328 -2.815 -0.507) 6.944 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -4.112 11.784 -2.024) 12.644 2.739 ( -3.730 7.590 4.747) 9.699 2.804 ( 1.905 5.835 -4.515) 7.619 3.063 ( 5.428 0.665 2.781) 6.135 3.446 ( 0.587 8.130 -3.385) 8.826 3.541 ( -2.488 0.487 1.925) 3.183 3.650 ( 0.079 -1.316 0.944) 1.622 3.807 ( -5.122 8.408 0.934) 9.890 4.621 ( 6.777 1.973 -1.154) 7.153 4.830 ( -1.635 -1.971 2.201) 3.377 5.340 ( 10.736 3.954 -0.859) 11.473 5.664 ( 6.019 -1.595 2.533) 6.722 7.866 ( 3.202 1.274 1.414) 3.725 8.385 ( 1.046 -0.971 -0.272) 1.453 9.098 ( -0.339 4.291 -0.950) 4.408 9.250 ( -7.001 3.268 2.037) 7.990 9.409 ( 0.848 1.740 -0.230) 1.949 9.747 ( 4.395 4.516 -3.122) 7.032 10.020 ( -0.070 -0.612 2.402) 2.480 10.305 ( 5.690 -2.613 -0.036) 6.261 10.623 ( -3.278 -8.159 -0.445) 8.804 12.291 ( -3.930 10.551 -0.408) 11.267 13.847 ( 1.658 -1.166 1.660) 2.620 14.608 ( 4.313 -4.423 -1.377) 6.330 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -5.266 10.534 -2.414) 12.022 2.738 ( -6.137 6.829 4.763) 10.343 2.862 ( 0.869 3.771 -3.799) 5.423 3.119 ( -0.053 -1.376 2.522) 2.874 3.495 ( -5.326 7.916 -2.202) 9.792 3.506 ( 1.356 -1.764 -0.144) 2.229 3.641 ( -0.873 0.824 1.355) 1.810 3.806 ( -5.027 7.982 1.440) 9.542 4.724 ( 4.137 0.299 -0.655) 4.199 4.776 ( -2.699 -2.244 2.086) 4.083 5.471 ( 2.681 -1.491 -1.452) 3.394 5.691 ( 0.792 -4.949 3.639) 6.194 7.890 ( -0.949 -1.156 0.871) 1.730 8.401 ( 1.920 -1.052 -0.008) 2.190 9.117 ( -1.681 3.495 -0.998) 4.005 9.200 ( -4.271 5.832 1.517) 7.387 9.427 ( -0.428 0.917 -0.045) 1.012 9.827 ( 2.542 1.837 -4.588) 5.557 9.982 ( -3.568 -1.602 3.654) 5.353 10.376 ( 4.353 -7.028 -0.458) 8.280 10.540 ( 1.799 -1.172 0.326) 2.172 12.314 ( -5.445 10.251 0.038) 11.608 13.861 ( 1.411 -2.123 2.047) 3.269 14.615 ( 2.715 -5.544 -2.021) 6.496 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( -5.400 9.368 -2.540) 11.107 2.677 ( -9.407 5.327 3.836) 11.471 2.901 ( 0.680 2.346 -1.343) 2.787 3.034 ( -7.846 -2.096 1.799) 8.318 3.447 ( -5.055 4.608 -3.526) 7.695 3.541 ( 2.840 -1.360 0.253) 3.159 3.623 ( -2.587 0.280 2.301) 3.474 3.793 ( -6.172 7.972 0.631) 10.101 4.704 ( -3.408 -2.946 2.129) 4.982 4.768 ( 1.695 -0.858 -0.955) 2.127 5.371 ( -8.806 -7.612 -0.034) 11.640 5.635 ( -1.647 -6.212 2.364) 6.848 7.820 ( -4.461 -3.092 -0.570) 5.457 8.424 ( 2.020 -1.609 1.475) 2.974 9.102 ( -3.362 2.479 -0.978) 4.290 9.229 ( -1.263 8.651 1.363) 8.848 9.414 ( -1.537 0.328 0.026) 1.571 9.845 ( -1.548 -2.555 -2.346) 3.798 9.888 ( -4.923 0.066 0.111) 4.924 10.325 ( 0.799 -6.490 0.534) 6.560 10.651 ( 9.167 -0.377 0.762) 9.206 12.306 ( -6.396 8.658 0.148) 10.766 13.861 ( 0.207 -1.627 2.274) 2.804 14.584 ( 1.051 -6.411 -2.383) 6.920 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -9.068 3.867 2.246) 10.110 2.548 ( -8.952 6.949 -2.513) 11.608 2.792 ( -15.141 -1.962 5.215) 16.134 2.966 ( 1.845 1.184 -3.463) 4.099 3.393 ( -6.474 4.834 -3.199) 8.690 3.515 ( -2.818 -5.797 3.026) 7.120 3.622 ( 2.392 0.566 0.408) 2.491 3.744 ( -8.388 6.559 -0.375) 10.654 4.599 ( -5.222 -4.995 1.082) 7.307 4.751 ( -3.547 -3.078 -0.766) 4.758 5.070 ( -13.837 -8.424 1.167) 16.241 5.505 ( -6.157 -8.094 0.923) 10.211 7.691 ( -5.943 -3.421 -2.213) 7.205 8.444 ( 2.031 -2.135 2.994) 4.200 9.048 ( -5.124 1.743 -1.103) 5.524 9.288 ( -2.802 4.748 1.230) 5.649 9.423 ( 1.717 5.458 0.706) 5.765 9.670 ( -11.193 -4.609 3.152) 12.508 9.865 ( -0.056 0.129 -7.258) 7.260 10.322 ( 4.422 -3.233 2.537) 6.037 10.818 ( 11.420 -1.871 0.769) 11.598 12.268 ( -6.546 6.243 -0.113) 9.047 13.847 ( -1.599 0.206 2.296) 2.806 14.512 ( -1.108 -7.272 -2.313) 7.711 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -17.058 -0.796 3.166) 17.368 2.459 ( -18.364 -1.989 3.072) 18.725 2.541 ( -5.990 6.573 -3.122) 9.425 3.000 ( 1.430 0.356 -3.470) 3.770 3.279 ( -11.441 2.117 2.172) 11.836 3.404 ( -2.723 -6.338 -0.247) 6.902 3.633 ( -10.459 4.337 -0.331) 11.327 3.676 ( 2.336 0.522 0.513) 2.448 4.405 ( -22.787 -12.755 -2.469) 26.230 4.423 ( -10.771 -7.437 3.528) 13.556 4.934 ( -1.095 0.950 -0.812) 1.662 5.280 ( -9.177 -8.715 0.194) 12.658 7.555 ( -5.712 -2.406 -3.803) 7.272 8.470 ( 2.722 -1.854 3.384) 4.722 8.961 ( -6.343 1.215 -1.266) 6.581 9.232 ( -5.071 -0.318 0.584) 5.114 9.425 ( -11.218 -4.759 4.601) 13.025 9.584 ( 4.856 10.634 1.186) 11.750 9.843 ( -0.158 -0.496 -8.644) 8.659 10.427 ( 9.160 -0.316 4.870) 10.379 11.006 ( 13.270 -2.877 -0.045) 13.578 12.210 ( -5.890 3.896 -0.600) 7.087 13.821 ( -3.751 2.705 2.259) 5.147 14.389 ( -3.937 -8.253 -1.554) 9.276 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 0.000 23.717 11.629) 26.414 1.473 ( 0.000 22.183 17.672) 28.361 2.228 ( 0.000 35.427 0.893) 35.438 2.242 ( -0.000 6.114 -12.796) 14.182 2.643 ( 0.000 22.138 0.336) 22.141 2.888 ( 0.000 4.612 7.681) 8.959 3.130 ( 0.000 12.565 7.864) 14.823 3.342 ( -0.000 0.911 -2.615) 2.769 3.630 ( -0.000 11.836 -7.048) 13.775 3.915 ( -0.000 7.944 -8.598) 11.706 4.196 ( -0.000 5.794 -10.988) 12.422 5.382 ( 0.000 -6.622 5.379) 8.531 7.354 ( 0.000 -6.380 10.639) 12.405 8.671 ( -0.000 3.524 -0.452) 3.553 8.675 ( -0.000 -6.743 -8.119) 10.555 9.002 ( 0.000 3.997 0.476) 4.025 9.173 ( 0.000 1.797 9.135) 9.310 9.636 ( -0.000 2.289 -9.120) 9.403 10.077 ( 0.000 -8.461 2.477) 8.816 11.382 ( -0.000 -6.175 -4.260) 7.502 11.545 ( -0.000 -17.407 -3.375) 17.731 12.007 ( -0.000 1.808 -1.986) 2.685 13.593 ( 0.000 12.648 4.153) 13.313 14.187 ( 0.000 -13.683 23.615) 27.293 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 10.582 21.695 9.568) 25.965 1.771 ( 5.507 20.888 13.117) 25.272 2.320 ( 5.624 7.140 -11.539) 14.689 2.535 ( 4.621 16.376 -17.460) 24.380 2.929 ( 1.676 15.283 9.491) 18.068 3.047 ( 9.550 21.454 10.182) 25.596 3.284 ( 2.125 8.796 4.216) 9.983 3.407 ( 5.473 5.028 0.068) 7.433 3.776 ( 5.287 11.114 -6.644) 13.986 3.950 ( -1.629 2.811 -1.281) 3.493 4.325 ( 5.900 17.034 -13.127) 22.300 5.299 ( -3.130 -6.709 4.421) 8.623 7.350 ( 1.910 -0.587 5.150) 5.524 8.589 ( -1.398 -4.688 -5.553) 7.401 8.742 ( 3.557 4.419 -0.556) 5.700 9.053 ( 0.958 4.594 0.815) 4.763 9.201 ( -2.223 4.604 9.388) 10.690 9.645 ( 1.808 0.346 -10.271) 10.435 10.010 ( 1.111 -7.801 2.892) 8.393 11.123 ( -13.858 -14.381 5.550) 20.728 11.354 ( -3.914 -14.240 -6.247) 16.035 12.076 ( 4.237 1.901 -2.553) 5.299 13.796 ( 10.416 5.632 5.169) 12.920 14.077 ( -8.275 2.035 9.212) 12.549 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 9.703 17.328 8.333) 21.537 2.124 ( 8.759 21.554 6.014) 24.031 2.492 ( 8.878 5.791 -8.777) 13.762 2.681 ( 3.446 8.915 -15.150) 17.913 3.087 ( 0.977 12.862 6.579) 14.480 3.374 ( 6.087 2.012 1.701) 6.632 3.528 ( 10.396 18.750 4.281) 21.863 3.591 ( 6.039 8.913 2.119) 10.973 3.899 ( 1.449 3.120 -0.174) 3.445 4.054 ( 8.701 13.447 -2.122) 16.157 4.634 ( 11.485 17.635 -8.609) 22.738 5.174 ( -4.861 -5.743 3.144) 8.154 7.424 ( 4.442 2.506 1.828) 5.418 8.514 ( -2.260 -2.802 -1.896) 4.068 8.863 ( 4.486 5.721 -0.890) 7.324 9.126 ( 2.065 4.634 1.342) 5.248 9.255 ( -0.052 7.555 7.090) 10.361 9.660 ( 2.555 -0.720 -9.157) 9.534 9.964 ( -0.847 -4.126 2.403) 4.849 10.751 ( -13.570 -13.325 6.069) 19.963 11.115 ( -5.482 -14.525 -4.834) 16.260 12.161 ( 2.942 4.359 -1.664) 5.516 13.958 ( -2.060 0.819 4.708) 5.204 14.078 ( 6.274 7.071 1.292) 9.541 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 7.486 13.724 5.435) 16.550 2.477 ( 5.330 21.997 0.841) 22.649 2.677 ( 7.348 5.991 -3.245) 10.021 2.783 ( 2.752 6.994 -9.061) 11.772 3.243 ( 1.012 12.320 3.831) 12.941 3.496 ( 5.778 2.272 1.064) 6.299 3.669 ( -1.691 -0.172 -1.346) 2.168 3.777 ( 4.989 9.020 2.857) 10.696 4.091 ( 9.876 10.727 -3.828) 15.075 4.409 ( 15.440 13.878 3.874) 21.119 4.964 ( 6.317 11.350 -3.286) 13.399 5.070 ( 2.487 -2.905 1.192) 4.005 7.549 ( 5.864 3.809 0.856) 7.045 8.447 ( -2.484 -2.360 0.663) 3.490 8.989 ( 3.046 6.802 -0.911) 7.509 9.224 ( 3.583 4.758 0.358) 5.967 9.376 ( 2.708 8.775 4.353) 10.163 9.672 ( 0.263 0.636 -4.515) 4.568 9.907 ( -2.525 -0.717 -0.718) 2.721 10.463 ( -7.612 -10.408 5.435) 13.993 10.877 ( -4.308 -14.454 -3.597) 15.505 12.261 ( 2.061 7.974 -1.033) 8.301 13.912 ( -5.688 4.387 1.273) 7.295 14.262 ( 9.883 -1.315 0.951) 10.016 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( 3.629 12.041 2.886) 12.902 2.714 ( 0.817 15.633 -3.676) 16.080 2.850 ( 2.117 12.593 2.520) 13.016 2.879 ( 3.155 5.887 -3.935) 7.752 3.370 ( 2.273 6.166 1.328) 6.704 3.601 ( 2.328 -0.369 -0.635) 2.441 3.633 ( -1.683 5.810 1.607) 6.259 3.923 ( 0.723 9.524 0.849) 9.590 4.330 ( 9.498 5.627 -4.272) 11.837 4.781 ( 11.037 5.828 4.499) 13.267 4.973 ( 1.037 3.746 0.523) 3.922 5.306 ( 13.249 3.016 -0.644) 13.604 7.694 ( 6.002 4.117 1.416) 7.415 8.389 ( -1.515 -2.415 0.624) 2.919 9.092 ( 1.155 7.257 -0.808) 7.392 9.329 ( 2.997 4.419 -0.017) 5.340 9.482 ( -0.609 3.071 1.055) 3.304 9.670 ( -2.804 8.026 0.916) 8.551 9.903 ( 3.598 -0.191 -3.284) 4.875 10.299 ( -3.669 -6.637 3.695) 8.436 10.680 ( -1.431 -13.792 -2.048) 14.016 12.379 ( 0.260 11.817 -0.671) 11.839 13.864 ( -3.903 2.006 0.955) 4.491 14.384 ( 8.340 -5.364 -0.185) 9.917 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( -1.968 11.644 0.861) 11.840 2.819 ( -0.871 8.637 -2.314) 8.984 2.963 ( -3.083 13.351 -0.430) 13.709 3.012 ( 2.747 8.004 0.627) 8.485 3.434 ( 1.975 -1.299 1.343) 2.718 3.613 ( 1.961 0.941 -1.322) 2.545 3.704 ( -3.591 11.504 2.663) 12.342 3.992 ( -4.066 10.750 -0.591) 11.508 4.510 ( 7.854 2.580 -2.158) 8.544 4.839 ( -1.049 -1.459 3.226) 3.692 5.184 ( 11.535 4.687 -0.100) 12.451 5.507 ( 9.747 -2.706 1.551) 10.234 7.826 ( 4.256 3.224 2.510) 5.900 8.354 ( 0.275 -2.461 -1.029) 2.682 9.164 ( -0.784 6.826 -0.768) 6.914 9.404 ( 0.059 4.315 0.675) 4.368 9.431 ( -5.420 2.262 0.933) 5.946 9.743 ( 1.108 6.315 -1.312) 6.544 9.985 ( 4.834 0.382 -0.423) 4.868 10.211 ( -0.446 -4.887 0.985) 5.005 10.551 ( 0.615 -10.396 -0.657) 10.435 12.489 ( -2.962 14.992 -0.392) 15.287 13.825 ( -1.148 -1.352 1.498) 2.321 14.445 ( 6.869 -8.037 -1.185) 10.639 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( -5.276 10.860 -0.521) 12.085 2.863 ( -2.315 6.928 0.153) 7.306 3.007 ( -6.912 12.849 -1.402) 14.657 3.110 ( 1.598 4.185 -0.094) 4.481 3.444 ( 2.217 -2.988 1.018) 3.857 3.644 ( -1.305 0.994 1.623) 2.307 3.746 ( -6.044 13.868 0.665) 15.142 4.008 ( -6.365 11.484 -0.591) 13.143 4.638 ( 5.775 0.440 -0.856) 5.854 4.801 ( -2.206 -1.820 2.403) 3.735 5.366 ( 7.251 -1.018 -0.814) 7.367 5.588 ( 4.998 -7.254 2.964) 9.294 7.895 ( 0.338 0.797 2.886) 3.013 8.347 ( 2.075 -2.224 -2.150) 3.725 9.197 ( -2.331 5.907 -0.735) 6.393 9.368 ( -6.052 7.100 2.340) 9.619 9.445 ( -0.055 1.891 -0.089) 1.893 9.802 ( 1.457 2.033 -2.664) 3.654 10.024 ( -1.170 0.573 1.543) 2.020 10.197 ( 5.502 -8.102 -0.713) 9.819 10.494 ( 1.329 -4.224 -0.043) 4.428 12.560 ( -6.896 16.044 -0.194) 17.464 13.809 ( 1.479 -3.285 2.124) 4.182 14.461 ( 5.762 -9.694 -1.920) 11.440 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( -6.616 10.164 -1.173) 12.184 2.872 ( -4.863 5.345 2.452) 7.631 2.984 ( -6.974 9.479 -3.623) 12.313 3.141 ( -2.940 3.724 0.596) 4.782 3.468 ( 3.419 -2.106 0.594) 4.060 3.584 ( -6.811 1.426 1.552) 7.130 3.762 ( -7.027 10.404 1.112) 12.604 4.004 ( -7.142 11.091 -0.601) 13.206 4.709 ( 2.203 -1.460 -1.914) 3.263 4.741 ( -2.143 -1.849 3.214) 4.283 5.387 ( -1.195 -6.210 -0.850) 6.381 5.563 ( 1.690 -9.330 3.299) 10.039 7.864 ( -3.644 -1.860 1.808) 4.473 8.365 ( 2.665 -2.009 -1.264) 3.569 9.199 ( -3.650 5.052 -0.701) 6.272 9.378 ( -3.549 10.470 2.501) 11.334 9.445 ( -1.343 0.795 -0.030) 1.561 9.818 ( 0.467 -1.281 -2.873) 3.180 9.985 ( -4.276 1.008 1.050) 4.517 10.197 ( 4.497 -9.078 -0.700) 10.155 10.516 ( 4.719 -2.274 0.455) 5.259 12.564 ( -9.925 13.903 -0.118) 17.083 13.822 ( 2.606 -2.170 2.473) 4.197 14.445 ( 4.639 -10.509 -2.327) 11.721 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( -8.448 7.788 -0.144) 11.492 2.789 ( -9.587 4.300 0.280) 10.510 2.975 ( -2.696 6.519 -2.902) 7.628 3.068 ( -11.617 5.242 1.716) 12.860 3.476 ( -4.482 -2.445 0.964) 5.196 3.516 ( 2.837 -0.477 -0.006) 2.877 3.710 ( -9.407 7.463 1.876) 12.154 3.967 ( -8.829 8.767 -0.833) 12.470 4.625 ( -4.119 -5.622 -1.148) 7.063 4.757 ( 0.410 0.369 1.641) 1.731 5.204 ( -10.506 -8.511 0.471) 13.529 5.482 ( -1.266 -9.879 1.927) 10.145 7.758 ( -5.795 -2.739 0.339) 6.419 8.387 ( 2.374 -2.215 0.537) 3.291 9.167 ( -5.354 4.169 -0.654) 6.817 9.396 ( -4.159 2.258 -0.088) 4.733 9.480 ( 0.663 10.122 2.766) 10.514 9.764 ( -3.607 -4.523 -1.329) 5.936 9.909 ( -5.712 2.146 -2.107) 6.456 10.195 ( 4.862 -5.836 0.232) 7.599 10.604 ( 9.203 -4.557 0.786) 10.300 12.499 ( -10.887 9.518 -0.179) 14.462 13.861 ( 1.620 1.390 2.409) 3.218 14.401 ( 2.964 -10.705 -2.290) 11.342 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( -14.564 -0.200 2.493) 14.777 2.713 ( -7.860 8.755 -3.560) 12.292 2.848 ( -19.880 4.691 2.985) 20.643 2.992 ( -0.677 3.170 -3.928) 5.093 3.388 ( -2.196 -5.733 2.142) 6.502 3.508 ( -7.673 3.320 0.358) 8.368 3.650 ( -1.347 2.591 1.166) 3.145 3.869 ( -10.846 5.788 -0.476) 12.303 4.468 ( -6.539 -7.174 -3.254) 10.238 4.665 ( -13.990 -5.597 3.544) 15.479 4.980 ( -4.808 -0.489 0.370) 4.846 5.324 ( -6.233 -9.696 0.482) 11.536 7.630 ( -6.175 -1.721 -1.012) 6.489 8.408 ( 2.531 -2.234 2.030) 3.939 9.095 ( -6.908 2.926 -0.623) 7.528 9.325 ( -5.340 0.397 -0.610) 5.389 9.570 ( -7.451 -1.560 5.268) 9.257 9.653 ( -0.003 8.817 -1.081) 8.883 9.842 ( -2.801 0.668 -5.802) 6.477 10.262 ( 8.145 -3.340 2.181) 9.070 10.740 ( 12.368 -5.376 0.349) 13.491 12.390 ( -9.873 5.118 -0.357) 11.127 13.907 ( -0.807 5.053 2.012) 5.499 14.322 ( 0.387 -10.285 -1.630) 10.421 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 0.000 21.016 9.197) 22.940 1.964 ( 0.000 21.001 12.209) 24.292 2.294 ( -0.000 4.083 -9.302) 10.158 2.605 ( -0.000 12.427 -21.214) 24.585 3.029 ( 0.000 6.352 3.370) 7.190 3.229 ( 0.000 24.539 12.915) 27.731 3.366 ( -0.000 2.893 -1.430) 3.227 3.447 ( 0.000 18.005 5.955) 18.964 3.829 ( -0.000 10.145 -4.139) 10.957 4.016 ( -0.000 8.437 -2.410) 8.775 4.440 ( -0.000 21.136 -10.882) 23.773 5.271 ( 0.000 -6.060 4.130) 7.333 7.348 ( 0.000 1.681 4.347) 4.660 8.555 ( -0.000 -2.317 -4.258) 4.848 8.751 ( -0.000 4.679 -0.342) 4.691 9.094 ( 0.000 5.008 0.476) 5.031 9.296 ( 0.000 5.954 10.176) 11.790 9.615 ( -0.000 0.528 -10.886) 10.899 9.894 ( 0.000 -11.044 2.609) 11.348 11.051 ( 0.000 -21.441 7.952) 22.869 11.319 ( -0.000 -7.188 -8.084) 10.818 12.041 ( -0.000 2.479 -2.050) 3.217 13.758 ( 0.000 2.794 5.349) 6.035 14.202 ( 0.000 6.056 4.370) 7.468 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 8.460 18.171 7.742) 21.487 2.218 ( 4.182 18.910 7.202) 20.662 2.387 ( 7.570 5.192 -5.809) 10.863 2.676 ( 2.079 7.662 -17.769) 19.462 3.151 ( 5.894 7.567 1.295) 9.678 3.360 ( -1.238 5.764 3.520) 6.866 3.528 ( 7.641 9.351 4.578) 12.914 3.637 ( 1.258 11.366 1.078) 11.486 3.950 ( 0.994 13.651 0.760) 13.709 4.137 ( 0.983 17.861 -1.709) 17.969 4.666 ( 4.625 19.125 -7.021) 20.892 5.204 ( -3.128 -3.330 2.852) 5.386 7.404 ( 2.228 4.157 2.945) 5.560 8.522 ( -1.437 -0.979 -2.280) 2.868 8.835 ( 4.075 5.181 -0.484) 6.609 9.153 ( 0.898 5.062 0.866) 5.213 9.365 ( -1.611 7.806 8.846) 11.907 9.606 ( 1.179 0.745 -10.559) 10.650 9.842 ( 5.287 -10.233 2.792) 11.851 10.802 ( -7.697 -17.397 5.727) 19.868 11.134 ( -9.193 -7.941 -5.467) 13.322 12.117 ( 5.242 3.098 -1.720) 6.328 13.850 ( 6.657 0.154 3.031) 7.316 14.232 ( -5.188 8.582 2.003) 10.226 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 6.423 14.548 6.092) 17.030 2.530 ( 12.540 12.493 -0.668) 17.713 2.600 ( 7.120 12.281 -0.522) 14.205 2.762 ( 4.545 5.531 -11.163) 13.261 3.360 ( 4.618 11.560 2.975) 12.799 3.404 ( 3.155 1.105 1.192) 3.549 3.678 ( 0.144 -0.295 -1.435) 1.473 3.756 ( 7.312 7.459 3.239) 10.936 4.108 ( 1.540 13.826 -4.400) 14.591 4.406 ( 6.071 21.099 4.271) 22.366 4.913 ( 7.888 9.552 -2.730) 12.686 5.127 ( -5.469 3.265 0.898) 6.433 7.513 ( 3.993 5.667 2.200) 7.273 8.471 ( -2.700 -1.719 -0.373) 3.222 8.975 ( 5.569 5.848 -0.728) 8.108 9.226 ( 1.778 4.942 0.832) 5.318 9.455 ( 0.155 9.351 5.111) 10.658 9.631 ( 2.923 1.924 -7.538) 8.310 9.857 ( 5.087 -7.245 2.109) 9.100 10.510 ( -9.386 -12.278 4.180) 16.010 10.873 ( -9.804 -9.053 -3.957) 13.919 12.256 ( 6.184 5.846 -0.943) 8.562 13.956 ( 4.892 -1.409 0.336) 5.102 14.222 ( -4.418 6.166 1.776) 7.791 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 5.260 11.828 3.585) 13.432 2.756 ( 5.578 4.425 -2.037) 7.406 2.893 ( 5.814 13.201 -2.676) 14.671 2.917 ( 8.576 13.810 -2.781) 16.492 3.410 ( -1.671 2.307 4.408) 5.248 3.556 ( 3.096 1.415 -0.921) 3.527 3.696 ( 2.996 6.591 0.013) 7.240 3.956 ( 5.955 8.168 0.732) 10.134 4.261 ( 4.741 8.794 -4.202) 10.838 4.712 ( 7.286 13.183 4.022) 15.590 5.017 ( 0.279 -0.795 1.179) 1.450 5.180 ( 4.029 9.604 -1.170) 10.480 7.655 ( 4.905 6.243 2.389) 8.291 8.399 ( -2.716 -2.900 -0.087) 3.974 9.121 ( 4.163 6.682 -0.536) 7.891 9.314 ( 2.902 4.244 -0.225) 5.146 9.535 ( -0.685 5.052 0.536) 5.126 9.730 ( 4.579 6.764 -0.999) 8.229 9.860 ( 0.803 -3.286 -0.636) 3.442 10.301 ( -3.749 -7.637 3.936) 9.374 10.617 ( -7.704 -10.377 -3.108) 13.292 12.435 ( 5.765 9.823 -0.395) 11.396 13.966 ( -3.030 0.504 -0.571) 3.124 14.226 ( 2.131 -2.133 1.244) 3.262 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( 2.032 9.181 1.054) 9.462 2.866 ( 4.051 3.648 0.747) 5.503 3.053 ( 1.341 11.501 -2.565) 11.860 3.188 ( 1.854 16.839 -2.679) 17.151 3.403 ( -0.731 -1.172 4.006) 4.238 3.571 ( 2.455 -0.345 -0.531) 2.535 3.861 ( 1.673 13.062 0.979) 13.205 4.108 ( 2.043 8.667 -0.694) 8.931 4.421 ( 6.183 5.469 -2.566) 8.645 4.858 ( 0.021 1.645 3.643) 3.998 5.083 ( 5.354 5.843 -0.122) 7.926 5.326 ( 7.349 -1.034 0.879) 7.473 7.803 ( 4.361 5.878 3.356) 8.052 8.328 ( -1.376 -3.673 -1.585) 4.230 9.236 ( 1.144 7.270 -0.358) 7.368 9.397 ( 2.779 2.595 -0.746) 3.875 9.541 ( -2.884 2.917 0.647) 4.153 9.819 ( -2.536 2.656 -1.043) 3.817 9.885 ( 5.902 1.911 0.933) 6.274 10.235 ( -2.699 -0.062 1.263) 2.980 10.418 ( -0.412 -11.968 -1.675) 12.092 12.635 ( 3.542 14.103 -0.142) 14.542 13.884 ( -5.871 -0.245 0.488) 5.897 14.242 ( 5.441 -8.646 -0.331) 10.221 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( -1.205 5.704 -1.187) 5.949 2.976 ( 1.895 5.705 3.821) 7.123 3.153 ( -1.556 9.921 -2.367) 10.317 3.269 ( -5.766 10.989 -4.952) 13.361 3.387 ( 0.549 -2.920 3.720) 4.761 3.666 ( 2.917 6.698 0.913) 7.362 3.982 ( -3.586 14.026 1.279) 14.534 4.195 ( -1.878 9.099 -0.861) 9.331 4.555 ( 4.966 3.344 -1.697) 6.223 4.842 ( -3.070 0.722 2.947) 4.316 5.228 ( 6.945 -0.275 -0.373) 6.961 5.406 ( 6.986 -8.200 1.965) 10.950 7.913 ( 1.127 3.950 4.614) 6.178 8.282 ( 1.210 -3.617 -3.702) 5.315 9.298 ( -1.804 6.849 -0.504) 7.100 9.449 ( 1.020 1.289 -0.154) 1.651 9.521 ( -3.282 4.657 1.449) 5.879 9.806 ( -0.162 0.166 -0.385) 0.450 9.990 ( 4.864 -0.118 1.744) 5.168 10.136 ( -5.835 -2.487 -2.768) 6.921 10.399 ( 5.096 -4.072 0.118) 6.524 12.812 ( -1.782 17.489 -0.190) 17.580 13.788 ( -3.122 -2.939 1.748) 4.630 14.238 ( 6.432 -12.110 -1.548) 13.799 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( -2.513 4.344 -1.432) 5.219 3.037 ( -3.640 6.357 5.088) 8.919 3.173 ( -2.660 3.896 -4.710) 6.666 3.257 ( -6.381 