----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:09:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.504133354223626 0.000000000000000 0.000000000000000 b -2.252066677111813 3.900693906790473 0.000000000000000 c 0.000000000000000 0.000000000000000 6.874390530000000 Atomic positions (fractional): *1 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 *2 Mg 0.66666666666667 0.33333333333333 0.11294864810858 24.305 3 Mg 0.33333333333333 0.66666666666667 0.88705135189142 24.305 *4 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 *5 H 0.84048975026507 0.68097950053013 0.86234549321413 1.008 6 H 0.31902049946987 0.15951024973493 0.86234549321413 1.008 7 H 0.84048975026507 0.15951024973493 0.86234549321413 1.008 8 H 0.15951024973493 0.31902049946987 0.13765450678587 1.008 9 H 0.68097950053013 0.84048975026507 0.13765450678587 1.008 10 H 0.15951024973493 0.84048975026507 0.13765450678587 1.008 *11 H 0.66666666666667 0.33333333333333 0.39286325599369 1.008 12 H 0.33333333333333 0.66666666666667 0.60713674400631 1.008 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.504133354223626 0.000000000000000 0.000000000000000 b -2.252066677111813 3.900693906790473 0.000000000000000 c 0.000000000000000 0.000000000000000 6.874390530000000 Atomic positions (fractional): *1 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 1 *2 Mg 0.66666666666667 0.33333333333333 0.11294864810858 24.305 > 2 3 Mg 0.33333333333333 0.66666666666667 0.88705135189142 24.305 > 3 *4 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 > 4 *5 H 0.84048975026507 0.68097950053013 0.86234549321413 1.008 > 5 6 H 0.31902049946987 0.15951024973493 0.86234549321413 1.008 > 6 7 H 0.84048975026507 0.15951024973493 0.86234549321413 1.008 > 7 8 H 0.15951024973493 0.31902049946987 0.13765450678587 1.008 > 8 9 H 0.68097950053013 0.84048975026507 0.13765450678587 1.008 > 9 10 H 0.15951024973493 0.84048975026507 0.13765450678587 1.008 > 10 *11 H 0.66666666666667 0.33333333333333 0.39286325599369 1.008 > 11 12 H 0.33333333333333 0.66666666666667 0.60713674400631 1.008 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.008266708447252 0.000000000000000 0.000000000000000 b -4.504133354223626 7.801387813580946 0.000000000000000 c 0.000000000000000 0.000000000000000 13.748781060000001 Atomic positions (fractional): *1 Ba 0.00000000000000 0.00000000000000 0.25000000000000 137.327 > 1 2 Ba 0.50000000000000 0.00000000000000 0.25000000000000 137.327 > 1 3 Ba 0.00000000000000 0.50000000000000 0.25000000000000 137.327 > 1 4 Ba 0.50000000000000 0.50000000000000 0.25000000000000 137.327 > 1 5 Ba 0.00000000000000 0.00000000000000 0.75000000000000 137.327 > 1 6 Ba 0.50000000000000 0.00000000000000 0.75000000000000 137.327 > 1 7 Ba 0.00000000000000 0.50000000000000 0.75000000000000 137.327 > 1 8 Ba 0.50000000000000 0.50000000000000 0.75000000000000 137.327 > 1 *9 Mg 0.33333333333333 0.16666666666667 0.05647432405429 24.305 > 2 10 Mg 0.83333333333333 0.16666666666667 0.05647432405429 24.305 > 2 11 Mg 0.33333333333333 0.66666666666667 0.05647432405429 24.305 > 2 12 Mg 0.83333333333333 0.66666666666667 0.05647432405429 24.305 > 