10.948 -3.101) 13.046 3.393 ( 2.661 -2.410 2.624) 4.447 3.727 ( -4.962 6.508 1.471) 8.315 4.020 ( -7.698 12.842 1.209) 15.022 4.223 ( -5.277 9.433 -0.710) 10.832 4.652 ( 3.338 1.913 -1.564) 4.153 4.787 ( -4.047 -0.162 2.539) 4.781 5.295 ( 4.263 -5.768 -0.589) 7.196 5.413 ( 4.603 -11.234 2.703) 12.438 7.922 ( -3.504 0.260 4.159) 5.445 8.289 ( 3.416 -2.020 -3.639) 5.385 9.314 ( -3.381 6.009 -0.578) 6.919 9.465 ( -0.275 1.010 0.587) 1.200 9.533 ( -2.415 6.872 1.349) 7.408 9.804 ( -0.211 -1.134 1.116) 1.605 10.011 ( 0.273 -8.330 -2.117) 8.599 10.073 ( 1.359 3.392 -0.629) 3.708 10.438 ( 2.332 -2.173 -0.025) 3.188 12.887 ( -9.575 16.337 -0.347) 18.939 13.756 ( 2.464 -2.289 2.556) 4.224 14.220 ( 6.809 -13.474 -2.186) 15.254 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( -2.855 3.274 -1.503) 4.596 2.972 ( -9.208 2.091 2.165) 9.687 3.165 ( -5.228 8.989 -2.290) 10.647 3.241 ( -4.375 5.406 -1.837) 7.193 3.440 ( 4.034 -1.013 1.686) 4.488 3.622 ( -12.097 1.820 2.002) 12.396 3.980 ( -10.299 9.576 1.122) 14.107 4.196 ( -7.852 7.841 -0.544) 11.110 4.631 ( -3.503 -4.776 -2.933) 6.609 4.777 ( -0.186 4.114 3.047) 5.123 5.245 ( -2.845 -6.816 -0.526) 7.405 5.368 ( 2.714 -11.133 2.874) 11.814 7.838 ( -5.729 -1.586 2.640) 6.505 8.324 ( 2.922 -1.183 -1.737) 3.599 9.299 ( -4.780 4.914 -0.412) 6.868 9.454 ( -1.883 0.115 -0.356) 1.920 9.591 ( -0.159 8.885 1.707) 9.049 9.763 ( -2.590 -2.990 0.563) 3.996 9.952 ( 1.668 -6.368 -0.540) 6.605 10.127 ( -0.081 4.940 -1.979) 5.323 10.442 ( 3.485 -5.524 0.366) 6.542 12.809 ( -13.876 9.810 -0.223) 16.995 13.832 ( 4.625 3.005 2.326) 5.986 14.197 ( 6.387 -12.978 -2.122) 14.619 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( -11.777 0.118 1.164) 11.835 2.856 ( -3.522 2.320 -1.894) 4.623 3.117 ( -8.713 6.031 -2.425) 10.871 3.201 ( -9.930 7.152 -1.146) 12.291 3.402 ( -8.797 -6.048 3.318) 11.180 3.509 ( 3.757 0.066 1.485) 4.041 3.858 ( -12.299 4.702 0.700) 13.186 4.102 ( -10.197 4.560 -0.316) 11.174 4.498 ( -5.071 -4.500 -2.899) 7.374 4.792 ( -3.811 1.002 2.417) 4.623 5.087 ( -8.249 -2.453 0.257) 8.610 5.300 ( -0.704 -7.578 1.720) 7.802 7.725 ( -6.286 -0.896 1.559) 6.538 8.354 ( 2.184 -1.055 0.040) 2.426 9.239 ( -6.586 2.567 -0.178) 7.071 9.406 ( -3.732 0.368 -0.926) 3.862 9.664 ( -3.960 -4.667 -1.560) 6.316 9.700 ( 1.146 8.710 2.788) 9.217 9.910 ( -2.151 -2.464 -0.796) 3.366 10.158 ( 0.422 2.897 -0.563) 2.981 10.495 ( 9.881 -5.687 0.021) 11.400 12.635 ( -13.502 3.804 -0.115) 14.028 13.948 ( 2.530 5.232 0.941) 5.887 14.177 ( 4.699 -9.159 -0.827) 10.327 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 0.000 15.619 5.120) 16.437 2.335 ( -0.000 3.772 -2.665) 4.619 2.397 ( 0.000 18.302 6.145) 19.306 2.690 ( -0.000 6.185 -14.915) 16.146 3.135 ( -0.000 3.999 -2.423) 4.676 3.457 ( 0.000 6.245 1.110) 6.342 3.544 ( 0.000 6.900 6.192) 9.271 3.701 ( 0.000 3.333 0.773) 3.421 4.113 ( -0.000 17.732 -2.874) 17.964 4.335 ( 0.000 23.789 2.647) 23.936 4.787 ( -0.000 13.918 -3.651) 14.389 5.232 ( 0.000 3.247 1.034) 3.408 7.444 ( 0.000 6.168 3.237) 6.966 8.528 ( -0.000 0.066 -2.288) 2.289 8.847 ( 0.000 4.993 -0.116) 4.995 9.197 ( 0.000 5.117 0.452) 5.137 9.486 ( 0.000 8.769 9.677) 13.060 9.585 ( -0.000 1.686 -10.273) 10.410 9.676 ( 0.000 -11.835 2.257) 12.048 10.714 ( 0.000 -14.976 3.576) 15.397 11.137 ( -0.000 -8.525 -3.983) 9.410 12.085 ( -0.000 2.808 -1.821) 3.346 13.811 ( 0.000 1.914 1.664) 2.536 14.362 ( 0.000 7.537 1.686) 7.723 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 10.203 7.525 -1.758) 12.799 2.445 ( 4.521 10.197 4.638) 12.080 2.614 ( 6.006 12.422 -1.552) 13.885 2.743 ( 1.526 7.678 -5.159) 9.376 3.244 ( 8.860 3.318 -3.223) 9.994 3.501 ( -1.991 6.424 3.420) 7.545 3.644 ( 3.611 1.204 -1.203) 3.992 3.736 ( 1.986 3.333 4.617) 6.031 4.247 ( -1.468 14.280 -5.661) 15.431 4.592 ( 0.668 23.480 4.792) 23.974 4.896 ( 2.245 4.914 -0.628) 5.438 5.278 ( -3.168 11.381 -0.891) 11.847 7.535 ( 1.813 7.562 3.113) 8.376 8.500 ( -2.353 -1.026 -1.699) 3.078 8.935 ( 4.399 4.905 -0.223) 6.592 9.255 ( 0.903 4.822 0.687) 4.954 9.552 ( -0.618 3.157 1.903) 3.738 9.602 ( 1.838 4.259 -5.845) 7.462 9.667 ( 6.525 -5.161 4.985) 9.699 10.536 ( -5.978 -11.345 2.107) 12.996 10.959 ( -8.934 -8.021 -3.190) 12.423 12.178 ( 7.127 3.629 -1.276) 8.099 13.865 ( 3.466 0.862 0.136) 3.574 14.389 ( -5.062 6.303 1.679) 8.257 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 8.636 6.188 0.311) 10.629 2.668 ( 9.136 9.570 1.807) 13.353 2.802 ( 8.750 3.342 -5.240) 10.732 2.916 ( 7.063 13.082 0.631) 14.880 3.426 ( 5.918 2.301 -0.419) 6.364 3.542 ( 0.286 3.437 1.427) 3.732 3.676 ( 2.956 2.737 -0.045) 4.029 3.892 ( 8.705 4.998 1.978) 10.231 4.332 ( -1.552 11.189 -4.474) 12.150 4.798 ( 0.666 12.018 4.210) 12.752 4.976 ( 2.615 5.125 -0.286) 5.760 5.330 ( -4.946 12.651 -0.768) 13.605 7.662 ( 3.157 8.030 3.058) 9.154 8.424 ( -3.623 -2.814 -1.227) 4.749 9.078 ( 6.496 4.646 -0.336) 7.994 9.324 ( 1.479 4.531 0.440) 4.787 9.566 ( 1.418 -0.208 -3.564) 3.841 9.726 ( 7.362 4.457 -2.450) 8.948 9.745 ( 2.996 1.345 5.928) 6.777 10.323 ( -7.229 -8.057 2.061) 11.019 10.703 ( -10.976 -6.874 -2.881) 13.268 12.375 ( 10.114 6.288 -0.540) 11.922 13.920 ( 3.214 -1.798 -1.239) 3.886 14.328 ( -8.180 3.784 1.961) 9.224 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 6.281 3.703 0.005) 7.292 2.856 ( 2.385 8.334 1.984) 8.893 3.035 ( 11.808 6.358 -2.011) 13.561 3.174 ( 9.759 6.819 -1.041) 11.951 3.470 ( -2.234 3.387 0.238) 4.064 3.543 ( 0.462 0.785 0.708) 1.153 3.872 ( 9.435 8.558 0.210) 12.740 4.099 ( 7.896 6.037 -0.080) 9.939 4.410 ( 1.159 7.666 -2.003) 8.008 4.874 ( 1.264 1.104 2.595) 3.090 5.087 ( 1.684 8.056 -0.334) 8.237 5.339 ( -5.309 6.476 0.304) 8.380 7.808 ( 3.821 7.749 3.328) 9.259 8.326 ( -3.328 -4.079 -1.760) 5.551 9.232 ( 6.110 4.443 -0.179) 7.557 9.389 ( 1.244 3.467 -0.161) 3.687 9.583 ( 0.874 0.563 -2.201) 2.434 9.792 ( 1.907 -1.313 1.096) 2.561 9.895 ( 3.394 7.132 0.325) 7.905 10.189 ( 0.873 -6.004 2.995) 6.766 10.452 ( -10.770 -4.483 -2.899) 12.020 12.633 ( 10.528 10.003 -0.028) 14.522 13.924 ( 0.673 -3.711 -1.975) 4.257 14.203 ( -8.153 -0.991 2.053) 8.466 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( 3.051 3.138 0.627) 4.421 2.968 ( 2.401 6.330 0.806) 6.818 3.235 ( 3.451 6.711 -1.769) 7.751 3.299 ( 2.283 -1.818 0.934) 3.064 3.441 ( -1.810 1.537 -1.183) 2.653 3.680 ( 6.130 11.095 0.645) 12.692 4.098 ( 5.820 10.028 0.615) 11.611 4.244 ( 2.262 5.655 -1.281) 6.224 4.522 ( 4.325 5.258 -0.458) 6.824 4.908 ( 0.537 2.090 1.818) 2.822 5.163 ( 1.191 1.976 -0.261) 2.322 5.281 ( -2.887 -3.456 0.828) 4.579 7.948 ( 2.586 6.896 4.489) 8.625 8.230 ( -1.554 -5.055 -3.598) 6.396 9.361 ( 3.072 4.985 0.037) 5.855 9.431 ( 1.090 1.450 -0.509) 1.884 9.592 ( -0.758 1.656 -0.117) 1.825 9.785 ( -0.376 -1.442 -1.615) 2.198 9.970 ( 0.682 2.760 4.520) 5.340 10.195 ( -0.506 -9.718 -2.539) 10.057 10.302 ( -0.343 5.347 -0.381) 5.371 12.917 ( 8.339 14.051 0.153) 16.339 13.856 ( -4.607 -2.747 -0.794) 5.422 14.061 ( -2.320 -8.878 0.667) 9.200 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.966 ( -2.231 4.812 -0.187) 5.307 3.070 ( 4.412 2.115 1.626) 5.156 3.243 ( -5.004 0.714 -2.361) 5.579 3.314 ( 2.927 -1.730 0.637) 3.459 3.458 ( -2.472 6.919 -0.162) 7.349 3.853 ( 0.594 8.889 0.338) 8.915 4.241 ( -3.478 11.096 -0.783) 11.655 4.311 ( 2.376 3.092 1.205) 4.081 4.637 ( 3.007 5.377 -1.354) 6.308 4.913 ( -6.202 5.787 1.675) 8.646 5.167 ( 2.025 -6.043 0.206) 6.376 5.215 ( 4.679 -10.836 0.847) 11.833 8.008 ( -3.692 2.464 5.759) 7.271 8.194 ( 3.922 -2.452 -5.330) 7.057 9.416 ( -1.914 4.865 -0.364) 5.241 9.465 ( 1.517 0.476 0.185) 1.600 9.601 ( -0.443 3.066 -0.025) 3.098 9.769 ( 1.552 -3.142 0.776) 3.589 9.979 ( -3.463 -2.836 3.215) 5.510 10.089 ( 0.235 0.282 -4.010) 4.027 10.390 ( 2.768 1.729 -0.047) 3.264 13.155 ( -0.408 16.707 -0.225) 16.714 13.739 ( -3.764 -2.433 1.922) 4.877 13.969 ( 4.639 -13.826 -1.674) 14.679 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( -3.684 2.550 0.023) 4.481 3.130 ( -6.895 -1.402 -2.472) 7.458 3.169 ( 3.985 2.592 1.913) 5.124 3.357 ( 3.021 -0.792 -0.653) 3.190 3.447 ( -6.254 5.584 0.842) 8.426 3.850 ( -8.624 3.765 0.550) 9.427 4.214 ( -7.621 5.329 -0.301) 9.304 4.355 ( -3.091 3.880 0.830) 5.030 4.664 ( -4.586 0.061 -2.755) 5.350 4.875 ( -4.078 7.413 2.081) 8.713 5.140 ( 5.204 -9.622 0.924) 10.978 5.221 ( 4.279 -6.572 0.929) 7.898 7.931 ( -5.702 -1.310 3.509) 6.822 8.255 ( 4.053 0.482 -2.849) 4.978 9.413 ( -3.289 3.584 -0.244) 4.871 9.473 ( -0.660 -0.247 -0.056) 0.707 9.635 ( 0.636 3.071 -1.665) 3.551 9.782 ( 2.648 -3.088 4.426) 6.011 9.870 ( -3.777 -3.081 -0.861) 4.949 10.152 ( 3.661 3.863 -2.034) 5.698 10.398 ( -1.930 -1.636 -0.087) 2.531 13.146 ( -14.522 8.309 -0.174) 16.732 13.784 ( 6.262 5.149 2.315) 8.431 13.934 ( 7.639 -13.663 -2.144) 15.799 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( -3.019 0.973 -0.001) 3.172 2.973 ( -9.030 -1.810 -1.251) 9.295 3.259 ( 2.561 2.098 1.605) 3.679 3.306 ( -8.167 0.029 -2.659) 8.589 3.439 ( 2.092 -0.493 1.621) 2.692 3.648 ( -15.809 -0.481 1.286) 15.869 4.083 ( -10.991 -0.320 0.256) 10.998 4.278 ( -7.253 -0.693 -0.683) 7.318 4.562 ( -5.459 1.333 -1.857) 5.918 4.851 ( -2.973 -1.640 1.305) 3.638 5.172 ( -1.251 1.306 -0.673) 1.929 5.224 ( 3.392 -1.558 2.953) 4.760 7.828 ( -5.770 -0.690 2.846) 6.471 8.312 ( 2.416 0.659 -1.426) 2.882 9.358 ( -5.463 0.125 0.117) 5.466 9.452 ( -1.546 0.341 -0.736) 1.746 9.639 ( -0.545 -3.205 -4.059) 5.200 9.797 ( -1.280 2.295 7.076) 7.548 9.843 ( 2.730 -0.410 -1.672) 3.228 10.270 ( 1.467 8.517 -2.361) 8.959 10.307 ( -0.260 -7.769 0.409) 7.784 12.912 ( -16.055 0.240 0.159) 16.057 13.901 ( 4.485 -5.549 -2.129) 7.446 14.022 ( 8.762 5.300 1.951) 10.425 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -0.000 2.701 -3.291) 4.257 2.525 ( 0.000 10.964 6.821) 12.913 2.635 ( -0.000 5.198 -9.461) 10.795 2.844 ( 0.000 13.382 4.802) 14.217 3.179 ( -0.000 2.365 -3.951) 4.604 3.595 ( 0.000 6.610 1.251) 6.727 3.603 ( -0.000 -0.366 -0.432) 0.566 3.749 ( 0.000 0.322 4.169) 4.181 4.383 ( -0.000 12.537 -5.484) 13.684 4.800 ( 0.000 12.995 5.312) 14.039 4.938 ( -0.000 10.442 -1.050) 10.495 5.433 ( -0.000 14.102 -1.239) 14.156 7.608 ( 0.000 8.670 3.381) 9.306 8.508 ( -0.000 -1.286 -2.719) 3.008 8.940 ( 0.000 4.361 0.134) 4.363 9.293 ( 0.000 4.228 0.649) 4.278 9.461 ( 0.000 -10.518 1.288) 10.597 9.602 ( -0.000 3.792 -6.892) 7.866 9.717 ( 0.000 10.485 7.621) 12.962 10.491 ( -0.000 -8.692 0.348) 8.699 10.952 ( -0.000 -8.832 -2.280) 9.122 12.133 ( -0.000 2.698 -1.385) 3.033 13.858 ( -0.000 2.509 -0.325) 2.530 14.495 ( 0.000 5.087 1.688) 5.359 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 12.118 2.583 -1.125) 12.441 2.662 ( 2.944 5.512 -2.619) 6.776 2.709 ( 6.290 5.610 0.540) 8.445 2.975 ( -0.093 10.769 2.083) 10.969 3.299 ( 10.259 4.282 -1.375) 11.201 3.579 ( -1.361 0.033 0.189) 1.374 3.672 ( 0.821 2.831 -0.026) 2.948 3.796 ( 5.913 0.884 2.371) 6.432 4.468 ( -1.980 10.449 -4.032) 11.373 4.854 ( -0.024 0.077 3.596) 3.597 5.088 ( -0.745 17.202 -0.841) 17.238 5.533 ( -3.706 12.403 -0.718) 12.964 7.714 ( 1.402 8.661 3.147) 9.321 8.455 ( -3.185 -2.478 -2.477) 4.735 9.020 ( 4.412 3.682 0.075) 5.747 9.343 ( 1.220 3.386 0.973) 3.728 9.428 ( 6.360 -7.966 -0.628) 10.212 9.645 ( 2.190 3.646 -3.832) 5.725 9.834 ( -0.084 10.022 5.814) 11.587 10.371 ( -5.382 -5.770 -0.188) 7.892 10.791 ( -7.472 -7.886 -2.030) 11.052 12.242 ( 9.297 3.223 -0.879) 9.879 13.885 ( 0.451 1.272 -1.027) 1.695 14.494 ( -5.502 3.630 1.828) 6.841 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 9.261 3.469 2.042) 10.098 2.782 ( 13.945 1.842 -4.137) 14.662 2.900 ( 6.591 6.546 3.827) 10.046 3.083 ( 4.779 4.421 -2.292) 6.902 3.497 ( 2.685 3.083 -1.528) 4.364 3.560 ( 0.636 2.031 1.743) 2.751 3.754 ( 8.972 2.931 -0.466) 9.450 3.968 ( 10.921 2.249 0.802) 11.179 4.510 ( -2.764 8.222 -2.312) 8.978 4.853 ( 0.497 -1.756 2.263) 2.907 5.207 ( -2.525 12.370 -1.033) 12.667 5.538 ( -7.588 8.068 -0.226) 11.078 7.836 ( 2.681 7.692 2.466) 8.510 8.353 ( -4.501 -3.380 -1.646) 5.865 9.150 ( 6.701 2.683 0.036) 7.218 9.401 ( 1.540 2.947 0.398) 3.348 9.488 ( 7.290 -4.410 -2.168) 8.792 9.728 ( 4.575 1.694 -0.284) 4.887 9.935 ( 0.322 7.946 2.803) 8.432 10.210 ( -7.353 -3.964 0.768) 8.389 10.576 ( -8.805 -4.866 -2.012) 10.259 12.487 ( 14.272 4.977 -0.267) 15.117 13.881 ( -0.601 -1.414 -1.735) 2.318 14.390 ( -10.141 1.724 1.994) 10.478 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( 5.912 1.334 0.660) 6.096 3.012 ( 2.893 6.131 0.690) 6.815 3.128 ( 13.969 3.389 -0.254) 14.377 3.202 ( 6.890 -1.575 1.055) 7.146 3.460 ( -2.491 -1.331 -2.637) 3.864 3.673 ( 5.315 7.404 0.263) 9.118 3.998 ( 12.742 4.064 -0.230) 13.376 4.188 ( 10.566 2.975 -0.163) 10.978 4.540 ( -0.778 5.964 -0.437) 6.030 4.858 ( 2.521 -2.407 1.172) 3.677 5.236 ( -4.431 5.956 -0.820) 7.469 5.431 ( -11.048 2.791 -0.250) 11.398 7.965 ( 3.900 6.021 1.183) 7.271 8.236 ( -4.796 -3.757 -0.691) 6.132 9.291 ( 7.047 1.644 0.152) 7.238 9.446 ( 0.613 2.186 0.051) 2.271 9.558 ( 4.328 -1.113 -1.927) 4.867 9.806 ( 1.276 1.925 -0.319) 2.331 10.002 ( 0.054 2.985 1.988) 3.587 10.077 ( -1.683 -5.754 1.101) 6.095 10.418 ( -6.183 1.042 -1.417) 6.428 12.808 ( 15.954 7.032 0.192) 17.436 13.833 ( -1.219 -3.754 -2.263) 4.550 14.197 ( -13.360 -0.714 2.093) 13.542 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( 6.099 0.787 0.376) 6.161 3.073 ( -1.731 4.029 0.714) 4.443 3.233 ( 3.779 -3.341 -0.365) 5.057 3.315 ( -1.028 1.587 0.152) 1.897 3.464 ( 5.605 1.255 -0.741) 5.792 3.858 ( 6.891 5.117 -0.311) 8.588 4.227 ( 9.625 2.138 1.125) 9.923 4.335 ( 2.590 4.206 -2.102) 5.368 4.620 ( 3.938 4.352 1.118) 5.975 4.920 ( 7.707 -2.077 0.419) 7.993 5.171 ( -6.133 -0.365 -0.218) 6.148 5.227 ( -12.855 -1.407 -0.754) 12.954 8.085 ( 5.120 0.198 -4.202) 6.627 8.120 ( -5.359 0.208 4.239) 6.836 9.412 ( 5.321 0.621 0.241) 5.363 9.467 ( -0.288 1.739 -0.091) 1.766 9.604 ( 2.062 0.401 -0.379) 2.134 9.782 ( -4.653 1.350 -1.322) 5.022 9.998 ( -0.179 -6.591 2.840) 7.179 10.054 ( 1.676 1.786 -1.084) 2.678 10.391 ( -0.147 2.963 -0.227) 2.976 13.151 ( 14.852 7.770 0.377) 16.766 13.769 ( -0.881 -3.663 -2.512) 4.528 13.943 ( -13.811 -3.480 2.152) 14.404 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.038 ( -3.416 -0.832 1.023) 3.661 3.061 ( 3.802 0.141 -1.105) 3.962 3.255 ( -1.775 0.174 0.016) 1.784 3.286 ( 1.441 0.510 0.097) 1.532 3.538 ( 0.043 0.168 -0.022) 0.175 3.946 ( -0.118 -0.052 -0.012) 0.129 4.319 ( 0.243 0.142 -0.034) 0.284 4.384 ( -0.253 -0.065 -0.006) 0.261 4.732 ( 2.239 2.131 0.200) 3.097 5.010 ( -4.906 -6.854 -0.377) 8.437 5.030 ( -1.857 -0.908 0.019) 2.067 5.085 ( 3.494 4.299 0.202) 5.544 7.999 ( -3.765 -4.217 -0.009) 5.653 8.200 ( 3.386 3.831 0.017) 5.112 9.461 ( 0.252 0.365 -0.095) 0.453 9.476 ( -0.237 -0.447 0.082) 0.513 9.655 ( 2.416 2.629 0.002) 3.571 9.711 ( -2.330 -2.474 0.005) 3.398 9.925 ( -2.164 -2.352 0.002) 3.196 10.113 ( 2.155 2.314 -0.004) 3.162 10.416 ( 0.188 0.231 0.001) 0.298 13.376 ( 0.062 0.053 0.000) 0.082 13.705 ( -1.726 -1.980 0.004) 2.627 13.785 ( 1.651 1.903 -0.004) 2.519 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( -3.563 -1.489 1.113) 4.019 3.046 ( -3.100 -3.645 -2.567) 5.430 3.263 ( 0.203 3.891 3.272) 5.088 3.325 ( 2.018 -1.696 -2.418) 3.577 3.462 ( -4.970 -4.514 0.701) 6.751 3.847 ( -8.794 -4.336 0.224) 9.807 4.229 ( -9.557 -6.216 0.901) 11.436 4.325 ( -1.652 -3.448 -1.377) 4.064 4.686 ( -5.847 2.342 -1.736) 6.533 4.843 ( -2.611 -10.512 1.608) 10.950 5.151 ( 6.633 9.856 1.074) 11.928 5.208 ( 3.079 4.565 -0.060) 5.507 7.905 ( -3.733 -2.134 1.626) 4.597 8.281 ( 2.486 2.592 -1.053) 3.743 9.420 ( -3.562 -3.262 0.181) 4.833 9.464 ( -0.110 -0.148 -0.402) 0.442 9.629 ( -3.056 -3.614 -2.045) 5.155 9.742 ( 4.056 0.859 1.430) 4.386 9.908 ( -1.091 4.603 1.854) 5.081 10.162 ( 3.391 -2.370 -1.264) 4.326 10.396 ( -2.717 1.625 -0.262) 3.177 13.154 ( -14.646 -7.942 0.297) 16.663 13.727 ( 5.615 -4.877 -1.171) 7.529 13.982 ( 8.412 12.981 0.863) 15.493 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -0.000 1.406 -0.952) 1.698 2.660 ( -0.000 1.799 -3.661) 4.080 2.718 ( 0.000 6.117 2.509) 6.612 3.118 ( 0.000 11.205 2.291) 11.437 3.210 ( -0.000 2.172 -1.223) 2.493 3.584 ( -0.000 -0.858 -0.480) 0.983 3.709 ( 0.000 4.408 0.119) 4.410 3.726 ( 0.000 -3.415 0.733) 3.493 4.572 ( -0.000 8.494 -2.783) 8.938 4.852 ( 0.000 -1.498 2.659) 3.052 5.259 ( -0.000 15.074 -1.388) 15.138 5.677 ( -0.000 9.952 -0.623) 9.972 7.791 ( 0.000 7.831 2.659) 8.270 8.457 ( -0.000 -2.198 -2.924) 3.658 9.013 ( 0.000 2.795 0.403) 2.824 9.282 ( 0.000 -7.424 1.342) 7.545 9.370 ( -0.000 2.883 -0.426) 2.914 9.661 ( -0.000 3.954 -2.557) 4.709 9.942 ( 0.000 8.573 4.755) 9.803 10.377 ( -0.000 -2.293 -1.272) 2.622 10.771 ( -0.000 -8.757 -1.360) 8.862 12.176 ( -0.000 2.083 -0.859) 2.253 13.902 ( -0.000 2.142 -1.180) 2.446 14.578 ( 0.000 2.626 1.854) 3.214 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 13.777 1.315 0.180) 13.841 2.694 ( 2.494 1.601 -0.176) 2.969 2.828 ( 6.762 3.435 0.390) 7.595 3.119 ( -3.418 4.260 -0.824) 5.523 3.410 ( 12.007 6.033 0.394) 13.443 3.566 ( -0.653 -0.665 0.239) 0.962 3.680 ( 0.298 -2.014 -1.392) 2.466 3.820 ( 7.571 1.274 0.143) 7.678 4.623 ( -2.004 6.460 -1.472) 6.922 4.839 ( -0.176 -1.929 1.738) 2.602 5.364 ( -2.230 10.326 -1.623) 10.688 5.716 ( -4.633 6.064 -0.795) 7.673 7.874 ( 1.249 5.657 1.365) 5.951 8.397 ( -3.722 -1.875 -1.511) 4.434 9.076 ( 4.303 1.853 0.382) 4.701 9.289 ( 7.507 -4.973 -0.157) 9.006 9.405 ( 1.209 1.993 -0.084) 2.333 9.705 ( 1.341 2.999 -0.390) 3.309 10.013 ( -0.561 4.927 2.570) 5.586 10.319 ( -6.092 1.111 -0.672) 6.229 10.634 ( -5.112 -7.033 -1.182) 8.774 12.292 ( 10.923 2.020 -0.452) 11.118 13.902 ( -1.745 0.959 -1.549) 2.522 14.551 ( -5.895 1.427 1.921) 6.363 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( 7.148 -0.132 -0.851) 7.200 2.811 ( 17.350 2.557 3.166) 17.821 2.996 ( 9.138 0.990 0.652) 9.215 3.121 ( 0.617 1.746 -1.147) 2.178 3.493 ( -2.669 -0.311 -2.511) 3.677 3.658 ( 2.430 3.271 0.293) 4.085 3.766 ( 15.755 -0.316 -1.172) 15.801 3.997 ( 11.887 0.579 0.423) 11.908 4.631 ( -2.845 4.553 -0.250) 5.374 4.818 ( 0.038 -2.302 0.664) 2.396 5.376 ( -4.804 5.015 -1.223) 7.051 5.634 ( -9.222 1.930 -1.310) 9.513 7.946 ( 2.579 2.043 -1.268) 3.526 8.304 ( -5.202 -0.602 1.205) 5.373 9.185 ( 6.464 0.880 0.380) 6.535 9.412 ( 9.714 -1.600 -1.547) 9.966 9.444 ( 1.736 0.823 -0.021) 1.922 9.763 ( 2.978 1.390 0.938) 3.417 10.032 ( -0.658 0.760 0.688) 1.218 10.183 ( -10.407 0.531 0.505) 10.433 10.503 ( -4.430 -1.556 -0.786) 4.760 12.558 ( 17.098 2.012 -0.008) 17.216 13.854 ( -3.462 -0.329 -1.912) 3.969 14.417 ( -11.152 0.173 1.933) 11.320 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( 5.642 -0.061 0.948) 5.722 3.103 ( 8.084 2.242 -3.434) 9.065 3.112 ( 4.481 -3.277 2.567) 6.116 3.212 ( 11.017 1.089 3.506) 11.612 3.435 ( -2.624 0.349 -2.953) 3.966 3.746 ( 7.349 -0.567 -1.237) 7.474 4.033 ( 14.108 -0.185 -0.690) 14.126 4.217 ( 12.030 0.136 0.117) 12.031 4.630 ( -0.865 2.242 1.582) 2.877 4.808 ( 2.161 -2.192 -0.804) 3.182 5.297 ( -7.120 0.411 -0.634) 7.160 5.445 ( -12.620 -0.910 -1.860) 12.789 7.985 ( 2.990 -3.340 -4.912) 6.650 8.233 ( -4.466 2.677 4.455) 6.852 9.307 ( 6.985 0.075 0.441) 6.999 9.469 ( 0.859 0.076 -0.079) 0.866 9.549 ( 5.867 1.051 -0.897) 6.027 9.828 ( 3.072 -0.047 -2.387) 3.891 9.978 ( -7.230 -3.391 2.713) 8.434 10.064 ( -0.323 2.087 0.649) 2.209 10.438 ( -3.169 0.689 -0.056) 3.244 12.883 ( 18.818 -0.095 0.263) 18.820 13.789 ( -3.148 0.816 -2.073) 3.856 14.192 ( -15.010 -0.707 1.839) 15.139 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( 4.714 -1.881 -0.338) 5.087 3.106 ( -0.538 -4.637 3.762) 5.995 3.190 ( 2.806 2.887 -3.470) 5.315 3.349 ( -0.959 1.188 1.608) 2.218 3.455 ( 6.582 -1.777 -1.368) 6.953 3.854 ( 7.259 -5.497 -0.604) 9.126 4.212 ( 8.355 -3.506 0.089) 9.062 4.360 ( 4.593 -1.447 -0.488) 4.840 4.645 ( 2.881 -3.898 2.862) 5.629 4.887 ( 8.011 0.202 -1.763) 8.205 5.148 ( -10.129 -0.280 -1.499) 10.243 5.227 ( -8.965 0.612 -0.785) 9.020 7.957 ( 1.022 -6.032 -4.586) 7.646 8.234 ( -1.028 4.419 3.799) 5.918 9.412 ( 4.915 -0.892 0.188) 4.999 9.472 ( 0.041 -0.994 0.206) 1.016 9.625 ( 1.810 1.310 1.451) 2.664 9.806 ( -6.647 1.676 -2.409) 7.266 9.871 ( 2.213 -4.936 -1.679) 5.664 10.136 ( 1.718 4.970 2.740) 5.929 10.397 ( -0.476 -2.454 0.151) 2.504 13.145 ( 14.591 -8.229 0.035) 16.752 13.797 ( 1.256 7.306 -1.520) 7.568 13.922 ( -15.709 0.277 1.496) 15.783 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 0.000 0.754 0.659) 1.002 2.695 ( 0.000 2.064 2.856) 3.524 2.783 ( -0.000 0.708 -2.801) 2.889 3.255 ( 0.000 1.858 3.216) 3.714 3.269 ( -0.000 3.492 -3.467) 4.921 3.565 ( -0.000 -1.178 -0.541) 1.296 3.659 ( -0.000 -1.870 -0.729) 2.007 3.764 ( -0.000 1.309 -1.084) 1.700 4.691 ( -0.000 4.354 -0.337) 4.367 4.824 ( 0.000 -2.106 0.892) 2.287 5.462 ( -0.000 5.988 -1.589) 6.196 5.798 ( -0.000 2.623 -1.615) 3.080 7.906 ( 0.000 2.337 0.168) 2.343 8.420 ( -0.000 -0.130 -0.863) 0.873 9.050 ( 0.000 0.694 0.789) 1.051 9.181 ( -0.000 -2.884 -0.348) 2.905 9.409 ( 0.000 1.098 0.082) 1.102 9.723 ( 0.000 2.461 1.046) 2.674 10.049 ( 0.000 0.793 0.315) 0.853 10.408 ( -0.000 4.989 -0.279) 4.997 10.604 ( -0.000 -6.925 -0.622) 6.953 12.204 ( -0.000 1.040 -0.334) 1.093 13.927 ( -0.000 0.902 -1.666) 1.895 14.617 ( 0.000 0.565 1.950) 2.030 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 13.423 0.143 0.776) 13.446 2.746 ( 2.394 2.541 5.081) 6.165 2.836 ( 7.261 -1.724 -3.507) 8.246 3.161 ( -3.757 0.089 -0.695) 3.822 3.476 ( 13.354 -0.692 -1.110) 13.418 3.538 ( -1.036 -1.346 -1.631) 2.355 3.654 ( 0.622 1.028 -0.213) 1.220 3.831 ( 7.280 -0.271 -0.815) 7.331 4.707 ( -1.886 2.178 0.924) 3.026 4.801 ( -0.283 -2.024 -0.364) 2.076 5.470 ( -2.701 0.792 -0.968) 2.976 5.758 ( -4.977 -0.878 -2.534) 5.653 7.916 ( 0.879 -1.534 -1.488) 2.311 8.391 ( -3.765 1.345 0.894) 4.097 9.097 ( 4.378 0.134 0.756) 4.445 9.231 ( 7.933 -0.583 -1.247) 8.052 9.425 ( 1.087 0.106 0.118) 1.099 9.753 ( 0.764 1.386 2.533) 2.987 10.035 ( -0.458 -2.195 -1.593) 2.751 10.365 ( -8.497 0.202 0.431) 8.510 10.547 ( -2.037 0.928 -0.277) 2.256 12.315 ( 11.439 0.352 -0.034) 11.445 13.906 ( -2.470 0.171 -1.882) 3.110 14.569 ( -6.089 -0.392 1.959) 6.408 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( 11.220 -1.126 0.269) 11.280 2.877 ( 11.190 2.028 3.404) 11.871 2.949 ( 9.026 -4.630 -0.494) 10.156 3.145 ( 2.552 -0.089 0.045) 2.554 3.490 ( -3.087 1.289 -2.193) 4.000 3.611 ( 5.591 -5.676 -2.477) 8.343 3.775 ( 12.954 -0.036 -0.741) 12.975 3.997 ( 12.274 -0.752 0.436) 12.305 4.677 ( -2.717 -0.968 2.711) 3.958 4.777 ( -0.113 -0.869 -2.235) 2.400 5.384 ( -4.906 -4.152 -0.317) 6.435 5.608 ( -9.222 -3.206 -3.087) 10.240 7.898 ( 1.395 -4.912 -3.235) 6.044 8.340 ( -4.295 2.410 2.433) 5.493 9.190 ( 6.384 -0.650 0.654) 6.450 9.408 ( 10.859 1.739 -1.726) 11.132 9.446 ( 1.582 -0.399 -0.076) 1.633 9.782 ( 1.050 -0.380 2.298) 2.555 10.001 ( 0.705 -3.371 -1.266) 3.669 10.187 ( -10.420 -0.507 0.716) 10.457 10.518 ( -4.453 3.046 0.100) 5.397 12.561 ( 16.887 -1.693 0.205) 16.973 13.853 ( -3.147 1.068 -1.996) 3.877 14.415 ( -11.328 -1.126 1.868) 11.536 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( 4.675 -0.906 1.400) 4.964 2.984 ( 5.353 -7.559 -1.549) 9.391 3.151 ( 12.093 0.311 2.090) 12.276 3.229 ( 6.030 -0.590 1.857) 6.337 3.453 ( -2.705 2.594 -2.194) 4.343 3.636 ( 7.130 -9.271 -2.234) 11.907 3.987 ( 13.036 -4.180 -0.980) 13.725 4.193 ( 11.152 -2.861 0.337) 11.518 4.609 ( -2.324 -5.274 3.662) 6.828 4.797 ( 3.345 1.605 -2.952) 4.741 5.243 ( -4.651 -5.790 0.094) 7.427 5.388 ( -11.062 -3.361 -3.046) 11.955 7.860 ( 1.757 -6.294 -3.806) 7.562 8.310 ( -2.737 2.707 2.511) 4.596 9.296 ( 6.779 -1.601 0.432) 6.979 9.451 ( 1.002 -1.809 0.380) 2.102 9.596 ( 6.198 3.909 0.059) 7.328 9.773 ( 0.815 -3.878 -2.271) 4.568 9.950 ( -6.484 -1.149 0.211) 6.588 10.114 ( 3.804 2.226 2.113) 4.888 10.442 ( -6.545 0.353 0.117) 6.556 12.807 ( 15.485 -7.057 0.167) 17.017 13.846 ( 0.107 5.222 -1.647) 5.476 14.185 ( -14.288 -0.735 1.525) 14.388 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 0.000 0.348 1.892) 1.924 2.730 ( -0.000 -3.929 -5.640) 6.873 2.769 ( 0.000 3.215 7.121) 7.813 3.198 ( -0.000 -7.757 -6.933) 10.404 3.300 ( 0.000 0.460 5.444) 5.463 3.555 ( -0.000 1.349 -1.471) 1.996 3.657 ( -0.000 0.844 -0.976) 1.290 3.751 ( -0.000 -1.964 -2.025) 2.821 4.734 ( 0.000 -1.055 2.289) 2.520 4.787 ( -0.000 -0.734 -1.646) 1.802 5.472 ( -0.000 -4.899 -0.474) 4.922 5.772 ( -0.000 -3.690 -3.426) 5.035 7.877 ( -0.000 -4.467 -1.150) 4.613 8.446 ( 0.000 2.252 0.214) 2.262 9.055 ( 0.000 -0.545 1.195) 1.314 9.160 ( -0.000 1.124 -1.587) 1.945 9.413 ( 0.000 -0.765 0.228) 0.798 9.766 ( 0.000 0.820 4.131) 4.212 9.995 ( -0.000 -5.382 -3.352) 6.340 10.417 ( 0.000 -4.019 0.304) 4.030 10.616 ( 0.000 7.940 -0.002) 7.940 12.212 ( 0.000 -0.183 0.127) 0.223 13.921 ( -0.000 -0.699 -2.010) 2.128 14.618 ( 0.000 -1.297 2.013) 2.395 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 11.895 -0.337 1.877) 12.047 2.737 ( 7.364 -6.057 -4.944) 10.741 2.835 ( 2.021 3.226 7.526) 8.434 3.081 ( 0.470 -7.886 -4.192) 8.944 3.408 ( 9.263 -3.374 2.082) 10.076 3.551 ( -2.101 1.988 -1.204) 3.133 3.658 ( 1.380 -1.143 -2.621) 3.175 3.804 ( 8.552 -1.926 -0.869) 8.809 4.698 ( -1.736 -4.058 2.788) 5.221 4.777 ( -0.531 0.323 -2.164) 2.251 5.373 ( -2.286 -10.550 -0.415) 10.803 5.676 ( -4.676 -5.685 -3.356) 8.090 7.823 ( 0.378 -6.484 -1.163) 6.598 8.434 ( -3.484 2.147 0.116) 4.094 9.087 ( 4.230 -1.685 1.092) 4.683 9.254 ( 8.406 3.428 -2.125) 9.323 9.413 ( 1.198 -1.188 0.235) 1.703 9.782 ( -0.009 -0.104 5.079) 5.080 9.924 ( 0.839 -7.841 -3.526) 8.638 10.328 ( -6.438 -1.481 -0.030) 6.606 10.656 ( -4.840 7.834 0.002) 9.209 12.305 ( 10.633 -1.360 0.304) 10.723 13.892 ( -1.480 -0.678 -2.121) 2.674 14.553 ( -6.030 -2.196 1.993) 6.719 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 11.520 -2.311 1.020) 11.793 2.797 ( 7.654 -7.933 -2.145) 11.230 2.947 ( 7.587 1.414 5.388) 9.413 3.080 ( 9.027 -7.011 -1.820) 11.574 3.482 ( 2.341 -5.320 -1.004) 5.898 3.522 ( -2.449 2.018 -1.468) 3.496 3.723 ( 10.580 -4.311 -2.048) 11.606 3.963 ( 11.780 -3.240 0.526) 12.229 4.610 ( -3.210 -6.514 3.323) 7.986 4.772 ( 0.548 0.475 -2.829) 2.921 5.207 ( -2.299 -13.015 -0.590) 13.229 5.497 ( -7.936 -6.634 -2.524) 10.647 7.764 ( 1.074 -6.975 -1.419) 7.199 8.389 ( -3.612 1.649 0.058) 3.971 9.162 ( 6.451 -2.533 0.736) 6.969 9.395 ( 3.309 -2.733 0.039) 4.292 9.497 ( 9.194 6.025 -2.096) 11.191 9.754 ( -2.119 -4.361 1.595) 5.104 9.899 ( 4.939 -5.646 1.002) 7.568 10.197 ( -8.015 1.875 -0.251) 8.235 10.607 ( -8.544 5.715 -0.158) 10.281 12.497 ( 13.703 -4.706 0.317) 14.492 13.876 ( 0.323 1.998 -2.030) 2.867 14.387 ( -10.673 -2.658 1.819) 11.148 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 0.000 0.373 3.164) 3.186 2.584 ( -0.000 -8.300 -6.039) 10.265 2.874 ( 0.000 3.753 7.983) 8.821 2.949 ( -0.000 -13.817 -6.732) 15.370 3.313 ( 0.000 -1.627 4.893) 5.156 3.593 ( -0.000 2.243 -0.334) 2.268 3.652 ( -0.000 -0.660 -3.144) 3.212 3.673 ( -0.000 -4.806 -2.330) 5.341 4.671 ( 0.000 -5.575 2.101) 5.958 4.780 ( -0.000 -0.393 -1.223) 1.285 5.256 ( -0.000 -16.152 -1.026) 16.185 5.641 ( -0.000 -8.038 -2.548) 8.432 7.750 ( 0.000 -7.579 0.477) 7.594 8.486 ( -0.000 1.737 -1.663) 2.405 9.030 ( 0.000 -2.758 1.473) 3.126 9.212 ( -0.000 4.532 -2.583) 5.216 9.389 ( 0.000 -1.167 0.488) 1.264 9.793 ( 0.000 -1.866 5.181) 5.507 9.815 ( -0.000 -9.255 -2.694) 9.640 10.375 ( -0.000 0.415 -1.334) 1.397 10.794 ( 0.000 9.502 -0.103) 9.503 12.199 ( 0.000 -1.277 0.481) 1.365 13.883 ( -0.000 -2.106 -2.240) 3.075 14.582 ( 0.000 -3.368 2.036) 3.935 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 9.649 -0.516 2.701) 10.033 2.554 ( 8.152 -10.323 -3.717) 13.669 2.829 ( 5.397 -14.480 -6.004) 16.578 2.931 ( 0.672 2.902 7.028) 7.633 3.370 ( 7.074 -2.625 3.462) 8.301 3.536 ( -2.785 -5.012 -3.313) 6.622 3.629 ( -0.462 1.903 -1.701) 2.594 3.744 ( 9.370 -4.137 -0.494) 10.254 4.594 ( -2.125 -7.576 2.570) 8.277 4.755 ( -0.358 -4.042 -1.945) 4.500 5.078 ( -0.489 -16.247 -1.227) 16.300 5.512 ( -3.932 -9.952 -1.396) 10.792 7.680 ( 0.451 -7.521 1.244) 7.637 8.462 ( -3.323 1.163 -2.304) 4.207 9.040 ( 4.283 -3.599 1.231) 5.728 9.297 ( 4.798 -0.522 -1.711) 5.121 9.428 ( 4.840 4.942 -0.665) 6.949 9.692 ( 0.743 -11.807 -3.573) 12.359 9.816 ( 0.756 -0.791 7.407) 7.488 10.339 ( -5.372 3.018 -2.354) 6.596 10.821 ( -7.264 8.875 -0.237) 11.471 12.266 ( 8.697 -2.660 0.519) 9.110 13.862 ( 0.975 -1.314 -2.268) 2.797 14.497 ( -5.723 -4.452 1.943) 7.507 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( -0.000 -12.933 -4.761) 13.781 2.434 ( 0.000 0.907 4.329) 4.423 2.606 ( -0.000 -17.907 -6.082) 18.912 2.975 ( 0.000 2.785 6.324) 6.910 3.266 ( 0.000 -5.036 1.377) 5.221 3.556 ( -0.000 -5.692 -0.950) 5.771 3.561 ( -0.000 -5.481 -1.578) 5.703 3.662 ( -0.000 2.617 -0.952) 2.784 4.537 ( 0.000 -9.272 2.267) 9.545 4.650 ( -0.000 -18.876 -2.568) 19.050 4.953 ( -0.000 -6.975 -0.292) 6.981 5.432 ( -0.000 -12.380 -0.477) 12.390 7.607 ( 0.000 -7.286 3.303) 8.000 8.497 ( -0.000 0.890 -3.635) 3.742 8.964 ( 0.000 -4.414 1.597) 4.694 9.243 ( -0.000 -1.678 -2.163) 2.737 9.438 ( 0.000 7.164 -0.211) 7.167 9.547 ( -0.000 -12.930 -4.723) 13.766 9.829 ( 0.000 -0.236 9.028) 9.031 10.418 ( -0.000 5.158 -4.325) 6.731 10.987 ( 0.000 10.319 -0.101) 10.320 12.168 ( 0.000 -2.020 0.679) 2.131 13.821 ( -0.000 -3.078 -2.337) 3.865 14.499 ( 0.000 -6.079 1.825) 6.347 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 0.000 -0.000 25.864) 25.864 0.541 ( 0.000 -0.000 25.864) 25.864 1.195 ( 0.000 -0.000 55.481) 55.481 2.105 ( -0.000 0.000 -12.924) 12.924 2.105 ( -0.000 0.000 -12.924) 12.924 2.787 ( 0.000 -0.000 7.518) 7.518 2.787 ( 0.000 -0.000 7.518) 7.518 3.338 ( -0.000 0.000 -2.443) 2.443 3.338 ( -0.000 0.000 -2.443) 2.443 3.780 ( -0.000 0.000 -32.292) 32.292 4.235 ( -0.000 0.000 -1.606) 1.606 5.537 ( 0.000 -0.000 7.634) 7.634 8.607 ( -0.000 0.000 -0.064) 0.064 8.607 ( -0.000 0.000 -0.064) 0.064 8.911 ( 0.000 -0.000 0.156) 0.156 8.911 ( 0.000 -0.000 0.156) 0.156 9.198 ( 0.000 -0.000 0.013) 0.013 9.513 ( 0.000 -0.000 0.361) 0.361 10.241 ( 0.000 -0.000 1.695) 1.695 10.241 ( 0.000 -0.000 1.695) 1.695 11.980 ( -0.000 0.000 -1.413) 1.413 11.980 ( -0.000 0.000 -1.413) 1.413 13.129 ( 0.000 -0.000 0.850) 0.850 16.114 ( -0.000 0.000 -1.115) 1.115 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 17.530 10.121 17.718) 26.902 0.999 ( 22.933 13.240 17.880) 31.952 1.528 ( 20.174 11.647 33.575) 40.865 2.165 ( 6.739 3.891 -13.719) 15.772 2.237 ( 13.691 7.904 -8.268) 17.840 2.786 ( -0.751 -0.434 8.096) 8.142 2.962 ( 10.778 6.223 5.823) 13.741 3.343 ( 0.756 0.436 -2.386) 2.541 3.424 ( 7.836 4.524 -3.617) 9.745 3.756 ( 5.227 3.018 -27.567) 28.220 4.198 ( -2.327 -1.343 -4.172) 4.963 5.498 ( -4.411 -2.546 8.027) 9.506 7.741 ( -30.309 -17.499 29.072) 45.498 8.637 ( 2.206 1.274 -0.026) 2.548 8.806 ( -2.588 -1.494 -8.772) 9.267 8.926 ( 1.507 0.870 0.146) 1.746 9.194 ( -6.647 -3.838 3.837) 8.582 9.580 ( 6.456 3.727 -5.707) 9.389 10.190 ( -4.327 -2.498 1.844) 5.326 11.041 ( 20.716 11.960 -20.001) 31.181 11.969 ( 0.188 0.109 -6.284) 6.288 11.994 ( 1.113 0.643 -1.515) 1.987 13.300 ( 14.501 8.372 0.717) 16.759 14.888 ( -60.931 -35.178 50.584) 86.654 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 19.064 11.006 11.337) 24.761 1.480 ( 17.182 9.920 16.984) 26.117 2.121 ( 23.980 13.845 -3.879) 27.961 2.326 ( 9.401 5.427 -14.611) 18.202 2.661 ( 23.872 13.783 6.859) 28.406 2.796 ( 0.159 0.092 9.294) 9.296 3.230 ( 10.850 6.264 5.615) 13.729 3.365 ( 1.742 1.006 -2.033) 2.860 3.654 ( 13.145 7.589 -5.929) 16.295 3.890 ( 6.876 3.970 -9.991) 12.762 4.172 ( 5.215 3.011 -12.148) 13.559 5.385 ( -6.718 -3.879 6.112) 9.876 7.442 ( -4.828 -2.787 12.075) 13.300 8.693 ( -5.151 -2.974 -9.959) 11.600 8.703 ( 3.582 2.068 -0.293) 4.146 8.979 ( 3.077 1.776 0.384) 3.573 9.102 ( -2.065 -1.192 9.340) 9.639 9.694 ( 4.843 2.796 -8.211) 9.934 10.060 ( -7.375 -4.258 2.330) 8.829 11.067 ( -8.626 -4.981 -0.780) 9.992 11.821 ( -12.398 -7.158 -7.732) 16.271 12.021 ( 1.574 0.909 -1.864) 2.604 13.681 ( 14.558 8.405 -0.250) 16.812 14.103 ( -17.493 -10.099 28.216) 34.701 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 15.996 9.235 7.328) 19.871 1.885 ( 15.890 9.174 10.229) 21.007 2.490 ( 6.860 3.961 -11.909) 14.303 2.514 ( 13.611 7.858 -13.803) 20.917 2.853 ( 3.697 2.134 7.412) 8.553 3.289 ( 26.355 15.216 8.472) 31.589 3.416 ( 3.077 1.776 -1.185) 3.745 3.470 ( 9.365 5.407 4.482) 11.706 3.902 ( -0.585 -0.338 -0.926) 1.147 3.988 ( 15.904 9.182 -4.320) 18.865 4.474 ( 19.820 11.443 -11.333) 25.538 5.234 ( -7.000 -4.041 3.948) 8.995 7.454 ( 3.106 1.793 3.097) 4.739 8.561 ( -4.578 -2.643 -4.811) 7.148 8.793 ( 4.266 2.463 -0.759) 4.984 9.064 ( 4.149 2.395 0.822) 4.860 9.133 ( 2.918 1.685 7.958) 8.642 9.773 ( 3.991 2.304 -8.565) 9.726 9.874 ( -9.181 -5.301 2.703) 10.941 10.815 ( -12.554 -7.248 6.712) 15.975 11.477 ( -14.492 -8.367 -5.569) 17.636 12.056 ( 1.808 1.044 -2.119) 2.975 13.766 ( -2.073 -1.197 5.470) 5.971 14.167 ( 11.201 6.467 4.675) 13.753 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 11.304 6.526 3.733) 13.576 2.242 ( 13.960 8.060 4.329) 16.691 2.579 ( 2.834 1.636 -3.572) 4.845 2.736 ( 8.775 5.066 -8.397) 13.160 2.993 ( 7.217 4.167 0.544) 8.351 3.498 ( 4.104 2.369 0.067) 4.739 3.646 ( 3.553 2.051 -0.956) 4.213 3.672 ( 5.112 2.952 5.462) 8.043 4.040 ( 14.768 8.526 -1.190) 17.094 4.382 ( 18.993 10.966 1.022) 21.955 4.866 ( 11.766 6.793 -4.357) 14.268 5.145 ( 2.278 1.315 1.150) 2.871 7.562 ( 5.742 3.315 -0.330) 6.638 8.469 ( -3.147 -1.817 -0.125) 3.636 8.888 ( 4.203 2.427 -1.157) 4.989 9.165 ( 4.393 2.536 1.318) 5.241 9.265 ( 7.245 4.183 4.757) 9.623 9.664 ( -9.553 -5.515 2.466) 11.303 9.847 ( 4.182 2.415 -7.319) 8.769 10.567 ( -10.056 -5.806 6.766) 13.439 11.175 ( -11.133 -6.428 -3.660) 13.366 12.094 ( 1.937 1.118 -1.989) 2.993 13.763 ( 0.835 0.482 2.574) 2.749 14.403 ( 8.448 4.878 0.984) 9.805 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 6.635 3.831 0.322) 7.669 2.528 ( 10.523 6.076 -0.767) 12.175 2.625 ( 1.575 0.909 2.597) 3.171 2.899 ( 6.824 3.940 -0.977) 7.939 3.156 ( 7.079 4.087 -3.732) 8.986 3.594 ( 4.037 2.331 1.317) 4.844 3.627 ( -2.037 -1.176 -1.488) 2.783 3.750 ( 0.160 0.092 4.164) 4.168 4.347 ( 11.462 6.618 -3.659) 13.732 4.814 ( 14.654 8.461 3.694) 17.320 4.934 ( 2.575 1.486 0.226) 2.981 5.391 ( 13.428 7.753 -0.981) 15.537 7.700 ( 6.247 3.607 -0.648) 7.243 8.415 ( -1.721 -0.994 1.532) 2.509 8.974 ( 3.513 2.028 -1.260) 4.247 9.258 ( 3.033 1.751 2.070) 4.068 9.464 ( 9.047 5.224 1.459) 10.548 9.465 ( -7.772 -4.487 1.116) 9.043 9.934 ( 4.577 2.643 -4.554) 6.977 10.395 ( -6.057 -3.497 4.394) 8.260 10.946 ( -8.765 -5.061 -1.706) 10.264 12.134 ( 1.917 1.107 -1.433) 2.637 13.802 ( 1.944 1.123 1.739) 2.840 14.555 ( 5.003 2.889 -0.494) 5.798 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 3.228 1.864 -1.956) 4.209 2.663 ( 0.907 0.524 5.586) 5.684 2.708 ( 5.971 3.447 -4.707) 8.348 3.049 ( 5.883 3.397 4.543) 8.172 3.286 ( 5.073 2.929 -5.476) 8.019 3.581 ( -1.885 -1.088 0.426) 2.218 3.678 ( 2.760 1.593 2.260) 3.907 3.712 ( -3.211 -1.854 0.963) 3.831 4.556 ( 7.705 4.448 -1.409) 9.007 4.865 ( -1.736 -1.002 1.890) 2.755 5.223 ( 13.283 7.669 0.199) 15.340 5.639 ( 7.766 4.484 1.492) 9.090 7.829 ( 4.716 2.723 0.201) 5.449 8.396 ( -0.231 -0.133 1.067) 1.100 9.039 ( 2.335 1.348 -1.149) 2.931 9.250 ( -4.640 -2.679 2.728) 6.013 9.383 ( 0.991 0.572 -0.661) 1.321 9.653 ( 7.115 4.108 -1.561) 8.362 10.018 ( 2.486 1.435 -0.214) 2.878 10.327 ( 0.065 0.037 1.503) 1.505 10.759 ( -7.622 -4.401 -0.554) 8.819 12.172 ( 1.604 0.926 -0.677) 1.972 13.850 ( 1.749 1.010 1.842) 2.734 14.635 ( 2.394 1.382 -1.450) 3.121 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( 1.412 0.815 -2.868) 3.299 2.681 ( -0.730 -0.422 6.440) 6.494 2.797 ( 3.390 1.957 -5.596) 6.829 3.157 ( 1.599 0.923 6.026) 6.302 3.360 ( 2.524 1.457 -6.023) 6.691 3.540 ( -1.562 -0.902 0.770) 1.961 3.652 ( -1.556 -0.898 0.543) 1.877 3.723 ( 0.678 0.391 2.775) 2.883 4.694 ( 4.620 2.667 -0.397) 5.349 4.818 ( -2.649 -1.529 1.488) 3.401 5.447 ( 6.106 3.525 -0.809) 7.097 5.743 ( 1.050 0.606 3.406) 3.615 7.898 ( 0.961 0.555 0.670) 1.296 8.407 ( 0.966 0.558 0.557) 1.247 9.072 ( 0.815 0.470 -1.229) 1.548 9.161 ( -2.720 -1.571 1.428) 3.451 9.412 ( 0.895 0.517 -0.148) 1.044 9.773 ( 4.071 2.351 -3.736) 6.005 10.022 ( -2.123 -1.226 3.066) 3.925 10.407 ( 5.505 3.178 -0.193) 6.359 10.598 ( -6.026 -3.479 -0.003) 6.958 12.201 ( 0.927 0.535 -0.055) 1.071 13.883 ( 0.752 0.434 2.123) 2.294 14.663 ( 0.453 0.261 -2.084) 2.148 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 0.666 0.384 -3.211) 3.302 2.650 ( -3.433 -1.982 6.250) 7.401 2.855 ( 2.915 1.683 -4.807) 5.869 3.113 ( -6.380 -3.684 5.133) 8.979 3.376 ( 0.105 0.061 -5.639) 5.640 3.541 ( 1.623 0.937 0.010) 1.874 3.640 ( -0.126 -0.073 1.697) 1.703 3.718 ( -1.746 -1.008 2.809) 3.458 4.752 ( -2.436 -1.407 0.733) 2.907 4.768 ( 1.075 0.621 0.178) 1.254 5.473 ( -4.308 -2.487 -0.722) 5.027 5.721 ( -3.041 -1.756 3.763) 5.147 7.870 ( -3.373 -1.947 -0.057) 3.895 8.438 ( 1.385 0.800 1.355) 2.096 9.074 ( -0.373 -0.216 -1.561) 1.620 9.140 ( 0.632 0.365 1.343) 1.528 9.415 ( -0.622 -0.359 -0.073) 0.722 9.830 ( 1.933 1.116 -5.388) 5.832 9.946 ( -5.422 -3.131 4.093) 7.480 10.419 ( -3.994 -2.306 0.008) 4.611 10.613 ( 6.973 4.026 0.478) 8.066 12.212 ( -0.011 -0.006 0.173) 0.173 13.890 ( -0.589 -0.340 2.314) 2.412 14.649 ( -1.202 -0.694 -2.426) 2.795 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 0.574 0.332 -3.562) 3.623 2.545 ( -7.008 -4.046 5.553) 9.814 2.886 ( -5.981 -3.453 4.942) 8.493 2.941 ( -2.667 -1.540 -4.827) 5.725 3.343 ( -1.998 -1.154 -4.189) 4.782 3.591 ( 2.132 1.231 0.248) 2.475 3.635 ( -0.799 -0.461 1.678) 1.915 3.657 ( -3.969 -2.291 2.288) 5.122 4.675 ( -4.435 -2.560 1.006) 5.219 4.779 ( -0.495 -0.286 -0.890) 1.058 5.250 ( -14.388 -8.307 0.920) 16.640 5.626 ( -6.336 -3.658 2.058) 7.600 7.757 ( -6.027 -3.480 -1.536) 7.127 8.470 ( 1.038 0.599 2.842) 3.085 9.040 ( -2.389 -1.380 -1.496) 3.139 9.197 ( 3.645 2.104 1.751) 4.558 9.392 ( -0.888 -0.512 -0.243) 1.053 9.781 ( -9.546 -5.511 4.059) 11.746 9.845 ( 0.459 0.265 -6.985) 7.005 10.365 ( -0.327 -0.189 1.762) 1.802 10.792 ( 8.239 4.757 0.550) 9.530 12.201 ( -0.981 -0.566 -0.076) 1.135 13.868 ( -1.808 -1.044 2.351) 3.144 14.597 ( -3.010 -1.738 -2.402) 4.225 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 0.000 19.457 18.385) 26.769 1.046 ( 0.000 26.884 16.692) 31.645 1.625 ( 0.000 22.306 33.176) 39.978 2.093 ( -0.000 5.081 -13.554) 14.475 2.244 ( -0.000 16.971 -8.417) 18.943 2.845 ( 0.000 1.853 7.494) 7.720 2.926 ( 0.000 9.482 6.878) 11.714 3.326 ( -0.000 0.194 -2.815) 2.822 3.417 ( -0.000 8.065 -4.601) 9.285 3.688 ( -0.000 7.074 -29.000) 29.850 4.190 ( -0.000 -2.951 -4.158) 5.098 5.518 ( 0.000 -5.122 8.860) 10.234 7.787 ( 0.000 -38.461 28.728) 48.006 8.618 ( -0.000 1.668 -0.144) 1.674 8.776 ( -0.000 -4.831 -9.123) 10.323 8.939 ( 0.000 2.363 0.228) 2.374 9.209 ( 0.000 -3.719 3.290) 4.966 9.552 ( -0.000 4.535 -5.101) 6.825 10.210 ( 0.000 -4.328 2.010) 4.772 11.076 ( -0.000 35.500 -21.725) 41.620 11.886 ( -0.000 -11.060 -0.266) 11.063 11.977 ( -0.000 0.747 -1.658) 1.819 13.292 ( 0.000 14.862 1.250) 14.915 15.027 ( 0.000 -64.878 41.764) 77.158 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 11.851 20.628 13.297) 27.253 1.417 ( 9.716 18.686 16.465) 26.733 1.998 ( 9.425 22.701 0.879) 24.596 2.220 ( 8.680 8.750 -13.180) 18.044 2.524 ( 12.050 20.758 6.426) 24.848 2.865 ( -1.697 4.778 8.148) 9.597 3.132 ( 8.693 8.095 5.820) 13.228 3.347 ( 2.177 1.491 -2.404) 3.570 3.544 ( 6.862 9.344 -8.866) 14.595 3.797 ( 6.746 11.612 -16.002) 20.890 4.139 ( -0.621 -0.630 -8.398) 8.444 5.444 ( -3.920 -6.239 7.740) 10.686 7.496 ( -5.165 -13.210 17.537) 22.555 8.670 ( 3.038 2.627 -0.267) 4.025 8.683 ( -1.921 -5.807 -9.911) 11.646 8.974 ( 0.966 3.475 0.405) 3.629 9.171 ( -3.134 0.229 8.095) 8.683 9.608 ( 3.850 1.626 -8.092) 9.108 10.136 ( -3.531 -4.417 2.370) 6.131 11.194 ( -8.415 5.237 -7.518) 12.440 11.733 ( -1.006 -18.918 -2.684) 19.134 12.032 ( 2.904 2.251 -3.602) 5.145 13.565 ( 11.718 15.671 1.075) 19.598 14.364 ( -21.202 -27.745 30.283) 46.221 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 11.521 20.097 9.100) 24.888 1.790 ( 11.290 14.489 12.110) 22.001 2.324 ( 12.124 9.420 -12.650) 19.893 2.433 ( 6.975 11.595 -15.363) 20.472 2.896 ( 0.855 7.446 8.894) 11.631 3.091 ( 19.142 22.728 11.470) 31.852 3.337 ( 7.014 2.542 0.971) 7.523 3.437 ( 4.633 7.159 1.372) 8.637 3.803 ( 13.770 10.318 -7.158) 18.637 3.909 ( -0.628 -0.282 -2.094) 2.204 4.278 ( 13.956 14.443 -13.376) 24.131 5.307 ( -6.082 -6.370 5.495) 10.381 7.427 ( 1.365 -2.058 7.001) 7.424 8.574 ( -2.489 -4.104 -6.771) 8.300 8.761 ( 3.643 4.160 -0.746) 5.579 9.042 ( 2.452 4.079 0.874) 4.838 9.166 ( -1.344 3.263 9.330) 9.975 9.665 ( 4.693 -1.303 -9.012) 10.244 10.019 ( -7.239 -1.608 2.389) 7.791 10.970 ( -13.461 -7.192 4.883) 16.024 11.466 ( -4.916 -20.723 -5.953) 22.114 12.077 ( 0.309 3.902 -2.590) 4.693 13.865 ( -0.161 9.290 1.890) 9.482 14.049 ( 2.866 -4.158 11.797) 12.832 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 7.234 18.226 5.712) 20.424 2.137 ( 11.222 12.548 6.342) 17.989 2.542 ( 6.569 6.259 -7.686) 11.890 2.618 ( 7.754 7.718 -11.865) 16.139 3.008 ( 1.117 10.474 5.118) 11.711 3.452 ( 4.812 2.502 -0.563) 5.452 3.596 ( 10.299 9.718 0.760) 14.180 3.615 ( 6.356 7.830 4.806) 11.172 3.919 ( 6.215 4.126 -0.237) 7.463 4.169 ( 17.961 11.056 -1.638) 21.155 4.692 ( 17.181 14.136 -7.616) 23.516 5.161 ( -4.496 -4.913 3.713) 7.625 7.495 ( 4.988 1.852 1.394) 5.500 8.493 ( -2.317 -2.396 -1.860) 3.817 8.865 ( 3.126 5.244 -1.166) 6.215 9.137 ( 3.442 4.244 1.139) 5.582 9.240 ( 2.810 5.673 7.131) 9.536 9.693 ( 2.052 -3.510 -5.486) 6.828 9.886 ( -7.423 2.233 -0.690) 7.782 10.682 ( -10.857 -9.759 7.419) 16.376 11.180 ( -5.002 -16.552 -5.265) 18.075 12.122 ( -0.086 5.806 -1.839) 6.090 13.825 ( -5.090 4.169 3.325) 7.372 14.261 ( 12.025 1.796 1.605) 12.264 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 2.122 15.844 2.445) 16.171 2.437 ( 9.315 10.396 1.299) 14.019 2.656 ( 0.961 7.498 -1.483) 7.703 2.795 ( 8.073 3.796 -4.261) 9.887 3.158 ( 2.502 11.766 0.041) 12.029 3.556 ( 3.922 2.917 1.090) 5.008 3.637 ( -1.477 -1.107 -2.242) 2.904 3.776 ( 1.869 5.358 3.801) 6.830 4.193 ( 13.091 7.442 -3.302) 15.416 4.612 ( 19.359 11.046 2.863) 22.472 4.937 ( 0.119 1.782 -0.347) 1.820 5.215 ( 13.475 5.057 -0.444) 14.400 7.622 ( 6.441 3.322 -0.445) 7.261 8.435 ( -1.908 -1.942 1.191) 2.972 8.962 ( 2.240 5.508 -1.255) 6.077 9.241 ( 3.269 4.325 1.088) 5.529 9.392 ( 5.858 6.196 3.749) 9.314 9.597 ( -8.277 -0.980 0.980) 8.392 9.871 ( 3.009 2.333 -5.665) 6.826 10.459 ( -6.751 -7.880 5.498) 11.743 10.950 ( -3.683 -13.450 -2.726) 14.209 12.179 ( -0.810 7.903 -1.327) 8.055 13.814 ( -1.387 2.950 1.935) 3.791 14.445 ( 8.781 -0.723 -0.288) 8.816 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -2.202 13.759 -0.190) 13.935 2.651 ( 5.588 7.192 -3.264) 9.675 2.731 ( -1.533 8.579 2.946) 9.199 2.951 ( 7.483 1.745 1.563) 7.841 3.310 ( 1.876 11.492 -2.583) 11.927 3.588 ( -1.550 -1.510 0.823) 2.315 3.640 ( 2.434 0.816 0.955) 2.739 3.816 ( -3.678 6.184 0.877) 7.248 4.441 ( 10.106 4.246 -2.045) 11.150 4.875 ( 0.107 -1.147 2.477) 2.731 5.056 ( 14.396 8.007 0.680) 16.487 5.503 ( 12.521 3.308 0.548) 12.963 7.765 ( 6.009 3.361 -0.026) 6.885 8.396 ( -0.679 -1.801 1.304) 2.325 9.041 ( 1.066 5.166 -1.133) 5.395 9.323 ( 0.041 3.741 2.068) 4.275 9.414 ( -5.921 -0.638 0.270) 5.961 9.599 ( 4.644 7.302 0.126) 8.654 9.961 ( 5.341 1.777 -3.132) 6.442 10.322 ( -2.372 -5.462 2.969) 6.654 10.771 ( -3.035 -11.038 -0.839) 11.478 12.239 ( -2.150 9.730 -0.737) 9.992 13.834 ( 0.804 0.785 1.886) 2.195 14.551 ( 6.117 -2.881 -1.386) 6.902 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( -4.703 12.205 -1.454) 13.160 2.755 ( 0.877 4.487 -2.032) 5.003 2.786 ( -2.182 8.348 1.312) 8.728 3.082 ( 5.887 -0.241 2.919) 6.576 3.427 ( -0.048 9.684 -2.359) 9.968 3.554 ( -2.347 0.291 1.859) 3.008 3.654 ( -0.247 -1.319 0.641) 1.488 3.813 ( -4.500 7.977 0.768) 9.191 4.616 ( 7.094 1.999 -0.549) 7.391 4.842 ( -1.837 -1.798 1.481) 2.966 5.338 ( 10.370 3.723 0.151) 11.019 5.680 ( 6.566 -1.331 2.436) 7.129 7.874 ( 3.129 1.808 1.064) 3.768 8.384 ( 1.049 -1.609 0.030) 1.921 9.092 ( -0.368 4.379 -1.000) 4.506 9.264 ( -7.323 3.220 2.016) 8.249 9.408 ( 0.962 1.846 -0.256) 2.097 9.729 ( 3.767 4.146 -2.535) 6.149 10.031 ( 1.028 -0.126 1.011) 1.447 10.306 ( 5.205 -3.007 0.364) 6.023 10.622 ( -3.159 -8.091 -0.049) 8.686 12.289 ( -3.811 10.631 -0.206) 11.295 13.859 ( 1.724 -1.154 2.181) 3.010 14.597 ( 4.174 -4.459 -2.070) 6.449 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( -5.722 10.995 -1.992) 12.554 2.769 ( -5.233 5.605 4.497) 8.890 2.831 ( 0.625 4.540 -5.154) 6.897 3.137 ( 0.583 -2.332 2.723) 3.633 3.480 ( -5.433 9.088 -1.822) 10.744 3.511 ( -0.260 -1.602 1.554) 2.247 3.648 ( -0.250 0.907 0.845) 1.265 3.816 ( -4.644 7.262 1.427) 8.737 4.719 ( 3.938 0.143 -0.752) 4.012 4.789 ( -2.547 -2.006 1.602) 3.616 5.464 ( 2.576 -1.551 -0.490) 3.046 5.715 ( 0.962 -4.974 3.743) 6.299 7.897 ( -1.458 -0.933 1.283) 2.154 8.400 ( 2.502 -1.447 -0.365) 2.913 9.110 ( -1.801 3.644 -1.071) 4.203 9.211 ( -4.447 6.029 1.681) 7.678 9.427 ( -0.415 0.945 -0.080) 1.035 9.798 ( 2.024 1.762 -4.193) 4.979 10.004 ( -3.134 -1.742 3.058) 4.712 10.372 ( 4.415 -7.076 -0.542) 8.358 10.542 ( 1.984 -1.119 0.371) 2.308 12.314 ( -5.365 10.234 0.045) 11.555 13.876 ( 1.432 -2.084 2.399) 3.485 14.600 ( 2.638 -5.561 -2.414) 6.612 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( -5.779 9.835 -2.412) 11.660 2.705 ( -9.240 4.167 4.701) 11.174 2.878 ( 1.890 3.046 -5.360) 6.448 3.053 ( -8.194 -2.799 3.809) 9.459 3.426 ( -6.082 5.301 -3.047) 8.624 3.544 ( 2.999 -0.895 0.791) 3.228 3.640 ( -2.384 0.325 2.763) 3.664 3.798 ( -6.120 7.155 0.842) 9.453 4.710 ( -2.994 -3.208 -0.519) 4.418 4.766 ( 1.107 -0.590 0.767) 1.470 5.371 ( -8.316 -7.387 0.150) 11.124 5.654 ( -2.200 -6.607 3.252) 7.686 7.818 ( -5.175 -3.040 0.257) 6.008 8.432 ( 2.857 -1.803 0.817) 3.476 9.095 ( -3.457 2.665 -1.153) 4.515 9.240 ( -1.355 8.855 1.908) 9.159 9.414 ( -1.554 0.394 -0.089) 1.605 9.817 ( 0.389 -0.501 -5.232) 5.270 9.902 ( -7.297 -2.399 3.120) 8.291 10.327 ( 1.411 -6.410 0.286) 6.570 10.655 ( 9.208 -0.291 0.447) 9.224 12.306 ( -6.405 8.593 -0.085) 10.718 13.877 ( 0.183 -1.603 2.415) 2.904 14.568 ( 1.048 -6.392 -2.403) 6.909 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 0.000 22.257 12.794) 25.672 1.581 ( 0.000 21.200 15.094) 26.025 2.160 ( -0.000 6.767 -12.141) 13.900 2.194 ( -0.000 24.406 -10.873) 26.718 2.690 ( 0.000 27.942 13.233) 30.917 2.933 ( 0.000 4.098 5.851) 7.143 3.181 ( 0.000 12.590 7.506) 14.657 3.325 ( -0.000 1.083 -2.485) 2.711 3.566 ( -0.000 11.873 -12.665) 17.359 3.855 ( -0.000 15.145 -8.881) 17.557 4.125 ( -0.000 2.290 -10.062) 10.319 5.425 ( 0.000 -7.629 7.399) 10.628 7.440 ( 0.000 -11.085 15.223) 18.832 8.620 ( -0.000 -5.479 -8.504) 10.116 8.669 ( 0.000 3.467 -0.029) 3.467 9.004 ( 0.000 4.054 0.180) 4.058 9.230 ( 0.000 2.741 8.238) 8.682 9.578 ( -0.000 1.322 -8.432) 8.535 10.093 ( 0.000 -8.329 2.169) 8.607 11.333 ( -0.000 3.309 -9.602) 10.157 11.543 ( 0.000 -22.399 1.699) 22.463 11.995 ( -0.000 1.719 -1.744) 2.449 13.617 ( 0.000 14.063 3.393) 14.466 14.330 ( 0.000 -22.352 19.566) 29.706 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 10.084 20.838 10.149) 25.276 1.853 ( 4.462 19.325 11.670) 23.012 2.245 ( 5.407 8.347 -11.128) 14.924 2.415 ( 5.264 14.373 -18.505) 24.016 2.987 ( 1.162 10.980 7.553) 13.377 3.119 ( 9.954 23.413 11.901) 28.088 3.304 ( 0.855 7.137 1.989) 7.458 3.414 ( 5.989 7.172 1.973) 9.550 3.725 ( 6.388 13.246 -8.853) 17.165 3.938 ( -1.599 3.209 -2.263) 4.240 4.240 ( 6.299 18.612 -12.270) 23.165 5.333 ( -3.434 -7.590 5.628) 10.054 7.398 ( 0.807 -3.171 8.972) 9.550 8.550 ( -1.001 -3.156 -6.175) 7.007 8.739 ( 3.400 4.358 -0.213) 5.532 9.058 ( 1.191 4.708 0.487) 4.881 9.263 ( -2.400 4.682 9.518) 10.875 9.579 ( 1.824 -0.154 -9.771) 9.941 10.028 ( 1.216 -7.716 2.426) 8.180 11.156 ( -14.399 -9.740 4.309) 17.910 11.310 ( -2.542 -17.308 -6.699) 18.732 12.060 ( 4.141 2.236 -2.181) 5.187 13.826 ( 9.823 6.981 3.878) 12.660 14.136 ( -9.032 -3.516 8.300) 12.761 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 9.250 16.894 8.180) 20.926 2.163 ( 7.330 19.967 5.784) 22.043 2.435 ( 9.443 7.425 -8.454) 14.689 2.584 ( 5.157 9.748 -14.079) 17.884 3.128 ( 1.056 11.964 5.784) 13.330 3.377 ( 5.399 1.877 -0.485) 5.736 3.555 ( 8.842 16.011 3.850) 18.691 3.608 ( 5.870 8.423 2.936) 10.678 3.895 ( 1.528 3.651 -1.041) 4.093 4.037 ( 10.198 15.820 -2.822) 19.032 4.580 ( 12.203 19.214 -7.439) 23.947 5.197 ( -5.094 -6.360 3.793) 8.988 7.444 ( 3.502 1.671 3.830) 5.452 8.498 ( -1.466 -1.593 -2.779) 3.523 8.857 ( 4.324 5.717 -0.789) 7.211 9.135 ( 2.130 4.643 1.164) 5.240 9.305 ( -0.869 6.819 8.220) 10.715 9.600 ( 3.468 -0.593 -8.966) 9.631 9.978 ( -1.387 -4.140 1.847) 4.741 10.792 ( -13.568 -13.711 6.622) 20.394 11.078 ( -4.889 -14.045 -6.502) 16.231 12.150 ( 3.061 4.660 -1.524) 5.780 13.987 ( -3.229 -0.933 3.887) 5.138 14.086 ( 6.502 7.096 1.163) 9.695 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 6.836 13.000 5.465) 15.672 2.482 ( 3.876 20.881 0.736) 21.250 2.657 ( 9.410 7.095 -2.893) 12.135 2.726 ( 4.013 8.290 -8.234) 12.354 3.270 ( -0.210 12.439 4.315) 13.168 3.497 ( 6.284 2.242 -0.716) 6.711 3.660 ( -1.653 0.134 -1.260) 2.082 3.795 ( 4.760 8.125 2.371) 9.711 4.068 ( 9.355 9.599 -3.190) 13.778 4.431 ( 15.823 14.942 2.702) 21.930 4.940 ( 8.735 13.026 -3.733) 16.122 5.084 ( 0.606 -3.927 2.728) 4.820 7.556 ( 5.395 4.040 1.220) 6.849 8.449 ( -1.976 -2.051 0.077) 2.849 8.982 ( 3.022 6.934 -0.987) 7.628 9.228 ( 3.332 4.425 0.711) 5.584 9.407 ( 1.899 7.803 5.054) 9.488 9.642 ( 2.554 1.128 -4.597) 5.378 9.901 ( -4.235 -0.576 -0.916) 4.371 10.499 ( -7.748 -11.105 5.382) 14.571 10.851 ( -3.731 -14.018 -3.906) 15.023 12.255 ( 2.083 8.226 -0.929) 8.536 13.921 ( -5.720 3.731 1.592) 7.012 14.265 ( 9.498 -1.295 0.171) 9.588 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( 3.093 11.453 3.381) 12.336 2.689 ( 0.019 15.835 -3.578) 16.235 2.849 ( 1.893 9.709 -3.917) 10.639 2.871 ( 5.691 8.896 2.570) 10.868 3.381 ( 1.045 7.339 1.997) 7.677 3.590 ( 1.277 -1.056 -2.225) 2.774 3.646 ( 0.088 6.216 2.159) 6.580 3.926 ( 0.413 8.878 0.038) 8.888 4.306 ( 9.938 5.711 -2.750) 11.787 4.807 ( 11.246 6.120 3.346) 13.233 4.976 ( 0.510 3.530 0.380) 3.586 5.304 ( 13.742 3.348 0.017) 14.145 7.702 ( 5.935 4.847 0.831) 7.708 8.393 ( -1.557 -2.950 0.614) 3.391 9.087 ( 1.102 7.425 -0.837) 7.552 9.329 ( 3.177 4.042 0.048) 5.141 9.491 ( -0.965 2.542 1.822) 3.273 9.678 ( -2.579 8.078 1.305) 8.580 9.878 ( 3.615 0.491 -4.025) 5.432 10.321 ( -4.208 -7.280 2.973) 8.919 10.669 ( -0.860 -13.619 -1.328) 13.710 12.375 ( 0.258 12.008 -0.533) 12.023 13.872 ( -3.701 1.751 1.577) 4.388 14.380 ( 8.008 -5.327 -1.052) 9.675 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( -2.321 10.914 1.419) 11.248 2.798 ( -1.620 11.454 -3.747) 12.160 2.957 ( -1.176 11.166 -1.390) 11.313 3.022 ( 2.189 7.142 2.503) 7.878 3.446 ( 1.431 -0.237 2.415) 2.817 3.602 ( 2.032 2.036 -2.044) 3.529 3.721 ( -3.281 10.442 2.533) 11.235 3.987 ( -3.994 10.467 -0.950) 11.243 4.500 ( 8.351 2.566 -1.113) 8.807 4.857 ( -1.465 -1.255 2.112) 2.860 5.186 ( 11.443 4.440 0.522) 12.285 5.517 ( 10.215 -2.444 1.481) 10.607 7.841 ( 4.306 4.087 1.857) 6.221 8.347 ( 0.051 -3.383 -0.854) 3.490 9.159 ( -0.833 6.937 -0.749) 7.027 9.407 ( 1.497 3.271 0.070) 3.598 9.441 ( -6.548 3.158 2.036) 7.549 9.735 ( 0.249 6.169 -1.024) 6.258 9.979 ( 5.722 1.162 -1.301) 5.982 10.216 ( -0.851 -5.733 0.511) 5.818 10.550 ( 0.780 -10.278 0.179) 10.309 12.487 ( -2.937 15.070 -0.264) 15.356 13.837 ( -0.962 -1.404 2.079) 2.687 14.434 ( 6.654 -8.019 -1.900) 10.592 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( -5.307 10.102 -0.088) 11.411 2.856 ( -2.807 9.855 -2.271) 10.496 2.999 ( -6.592 11.029 -0.625) 12.864 3.111 ( 2.092 2.978 0.411) 3.663 3.456 ( 1.736 -2.817 2.437) 4.110 3.653 ( -0.372 1.437 1.013) 1.797 3.751 ( -6.923 14.220 0.974) 15.846 4.004 ( -6.002 11.088 -0.639) 12.624 4.634 ( 5.872 0.334 -0.545) 5.906 4.814 ( -2.340 -1.621 1.428) 3.185 5.364 ( 7.021 -1.209 0.202) 7.127 5.606 ( 5.430 -7.191 2.686) 9.402 7.914 ( -0.019 1.401 3.041) 3.348 8.332 ( 2.369 -2.926 -2.459) 4.497 9.193 ( -2.363 5.973 -0.719) 6.464 9.384 ( -6.097 7.274 2.476) 9.809 9.445 ( -0.030 1.877 -0.087) 1.879 9.786 ( 0.823 2.610 -2.317) 3.585 10.032 ( -0.554 0.084 0.792) 0.971 10.192 ( 5.534 -8.327 -0.793) 10.029 10.495 ( 1.345 -4.262 0.299) 4.480 12.559 ( -6.845 16.006 -0.147) 17.409 13.824 ( 1.555 -3.239 2.464) 4.357 14.446 ( 5.652 -9.685 -2.323) 11.452 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( -6.619 9.802 -0.900) 11.862 2.885 ( -4.253 6.972 0.976) 8.225 2.959 ( -7.748 8.401 -3.426) 11.931 3.144 ( -2.092 2.912 0.401) 3.608 3.477 ( 3.058 -2.050 1.830) 4.111 3.596 ( -7.431 1.785 2.132) 7.934 3.769 ( -6.758 10.743 1.043) 12.734 4.000 ( -6.965 10.631 -0.554) 12.721 4.694 ( 1.343 -2.171 -2.395) 3.501 4.761 ( -1.404 -1.148 2.731) 3.278 5.383 ( -1.076 -6.215 -0.182) 6.311 5.586 ( 1.651 -9.534 3.490) 10.286 7.879 ( -4.373 -1.642 2.664) 5.377 8.355 ( 3.493 -2.227 -1.918) 4.565 9.194 ( -3.691 5.139 -0.735) 6.370 9.394 ( -3.778 10.582 2.298) 11.469 9.445 ( -1.217 0.865 0.037) 1.493 9.799 ( -0.128 -0.243 -2.818) 2.831 9.992 ( -3.905 -0.164 1.213) 4.092 10.192 ( 4.652 -9.183 -0.775) 10.323 10.518 ( 4.870 -2.268 0.202) 5.376 12.563 ( -9.894 13.835 -0.177) 17.010 13.838 ( 2.579 -2.146 2.457) 4.159 14.429 ( 4.620 -10.473 -2.312) 11.678 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 0.000 20.006 9.046) 21.956 2.038 ( 0.000 19.637 10.072) 22.069 2.237 ( -0.000 5.495 -7.621) 9.395 2.467 ( -0.000 12.965 -20.370) 24.146 3.043 ( 0.000 4.859 0.940) 4.949 3.311 ( 0.000 21.917 11.868) 24.924 3.360 ( -0.000 3.566 -0.448) 3.594 3.485 ( 0.000 16.187 5.064) 16.961 3.801 ( -0.000 15.009 -4.224) 15.592 3.995 ( -0.000 7.148 -3.828) 8.109 4.374 ( -0.000 23.265 -8.799) 24.873 5.300 ( 0.000 -7.024 4.324) 8.248 7.389 ( 0.000 -0.329 7.817) 7.824 8.525 ( -0.000 -1.135 -4.733) 4.867 8.751 ( 0.000 4.632 0.211) 4.637 9.096 ( 0.000 5.072 0.056) 5.072 9.362 ( 0.000 6.231 9.423) 11.297 9.547 ( -0.000 0.081 -9.526) 9.527 9.909 ( 0.000 -10.983 2.047) 11.173 11.093 ( 0.000 -22.279 4.289) 22.688 11.269 ( -0.000 -5.305 -6.446) 8.349 12.029 ( -0.000 2.437 -1.618) 2.926 13.790 ( 0.000 1.981 4.235) 4.675 14.228 ( 0.000 4.007 3.506) 5.325 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 8.625 17.178 6.680) 20.349 2.254 ( 3.224 15.384 3.178) 16.036 2.360 ( 7.312 9.034 -1.941) 11.784 2.566 ( 3.178 9.438 -15.195) 18.168 3.152 ( 6.833 5.715 -1.009) 8.965 3.380 ( -1.320 5.976 2.752) 6.710 3.558 ( 6.530 8.624 4.369) 11.666 3.644 ( 1.133 9.651 1.159) 9.786 3.950 ( 0.431 12.594 -0.595) 12.616 4.126 ( 1.885 21.317 -1.229) 21.435 4.626 ( 4.791 20.969 -4.981) 22.079 5.222 ( -3.170 -4.374 2.339) 5.886 7.432 ( 1.733 3.214 5.196) 6.350 8.504 ( -1.011 -0.178 -2.981) 3.153 8.834 ( 3.879 5.148 0.033) 6.445 9.158 ( 1.168 5.115 0.406) 5.262 9.424 ( -2.310 7.204 8.798) 11.604 9.539 ( 1.442 0.961 -9.550) 9.706 9.859 ( 5.353 -10.112 2.260) 11.662 10.833 ( -7.371 -18.371 3.509) 20.103 11.099 ( -9.309 -6.808 -5.013) 12.576 12.107 ( 5.383 3.200 -1.317) 6.399 13.866 ( 6.379 -0.941 1.856) 6.710 14.246 ( -5.296 8.261 2.028) 10.020 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 5.826 13.718 5.110) 15.755 2.518 ( 13.237 9.311 -2.305) 16.347 2.604 ( 5.872 15.908 1.356) 17.011 2.696 ( 5.882 6.995 -8.659) 12.589 3.365 ( 9.737 7.537 -1.278) 12.379 3.421 ( -1.286 4.631 3.610) 6.011 3.667 ( 0.471 -0.221 -1.605) 1.687 3.777 ( 6.316 7.129 3.243) 10.062 4.080 ( 1.460 12.851 -3.916) 13.513 4.429 ( 6.214 21.882 2.938) 22.936 4.899 ( 8.169 11.806 -1.397) 14.424 5.131 ( -5.429 1.536 0.295) 5.650 7.531 ( 3.539 5.610 3.015) 7.286 8.465 ( -2.188 -1.495 -1.167) 2.895 8.971 ( 5.426 5.915 -0.390) 8.036 9.232 ( 1.685 4.760 0.695) 5.097 9.487 ( -0.673 7.327 4.296) 8.520 9.586 ( 3.983 3.615 -5.806) 7.915 9.870 ( 4.398 -7.101 1.704) 8.525 10.535 ( -8.976 -13.006 3.332) 16.150 10.846 ( -9.696 -8.463 -4.004) 13.478 12.251 ( 6.321 5.981 -0.711) 8.731 13.956 ( 4.677 -2.105 -0.383) 5.143 14.234 ( -4.518 6.274 1.954) 7.974 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( 5.047 11.204 2.948) 12.637 2.745 ( 5.419 5.310 -1.340) 7.705 2.871 ( 5.819 10.184 -3.209) 12.160 2.907 ( 9.150 16.967 -0.782) 19.293 3.437 ( -1.456 1.762 3.429) 4.121 3.547 ( 2.838 1.602 -1.522) 3.596 3.696 ( 3.494 6.955 0.019) 7.784 3.960 ( 5.359 7.819 0.505) 9.493 4.238 ( 5.060 9.131 -2.795) 10.806 4.733 ( 7.314 13.137 2.555) 15.252 5.025 ( 0.047 -1.400 1.177) 1.830 5.172 ( 4.556 10.290 -1.054) 11.302 7.669 ( 4.731 6.694 1.998) 8.437 8.397 ( -2.586 -3.303 -0.416) 4.216 9.118 ( 4.159 6.820 -0.408) 7.998 9.313 ( 2.615 4.079 -0.031) 4.845 9.537 ( -0.343 3.566 0.331) 3.597 9.726 ( 5.317 8.230 -0.389) 9.806 9.856 ( -0.284 -3.319 -0.578) 3.381 10.325 ( -3.828 -7.856 3.207) 9.309 10.598 ( -7.317 -10.363 -2.723) 12.975 12.433 ( 5.810 9.957 -0.288) 11.532 13.963 ( -2.303 -0.223 -0.309) 2.334 14.233 ( 1.260 -1.640 0.767) 2.206 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( 1.071 8.488 0.638) 8.579 2.871 ( 5.116 4.503 0.651) 6.846 3.038 ( 1.233 12.114 -2.093) 12.355 3.174 ( 1.512 15.398 -1.595) 15.554 3.429 ( -0.483 -1.250 3.665) 3.902 3.565 ( 2.546 0.528 -1.135) 2.837 3.867 ( 2.011 12.849 0.804) 13.030 4.104 ( 1.887 8.599 -0.670) 8.829 4.407 ( 6.219 5.791 -1.563) 8.640 4.878 ( 0.051 1.384 2.421) 2.789 5.083 ( 5.350 5.686 -0.014) 7.807 5.332 ( 7.745 -0.791 0.708) 7.817 7.822 ( 4.533 6.585 2.241) 8.303 8.319 ( -1.697 -4.457 -1.239) 4.927 9.234 ( 1.048 7.407 -0.308) 7.488 9.393 ( 2.761 2.523 -0.566) 3.783 9.547 ( -2.258 2.604 1.346) 3.701 9.810 ( -1.914 0.825 -1.321) 2.468 9.892 ( 5.270 4.762 0.903) 7.160 10.238 ( -4.276 -0.818 -0.452) 4.377 10.412 ( 0.781 -12.078 -0.053) 12.103 12.634 ( 3.507 14.204 -0.125) 14.631 13.890 ( -5.214 -0.623 1.151) 5.376 14.237 ( 4.792 -8.357 -1.037) 9.689 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( -1.488 5.753 -1.086) 6.040 2.999 ( 2.646 5.813 2.897) 7.013 3.138 ( -2.106 10.181 -1.970) 10.582 3.238 ( -5.535 9.741 -4.221) 11.972 3.413 ( 0.190 -2.655 4.045) 4.842 3.671 ( 3.142 7.154 0.524) 7.831 3.990 ( -3.364 13.717 1.043) 14.162 4.190 ( -2.064 9.481 -0.578) 9.720 4.546 ( 5.222 3.175 -1.105) 6.210 4.857 ( -3.238 0.741 1.576) 3.677 5.227 ( 6.998 -0.468 0.257) 7.019 5.418 ( 7.327 -8.177 1.575) 11.092 7.942 ( 1.304 4.782 3.947) 6.336 8.258 ( 0.927 -4.519 -3.464) 5.769 9.295 ( -1.913 6.907 -0.470) 7.183 9.448 ( 1.358 1.430 -0.183) 1.981 9.532 ( -3.148 4.141 1.926) 5.547 9.804 ( 0.279 0.686 -0.198) 0.766 10.001 ( 3.999 1.080 1.414) 4.377 10.115 ( -5.461 -3.792 -3.486) 7.507 10.402 ( 4.849 -4.172 0.772) 6.442 12.811 ( -1.848 17.485 -0.229) 17.584 13.801 ( -2.782 -2.989 2.276) 4.675 14.226 ( 6.160 -12.038 -2.054) 13.678 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.871 ( -2.706 4.611 -1.274) 5.496 3.071 ( -3.881 6.646 5.111) 9.239 3.141 ( -2.810 3.451 -4.865) 6.593 3.235 ( -5.356 10.668 -3.443) 12.423 3.414 ( 1.974 -2.161 3.375) 4.467 3.737 ( -4.572 6.235 1.484) 7.873 4.027 ( -7.480 12.481 1.013) 14.586 4.219 ( -5.561 9.953 -0.426) 11.409 4.641 ( 2.979 1.174 -1.674) 3.613 4.800 ( -3.645 0.273 1.600) 3.990 5.294 ( 4.077 -5.852 0.220) 7.135 5.430 ( 5.043 -11.358 2.427) 12.662 7.952 ( -4.102 0.384 4.875) 6.382 8.262 ( 4.081 -2.106 -4.326) 6.309 9.311 ( -3.398 6.058 -0.555) 6.968 9.468 ( -0.311 0.839 0.257) 0.931 9.542 ( -2.099 6.337 1.275) 6.796 9.814 ( -0.890 0.576 1.906) 2.181 9.996 ( 0.078 -8.056 -2.588) 8.462 10.069 ( 1.901 2.107 -0.721) 2.928 10.438 ( 2.327 -2.256 0.025) 3.241 12.885 ( -9.541 16.285 -0.334) 18.877 13.773 ( 2.456 -2.267 2.544) 4.200 14.205 ( 6.776 -13.442 -2.219) 15.216 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 0.000 11.971 -0.223) 11.973 2.336 ( 0.000 7.808 3.588) 8.593 2.418 ( 0.000 14.999 -0.656) 15.013 2.613 ( -0.000 10.615 -7.306) 12.886 3.115 ( -0.000 3.210 -3.678) 4.882 3.465 ( 0.000 6.496 1.460) 6.658 3.575 ( 0.000 4.627 3.385) 5.734 3.710 ( 0.000 4.816 2.062) 5.239 4.090 ( -0.000 15.132 -3.796) 15.601 4.352 ( 0.000 26.178 2.521) 26.299 4.769 ( -0.000 15.821 -1.632) 15.905 5.236 ( -0.000 1.850 -0.097) 1.852 7.472 ( 0.000 5.496 5.030) 7.450 8.510 ( -0.000 0.368 -2.985) 3.008 8.848 ( 0.000 4.945 0.466) 4.967 9.198 ( 0.000 5.216 -0.077) 5.216 9.517 ( -0.000 3.252 -8.705) 9.293 9.554 ( 0.000 7.270 9.105) 11.651 9.689 ( 0.000 -11.890 1.620) 12.000 10.729 ( 0.000 -15.511 0.854) 15.535 11.113 ( -0.000 -7.976 -3.033) 8.533 12.074 ( -0.000 2.816 -1.313) 3.107 13.818 ( 0.000 1.198 0.498) 1.298 14.374 ( 0.000 7.431 1.971) 7.688 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 10.866 6.197 -3.061) 12.878 2.479 ( 3.284 11.473 4.469) 12.743 2.585 ( 6.884 8.291 -4.988) 11.875 2.735 ( 1.050 12.987 1.276) 13.091 3.222 ( 9.245 3.412 -3.483) 10.452 3.521 ( -1.291 6.088 2.733) 6.797 3.635 ( 2.651 0.502 -1.496) 3.085 3.766 ( 2.196 3.570 4.138) 5.889 4.213 ( -1.305 14.029 -4.624) 14.829 4.618 ( 0.583 23.842 2.973) 24.034 4.896 ( 2.332 5.362 0.711) 5.891 5.269 ( -3.127 10.957 -1.895) 11.551 7.559 ( 1.580 7.297 3.987) 8.464 8.486 ( -1.940 -1.024 -2.474) 3.307 8.935 ( 4.237 4.878 0.308) 6.469 9.258 ( 1.050 4.882 0.211) 4.998 9.535 ( 0.319 1.838 -5.904) 6.192 9.590 ( 1.795 1.749 1.293) 2.820 9.704 ( 5.115 -1.291 6.199) 8.140 10.544 ( -5.582 -11.828 0.397) 13.085 10.939 ( -9.119 -7.632 -2.679) 12.189 12.171 ( 7.319 3.666 -0.869) 8.232 13.862 ( 3.258 0.513 -0.837) 3.403 14.402 ( -5.020 6.265 2.153) 8.312 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 9.089 6.077 0.587) 10.949 2.673 ( 10.073 8.630 -0.851) 13.292 2.783 ( 8.251 5.614 -0.222) 9.982 2.915 ( 6.130 12.359 -0.787) 13.818 3.420 ( 7.252 2.931 -1.284) 7.926 3.551 ( -0.763 2.178 1.438) 2.719 3.674 ( 3.452 3.431 -0.620) 4.907 3.905 ( 8.009 4.538 1.898) 9.399 4.308 ( -1.114 11.520 -2.922) 11.937 4.820 ( 0.316 12.428 2.403) 12.663 4.975 ( 2.845 4.089 0.035) 4.982 5.323 ( -4.724 13.113 -1.319) 14.000 7.682 ( 2.968 8.049 2.778) 9.017 8.415 ( -3.303 -3.009 -1.557) 4.732 9.077 ( 6.398 4.691 0.028) 7.934 9.327 ( 1.358 4.512 0.379) 4.727 9.543 ( 1.705 -0.395 -3.300) 3.735 9.711 ( 8.004 2.928 -2.053) 8.767 9.783 ( 1.457 3.096 5.575) 6.542 10.335 ( -6.459 -8.394 1.411) 10.685 10.684 ( -11.113 -6.616 -2.665) 13.205 12.372 ( 10.275 6.337 -0.321) 12.076 13.910 ( 3.014 -1.938 -1.809) 4.014 14.342 ( -8.150 3.758 2.302) 9.265 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 6.564 3.768 0.087) 7.569 2.868 ( 1.872 8.228 1.376) 8.549 3.026 ( 11.520 6.851 -0.582) 13.416 3.169 ( 10.390 7.370 -0.610) 12.753 3.465 ( -1.998 1.047 -1.570) 2.749 3.549 ( 0.372 2.200 1.031) 2.458 3.873 ( 9.575 8.471 -0.094) 12.784 4.099 ( 7.260 5.918 0.068) 9.367 4.401 ( 1.676 8.031 -0.707) 8.234 4.887 ( 1.119 0.805 1.180) 1.814 5.085 ( 1.859 7.826 -0.313) 8.050 5.339 ( -5.014 6.646 -0.272) 8.330 7.826 ( 3.936 7.848 1.810) 8.964 8.316 ( -3.463 -4.337 -1.025) 5.644 9.232 ( 6.103 4.512 -0.012) 7.590 9.389 ( 1.005 3.523 0.096) 3.665 9.569 ( 1.840 0.184 -1.896) 2.648 9.797 ( 0.901 -1.426 0.708) 1.830 9.897 ( 3.761 7.533 0.170) 8.422 10.210 ( 1.015 -6.169 3.155) 7.003 10.433 ( -10.977 -4.314 -2.760) 12.112 12.633 ( 10.593 10.077 0.026) 14.620 13.911 ( 0.940 -4.017 -1.928) 4.554 14.217 ( -8.501 -0.777 1.950) 8.756 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( 2.483 3.565 0.246) 4.352 2.973 ( 2.952 5.803 0.375) 6.521 3.227 ( 3.597 6.502 -0.669) 7.461 3.304 ( 0.951 -0.573 0.382) 1.174 3.435 ( -0.613 0.842 -0.547) 1.176 3.683 ( 6.139 10.799 0.219) 12.424 4.101 ( 5.890 10.149 0.248) 11.737 4.238 ( 2.640 5.214 -0.505) 5.865 4.520 ( 3.801 5.790 -0.110) 6.927 4.917 ( 0.810 1.769 0.670) 2.058 5.161 ( 1.183 2.047 -0.104) 2.367 5.284 ( -2.488 -3.754 0.254) 4.511 7.970 ( 3.537 7.149 1.870) 8.192 8.212 ( -2.558 -5.434 -1.563) 6.206 9.361 ( 3.012 5.091 0.010) 5.915 9.428 ( 0.975 1.538 -0.177) 1.830 9.592 ( 0.074 1.171 0.020) 1.173 9.778 ( -0.541 -1.230 -0.591) 1.468 9.991 ( 1.510 3.430 1.749) 4.136 10.182 ( -3.675 -9.673 -1.063) 10.402 10.300 ( 1.572 4.765 -0.149) 5.020 12.918 ( 8.248 14.147 0.055) 16.375 13.853 ( -3.122 -3.612 -0.263) 4.781 14.064 ( -3.718 -8.105 0.219) 8.920 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( -2.428 5.275 -0.196) 5.810 3.076 ( 4.810 1.129 0.154) 4.943 3.233 ( -5.329 1.343 -0.685) 5.538 3.316 ( 2.562 -1.050 0.001) 2.768 3.459 ( -2.130 6.352 0.440) 6.714 3.856 ( 0.784 8.667 0.374) 8.710 4.234 ( -3.363 10.061 -1.150) 10.670 4.321 ( 2.590 3.907 1.903) 5.060 4.629 ( 2.359 5.550 -1.331) 6.175 4.920 ( -5.955 5.625 0.533) 8.209 5.169 ( 2.201 -5.512 0.297) 5.943 5.221 ( 5.088 -11.654 0.919) 12.750 8.047 ( -4.085 2.227 6.084) 7.659 8.157 ( 4.388 -2.266 -5.863) 7.666 9.414 ( -2.044 4.886 -0.333) 5.307 9.466 ( 1.654 0.578 0.110) 1.756 9.602 ( -0.577 2.487 0.248) 2.565 9.774 ( 2.700 -3.117 1.001) 4.243 9.998 ( -6.154 -3.930 2.142) 7.609 10.064 ( 1.907 1.989 -3.424) 4.395 10.390 ( 2.712 1.563 0.111) 3.132 13.154 ( -0.599 16.729 -0.332) 16.743 13.753 ( -3.077 -2.544 2.363) 4.639 13.957 ( 4.140 -13.736 -2.031) 14.490 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -0.000 3.509 -2.947) 4.583 2.568 ( 0.000 9.860 6.162) 11.627 2.579 ( -0.000 5.778 -7.138) 9.184 2.873 ( 0.000 13.916 3.562) 14.365 3.155 ( -0.000 2.820 -3.288) 4.332 3.600 ( -0.000 -0.726 -0.402) 0.830 3.602 ( 0.000 6.352 0.789) 6.401 3.772 ( 0.000 -0.225 2.834) 2.843 4.351 ( -0.000 12.972 -4.027) 13.583 4.830 ( 0.000 13.783 3.644) 14.256 4.932 ( -0.000 9.058 -0.659) 9.082 5.422 ( -0.000 14.511 -2.015) 14.650 7.633 ( 0.000 8.347 3.932) 9.226 8.488 ( -0.000 -1.364 -3.378) 3.643 8.943 ( 0.000 4.313 0.652) 4.362 9.294 ( -0.000 4.481 -0.208) 4.486 9.468 ( 0.000 -10.805 1.037) 10.854 9.561 ( -0.000 5.010 -5.689) 7.580 9.767 ( 0.000 9.582 7.503) 12.170 10.488 ( -0.000 -9.010 -1.205) 9.090 10.938 ( -0.000 -8.591 -1.772) 8.771 12.125 ( -0.000 2.747 -0.924) 2.899 13.853 ( -0.000 2.337 -1.235) 2.643 14.508 ( 0.000 5.035 2.246) 5.514 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 12.826 3.170 -0.716) 13.232 2.638 ( 2.785 4.420 -3.168) 6.109 2.726 ( 6.628 7.075 3.067) 10.168 2.981 ( -1.218 9.764 -0.115) 9.840 3.293 ( 10.655 5.328 -0.534) 11.925 3.580 ( -1.064 -0.484 0.291) 1.205 3.669 ( 0.665 3.033 -0.866) 3.223 3.809 ( 5.789 0.050 1.594) 6.004 4.446 ( -1.838 10.975 -2.562) 11.419 4.875 ( -0.145 -0.550 2.508) 2.572 5.081 ( -0.691 17.132 -1.344) 17.198 5.526 ( -3.598 12.782 -1.352) 13.348 7.734 ( 1.257 8.310 2.921) 8.898 8.438 ( -2.774 -2.389 -2.695) 4.546 9.022 ( 4.292 3.664 0.518) 5.667 9.346 ( 1.182 3.819 0.099) 3.999 9.424 ( 5.565 -8.194 -0.675) 9.928 9.624 ( 2.873 4.564 -2.644) 6.006 9.872 ( -0.432 9.045 5.552) 10.622 10.367 ( -4.916 -5.986 -1.077) 7.820 10.778 ( -7.658 -7.668 -1.661) 10.964 12.237 ( 9.443 3.270 -0.549) 10.009 13.875 ( 0.323 1.225 -1.770) 2.177 14.508 ( -5.477 3.555 2.362) 6.944 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( 5.484 3.331 1.557) 6.602 2.762 ( 17.998 2.955 -1.339) 18.288 2.924 ( 6.960 6.167 3.425) 9.910 3.065 ( 4.662 4.323 -3.245) 7.138 3.483 ( 1.401 2.057 -2.620) 3.614 3.573 ( 1.240 2.901 2.106) 3.793 3.748 ( 9.334 2.602 -1.359) 9.785 3.974 ( 10.829 1.995 0.978) 11.054 4.499 ( -2.494 8.562 -1.051) 8.980 4.864 ( 0.296 -1.983 1.037) 2.257 5.199 ( -2.350 12.214 -1.280) 12.504 5.534 ( -7.437 8.110 -0.955) 11.046 7.848 ( 2.540 7.140 1.019) 7.647 8.345 ( -4.223 -3.008 -0.779) 5.243 9.151 ( 6.634 2.725 0.347) 7.180 9.404 ( 1.406 2.940 0.367) 3.280 9.472 ( 6.884 -4.112 -2.484) 8.395 9.727 ( 5.153 2.008 0.143) 5.532 9.952 ( -0.574 7.333 2.580) 7.795 10.215 ( -6.433 -4.159 0.615) 7.685 10.563 ( -8.972 -4.576 -1.758) 10.224 12.486 ( 14.414 5.018 -0.102) 15.263 13.867 ( -0.748 -1.388 -2.239) 2.738 14.405 ( -10.121 1.632 2.385) 10.525 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( 5.877 1.427 0.946) 6.121 3.012 ( 3.269 5.836 -0.948) 6.756 3.129 ( 11.483 3.115 0.710) 11.919 3.215 ( 9.430 -0.693 2.793) 9.859 3.439 ( -2.415 -1.226 -3.664) 4.556 3.673 ( 4.964 6.832 -0.169) 8.447 3.995 ( 13.132 4.000 -0.650) 13.743 4.187 ( 9.863 2.976 0.151) 10.303 4.541 ( -0.261 6.102 0.478) 6.126 4.862 ( 2.385 -2.492 -0.076) 3.450 5.231 ( -4.172 5.877 -0.722) 7.243 5.427 ( -10.907 2.546 -1.032) 11.247 7.962 ( 3.963 4.684 -1.900) 6.423 8.240 ( -4.855 -2.590 1.900) 5.821 9.292 ( 7.012 1.721 0.343) 7.228 9.447 ( 0.565 2.098 0.145) 2.178 9.545 ( 4.700 -0.842 -2.029) 5.188 9.804 ( 0.759 1.265 -0.152) 1.483 10.007 ( 0.236 3.929 -0.322) 3.949 10.092 ( -1.750 -6.741 3.190) 7.660 10.409 ( -6.077 1.624 -1.233) 6.410 12.809 ( 16.036 7.083 0.230) 17.532 13.817 ( -1.289 -3.748 -2.470) 4.670 14.212 ( -13.374 -0.774 2.262) 13.586 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -0.000 1.952 -0.353) 1.984 2.648 ( -0.000 3.380 -0.266) 3.391 2.726 ( 0.000 4.654 0.090) 4.655 3.122 ( -0.000 10.100 -0.891) 10.140 3.209 ( 0.000 3.256 1.125) 3.445 3.582 ( -0.000 -0.737 -0.044) 0.738 3.708 ( -0.000 4.128 -0.597) 4.171 3.727 ( -0.000 -4.167 -0.379) 4.184 4.557 ( -0.000 9.043 -1.600) 9.184 4.867 ( 0.000 -1.860 1.773) 2.570 5.248 ( -0.000 14.889 -1.849) 15.003 5.670 ( -0.000 10.080 -1.356) 10.171 7.808 ( 0.000 7.229 2.242) 7.569 8.438 ( -0.000 -1.760 -2.878) 3.373 9.017 ( 0.000 2.791 0.806) 2.905 9.285 ( -0.000 -7.577 -0.203) 7.579 9.369 ( 0.000 2.902 0.286) 2.916 9.649 ( -0.000 5.014 -1.286) 5.176 9.971 ( 0.000 7.462 4.091) 8.510 10.367 ( -0.000 -2.167 -1.862) 2.858 10.763 ( -0.000 -8.582 -1.018) 8.642 12.171 ( -0.000 2.164 -0.547) 2.232 13.892 ( -0.000 2.125 -1.887) 2.842 14.592 ( 0.000 2.539 2.404) 3.497 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 13.772 1.480 0.456) 13.859 2.703 ( 2.523 2.933 2.768) 4.757 2.824 ( 7.458 2.292 -1.735) 7.993 3.112 ( -3.840 4.552 -1.427) 6.124 3.412 ( 11.279 5.511 0.242) 12.556 3.567 ( 0.028 -0.707 -0.080) 0.712 3.669 ( -0.123 -2.007 -1.668) 2.612 3.820 ( 7.934 0.903 -0.194) 7.988 4.616 ( -1.966 6.930 -0.619) 7.230 4.847 ( -0.269 -2.260 0.814) 2.417 5.352 ( -2.130 10.379 -1.722) 10.735 5.708 ( -4.567 5.874 -1.650) 7.622 7.880 ( 0.987 4.839 0.397) 4.954 8.389 ( -3.234 -1.141 -0.921) 3.551 9.080 ( 4.195 1.873 0.711) 4.649 9.285 ( 7.108 -5.083 -1.041) 8.801 9.405 ( 1.178 2.022 0.129) 2.343 9.706 ( 1.512 3.779 0.787) 4.146 10.027 ( -0.664 3.625 1.611) 4.022 10.314 ( -5.759 1.582 -0.722) 6.016 10.627 ( -5.243 -6.830 -0.892) 8.657 12.289 ( 11.015 2.097 -0.267) 11.216 13.890 ( -1.812 0.980 -2.149) 2.977 14.566 ( -5.896 1.327 2.416) 6.508 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( 10.060 0.039 -0.508) 10.073 2.836 ( 13.326 2.973 3.782) 14.167 2.998 ( 10.749 -0.060 0.115) 10.750 3.115 ( 0.758 2.708 -0.788) 2.920 3.474 ( -2.918 -0.127 -2.970) 4.166 3.658 ( 1.696 1.796 -0.446) 2.510 3.758 ( 16.063 0.368 -1.157) 16.108 4.000 ( 12.167 0.472 0.576) 12.190 4.631 ( -2.755 5.028 0.257) 5.739 4.820 ( -0.064 -2.677 -0.293) 2.693 5.368 ( -4.670 5.226 -0.992) 7.079 5.623 ( -9.096 1.532 -2.147) 9.471 7.933 ( 1.968 1.116 -2.568) 3.422 8.316 ( -4.525 0.184 2.221) 5.044 9.188 ( 6.418 0.921 0.596) 6.511 9.399 ( 9.553 -1.629 -2.190) 9.935 9.444 ( 1.647 0.908 0.056) 1.882 9.772 ( 2.516 1.706 1.703) 3.485 10.034 ( -0.235 0.074 0.010) 0.247 10.187 ( -10.212 0.567 0.726) 10.254 10.498 ( -4.398 -1.178 -0.602) 4.593 12.558 ( 17.198 2.061 0.075) 17.321 13.840 ( -3.541 -0.258 -2.401) 4.286 14.431 ( -11.168 0.059 2.346) 11.412 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 0.000 1.056 1.362) 1.723 2.721 ( 0.000 3.152 5.078) 5.976 2.758 ( -0.000 -0.109 -4.742) 4.744 3.239 ( -0.000 2.489 -5.620) 6.147 3.283 ( 0.000 2.473 5.056) 5.628 3.559 ( -0.000 -1.702 -1.400) 2.203 3.655 ( -0.000 -1.526 -0.347) 1.565 3.755 ( -0.000 1.112 -1.820) 2.133 4.691 ( 0.000 4.893 0.103) 4.894 4.827 ( 0.000 -2.576 0.156) 2.581 5.452 ( -0.000 6.308 -1.358) 6.453 5.784 ( -0.000 2.205 -2.550) 3.371 7.905 ( -0.000 1.646 -0.332) 1.679 8.415 ( -0.000 0.564 -0.680) 0.883 9.056 ( 0.000 0.758 1.098) 1.334 9.176 ( -0.000 -3.135 -0.867) 3.252 9.410 ( 0.000 1.114 0.156) 1.125 9.734 ( 0.000 3.254 2.172) 3.913 10.048 ( -0.000 -0.507 -0.827) 0.970 10.406 ( 0.000 5.544 -0.154) 5.546 10.600 ( -0.000 -6.800 -0.449) 6.815 12.202 ( -0.000 1.149 -0.238) 1.173 13.914 ( -0.000 0.916 -2.215) 2.397 14.631 ( 0.000 0.469 2.438) 2.483 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 12.929 0.331 1.381) 13.007 2.780 ( 2.641 2.336 3.773) 5.164 2.813 ( 7.726 -1.252 -2.178) 8.124 3.152 ( -3.301 -0.302 -1.920) 3.831 3.473 ( 12.143 -0.432 0.386) 12.157 3.524 ( -1.043 -1.444 -2.196) 2.828 3.652 ( 0.785 0.793 -0.419) 1.192 3.824 ( 7.869 -0.357 -1.181) 7.965 4.714 ( -1.867 2.967 0.927) 3.626 4.797 ( -0.359 -2.742 -0.928) 2.917 5.464 ( -2.657 1.161 -0.497) 2.942 5.739 ( -4.893 -1.308 -3.352) 6.073 7.906 ( 0.414 -1.802 -1.559) 2.419 8.396 ( -3.168 1.546 0.747) 3.604 9.103 ( 4.233 0.202 0.986) 4.351 9.222 ( 7.711 -0.765 -1.590) 7.910 9.426 ( 1.055 0.122 0.112) 1.068 9.773 ( 0.655 2.041 3.504) 4.107 10.022 ( -0.227 -3.018 -2.354) 3.834 10.369 ( -8.418 0.265 0.536) 8.440 10.545 ( -2.005 1.151 -0.354) 2.338 12.314 ( 11.489 0.450 -0.043) 11.498 13.892 ( -2.495 0.204 -2.351) 3.434 14.584 ( -6.110 -0.488 2.410) 6.586 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 0.000 0.580 2.587) 2.652 2.691 ( -0.000 -4.060 -6.243) 7.447 2.816 ( 0.000 3.689 6.860) 7.789 3.153 ( -0.000 -7.850 -6.661) 10.295 3.338 ( 0.000 0.396 5.927) 5.940 3.546 ( -0.000 1.610 -1.303) 2.071 3.650 ( -0.000 0.249 -1.285) 1.309 3.736 ( -0.000 -2.032 -2.565) 3.272 4.748 ( 0.000 -0.746 1.663) 1.822 4.776 ( -0.000 -0.921 -1.712) 1.945 5.470 ( -0.000 -4.805 0.028) 4.805 5.747 ( -0.000 -3.737 -3.938) 5.429 7.871 ( -0.000 -4.290 -0.575) 4.329 8.444 ( -0.000 2.039 -0.640) 2.137 9.064 ( 0.000 -0.480 1.496) 1.571 9.149 ( -0.000 0.832 -1.587) 1.792 9.414 ( 0.000 -0.724 0.161) 0.742 9.796 ( 0.000 1.575 4.927) 5.173 9.972 ( -0.000 -5.948 -3.754) 7.034 10.419 ( -0.000 -4.243 0.170) 4.247 10.615 ( 0.000 8.044 -0.285) 8.049 12.213 ( -0.000 -0.052 -0.025) 0.058 13.906 ( -0.000 -0.680 -2.375) 2.470 14.633 ( 0.000 -1.383 2.442) 2.806 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 0.000 -0.000 23.682) 23.682 0.705 ( 0.000 -0.000 23.682) 23.682 1.539 ( 0.000 -0.000 48.995) 48.995 2.017 ( -0.000 0.000 -13.818) 13.818 2.017 ( -0.000 0.000 -13.818) 13.818 2.836 ( 0.000 -0.000 7.148) 7.148 2.836 ( 0.000 -0.000 7.148) 7.148 3.320 ( -0.000 0.000 -2.860) 2.860 3.320 ( -0.000 0.000 -2.860) 2.860 3.543 ( -0.000 0.000 -39.188) 39.188 4.223 ( -0.000 0.000 -1.751) 1.751 5.595 ( 0.000 -0.000 9.687) 9.687 8.606 ( -0.000 0.000 -0.061) 0.061 8.606 ( -0.000 0.000 -0.061) 0.061 8.912 ( 0.000 -0.000 0.157) 0.157 8.912 ( 0.000 -0.000 0.157) 0.157 9.201 ( 0.000 -0.000 0.899) 0.899 9.511 ( -0.000 0.000 -0.977) 0.977 10.252 ( 0.000 -0.000 1.798) 1.798 10.252 ( 0.000 -0.000 1.798) 1.798 11.971 ( -0.000 0.000 -1.503) 1.503 11.971 ( -0.000 0.000 -1.503) 1.503 13.135 ( 0.000 -0.000 0.873) 0.873 16.107 ( -0.000 0.000 -1.145) 1.145 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 15.246 8.802 17.671) 24.944 1.109 ( 22.718 13.116 15.734) 30.589 1.720 ( 9.513 5.492 22.044) 24.629 2.073 ( 6.568 3.792 -14.277) 16.167 2.210 ( 17.568 10.143 2.201) 20.405 2.838 ( -0.432 -0.249 7.585) 7.602 2.999 ( 10.546 6.089 5.244) 13.258 3.325 ( 0.842 0.486 -2.797) 2.961 3.389 ( 6.734 3.888 -8.627) 11.615 3.562 ( 9.587 5.535 -29.235) 31.261 4.171 ( -3.568 -2.060 -3.632) 5.493 5.558 ( -4.839 -2.794 9.707) 11.201 7.922 ( -32.515 -18.773 25.890) 45.607 8.636 ( 2.161 1.248 -0.268) 2.510 8.745 ( -3.866 -2.232 -9.726) 10.702 8.927 ( 1.547 0.893 0.314) 1.814 9.217 ( -3.911 -2.258 2.961) 5.400 9.544 ( 4.939 2.851 -5.160) 7.691 10.203 ( -4.230 -2.442 2.049) 5.296 10.937 ( 23.451 13.539 -12.258) 29.724 11.933 ( -2.282 -1.318 -4.672) 5.364 11.983 ( 1.045 0.603 -1.691) 2.077 13.305 ( 14.241 8.222 0.849) 16.466 15.156 ( -56.924 -32.865 31.755) 72.998 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 17.663 10.198 11.936) 23.632 1.585 ( 16.113 9.303 14.861) 23.813 2.076 ( 18.317 10.575 -9.487) 23.180 2.230 ( 9.422 5.440 -14.559) 18.175 2.732 ( 25.346 14.634 14.354) 32.598 2.854 ( 0.405 0.234 8.359) 8.372 3.259 ( 10.683 6.168 2.801) 12.649 3.350 ( 1.947 1.124 -2.487) 3.353 3.598 ( 13.970 8.066 -11.507) 19.815 3.823 ( 13.328 7.695 -9.596) 18.137 4.099 ( 1.662 0.959 -9.756) 9.943 5.432 ( -7.598 -4.387 7.695) 11.670 7.530 ( -8.797 -5.079 14.451) 17.664 8.626 ( -4.267 -2.464 -10.235) 11.359 8.700 ( 3.488 2.014 -0.717) 4.091 8.983 ( 3.164 1.827 0.675) 3.715 9.163 ( -1.433 -0.827 8.987) 9.138 9.638 ( 4.437 2.562 -8.423) 9.859 10.076 ( -7.259 -4.191 2.496) 8.746 11.070 ( -5.211 -3.009 1.461) 6.192 11.765 ( -11.908 -6.875 -8.883) 16.370 12.008 ( 1.498 0.865 -2.005) 2.648 13.680 ( 14.849 8.573 -0.296) 17.149 14.273 ( -23.653 -13.656 23.139) 35.796 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 14.878 8.590 8.112) 18.998 1.951 ( 14.168 8.180 9.665) 19.001 2.409 ( 8.429 4.866 -12.739) 16.032 2.426 ( 14.376 8.300 -12.827) 20.978 2.902 ( 2.541 1.467 7.441) 7.998 3.345 ( 23.779 13.729 8.462) 28.732 3.407 ( 3.442 1.987 -1.700) 4.323 3.494 ( 9.334 5.389 2.644) 11.098 3.893 ( 0.934 0.539 -1.760) 2.064 3.954 ( 16.659 9.618 -5.718) 20.068 4.402 ( 21.565 12.451 -10.297) 26.947 5.266 ( -7.686 -4.438 5.331) 10.353 7.479 ( 1.067 0.616 4.344) 4.516 8.527 ( -2.841 -1.640 -5.402) 6.320 8.786 ( 4.178 2.412 -1.200) 4.971 9.070 ( 4.250 2.454 1.097) 5.029 9.191 ( 2.133 1.231 9.438) 9.754 9.714 ( 4.147 2.394 -9.197) 10.369 9.892 ( -9.175 -5.297 2.649) 10.921 10.864 ( -12.022 -6.941 8.260) 16.153 11.433 ( -13.663 -7.888 -7.617) 17.519 12.042 ( 1.811 1.046 -2.076) 2.947 13.798 ( -2.247 -1.297 3.971) 4.744 14.199 ( 8.585 4.957 4.738) 10.987 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 10.172 5.873 4.597) 12.614 2.272 ( 12.463 7.195 4.565) 15.097 2.545 ( 5.416 3.127 -6.633) 9.117 2.685 ( 10.698 6.177 -6.841) 14.121 3.004 ( 5.242 3.026 2.856) 6.693 3.497 ( 4.544 2.624 -0.457) 5.267 3.629 ( 2.147 1.240 -2.921) 3.831 3.711 ( 5.993 3.460 5.077) 8.582 4.033 ( 13.265 7.658 -0.673) 15.331 4.386 ( 20.620 11.905 0.186) 23.810 4.834 ( 14.252 8.228 -5.106) 17.230 5.161 ( 0.583 0.337 3.456) 3.521 7.559 ( 5.136 2.965 -0.584) 5.959 8.468 ( -2.057 -1.187 -0.144) 2.379 8.879 ( 4.182 2.414 -1.450) 5.042 9.174 ( 4.497 2.596 1.418) 5.382 9.303 ( 6.034 3.484 6.545) 9.559 9.680 ( -9.751 -5.630 2.144) 11.462 9.795 ( 4.819 2.782 -8.187) 9.899 10.614 ( -10.740 -6.201 7.220) 14.350 11.149 ( -10.254 -5.920 -4.180) 12.556 12.081 ( 2.048 1.182 -1.706) 2.916 13.780 ( 0.402 0.232 2.634) 2.674 14.407 ( 7.917 4.571 0.169) 9.143 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 5.678 3.278 1.164) 6.659 2.524 ( 9.059 5.230 -0.280) 10.464 2.634 ( 3.276 1.891 0.246) 3.791 2.896 ( 8.685 5.014 -0.027) 10.028 3.137 ( 5.956 3.439 -2.066) 7.181 3.602 ( 4.422 2.553 0.852) 5.176 3.615 ( -1.385 -0.800 -1.805) 2.412 3.773 ( -0.705 -0.407 2.731) 2.850 4.328 ( 11.700 6.755 -1.867) 13.638 4.835 ( 15.142 8.742 2.499) 17.662 4.934 ( 2.312 1.335 -0.044) 2.670 5.389 ( 13.697 7.908 0.278) 15.818 7.693 ( 6.455 3.727 -1.616) 7.627 8.428 ( -1.635 -0.944 2.267) 2.951 8.965 ( 3.560 2.056 -1.376) 4.335 9.271 ( 3.396 1.961 1.881) 4.350 9.472 ( -8.395 -4.847 0.745) 9.722 9.478 ( 7.908 4.566 2.703) 9.523 9.900 ( 5.659 3.267 -5.678) 8.657 10.425 ( -6.814 -3.934 4.531) 9.080 10.936 ( -8.270 -4.775 -1.347) 9.644 12.126 ( 2.092 1.208 -1.007) 2.618 13.815 ( 1.874 1.082 2.108) 3.021 14.549 ( 4.762 2.749 -1.360) 5.664 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 2.708 1.563 -1.112) 3.319 2.678 ( 5.171 2.985 -4.204) 7.302 2.696 ( 1.653 0.955 4.324) 4.727 3.080 ( 6.783 3.916 4.679) 9.123 3.251 ( 4.598 2.655 -4.858) 7.197 3.583 ( -1.314 -0.758 0.145) 1.524 3.691 ( 3.023 1.745 1.858) 3.954 3.717 ( -3.707 -2.140 0.824) 4.359 4.550 ( 8.044 4.644 -0.449) 9.300 4.874 ( -1.848 -1.067 0.820) 2.286 5.227 ( 12.963 7.484 1.060) 15.006 5.649 ( 8.330 4.809 1.633) 9.756 7.827 ( 5.130 2.962 -0.641) 5.958 8.406 ( -0.610 -0.352 1.853) 1.982 9.031 ( 2.373 1.370 -1.177) 2.982 9.267 ( -5.269 -3.042 2.328) 6.514 9.378 ( 1.374 0.793 -0.811) 1.782 9.646 ( 6.218 3.590 -0.717) 7.216 10.011 ( 3.986 2.301 -1.823) 4.950 10.339 ( -0.819 -0.473 2.119) 2.320 10.757 ( -7.466 -4.310 -0.120) 8.621 12.169 ( 1.764 1.019 -0.298) 2.059 13.863 ( 1.780 1.027 2.213) 3.020 14.624 ( 2.267 1.309 -2.135) 3.378 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 1.174 0.678 -2.118) 2.515 2.722 ( -0.537 -0.310 5.934) 5.966 2.758 ( 3.295 1.902 -6.034) 7.133 3.198 ( 1.695 0.979 6.430) 6.722 3.320 ( 2.439 1.408 -5.980) 6.610 3.548 ( -1.743 -1.006 1.654) 2.604 3.654 ( -1.271 -0.734 0.129) 1.474 3.741 ( 0.804 0.464 2.421) 2.593 4.692 ( 4.522 2.611 -0.285) 5.229 4.825 ( -2.503 -1.445 0.742) 2.984 5.445 ( 5.776 3.335 0.426) 6.683 5.765 ( 1.487 0.858 3.141) 3.580 7.902 ( 1.061 0.613 0.584) 1.357 8.411 ( 0.855 0.494 0.627) 1.170 9.064 ( 0.731 0.422 -1.240) 1.500 9.169 ( -2.789 -1.610 1.227) 3.446 9.411 ( 0.941 0.543 -0.171) 1.100 9.751 ( 3.473 2.005 -3.065) 5.048 10.039 ( -1.399 -0.808 1.989) 2.562 10.406 ( 5.227 3.018 -0.011) 6.035 10.598 ( -5.903 -3.408 0.218) 6.820 12.201 ( 1.004 0.580 0.100) 1.163 13.898 ( 0.781 0.451 2.366) 2.532 14.648 ( 0.395 0.228 -2.468) 2.510 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 0.000 17.155 17.760) 24.692 1.149 ( 0.000 26.040 14.608) 29.858 1.797 ( 0.000 10.966 15.960) 19.365 2.005 ( -0.000 5.250 -13.053) 14.070 2.228 ( 0.000 21.243 6.082) 22.096 2.890 ( 0.000 1.826 6.135) 6.401 2.971 ( 0.000 9.749 6.543) 11.741 3.307 ( -0.000 0.232 -2.807) 2.817 3.358 ( -0.000 5.552 -17.529) 18.388 3.507 ( -0.000 13.278 -21.461) 25.237 4.165 ( -0.000 -4.301 -3.208) 5.365 5.580 ( 0.000 -5.535 9.745) 11.207 7.966 ( 0.000 -39.661 25.571) 47.189 8.618 ( 0.000 1.659 0.098) 1.662 8.714 ( -0.000 -5.758 -9.909) 11.460 8.940 ( 0.000 2.378 0.050) 2.378 9.228 ( 0.000 -0.984 2.317) 2.517 9.521 ( -0.000 2.796 -4.216) 5.059 10.222 ( 0.000 -4.237 1.686) 4.560 10.961 ( -0.000 34.580 -13.848) 37.249 11.882 ( -0.000 -10.105 -0.695) 10.129 11.967 ( -0.000 0.684 -1.395) 1.553 13.300 ( 0.000 15.161 1.207) 15.209 15.244 ( 0.000 -60.608 25.265) 65.663 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 10.791 19.295 13.083) 25.689 1.515 ( 9.859 18.422 13.730) 25.002 1.971 ( 5.818 15.108 -8.332) 18.208 2.132 ( 7.736 8.932 -13.528) 17.962 2.606 ( 13.517 23.022 17.494) 31.918 2.915 ( -1.057 4.615 6.779) 8.269 3.163 ( 7.506 8.036 3.193) 11.451 3.331 ( 2.457 1.917 -2.264) 3.852 3.458 ( 8.322 10.067 -17.410) 21.765 3.706 ( 8.814 16.425 -10.741) 21.514 4.091 ( -1.998 -2.873 -6.095) 7.029 5.498 ( -4.361 -7.025 8.244) 11.676 7.617 ( -7.738 -16.939 18.647) 26.354 8.617 ( -1.884 -4.969 -9.937) 11.268 8.669 ( 2.828 2.643 -0.212) 3.876 8.976 ( 1.123 3.497 0.328) 3.688 9.221 ( -2.112 1.415 6.983) 7.431 9.557 ( 3.237 0.781 -7.341) 8.061 10.151 ( -3.374 -4.322 2.010) 5.840 11.151 ( -3.909 7.541 -5.555) 10.149 11.713 ( -3.365 -18.010 -2.987) 18.564 12.012 ( 2.477 2.303 -2.573) 4.250 13.572 ( 11.064 16.098 0.998) 19.559 14.536 ( -22.596 -32.930 21.729) 45.466 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 10.620 19.242 9.110) 23.791 1.866 ( 10.279 13.019 10.918) 19.858 2.241 ( 12.433 10.192 -12.596) 20.424 2.335 ( 7.389 11.163 -14.400) 19.662 2.951 ( 0.199 6.860 7.711) 10.323 3.171 ( 17.644 21.256 12.690) 30.400 3.335 ( 6.124 2.044 -1.593) 6.650 3.446 ( 5.668 8.323 0.944) 10.113 3.747 ( 15.298 11.888 -9.754) 21.691 3.897 ( -0.107 -0.017 -1.624) 1.627 4.198 ( 14.808 15.623 -10.608) 23.998 5.346 ( -6.583 -7.076 5.825) 11.284 7.478 ( -0.945 -4.036 8.123) 9.120 8.529 ( -1.591 -2.625 -6.660) 7.333 8.756 ( 3.426 4.158 -0.881) 5.460 9.048 ( 2.600 4.173 0.838) 4.988 9.228 ( -1.347 3.118 9.635) 10.216 9.606 ( 4.857 -1.411 -8.954) 10.284 10.034 ( -7.373 -1.767 1.969) 7.833 11.006 ( -11.433 -6.311 6.206) 14.458 11.420 ( -5.566 -20.367 -7.597) 22.439 12.061 ( 0.525 4.089 -2.231) 4.688 13.873 ( 2.338 10.280 0.627) 10.561 14.122 ( -1.981 -8.246 9.998) 13.110 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 6.338 17.570 5.881) 19.582 2.179 ( 10.160 11.150 6.309) 16.351 2.489 ( 7.347 8.231 -8.505) 13.930 2.545 ( 10.062 8.355 -9.997) 16.462 3.044 ( -0.122 9.759 5.623) 11.264 3.445 ( 5.214 2.790 -1.678) 6.146 3.596 ( 5.878 6.987 -0.318) 9.136 3.646 ( 8.388 8.503 3.963) 12.584 3.918 ( 6.541 3.903 -0.049) 7.617 4.156 ( 19.688 12.941 -2.306) 23.673 4.645 ( 18.093 15.154 -6.222) 24.407 5.188 ( -4.787 -5.367 4.298) 8.379 7.505 ( 3.693 1.346 1.359) 4.160 8.480 ( -1.169 -1.332 -1.875) 2.580 8.857 ( 3.040 5.281 -1.326) 6.236 9.145 ( 3.448 4.228 1.158) 5.577 9.291 ( 2.006 4.823 8.334) 9.836 9.652 ( 4.354 -2.709 -6.848) 8.555 9.883 ( -9.355 1.547 -0.173) 9.484 10.733 ( -11.096 -10.373 7.916) 17.128 11.142 ( -4.097 -15.868 -6.010) 17.456 12.110 ( -0.034 6.032 -1.549) 6.228 13.846 ( -5.469 3.739 2.866) 7.219 14.269 ( 11.354 1.110 0.808) 11.436 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 1.142 15.401 2.734) 15.683 2.447 ( 8.202 9.020 2.099) 12.371 2.638 ( 2.745 8.734 -4.003) 9.992 2.773 ( 9.946 4.822 -2.582) 11.351 3.164 ( 0.832 11.447 1.644) 11.594 3.558 ( 4.590 3.210 -0.497) 5.623 3.625 ( -1.472 -0.355 -1.257) 1.968 3.795 ( 1.627 4.288 1.850) 4.945 4.177 ( 12.923 6.978 -1.458) 14.759 4.627 ( 19.733 11.589 1.680) 22.946 4.931 ( 1.625 3.006 -1.522) 3.740 5.219 ( 12.381 4.195 1.656) 13.177 7.617 ( 6.054 3.670 -1.226) 7.185 8.443 ( -1.354 -1.804 1.451) 2.682 8.953 ( 2.223 5.623 -1.303) 6.185 9.248 ( 3.444 4.064 1.043) 5.429 9.421 ( 4.750 5.274 4.821) 8.580 9.602 ( -7.288 -1.083 0.560) 7.390 9.832 ( 2.555 3.049 -6.242) 7.402 10.494 ( -7.311 -8.607 4.993) 12.348 10.934 ( -2.936 -12.996 -2.130) 13.492 12.171 ( -0.749 8.112 -0.935) 8.200 13.828 ( -1.450 2.769 2.156) 3.797 14.440 ( 8.470 -0.886 -1.154) 8.594 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -2.948 13.713 0.255) 14.029 2.632 ( 4.606 6.233 -2.051) 8.017 2.744 ( -0.046 8.733 0.812) 8.771 2.963 ( 8.384 2.079 1.979) 8.861 3.297 ( 0.951 12.036 -1.368) 12.151 3.588 ( -0.976 -1.306 -0.583) 1.731 3.650 ( 2.439 1.286 1.739) 3.259 3.819 ( -3.683 5.475 0.057) 6.599 4.433 ( 10.513 4.304 -0.547) 11.373 4.886 ( -0.419 -1.036 0.881) 1.423 5.063 ( 14.642 7.971 1.185) 16.714 5.508 ( 12.910 3.511 1.095) 13.423 7.761 ( 6.137 4.058 -1.027) 7.429 8.407 ( -0.744 -2.411 1.883) 3.148 9.033 ( 1.069 5.286 -1.080) 5.500 9.335 ( 1.245 3.563 1.631) 4.111 9.416 ( -7.381 -0.532 0.411) 7.412 9.602 ( 3.790 6.565 0.863) 7.629 9.937 ( 6.401 2.586 -4.190) 8.076 10.341 ( -2.825 -6.109 2.715) 7.258 10.767 ( -2.775 -10.831 -0.083) 11.181 12.236 ( -2.050 9.849 -0.344) 10.066 13.848 ( 0.857 0.764 2.199) 2.481 14.539 ( 5.944 -2.931 -2.074) 6.944 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( -5.230 12.505 -0.886) 13.584 2.728 ( 2.041 4.130 -4.536) 6.465 2.807 ( -2.897 7.952 3.313) 9.089 3.100 ( 6.091 -0.869 2.280) 6.562 3.415 ( -0.636 11.245 -1.066) 11.313 3.564 ( -1.521 0.048 1.053) 1.851 3.660 ( -0.973 -1.280 1.116) 1.957 3.817 ( -3.813 7.602 0.515) 8.520 4.614 ( 7.162 1.933 -0.016) 7.418 4.849 ( -1.907 -1.593 0.364) 2.511 5.342 ( 10.143 3.512 1.158) 10.796 5.695 ( 7.034 -1.132 2.170) 7.448 7.879 ( 3.288 2.517 0.469) 4.167 8.385 ( 0.919 -2.460 0.392) 2.655 9.085 ( -0.413 4.474 -0.921) 4.586 9.276 ( -7.673 3.342 1.684) 8.537 9.406 ( 1.083 1.953 -0.240) 2.246 9.714 ( 3.135 3.697 -1.762) 5.157 10.033 ( 2.261 0.517 -0.381) 2.350 10.309 ( 4.674 -3.581 0.634) 5.923 10.623 ( -3.159 -8.012 0.433) 8.624 12.288 ( -3.726 10.644 0.034) 11.278 13.875 ( 1.760 -1.123 2.360) 3.151 14.582 ( 4.096 -4.466 -2.451) 6.537 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 0.000 20.944 11.908) 24.092 1.672 ( 0.000 20.716 12.631) 24.263 2.085 ( -0.000 7.529 -10.147) 12.635 2.099 ( -0.000 18.368 -16.972) 25.008 2.802 ( 0.000 28.716 19.672) 34.808 2.964 ( 0.000 3.403 3.450) 4.846 3.224 ( 0.000 12.594 4.839) 13.491 3.310 ( -0.000 1.405 -1.731) 2.229 3.466 ( -0.000 14.735 -16.800) 22.347 3.804 ( -0.000 19.688 -6.360) 20.690 4.069 ( -0.000 -0.915 -6.991) 7.051 5.474 ( 0.000 -8.611 7.052) 11.130 7.546 ( 0.000 -14.904 16.448) 22.196 8.565 ( -0.000 -4.274 -8.140) 9.194 8.670 ( 0.000 3.462 0.394) 3.484 9.004 ( 0.000 4.072 -0.142) 4.075 9.279 ( 0.000 3.879 6.286) 7.387 9.528 ( -0.000 0.389 -6.553) 6.564 10.105 ( 0.000 -8.216 1.469) 8.346 11.267 ( -0.000 5.688 -10.073) 11.568 11.560 ( 0.000 -21.904 3.087) 22.120 11.985 ( -0.000 1.642 -1.184) 2.024 13.638 ( 0.000 15.074 2.737) 15.320 14.439 ( 0.000 -28.062 13.220) 31.020 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 9.673 19.954 8.948) 23.912 1.924 ( 3.791 17.811 9.815) 20.687 2.175 ( 4.775 10.359 -10.011) 15.177 2.298 ( 6.587 13.273 -16.249) 21.990 3.025 ( 1.949 7.307 3.964) 8.539 3.199 ( 8.551 21.571 11.924) 26.089 3.314 ( 0.406 7.686 1.579) 7.857 3.428 ( 5.884 9.116 1.504) 10.954 3.664 ( 7.477 16.633 -8.799) 20.248 3.922 ( -1.692 2.567 -2.686) 4.083 4.170 ( 6.592 20.121 -8.552) 22.835 5.368 ( -3.635 -8.543 4.852) 10.476 7.462 ( -0.517 -5.524 9.893) 11.342 8.511 ( -0.706 -1.843 -5.639) 5.975 8.739 ( 3.138 4.376 0.143) 5.386 9.060 ( 1.444 4.750 0.139) 4.966 9.323 ( -1.938 5.046 8.297) 9.903 9.519 ( 1.390 -0.669 -8.281) 8.423 10.041 ( 1.332 -7.641 1.646) 7.929 11.174 ( -11.410 -3.218 0.025) 11.855 11.275 ( -4.679 -22.748 -3.005) 23.418 12.048 ( 3.974 2.460 -1.451) 4.894 13.847 ( 9.141 8.005 2.760) 12.461 14.183 ( -9.198 -7.628 5.592) 13.193 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 8.881 16.503 7.009) 20.009 2.198 ( 6.550 18.209 4.771) 19.931 2.383 ( 9.631 9.218 -7.015) 15.065 2.500 ( 6.525 10.686 -10.971) 16.647 3.162 ( 1.969 10.906 4.179) 11.843 3.371 ( 4.585 2.366 -1.248) 5.309 3.576 ( 6.735 12.453 2.338) 14.350 3.628 ( 6.027 8.759 2.849) 11.008 3.887 ( 1.387 3.509 -1.177) 3.953 4.019 ( 11.827 18.872 -2.606) 22.424 4.539 ( 12.540 20.483 -4.836) 24.499 5.221 ( -5.090 -7.093 3.052) 9.248 7.470 ( 2.223 0.897 3.894) 4.573 8.480 ( -0.755 -0.629 -2.554) 2.737 8.853 ( 4.029 5.790 -0.535) 7.074 9.141 ( 2.330 4.678 0.740) 5.278 9.361 ( -1.403 6.046 8.584) 10.592 9.542 ( 4.138 -0.326 -8.614) 9.561 9.987 ( -1.846 -4.146 1.155) 4.683 10.837 ( -13.413 -14.830 6.676) 21.081 11.032 ( -4.203 -12.948 -7.056) 15.333 12.141 ( 3.092 4.920 -1.072) 5.909 14.008 ( -3.595 -2.445 2.552) 5.041 14.092 ( 6.213 7.305 0.782) 9.621 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 6.627 12.134 4.714) 14.607 2.487 ( 2.523 19.612 0.800) 19.790 2.640 ( 11.076 8.670 -2.145) 14.228 2.677 ( 4.730 9.444 -6.461) 12.382 3.299 ( -0.935 12.356 4.349) 13.132 3.487 ( 6.598 2.205 -2.186) 7.292 3.654 ( -1.402 0.377 -0.590) 1.567 3.807 ( 4.288 7.576 1.049) 8.768 4.051 ( 9.316 8.801 -1.665) 12.924 4.444 ( 16.078 15.741 1.359) 22.541 4.917 ( 9.347 13.914 -3.033) 17.034 5.103 ( 0.416 -4.467 2.885) 5.334 7.562 ( 4.662 4.281 0.574) 6.355 8.449 ( -1.360 -1.851 0.063) 2.298 8.976 ( 2.924 7.105 -0.824) 7.727 9.233 ( 3.185 4.153 0.593) 5.267 9.442 ( 1.178 6.465 5.426) 8.522 9.611 ( 4.472 2.117 -4.616) 6.767 9.895 ( -5.684 -0.515 -1.022) 5.798 10.531 ( -7.967 -12.010 4.174) 15.004 10.828 ( -2.934 -13.424 -2.917) 14.047 12.249 ( 2.096 8.431 -0.622) 8.709 13.932 ( -5.556 3.206 1.662) 6.627 14.264 ( 9.025 -1.217 -0.640) 9.129 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 3.215 10.130 3.376) 11.151 2.668 ( -1.187 16.395 -2.628) 16.647 2.821 ( 3.138 9.163 -4.323) 10.607 2.890 ( 6.195 10.028 2.782) 12.111 3.396 ( 0.057 8.110 2.219) 8.408 3.575 ( 1.243 -0.858 -2.246) 2.707 3.659 ( 0.900 5.830 1.687) 6.136 3.924 ( 0.122 8.550 -0.786) 8.587 4.294 ( 10.314 5.605 -0.904) 11.773 4.824 ( 11.394 6.408 1.730) 13.186 4.977 ( 0.421 3.588 -0.006) 3.612 5.306 ( 13.962 3.278 0.857) 14.368 7.704 ( 5.770 5.558 -0.295) 8.017 8.398 ( -1.437 -3.506 0.879) 3.890 9.082 ( 1.038 7.601 -0.687) 7.702 9.329 ( 3.247 3.706 -0.041) 4.928 9.505 ( -1.169 2.071 2.431) 3.400 9.687 ( -2.367 8.129 1.585) 8.614 9.850 ( 3.407 1.257 -4.575) 5.841 10.336 ( -4.542 -8.105 1.509) 9.412 10.664 ( -0.332 -13.353 0.051) 13.357 12.372 ( 0.279 12.125 -0.282) 12.132 13.884 ( -3.493 1.588 1.962) 4.309 14.371 ( 7.697 -5.273 -1.773) 9.497 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( -1.841 8.808 1.730) 9.163 2.773 ( -3.358 14.637 -3.599) 15.442 2.944 ( 0.676 9.733 -2.572) 10.090 3.042 ( 1.622 6.504 3.446) 7.537 3.464 ( 1.121 0.936 2.913) 3.259 3.588 ( 2.054 2.579 -2.234) 3.983 3.736 ( -2.885 9.787 2.062) 10.410 3.981 ( -3.852 10.333 -1.057) 11.079 4.496 ( 8.624 2.416 -0.079) 8.957 4.866 ( -1.761 -1.010 0.543) 2.101 5.191 ( 11.542 4.226 1.076) 12.338 5.526 ( 10.557 -2.341 1.339) 10.896 7.849 ( 4.534 5.010 0.605) 6.784 8.343 ( -0.215 -4.362 -0.210) 4.372 9.154 ( -0.891 7.035 -0.598) 7.116 9.406 ( 1.821 2.781 -0.249) 3.333 9.456 ( -6.790 3.655 2.503) 8.107 9.730 ( -0.429 5.886 -0.609) 5.933 9.968 ( 6.309 2.125 -2.032) 6.960 10.217 ( -0.807 -6.722 -0.133) 6.771 10.554 ( 0.748 -10.142 1.080) 10.227 12.486 ( -2.901 15.071 -0.087) 15.348 13.852 ( -0.846 -1.402 2.346) 2.861 14.420 ( 6.512 -7.986 -2.335) 10.565 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 0.000 18.643 5.877) 19.548 2.094 ( 0.000 17.776 6.607) 18.964 2.200 ( -0.000 7.211 -3.288) 7.925 2.344 ( -0.000 14.712 -16.085) 21.799 3.041 ( -0.000 3.557 -1.633) 3.914 3.361 ( 0.000 4.187 0.707) 4.247 3.382 ( 0.000 18.425 9.689) 20.818 3.509 ( 0.000 14.832 1.881) 14.951 3.781 ( -0.000 20.134 -1.333) 20.178 3.968 ( -0.000 6.109 -4.427) 7.545 4.328 ( -0.000 24.956 -5.154) 25.483 5.324 ( 0.000 -8.076 2.841) 8.561 7.444 ( 0.000 -2.176 8.439) 8.715 8.496 ( -0.000 -0.244 -4.066) 4.073 8.754 ( 0.000 4.615 0.725) 4.671 9.094 ( -0.000 5.105 -0.368) 5.118 9.407 ( 0.000 6.005 2.147) 6.377 9.502 ( -0.000 0.337 -1.968) 1.997 9.920 ( 0.000 -10.894 1.105) 10.950 11.096 ( -0.000 -20.078 -3.952) 20.463 11.248 ( 0.000 -6.853 0.919) 6.914 12.020 ( -0.000 2.368 -0.883) 2.527 13.813 ( 0.000 1.163 2.749) 2.985 14.247 ( 0.000 2.887 1.956) 3.487 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 9.598 15.266 1.930) 18.136 2.262 ( 2.663 12.528 0.016) 12.808 2.363 ( 6.750 12.063 2.127) 13.985 2.485 ( 3.409 12.254 -8.478) 15.286 3.138 ( 7.531 4.460 -3.021) 9.259 3.398 ( -1.064 6.341 2.646) 6.953 3.581 ( 5.088 6.912 2.423) 8.918 3.653 ( 1.632 9.632 1.656) 9.909 3.942 ( -0.191 10.583 -1.703) 10.721 4.122 ( 2.579 24.727 0.047) 24.861 4.602 ( 4.802 22.425 -2.184) 23.037 5.232 ( -3.093 -5.476 0.737) 6.332 7.468 ( 1.051 2.359 5.299) 5.894 8.485 ( -0.672 0.295 -2.624) 2.725 8.836 ( 3.643 5.143 0.536) 6.326 9.159 ( 1.436 5.156 -0.093) 5.353 9.458 ( 0.754 4.131 -4.110) 5.876 9.501 ( -1.946 3.741 3.740) 5.636 9.872 ( 5.459 -9.851 1.518) 11.364 10.844 ( -6.221 -18.711 -0.441) 19.723 11.074 ( -10.092 -6.419 -1.920) 12.113 12.100 ( 5.452 3.241 -0.649) 6.376 13.874 ( 6.141 -1.892 0.461) 6.443 14.258 ( -5.286 8.317 1.702) 10.001 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 5.554 12.649 2.093) 13.973 2.504 ( 14.050 9.405 -1.928) 17.017 2.614 ( 5.294 16.001 1.780) 16.948 2.653 ( 6.025 8.673 -4.010) 11.297 3.350 ( 10.881 5.503 -3.094) 12.580 3.446 ( -1.790 6.420 3.775) 7.659 3.658 ( 0.741 -0.348 -1.173) 1.431 3.797 ( 5.412 6.948 2.423) 9.134 4.058 ( 1.732 12.444 -2.626) 12.835 4.444 ( 6.178 22.217 1.457) 23.106 4.895 ( 8.149 13.612 0.210) 15.866 5.129 ( -5.137 -0.075 -0.825) 5.204 7.550 ( 2.847 5.563 2.493) 6.728 8.457 ( -1.671 -1.430 -1.198) 2.504 8.970 ( 5.197 5.985 0.044) 7.927 9.235 ( 1.734 4.681 0.287) 5.000 9.501 ( 0.538 3.375 -1.135) 3.601 9.564 ( 3.041 7.093 0.127) 7.718 9.880 ( 3.712 -6.742 1.350) 7.814 10.551 ( -8.214 -13.537 1.395) 15.895 10.824 ( -9.757 -8.082 -2.492) 12.912 12.247 ( 6.383 6.068 -0.312) 8.812 13.951 ( 4.768 -2.690 -1.015) 5.567 14.247 ( -4.810 6.513 1.798) 8.294 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( 5.430 10.493 1.220) 11.878 2.739 ( 4.576 6.295 -0.494) 7.798 2.856 ( 6.084 10.299 -1.311) 12.033 2.904 ( 9.383 16.879 -0.210) 19.312 3.453 ( -0.590 0.822 1.455) 1.772 3.539 ( 2.141 2.233 -0.867) 3.213 3.696 ( 3.922 7.096 0.012) 8.108 3.963 ( 4.755 7.719 0.177) 9.067 4.225 ( 5.312 9.324 -0.979) 10.776 4.745 ( 7.457 13.101 0.865) 15.099 5.031 ( -0.553 -1.643 0.522) 1.810 5.167 ( 5.442 10.433 -0.447) 11.775 7.679 ( 4.374 7.051 0.787) 8.334 8.395 ( -2.324 -3.618 -0.223) 4.306 9.116 ( 4.085 6.937 -0.152) 8.052 9.313 ( 2.397 4.004 0.008) 4.667 9.539 ( 0.551 2.409 0.118) 2.474 9.724 ( 5.461 9.087 -0.086) 10.602 9.853 ( -1.251 -3.107 -0.233) 3.358 10.341 ( -4.179 -7.790 1.291) 8.934 10.584 ( -6.642 -10.598 -1.134) 12.558 12.431 ( 5.819 10.043 -0.106) 11.608 13.961 ( -1.310 -0.959 -0.095) 1.626 14.236 ( 0.178 -1.023 0.257) 1.070 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 0.348 7.943 0.157) 7.952 2.873 ( 5.862 5.200 -0.228) 7.839 3.027 ( 0.791 12.868 -0.964) 12.929 3.168 ( 1.300 13.939 -0.347) 14.004 3.450 ( 0.365 -1.418 2.898) 3.246 3.557 ( 2.398 1.231 -1.265) 2.978 3.871 ( 2.313 12.667 0.467) 12.885 4.100 ( 1.703 8.795 -0.388) 8.966 4.401 ( 6.190 5.803 -0.485) 8.498 4.889 ( 0.070 1.283 0.652) 1.441 5.083 ( 5.537 5.585 0.161) 7.866 5.336 ( 8.076 -0.804 0.572) 8.136 7.831 ( 4.717 7.125 0.314) 8.551 8.314 ( -1.946 -5.011 -0.205) 5.379 9.232 ( 0.948 7.504 -0.169) 7.565 9.390 ( 2.678 2.532 -0.342) 3.702 9.557 ( -1.543 2.209 1.697) 3.185 9.803 ( -1.605 0.018 -0.991) 1.887 9.896 ( 4.858 6.414 0.381) 8.054 10.228 ( -5.460 -1.644 -2.269) 6.137 10.418 ( 1.606 -11.890 1.744) 12.124 12.633 ( 3.468 14.243 -0.082) 14.660 13.899 ( -4.545 -0.957 1.643) 4.927 14.228 ( 4.142 -8.042 -1.596) 9.186 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -0.000 9.617 -4.182) 10.487 2.377 ( 0.000 10.324 8.083) 13.112 2.390 ( -0.000 11.785 -6.786) 13.599 2.596 ( 0.000 14.840 1.069) 14.878 3.088 ( -0.000 2.976 -4.461) 5.362 3.475 ( 0.000 6.441 1.506) 6.614 3.591 ( 0.000 2.855 1.518) 3.234 3.726 ( 0.000 6.075 2.468) 6.557 4.065 ( -0.000 13.904 -3.675) 14.381 4.367 ( 0.000 27.050 1.987) 27.122 4.766 ( 0.000 17.267 0.678) 17.280 5.230 ( -0.000 0.611 -1.785) 1.886 7.506 ( 0.000 4.886 5.057) 7.031 8.491 ( -0.000 0.347 -2.754) 2.776 8.853 ( 0.000 4.900 0.966) 4.995 9.196 ( -0.000 5.271 -0.577) 5.303 9.458 ( -0.000 3.484 -8.803) 9.467 9.618 ( 0.000 7.298 9.710) 12.147 9.697 ( 0.000 -11.839 0.669) 11.858 10.724 ( -0.000 -15.344 -2.300) 15.516 11.100 ( -0.000 -8.160 -0.776) 8.197 12.068 ( -0.000 2.762 -0.558) 2.818 13.818 ( -0.000 0.630 -0.678) 0.926 14.387 ( 0.000 7.587 1.897) 7.821 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 11.637 6.782 -2.950) 13.788 2.487 ( 2.454 10.089 -2.244) 10.623 2.576 ( 7.460 8.864 2.729) 11.902 2.747 ( 0.360 13.741 1.948) 13.883 3.199 ( 9.560 3.995 -3.355) 10.891 3.538 ( -0.681 5.806 2.241) 6.261 3.626 ( 2.002 0.038 -1.088) 2.279 3.788 ( 2.248 3.360 2.690) 4.856 4.188 ( -1.061 14.136 -2.979) 14.486 4.631 ( 0.490 23.809 1.130) 23.841 4.905 ( 2.277 5.311 1.846) 6.066 5.253 ( -3.001 10.897 -2.757) 11.634 7.585 ( 1.186 7.024 3.642) 8.001 8.469 ( -1.535 -1.173 -2.492) 3.153 8.939 ( 4.060 4.839 0.783) 6.365 9.258 ( 1.274 4.942 -0.304) 5.113 9.494 ( 1.261 3.763 -6.155) 7.324 9.599 ( 1.849 -2.797 1.083) 3.524 9.746 ( 3.646 1.577 6.603) 7.706 10.540 ( -4.963 -11.861 -1.636) 12.962 10.926 ( -9.397 -7.653 -1.203) 12.178 12.167 ( 7.437 3.638 -0.287) 8.284 13.854 ( 3.124 0.253 -1.602) 3.520 14.417 ( -4.997 6.366 2.209) 8.389 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 6.287 7.163 -0.240) 9.533 2.662 ( 14.787 7.017 -1.262) 16.416 2.795 ( 6.921 7.273 3.410) 10.603 2.906 ( 5.652 11.411 -2.046) 12.897 3.409 ( 7.543 3.572 -1.935) 8.568 3.562 ( -1.213 1.205 1.797) 2.481 3.668 ( 4.002 3.762 -1.136) 5.609 3.916 ( 7.523 4.293 1.463) 8.784 4.295 ( -0.682 11.745 -1.054) 11.812 4.829 ( 0.046 12.940 0.255) 12.942 4.976 ( 2.945 2.876 0.231) 4.123 5.314 ( -4.433 13.513 -1.387) 14.289 7.697 ( 2.541 7.940 1.693) 8.507 8.405 ( -2.854 -3.062 -1.328) 4.391 9.078 ( 6.245 4.710 0.394) 7.832 9.329 ( 1.394 4.560 0.215) 4.774 9.523 ( 2.046 -0.259 -2.903) 3.561 9.698 ( 8.157 2.343 -1.796) 8.675 9.818 ( 0.330 3.541 5.077) 6.198 10.340 ( -5.554 -8.393 0.159) 10.065 10.670 ( -11.289 -6.613 -1.615) 13.182 12.371 ( 10.363 6.344 -0.026) 12.151 13.897 ( 2.992 -2.093 -2.050) 4.187 14.357 ( -8.244 3.848 2.223) 9.365 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( -0.000 4.452 -2.486) 5.099 2.543 ( -0.000 7.183 -3.907) 8.176 2.604 ( 0.000 8.186 4.674) 9.427 2.890 ( 0.000 13.240 1.654) 13.343 3.137 ( -0.000 3.816 -1.966) 4.293 3.599 ( 0.000 -0.877 0.338) 0.940 3.606 ( 0.000 5.990 0.253) 5.995 3.785 ( 0.000 -0.867 1.047) 1.359 4.331 ( -0.000 13.374 -2.194) 13.553 4.846 ( 0.000 15.790 1.217) 15.837 4.930 ( 0.000 6.155 0.148) 6.156 5.408 ( -0.000 15.038 -2.214) 15.200 7.658 ( 0.000 7.968 3.577) 8.734 8.465 ( -0.000 -1.486 -3.355) 3.669 8.949 ( 0.000 4.252 1.055) 4.381 9.291 ( -0.000 4.458 -0.932) 4.554 9.474 ( 0.000 -10.699 0.501) 10.710 9.527 ( -0.000 6.325 -4.647) 7.849 9.815 ( 0.000 8.636 7.082) 11.169 10.475 ( -0.000 -8.956 -2.713) 9.358 10.930 ( -0.000 -8.638 -0.718) 8.668 12.121 ( -0.000 2.710 -0.292) 2.726 13.842 ( -0.000 2.212 -1.872) 2.898 14.523 ( 0.000 5.097 2.359) 5.616 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 13.307 3.718 -0.501) 13.826 2.626 ( 2.887 5.676 -0.301) 6.376 2.741 ( 6.977 5.890 1.479) 9.250 2.975 ( -2.022 8.984 -1.539) 9.337 3.292 ( 10.546 6.187 0.311) 12.231 3.583 ( -0.837 -0.899 0.670) 1.399 3.661 ( 0.324 2.900 -1.534) 3.297 3.817 ( 6.067 -0.412 0.747) 6.127 4.434 ( -1.685 11.279 -0.996) 11.447 4.886 ( -0.368 -0.897 0.937) 1.348 5.072 ( -0.576 16.922 -1.472) 16.996 5.517 ( -3.491 13.000 -1.463) 13.539 7.751 ( 0.926 7.836 2.095) 8.164 8.421 ( -2.266 -2.160 -2.408) 3.949 9.027 ( 4.163 3.625 0.867) 5.588 9.344 ( 1.691 3.628 -0.852) 4.093 9.420 ( 4.393 -7.727 -0.565) 8.906 9.610 ( 3.410 5.525 -1.663) 6.702 9.906 ( -0.721 7.994 4.982) 9.447 10.357 ( -4.371 -5.905 -1.989) 7.611 10.770 ( -7.851 -7.637 -0.858) 10.986 12.235 ( 9.534 3.245 -0.114) 10.072 13.862 ( 0.248 1.173 -2.170) 2.479 14.524 ( -5.481 3.575 2.434) 6.982 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 0.000 2.529 0.333) 2.551 2.656 ( 0.000 4.789 2.522) 5.413 2.719 ( -0.000 3.151 -2.363) 3.939 3.107 ( -0.000 8.935 -3.418) 9.566 3.224 ( 0.000 4.400 3.335) 5.521 3.583 ( 0.000 -0.929 0.125) 0.937 3.702 ( -0.000 3.815 -1.275) 4.022 3.723 ( -0.000 -4.493 -0.852) 4.573 4.550 ( -0.000 9.331 -0.521) 9.346 4.875 ( 0.000 -2.082 0.524) 2.147 5.236 ( -0.000 14.827 -1.720) 14.927 5.660 ( -0.000 9.989 -1.656) 10.126 7.820 ( 0.000 6.548 1.493) 6.716 8.420 ( -0.000 -1.226 -2.463) 2.752 9.024 ( 0.000 2.773 1.066) 2.971 9.279 ( -0.000 -6.933 -1.523) 7.098 9.373 ( 0.000 2.272 0.758) 2.395 9.644 ( 0.000 6.096 -0.209) 6.099 9.995 ( 0.000 6.147 3.114) 6.891 10.353 ( -0.000 -1.721 -2.204) 2.796 10.758 ( -0.000 -8.533 -0.458) 8.546 12.169 ( -0.000 2.148 -0.136) 2.152 13.878 ( -0.000 2.093 -2.239) 3.065 14.608 ( 0.000 2.537 2.487) 3.553 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 0.000 -0.000 20.194) 20.194 0.850 ( 0.000 -0.000 20.194) 20.194 1.837 ( 0.000 -0.000 41.719) 41.719 1.927 ( -0.000 0.000 -13.187) 13.187 1.927 ( -0.000 0.000 -13.187) 13.187 2.880 ( 0.000 -0.000 6.006) 6.006 2.880 ( 0.000 -0.000 6.006) 6.006 3.273 ( -0.000 0.000 -42.308) 42.308 3.301 ( -0.000 0.000 -2.840) 2.840 3.301 ( -0.000 0.000 -2.840) 2.840 4.214 ( -0.000 0.000 -0.964) 0.964 5.660 ( 0.000 -0.000 9.793) 9.793 8.606 ( -0.000 0.000 -0.048) 0.048 8.606 ( -0.000 0.000 -0.048) 0.048 8.913 ( 0.000 -0.000 0.132) 0.132 8.913 ( 0.000 -0.000 0.132) 0.132 9.210 ( 0.000 -0.000 1.849) 1.849 9.500 ( -0.000 0.000 -2.318) 2.318 10.264 ( 0.000 -0.000 1.588) 1.588 10.264 ( 0.000 -0.000 1.588) 1.588 11.961 ( -0.000 0.000 -1.332) 1.332 11.961 ( -0.000 0.000 -1.332) 1.332 13.140 ( 0.000 -0.000 0.769) 0.769 16.100 ( -0.000 0.000 -1.001) 1.001 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 13.618 7.862 15.460) 22.052 1.206 ( 21.674 12.513 13.627) 28.496 1.795 ( 2.377 1.372 1.746) 3.253 1.981 ( 6.383 3.685 -13.237) 15.150 2.284 ( 20.344 11.745 19.697) 30.656 2.885 ( -0.115 -0.066 6.364) 6.365 3.027 ( 9.706 5.604 2.718) 11.533 3.260 ( 7.923 4.575 -30.094) 31.454 3.307 ( 0.876 0.506 -2.788) 2.966 3.435 ( 11.844 6.838 -8.421) 16.061 4.152 ( -4.577 -2.643 -2.092) 5.684 5.621 ( -5.123 -2.958 8.972) 10.747 8.080 ( -32.432 -18.725 22.089) 43.478 8.633 ( 2.053 1.185 -0.461) 2.415 8.678 ( -4.833 -2.790 -10.480) 11.873 8.930 ( 1.632 0.942 0.426) 1.932 9.233 ( -1.464 -0.845 1.950) 2.580 9.513 ( 3.331 1.923 -4.141) 5.651 10.216 ( -4.094 -2.363 1.898) 5.094 10.874 ( 24.458 14.121 -7.110) 29.123 11.907 ( -4.188 -2.418 -3.356) 5.886 11.972 ( 0.944 0.545 -1.573) 1.914 13.310 ( 14.068 8.122 0.715) 16.260 15.318 ( -51.838 -29.929 18.529) 62.659 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 16.594 9.580 10.855) 22.022 1.678 ( 15.548 8.977 13.509) 22.468 2.002 ( 15.683 9.054 -12.584) 22.052 2.138 ( 9.371 5.410 -13.244) 17.102 2.841 ( 24.099 13.914 18.324) 33.319 2.905 ( 0.662 0.382 7.017) 7.058 3.261 ( 10.827 6.251 -2.842) 12.821 3.333 ( 2.084 1.203 -2.602) 3.545 3.506 ( 16.575 9.570 -15.397) 24.563 3.774 ( 17.017 9.825 -5.004) 20.276 4.048 ( -1.345 -0.776 -5.718) 5.926 5.481 ( -8.255 -4.766 6.848) 11.736 7.623 ( -12.217 -7.054 13.077) 19.236 8.561 ( -3.404 -1.965 -9.190) 9.995 8.694 ( 3.364 1.942 -0.997) 4.010 8.988 ( 3.270 1.888 0.829) 3.865 9.219 ( -0.326 -0.188 8.116) 8.125 9.584 ( 3.766 2.174 -7.948) 9.060 10.091 ( -7.152 -4.129 2.225) 8.553 11.085 ( -2.053 -1.185 3.264) 4.034 11.707 ( -12.487 -7.209 -8.467) 16.721 11.996 ( 1.429 0.825 -1.794) 2.438 13.677 ( 14.748 8.515 -0.485) 17.036 14.403 ( -27.074 -15.631 16.182) 35.202 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 13.996 8.081 7.956) 18.014 2.013 ( 12.760 7.367 9.248) 17.396 2.326 ( 9.253 5.342 -12.337) 16.320 2.348 ( 15.541 8.973 -10.900) 20.997 2.949 ( 2.035 1.175 6.795) 7.190 3.394 ( 3.754 2.168 -2.023) 4.784 3.399 ( 19.974 11.532 7.840) 24.360 3.503 ( 10.280 5.935 0.093) 11.871 3.873 ( 8.685 5.014 -5.147) 11.273 3.923 ( 11.640 6.721 -2.714) 13.712 4.344 ( 22.611 13.054 -6.936) 27.014 5.300 ( -8.108 -4.681 4.864) 10.550 7.505 ( -1.018 -0.588 3.134) 3.347 8.494 ( -1.315 -0.759 -4.287) 4.548 8.777 ( 4.100 2.367 -1.406) 4.939 9.078 ( 4.335 2.503 1.156) 5.138 9.255 ( 1.788 1.033 9.867) 10.081 9.653 ( 4.146 2.394 -9.458) 10.600 9.908 ( -9.204 -5.314 2.121) 10.838 10.922 ( -11.780 -6.801 9.339) 16.500 11.379 ( -12.689 -7.326 -8.490) 16.934 12.029 ( 1.845 1.065 -1.659) 2.700 13.818 ( -1.648 -0.951 2.264) 2.958 14.227 ( 5.883 3.396 3.753) 7.760 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 9.122 5.267 5.149) 11.724 2.304 ( 11.137 6.430 5.324) 13.918 2.494 ( 7.499 4.330 -8.554) 12.172 2.645 ( 12.385 7.150 -5.397) 15.285 3.028 ( 3.746 2.163 4.225) 6.047 3.492 ( 4.971 2.870 -0.934) 5.815 3.612 ( 1.823 1.053 -2.305) 3.122 3.735 ( 5.901 3.407 2.089) 7.126 4.033 ( 12.307 7.105 0.762) 14.231 4.385 ( 22.061 12.737 -0.635) 25.482 4.802 ( 15.514 8.957 -4.462) 18.461 5.187 ( -0.203 -0.117 4.183) 4.189 7.552 ( 4.453 2.571 -1.737) 5.428 8.468 ( -0.940 -0.543 0.515) 1.202 8.870 ( 4.187 2.418 -1.499) 5.062 9.183 ( 4.557 2.631 1.293) 5.418 9.350 ( 4.870 2.812 7.624) 9.474 9.692 ( -9.954 -5.747 1.419) 11.581 9.740 ( 5.372 3.102 -8.784) 10.754 10.660 ( -11.598 -6.696 6.720) 14.984 11.122 ( -9.113 -5.261 -3.620) 11.128 12.072 ( 2.176 1.256 -1.111) 2.747 13.796 ( 0.202 0.117 2.324) 2.336 14.405 ( 7.373 4.257 -0.705) 8.542 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 4.744 2.739 1.892) 5.795 2.527 ( 7.607 4.392 1.245) 8.872 2.627 ( 5.240 3.025 -2.396) 6.508 2.896 ( 10.289 5.940 -0.278) 11.884 3.130 ( 4.570 2.639 0.043) 5.277 3.605 ( -0.960 -0.554 -1.286) 1.698 3.605 ( 4.817 2.781 0.310) 5.571 3.785 ( -1.005 -0.580 0.897) 1.467 4.323 ( 11.763 6.791 0.160) 13.584 4.847 ( 15.008 8.665 0.989) 17.357 4.933 ( 3.119 1.801 -0.450) 3.630 5.395 ( 13.488 7.787 1.564) 15.653 7.679 ( 6.641 3.834 -2.657) 8.116 8.445 ( -1.453 -0.839 2.891) 3.343 8.956 ( 3.622 2.091 -1.303) 4.380 9.282 ( 3.681 2.125 1.491) 4.504 9.475 ( -8.917 -5.148 0.158) 10.298 9.499 ( 6.686 3.860 3.717) 8.568 9.860 ( 6.610 3.817 -6.470) 10.006 10.453 ( -7.403 -4.274 3.909) 9.399 10.929 ( -7.791 -4.498 -0.469) 9.009 12.121 ( 2.245 1.296 -0.395) 2.623 13.829 ( 1.864 1.076 2.165) 3.053 14.538 ( 4.555 2.630 -2.030) 5.638 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 0.000 15.603 14.525) 21.318 1.237 ( 0.000 24.722 12.117) 27.531 1.827 ( -0.000 4.002 -4.134) 5.754 1.925 ( -0.000 5.564 -10.691) 12.053 2.332 ( 0.000 23.226 23.254) 32.866 2.924 ( 0.000 1.608 4.076) 4.382 3.008 ( 0.000 9.630 3.701) 10.316 3.177 ( -0.000 8.931 -31.970) 33.194 3.290 ( -0.000 0.349 -2.166) 2.194 3.431 ( -0.000 13.739 -5.511) 14.803 4.149 ( -0.000 -5.394 -1.667) 5.646 5.640 ( 0.000 -5.857 8.115) 10.008 8.121 ( 0.000 -38.949 21.272) 44.380 8.620 ( 0.000 1.721 0.323) 1.751 8.647 ( -0.000 -6.112 -10.238) 11.924 8.940 ( -0.000 2.342 -0.136) 2.346 9.240 ( 0.000 1.039 1.365) 1.715 9.497 ( -0.000 1.488 -3.022) 3.369 10.231 ( 0.000 -4.216 1.055) 4.346 10.889 ( -0.000 32.749 -8.458) 33.824 11.878 ( -0.000 -9.328 -0.571) 9.345 11.960 ( -0.000 0.676 -0.874) 1.105 13.308 ( 0.000 15.435 0.975) 15.466 15.370 ( 0.000 -56.230 13.750) 57.887 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 10.064 18.302 10.408) 23.336 1.600 ( 10.327 18.497 12.054) 24.374 1.900 ( 4.647 11.469 -12.090) 17.300 2.049 ( 6.965 8.706 -11.075) 15.715 2.738 ( 12.501 22.166 21.586) 33.370 2.953 ( -0.030 4.366 4.771) 6.467 3.164 ( 6.042 8.699 -4.555) 11.529 3.305 ( 4.687 4.835 -9.350) 11.523 3.347 ( 8.583 10.869 -9.410) 16.744 3.657 ( 9.314 17.443 -4.752) 20.337 4.060 ( -2.829 -4.442 -3.362) 6.247 5.547 ( -4.632 -7.636 6.226) 10.887 7.731 ( -9.857 -19.435 15.209) 26.574 8.555 ( -1.766 -3.991 -8.394) 9.461 8.667 ( 2.483 2.777 -0.139) 3.728 8.978 ( 1.377 3.430 0.214) 3.702 9.261 ( -0.757 2.631 5.221) 5.895 9.514 ( 2.226 -0.022 -5.643) 6.066 10.162 ( -3.123 -4.353 1.346) 5.524 11.121 ( -0.042 8.464 -3.519) 9.166 11.696 ( -5.819 -17.215 -2.214) 18.307 11.998 ( 2.044 2.316 -1.560) 3.460 13.578 ( 10.502 16.433 0.707) 19.515 14.649 ( -22.739 -35.746 12.811) 44.261 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 10.135 18.488 7.398) 22.344 1.935 ( 9.411 11.521 10.072) 17.965 2.161 ( 13.355 11.454 -11.374) 20.951 2.249 ( 7.400 11.117 -11.028) 17.319 2.996 ( 0.172 6.394 5.900) 8.702 3.255 ( 15.305 18.726 12.298) 27.132 3.320 ( 5.990 2.265 -2.682) 6.943 3.444 ( 6.511 9.796 -1.850) 11.907 3.681 ( 16.418 13.972 -9.665) 23.626 3.890 ( 0.318 -0.440 -0.335) 0.638 4.143 ( 15.265 16.348 -5.901) 23.132 5.379 ( -6.802 -7.634 4.141) 11.032 7.525 ( -3.169 -5.506 5.522) 8.418 8.490 ( -0.837 -1.436 -4.658) 4.946 8.750 ( 3.120 4.257 -0.869) 5.349 9.053 ( 2.807 4.141 0.707) 5.053 9.290 ( -0.870 3.285 9.068) 9.684 9.548 ( 4.608 -1.576 -8.493) 9.790 10.044 ( -7.394 -2.009 1.274) 7.767 11.051 ( -9.055 -5.584 7.260) 12.880 11.369 ( -6.731 -20.321 -7.926) 22.827 12.049 ( 0.579 4.257 -1.509) 4.554 13.875 ( 3.286 10.884 -0.150) 11.370 14.177 ( -4.339 -10.953 6.457) 13.434 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 5.845 16.714 5.396) 18.510 2.220 ( 9.506 9.946 6.043) 15.027 2.432 ( 6.959 10.072 -8.381) 14.837 2.490 ( 12.203 9.005 -6.625) 16.550 3.080 ( -0.668 9.231 5.360) 10.695 3.431 ( 5.633 2.790 -2.291) 6.690 3.594 ( 3.830 6.004 -0.298) 7.128 3.664 ( 8.396 8.127 1.230) 11.749 3.920 ( 7.039 3.722 0.979) 8.023 4.140 ( 21.095 14.653 -2.330) 25.791 4.612 ( 18.295 15.689 -3.717) 24.386 5.214 ( -4.635 -5.654 3.386) 8.057 7.509 ( 2.421 1.082 -0.451) 2.690 8.471 ( -0.174 -0.564 -0.692) 0.909 8.848 ( 2.915 5.380 -1.241) 6.243 9.152 ( 3.530 4.164 0.928) 5.538 9.348 ( 1.407 4.044 8.853) 9.834 9.604 ( 5.631 -1.750 -7.806) 9.783 9.882 ( -10.404 0.793 -0.247) 10.438 10.784 ( -11.736 -11.376 7.382) 17.934 11.104 ( -2.782 -14.870 -5.316) 16.035 12.102 ( 0.019 6.213 -0.950) 6.286 13.862 ( -5.504 3.652 2.037) 6.912 14.271 ( 10.691 0.438 -0.149) 10.701 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 0.464 14.577 2.830) 14.856 2.465 ( 7.297 7.881 3.364) 11.255 2.606 ( 4.051 9.920 -5.330) 11.968 2.759 ( 11.217 6.081 -1.816) 12.888 3.179 ( -0.484 10.902 2.766) 11.258 3.551 ( 4.989 2.797 -1.678) 5.961 3.622 ( -1.209 0.790 0.130) 1.450 3.799 ( 1.590 3.731 -0.534) 4.091 4.175 ( 12.851 6.551 0.816) 14.447 4.634 ( 20.107 12.032 0.406) 23.436 4.919 ( 2.882 4.069 -2.182) 5.443 5.234 ( 11.368 3.332 2.837) 12.181 7.605 ( 5.671 4.067 -2.468) 7.402 8.454 ( -0.744 -1.780 1.986) 2.769 8.945 ( 2.200 5.768 -1.132) 6.277 9.254 ( 3.558 3.817 0.753) 5.273 9.455 ( 3.677 4.202 5.580) 7.894 9.604 ( -5.785 -0.766 -0.170) 5.838 9.790 ( 1.503 3.628 -6.557) 7.643 10.523 ( -7.719 -9.439 3.612) 12.717 10.924 ( -2.262 -12.449 -0.675) 12.671 12.167 ( -0.662 8.238 -0.358) 8.272 13.842 ( -1.435 2.727 2.051) 3.701 14.430 ( 8.200 -1.032 -1.845) 8.468 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 0.000 19.854 7.785) 21.325 1.751 ( 0.000 20.406 11.676) 23.511 1.983 ( -0.000 15.706 -17.865) 23.788 2.032 ( -0.000 8.414 -5.490) 10.047 2.936 ( 0.000 26.551 20.411) 33.490 2.977 ( 0.000 2.584 0.494) 2.631 3.224 ( -0.000 14.013 -7.354) 15.825 3.303 ( -0.000 1.835 -0.367) 1.871 3.375 ( -0.000 18.196 -7.402) 19.644 3.772 ( -0.000 21.253 -3.647) 21.564 4.033 ( -0.000 -2.998 -3.761) 4.809 5.513 ( 0.000 -9.397 4.406) 10.379 7.645 ( 0.000 -17.478 12.643) 21.571 8.517 ( -0.000 -3.146 -5.833) 6.627 8.674 ( 0.000 3.509 0.757) 3.590 9.002 ( -0.000 4.050 -0.447) 4.075 9.308 ( 0.000 4.444 2.100) 4.915 9.497 ( -0.000 0.067 -2.305) 2.306 10.111 ( 0.000 -8.144 0.492) 8.159 11.204 ( -0.000 5.320 -8.838) 10.315 11.583 ( 0.000 -20.048 4.084) 20.460 11.980 ( -0.000 1.589 -0.396) 1.638 13.653 ( 0.000 15.797 2.091) 15.935 14.502 ( 0.000 -31.403 6.049) 31.980 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 9.743 19.018 4.425) 21.822 1.982 ( 3.334 15.249 7.209) 17.194 2.115 ( 4.067 14.599 -7.745) 17.019 2.214 ( 7.675 12.036 -8.320) 16.523 3.038 ( 3.424 5.078 0.105) 6.125 3.265 ( 4.549 13.671 7.285) 16.145 3.331 ( 2.166 12.969 3.275) 13.550 3.426 ( 6.379 11.598 -2.059) 13.396 3.622 ( 7.384 19.745 -2.999) 21.293 3.905 ( -1.647 1.385 -2.324) 3.167 4.129 ( 6.739 21.175 -3.761) 22.537 5.393 ( -3.664 -9.319 2.320) 10.279 7.519 ( -1.813 -7.030 6.709) 9.885 8.480 ( -0.497 -0.925 -3.257) 3.422 8.741 ( 2.806 4.470 0.467) 5.298 9.060 ( 1.710 4.721 -0.195) 5.025 9.363 ( 0.291 4.836 2.318) 5.371 9.480 ( -0.766 -0.496 -2.344) 2.516 10.049 ( 1.496 -7.574 0.667) 7.749 11.150 ( -4.357 -3.803 -6.497) 8.698 11.281 ( -10.985 -21.710 4.194) 24.690 12.042 ( 3.773 2.592 -0.489) 4.604 13.862 ( 8.541 8.562 1.791) 12.226 14.207 ( -8.921 -9.971 1.849) 13.506 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 8.970 16.190 3.170) 18.778 2.223 ( 7.231 15.932 2.329) 17.651 2.348 ( 8.610 11.384 -3.219) 14.632 2.447 ( 7.019 11.567 -4.581) 14.285 3.181 ( 3.871 9.584 1.583) 10.457 3.364 ( 3.134 3.240 -0.644) 4.554 3.586 ( 5.545 9.967 0.774) 11.432 3.642 ( 5.815 9.353 1.189) 11.077 3.881 ( 1.353 2.860 -0.516) 3.205 4.006 ( 12.752 21.418 -1.085) 24.951 4.518 ( 12.498 21.226 -1.646) 24.687 5.235 ( -4.802 -7.700 1.163) 9.149 7.490 ( 0.960 0.617 1.650) 2.006 8.467 ( -0.222 -0.131 -1.052) 1.083 8.850 ( 3.669 5.939 -0.189) 6.984 9.144 ( 2.553 4.647 0.250) 5.308 9.415 ( -1.025 5.172 7.085) 8.832 9.489 ( 3.961 0.227 -7.013) 8.057 9.993 ( -2.195 -4.100 0.392) 4.667 10.875 ( -12.771 -17.662 4.073) 22.173 10.992 ( -3.942 -10.341 -4.293) 11.870 12.137 ( 3.034 5.102 -0.386) 5.949 14.020 ( -2.990 -3.685 0.893) 4.828 14.096 ( 5.316 7.826 0.268) 9.465 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 7.109 11.258 2.219) 13.498 2.494 ( 1.585 18.260 1.254) 18.371 2.627 ( 11.415 11.029 -2.008) 15.999 2.646 ( 5.139 9.671 -2.103) 11.152 3.326 ( -1.161 12.221 3.954) 12.897 3.469 ( 6.713 2.030 -3.185) 7.702 3.653 ( -1.026 0.497 0.339) 1.190 3.808 ( 3.741 7.599 -0.814) 8.509 4.048 ( 9.564 8.164 0.555) 12.587 4.449 ( 16.206 16.256 -0.023) 22.954 4.901 ( 8.868 14.186 -1.757) 16.822 5.120 ( 1.192 -4.667 2.070) 5.243 7.561 ( 3.929 4.671 -0.964) 6.179 8.451 ( -0.797 -1.876 0.622) 2.131 8.972 ( 2.768 7.299 -0.480) 7.821 9.235 ( 3.146 3.958 0.197) 5.060 9.477 ( 0.790 4.630 5.090) 6.925 9.582 ( 5.780 3.762 -4.200) 8.075 9.888 ( -6.825 -0.407 -1.133) 6.931 10.551 ( -8.052 -13.044 1.587) 15.411 10.817 ( -2.245 -12.808 -0.388) 13.009 12.247 ( 2.090 8.550 -0.171) 8.804 13.943 ( -5.206 2.871 1.462) 6.122 14.257 ( 8.518 -1.078 -1.335) 8.689 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -0.000 16.846 -0.797) 16.865 2.113 ( -0.000 14.341 -1.899) 14.467 2.202 ( 0.000 9.360 4.217) 10.266 2.272 ( -0.000 18.321 -4.255) 18.809 3.022 ( -0.000 2.670 -3.903) 4.729 3.368 ( 0.000 4.535 1.609) 4.812 3.434 ( 0.000 15.204 5.594) 16.201 3.507 ( -0.000 15.622 -2.101) 15.763 3.789 ( 0.000 22.576 4.033) 22.934 3.940 ( -0.000 5.575 -3.716) 6.700 4.307 ( -0.000 25.970 -1.188) 25.997 5.335 ( -0.000 -8.932 0.158) 8.934 7.492 ( 0.000 -3.202 5.646) 6.491 8.476 ( -0.000 0.138 -1.828) 1.833 8.760 ( 0.000 4.626 1.131) 4.763 9.091 ( -0.000 5.106 -0.744) 5.160 9.379 ( -0.000 2.989 -8.142) 8.674 9.531 ( 0.000 3.482 8.263) 8.967 9.923 ( -0.000 -10.792 -0.050) 10.792 11.049 ( -0.000 -15.772 -9.060) 18.189 11.275 ( 0.000 -11.031 6.342) 12.724 12.017 ( 0.000 2.283 0.025) 2.283 13.826 ( 0.000 0.223 1.114) 1.136 14.253 ( 0.000 2.977 0.002) 2.977 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 10.771 13.436 -3.430) 17.559 2.253 ( 2.778 12.703 -3.404) 13.442 2.385 ( 6.632 11.356 5.254) 14.162 2.462 ( 2.250 15.293 1.193) 15.504 3.113 ( 8.008 3.921 -4.484) 9.981 3.415 ( -0.722 6.440 2.578) 6.975 3.591 ( 3.862 5.730 0.767) 6.952 3.663 ( 2.389 10.602 1.065) 10.920 3.930 ( -0.470 8.858 -1.865) 9.065 4.127 ( 2.655 26.291 1.483) 26.466 4.597 ( 4.682 23.362 0.802) 23.840 5.230 ( -2.884 -6.362 -1.442) 7.133 7.497 ( 0.333 2.074 3.267) 3.884 8.472 ( -0.449 0.253 -1.167) 1.276 8.841 ( 3.406 5.168 0.958) 6.263 9.156 ( 1.668 5.165 -0.554) 5.455 9.406 ( 2.385 2.665 -8.904) 9.596 9.550 ( -3.811 4.944 8.351) 10.426 9.879 ( 5.646 -9.390 0.770) 10.984 10.826 ( -4.860 -17.496 -4.955) 18.822 11.077 ( -11.021 -7.795 2.561) 13.740 12.098 ( 5.446 3.214 0.163) 6.325 13.872 ( 5.977 -2.590 -0.896) 6.576 14.267 ( -5.167 8.747 1.045) 10.213 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -0.000 9.629 -5.211) 10.949 2.343 ( -0.000 11.708 -6.733) 13.506 2.435 ( 0.000 10.163 9.174) 13.692 2.614 ( 0.000 15.475 4.000) 15.983 3.058 ( -0.000 3.325 -4.691) 5.750 3.485 ( 0.000 6.161 1.306) 6.298 3.600 ( 0.000 2.123 1.464) 2.579 3.738 ( 0.000 6.622 0.870) 6.679 4.044 ( -0.000 13.693 -2.528) 13.924 4.378 ( 0.000 26.681 1.346) 26.714 4.778 ( 0.000 18.066 2.829) 18.286 5.213 ( -0.000 -0.174 -3.408) 3.412 7.535 ( 0.000 4.718 3.594) 5.931 8.476 ( -0.000 -0.122 -1.719) 1.723 8.860 ( 0.000 4.862 1.326) 5.039 9.191 ( -0.000 5.287 -0.997) 5.380 9.402 ( -0.000 4.446 -8.254) 9.375 9.680 ( 0.000 6.778 9.299) 11.507 9.698 ( -0.000 -11.698 -0.416) 11.706 10.700 ( -0.000 -14.494 -5.067) 15.354 11.104 ( 0.000 -9.148 1.825) 9.328 12.067 ( 0.000 2.655 0.305) 2.672 13.810 ( -0.000 0.293 -1.658) 1.683 14.398 ( 0.000 7.968 1.448) 8.099 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 0.000 -0.000 14.463) 14.463 0.965 ( 0.000 -0.000 14.463) 14.463 1.848 ( -0.000 0.000 -10.258) 10.258 1.848 ( -0.000 0.000 -10.258) 10.258 2.089 ( 0.000 -0.000 34.733) 34.733 2.913 ( 0.000 -0.000 4.111) 4.111 2.913 ( 0.000 -0.000 4.111) 4.111 2.999 ( -0.000 0.000 -39.621) 39.621 3.284 ( -0.000 0.000 -2.189) 2.189 3.284 ( -0.000 0.000 -2.189) 2.189 4.211 ( -0.000 0.000 -0.133) 0.133 5.718 ( 0.000 -0.000 7.348) 7.348 8.606 ( 0.000 0.000 -0.030) 0.030 8.606 ( -0.000 0.000 -0.030) 0.030 8.914 ( 0.000 -0.000 0.087) 0.087 8.914 ( 0.000 -0.000 0.087) 0.087 9.224 ( 0.000 -0.000 2.158) 2.158 9.483 ( -0.000 0.000 -2.694) 2.694 10.273 ( 0.000 -0.000 1.090) 1.090 10.273 ( 0.000 -0.000 1.090) 1.090 11.954 ( -0.000 0.000 -0.916) 0.916 11.954 ( -0.000 0.000 -0.916) 0.916 13.145 ( 0.000 -0.000 0.537) 0.537 16.094 ( -0.000 0.000 -0.692) 0.692 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 12.680 7.321 10.383) 17.949 1.284 ( 21.017 12.134 9.587) 26.093 1.777 ( 0.540 0.312 -4.828) 4.868 1.904 ( 6.091 3.517 -9.666) 11.954 2.440 ( 19.185 11.077 25.416) 33.715 2.920 ( 0.239 0.138 4.420) 4.429 2.995 ( 7.821 4.516 -20.744) 22.625 3.092 ( 12.569 7.257 -10.292) 17.792 3.290 ( 0.828 0.478 -2.163) 2.365 3.405 ( 11.055 6.383 -2.288) 12.969 4.143 ( -5.224 -3.016 -0.747) 6.078 5.670 ( -5.315 -3.069 5.794) 8.440 8.207 ( -32.536 -18.785 16.115) 40.880 8.610 ( -4.793 -2.767 -9.768) 11.227 8.630 ( 1.904 1.100 -0.572) 2.272 8.933 ( 1.743 1.006 0.461) 2.064 9.243 ( 0.467 0.270 1.027) 1.160 9.491 ( 1.958 1.130 -2.619) 3.459 10.227 ( -3.942 -2.276 1.405) 4.763 10.841 ( 25.016 14.443 -3.155) 29.057 11.889 ( -5.605 -3.236 -2.101) 6.804 11.963 ( 0.826 0.477 -1.169) 1.509 13.314 ( 13.919 8.036 0.378) 16.076 15.408 ( -48.042 -27.737 9.156) 56.225 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 16.129 9.312 7.104) 19.933 1.767 ( 15.568 8.988 13.974) 22.769 1.916 ( 14.524 8.386 -12.986) 21.211 2.061 ( 9.010 5.202 -9.501) 14.090 2.945 ( 1.023 0.590 5.125) 5.259 2.966 ( 21.662 12.506 18.773) 31.274 3.212 ( 13.527 7.810 -12.017) 19.708 3.317 ( 2.096 1.210 -2.196) 3.268 3.418 ( 17.347 10.016 -10.136) 22.450 3.755 ( 18.264 10.545 -1.227) 21.125 4.022 ( -2.983 -1.722 -2.119) 4.044 5.517 ( -8.583 -4.956 3.849) 10.632 7.691 ( -14.781 -8.534 6.571) 18.289 8.511 ( -2.539 -1.466 -5.521) 6.251 8.687 ( 3.235 1.867 -1.093) 3.892 8.993 ( 3.372 1.947 0.828) 3.981 9.268 ( 1.110 0.641 6.630) 6.753 9.536 ( 2.710 1.565 -6.622) 7.324 10.104 ( -7.073 -4.084 1.549) 8.313 11.112 ( 0.773 0.446 5.060) 5.138 11.656 ( -13.818 -7.978 -7.109) 17.468 11.986 ( 1.380 0.797 -1.253) 2.027 13.673 ( 14.495 8.368 -0.886) 16.760 14.485 ( -28.538 -16.476 8.746) 34.093 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 13.727 7.925 6.021) 16.956 2.073 ( 11.650 6.726 8.717) 16.030 2.251 ( 9.273 5.354 -10.011) 14.659 2.287 ( 16.691 9.637 -6.965) 20.493 2.991 ( 1.969 1.137 5.626) 6.068 3.381 ( 3.946 2.278 -2.035) 4.990 3.442 ( 14.993 8.656 3.946) 17.756 3.499 ( 12.736 7.353 -0.646) 14.721 3.829 ( 17.378 10.033 -7.261) 21.340 3.921 ( 5.642 3.258 1.715) 6.737 4.312 ( 22.848 13.191 -2.825) 26.534 5.326 ( -8.133 -4.695 2.765) 9.789 7.514 ( -2.479 -1.431 -0.843) 2.984 8.474 ( -0.243 -0.140 -1.483) 1.509 8.768 ( 4.041 2.333 -1.374) 4.865 9.085 ( 4.393 2.536 1.023) 5.175 9.320 ( 1.844 1.065 9.620) 9.853 9.590 ( 3.902 2.253 -9.454) 10.473 9.919 ( -9.264 -5.349 1.199) 10.765 10.986 ( -12.103 -6.988 9.877) 17.113 11.324 ( -11.502 -6.641 -8.142) 15.579 12.020 ( 1.904 1.099 -0.931) 2.387 13.827 ( -0.734 -0.424 0.564) 1.018 14.247 ( 3.753 2.167 2.028) 4.785 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 0.000 14.699 7.813) 16.647 1.303 ( 0.000 24.141 7.211) 25.195 1.783 ( -0.000 1.488 -6.828) 6.988 1.871 ( -0.000 5.991 -5.314) 8.009 2.497 ( 0.000 22.052 24.292) 32.808 2.939 ( -0.000 9.867 -25.914) 27.729 2.942 ( 0.000 1.224 1.321) 1.800 3.061 ( 0.000 12.332 0.368) 12.338 3.280 ( -0.000 0.552 -0.825) 0.992 3.407 ( -0.000 12.997 -2.334) 13.205 4.143 ( -0.000 -6.085 -0.543) 6.109 5.682 ( 0.000 -6.104 4.214) 7.417 8.238 ( 0.000 -39.097 13.321) 41.305 8.585 ( -0.000 -4.959 -7.748) 9.199 8.622 ( 0.000 1.845 0.495) 1.910 8.938 ( -0.000 2.261 -0.301) 2.281 9.246 ( 0.000 2.055 0.529) 2.121 9.482 ( -0.000 0.926 -1.358) 1.644 10.236 ( 0.000 -4.270 0.225) 4.276 10.847 ( -0.000 30.997 -4.217) 31.282 11.876 ( -0.000 -8.567 0.011) 8.567 11.956 ( -0.000 0.726 -0.184) 0.749 13.313 ( 0.000 15.679 0.578) 15.690 15.431 ( 0.000 -53.640 5.338) 53.905 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 9.937 17.673 4.213) 20.708 1.670 ( 11.794 20.314 8.130) 24.856 1.826 ( 3.695 7.939 -8.746) 12.376 1.995 ( 5.937 8.892 -4.487) 11.595 2.873 ( 10.516 19.115 17.056) 27.693 2.978 ( 1.974 4.960 3.006) 6.127 3.086 ( 8.167 13.537 -15.804) 22.354 3.252 ( 6.165 8.390 -3.171) 10.883 3.329 ( 4.716 7.171 -0.414) 8.592 3.638 ( 9.686 17.299 -1.377) 19.874 4.045 ( -3.157 -5.297 -1.026) 6.251 5.576 ( -4.706 -8.009 2.310) 9.572 7.804 ( -11.480 -20.726 6.131) 24.474 8.514 ( -1.608 -3.065 -3.566) 4.969 8.667 ( 2.040 2.997 -0.049) 3.626 8.979 ( 1.687 3.291 0.074) 3.699 9.287 ( 0.953 3.283 2.116) 4.021 9.487 ( 0.711 -0.395 -2.301) 2.441 10.168 ( -2.806 -4.482 0.474) 5.309 11.106 ( 3.097 8.188 -1.219) 8.838 11.686 ( -8.080 -16.330 -0.806) 18.238 11.992 ( 1.636 2.416 -0.525) 2.965 13.581 ( 9.989 16.729 0.256) 19.486 14.705 ( -22.165 -37.193 4.208) 43.500 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 10.514 18.020 2.639) 21.029 1.992 ( 8.522 9.422 5.698) 13.923 2.100 ( 14.555 12.989 -5.336) 20.224 2.199 ( 6.639 11.674 -3.514) 13.882 3.027 ( 0.956 5.961 3.325) 6.892 3.298 ( 6.448 5.184 -3.167) 8.859 3.326 ( 12.805 13.378 6.732) 19.704 3.424 ( 7.813 11.880 -2.930) 14.517 3.630 ( 15.601 15.515 -5.077) 22.581 3.893 ( 1.003 -0.849 1.186) 1.770 4.121 ( 15.337 16.614 -1.021) 22.634 5.397 ( -6.679 -7.909 1.068) 10.406 7.543 ( -4.736 -5.946 -0.437) 7.614 8.472 ( -0.404 -0.798 -0.793) 1.195 8.745 ( 2.783 4.437 -0.722) 5.287 9.057 ( 3.030 4.021 0.486) 5.058 9.344 ( 0.520 3.612 6.702) 7.631 9.497 ( 3.388 -1.849 -6.424) 7.495 10.050 ( -7.355 -2.266 0.357) 7.705 11.101 ( -5.972 -5.096 7.800) 11.067 11.319 ( -8.920 -20.592 -6.985) 23.503 12.042 ( 0.510 4.417 -0.552) 4.480 13.871 ( 3.468 11.330 -0.925) 11.885 14.206 ( -4.975 -12.427 2.318) 13.585 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 0.000 18.972 0.123) 18.972 1.826 ( 0.000 22.931 9.639) 24.875 1.873 ( -0.000 11.894 -13.547) 18.027 2.021 ( 0.000 9.479 2.315) 9.758 2.970 ( -0.000 1.793 -2.559) 3.125 3.044 ( 0.000 23.556 5.230) 24.129 3.152 ( -0.000 18.564 -4.728) 19.157 3.306 ( 0.000 2.223 1.141) 2.499 3.373 ( 0.000 18.305 4.102) 18.759 3.756 ( -0.000 21.520 -1.341) 21.562 4.018 ( -0.000 -3.868 -0.866) 3.964 5.529 ( -0.000 -9.860 0.342) 9.866 7.701 ( 0.000 -18.347 3.727) 18.722 8.495 ( -0.000 -2.529 -0.609) 2.602 8.680 ( 0.000 3.604 1.005) 3.742 8.998 ( -0.000 3.989 -0.690) 4.048 9.303 ( -0.000 3.227 -3.459) 4.730 9.501 ( 0.000 1.372 3.391) 3.658 10.111 ( -0.000 -8.127 -0.583) 8.147 11.152 ( -0.000 3.559 -6.990) 7.844 11.614 ( 0.000 -17.946 5.471) 18.762 11.980 ( 0.000 1.572 0.473) 1.642 13.665 ( 0.000 16.331 1.451) 16.396 14.518 ( -0.000 -32.948 -1.314) 32.974 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 0.000 -0.000 5.470) 5.470 1.033 ( 0.000 -0.000 5.470) 5.470 1.799 ( -0.000 0.000 -4.067) 4.067 1.799 ( -0.000 0.000 -4.067) 4.067 2.280 ( 0.000 -0.000 20.239) 20.239 2.780 ( -0.000 0.000 -22.839) 22.839 2.932 ( 0.000 -0.000 1.484) 1.484 2.932 ( 0.000 -0.000 1.484) 1.484 3.274 ( -0.000 0.000 -0.842) 0.842 3.274 ( -0.000 0.000 -0.842) 0.842 4.211 ( 0.000 -0.000 0.085) 0.085 5.752 ( 0.000 -0.000 2.733) 2.733 8.606 ( -0.000 0.000 -0.010) 0.010 8.606 ( -0.000 0.000 -0.010) 0.010 8.914 ( 0.000 -0.000 0.030) 0.030 8.914 ( 0.000 -0.000 0.030) 0.030 9.235 ( 0.000 -0.000 1.036) 1.036 9.468 ( -0.000 0.000 -1.268) 1.268 10.278 ( 0.000 -0.000 0.388) 0.388 10.278 ( 0.000 -0.000 0.388) 0.388 11.949 ( -0.000 0.000 -0.327) 0.327 11.949 ( -0.000 0.000 -0.327) 0.327 13.147 ( 0.000 -0.000 0.194) 0.194 16.091 ( -0.000 0.000 -0.248) 0.248 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.98e-04 5.98e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 12.426 7.174 1.817) 14.463 1.323 ( 20.983 12.115 1.563) 24.280 1.757 ( 0.189 0.109 0.219) 0.309 1.862 ( 5.652 3.263 -2.736) 7.077 2.576 ( 18.897 10.910 8.658) 23.475 2.852 ( 9.512 5.492 -9.549) 14.554 2.941 ( 0.645 0.372 1.738) 1.891 3.071 ( 10.926 6.308 -1.462) 12.701 3.280 ( 0.681 0.393 -0.844) 1.154 3.398 ( 11.013 6.358 0.186) 12.718 4.141 ( -5.461 -3.153 -0.033) 6.306 5.693 ( -5.378 -3.105 0.929) 6.279 8.276 ( -34.226 -19.761 2.993) 39.634 8.564 ( -3.294 -1.902 -2.557) 4.583 8.626 ( 1.744 1.007 -0.583) 2.096 8.936 ( 1.858 1.073 0.417) 2.186 9.247 ( 1.621 0.936 0.232) 1.886 9.480 ( 1.053 0.608 -0.663) 1.385 10.234 ( -3.801 -2.195 0.651) 4.437 10.832 ( 25.724 14.852 0.469) 29.707 11.879 ( -6.640 -3.834 -0.945) 7.725 11.957 ( 0.715 0.413 -0.544) 0.988 13.315 ( 13.761 7.945 -0.089) 15.890 15.443 ( -46.208 -26.678 1.756) 53.385 =================== 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 3/81000 10.0 627.782 627.782 1132.538 -0.000 0.000 0.000 3/81000 20.0 257.337 257.337 149.563 -0.000 0.000 0.000 3/81000 30.0 117.651 117.651 51.803 -0.000 0.000 0.000 3/81000 40.0 75.094 75.094 29.082 -0.000 0.000 0.000 3/81000 50.0 56.426 56.426 20.443 -0.000 0.000 0.000 3/81000 60.0 45.720 45.720 15.966 0.000 0.000 0.000 3/81000 70.0 38.495 38.495 13.170 0.000 0.000 0.000 3/81000 80.0 33.173 33.173 11.223 0.000 0.000 0.000 3/81000 90.0 29.065 29.065 9.777 0.000 0.000 0.000 3/81000 100.0 25.800 25.800 8.658 0.000 0.000 0.000 3/81000 110.0 23.155 23.155 7.768 0.000 0.000 0.000 3/81000 120.0 20.977 20.977 7.042 0.000 0.000 0.000 3/81000 130.0 19.160 19.160 6.441 0.000 0.000 0.000 3/81000 140.0 17.626 17.626 5.934 0.000 0.000 0.000 3/81000 150.0 16.316 16.316 5.503 0.000 0.000 0.000 3/81000 160.0 15.186 15.186 5.131 0.000 0.000 0.000 3/81000 170.0 14.203 14.203 4.807 0.000 0.000 0.000 3/81000 180.0 13.341 13.341 4.523 0.000 0.000 0.000 3/81000 190.0 12.580 12.580 4.271 0.000 0.000 0.000 3/81000 200.0 11.902 11.902 4.046 0.000 0.000 0.000 3/81000 210.0 11.295 11.295 3.845 0.000 0.000 0.000 3/81000 220.0 10.748 10.748 3.663 0.000 0.000 0.000 3/81000 230.0 10.253 10.253 3.498 0.000 0.000 0.000 3/81000 240.0 9.803 9.803 3.348 0.000 0.000 0.000 3/81000 250.0 9.392 9.392 3.210 0.000 0.000 0.000 3/81000 260.0 9.015 9.015 3.084 0.000 0.000 0.000 3/81000 270.0 8.668 8.668 2.967 0.000 0.000 0.000 3/81000 280.0 8.348 8.348 2.859 0.000 0.000 0.000 3/81000 290.0 8.051 8.051 2.759 0.000 0.000 0.000 3/81000 300.0 7.774 7.774 2.666 0.000 0.000 0.000 3/81000 310.0 7.517 7.517 2.579 0.000 0.000 0.000 3/81000 320.0 7.277 7.277 2.497 0.000 0.000 0.000 3/81000 330.0 7.052 7.052 2.421 0.000 0.000 0.000 3/81000 340.0 6.841 6.841 2.350 0.000 0.000 0.000 3/81000 350.0 6.642 6.642 2.282 0.000 0.000 0.000 3/81000 360.0 6.455 6.455 2.218 0.000 0.000 0.000 3/81000 370.0 6.278 6.278 2.158 0.000 0.000 0.000 3/81000 380.0 6.111 6.111 2.101 0.000 0.000 0.000 3/81000 390.0 5.953 5.953 2.048 0.000 0.000 0.000 3/81000 400.0 5.803 5.803 1.996 0.000 0.000 0.000 3/81000 410.0 5.661 5.661 1.948 0.000 0.000 0.000 3/81000 420.0 5.525 5.525 1.901 0.000 0.000 0.000 3/81000 430.0 5.396 5.396 1.857 0.000 0.000 0.000 3/81000 440.0 5.273 5.273 1.815 0.000 0.000 0.000 3/81000 450.0 5.155 5.155 1.775 0.000 0.000 0.000 3/81000 460.0 5.043 5.043 1.737 0.000 0.000 0.000 3/81000 470.0 4.936 4.936 1.700 0.000 0.000 0.000 3/81000 480.0 4.833 4.833 1.665 0.000 0.000 0.000 3/81000 490.0 4.734 4.734 1.631 0.000 0.000 0.000 3/81000 500.0 4.640 4.640 1.598 0.000 0.000 0.000 3/81000 510.0 4.549 4.549 1.567 0.000 0.000 0.000 3/81000 520.0 4.462 4.462 1.537 0.000 0.000 0.000 3/81000 530.0 4.378 4.378 1.509 0.000 0.000 0.000 3/81000 540.0 4.297 4.297 1.481 0.000 0.000 0.000 3/81000 550.0 4.219 4.219 1.454 0.000 0.000 0.000 3/81000 560.0 4.144 4.144 1.428 0.000 0.000 0.000 3/81000 570.0 4.072 4.072 1.403 0.000 0.000 0.000 3/81000 580.0 4.002 4.002 1.379 0.000 0.000 0.000 3/81000 590.0 3.935 3.935 1.356 0.000 0.000 0.000 3/81000 600.0 3.869 3.869 1.334 0.000 0.000 0.000 3/81000 610.0 3.806 3.806 1.312 0.000 0.000 0.000 3/81000 620.0 3.745 3.745 1.291 0.000 0.000 0.000 3/81000 630.0 3.686 3.686 1.271 0.000 0.000 0.000 3/81000 640.0 3.629 3.629 1.251 0.000 0.000 0.000 3/81000 650.0 3.574 3.574 1.232 0.000 0.000 0.000 3/81000 660.0 3.520 3.520 1.214 0.000 0.000 0.000 3/81000 670.0 3.468 3.468 1.196 0.000 0.000 0.000 3/81000 680.0 3.417 3.417 1.178 0.000 0.000 0.000 3/81000 690.0 3.368 3.368 1.161 0.000 0.000 0.000 3/81000 700.0 3.320 3.320 1.145 0.000 0.000 0.000 3/81000 710.0 3.274 3.274 1.129 0.000 0.000 0.000 3/81000 720.0 3.229 3.229 1.113 0.000 0.000 0.000 3/81000 730.0 3.185 3.185 1.098 0.000 0.000 0.000 3/81000 740.0 3.142 3.142 1.083 0.000 0.000 0.000 3/81000 750.0 3.101 3.101 1.069 0.000 0.000 0.000 3/81000 760.0 3.060 3.060 1.055 0.000 0.000 0.000 3/81000 770.0 3.021 3.021 1.042 0.000 0.000 0.000 3/81000 780.0 2.982 2.982 1.028 0.000 0.000 0.000 3/81000 790.0 2.945 2.945 1.015 0.000 0.000 0.000 3/81000 800.0 2.909 2.909 1.003 0.000 0.000 0.000 3/81000 810.0 2.873 2.873 0.991 0.000 0.000 0.000 3/81000 820.0 2.838 2.838 0.979 0.000 0.000 0.000 3/81000 830.0 2.804 2.804 0.967 0.000 0.000 0.000 3/81000 840.0 2.771 2.771 0.956 0.000 0.000 0.000 3/81000 850.0 2.739 2.739 0.944 0.000 0.000 0.000 3/81000 860.0 2.707 2.707 0.934 0.000 0.000 0.000 3/81000 870.0 2.677 2.677 0.923 0.000 0.000 0.000 3/81000 880.0 2.646 2.646 0.913 0.000 0.000 0.000 3/81000 890.0 2.617 2.617 0.902 0.000 0.000 0.000 3/81000 900.0 2.588 2.588 0.892 0.000 0.000 0.000 3/81000 910.0 2.560 2.560 0.883 0.000 0.000 0.000 3/81000 920.0 2.532 2.532 0.873 0.000 0.000 0.000 3/81000 930.0 2.505 2.505 0.864 0.000 0.000 0.000 3/81000 940.0 2.479 2.479 0.855 0.000 0.000 0.000 3/81000 950.0 2.453 2.453 0.846 0.000 0.000 0.000 3/81000 960.0 2.428 2.428 0.837 0.000 0.000 0.000 3/81000 970.0 2.403 2.403 0.829 0.000 0.000 0.000 3/81000 980.0 2.379 2.379 0.820 0.000 0.000 0.000 3/81000 990.0 2.355 2.355 0.812 0.000 0.000 0.000 3/81000 1000.0 2.332 2.332 0.804 0.000 0.000 0.000 3/81000 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:51:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|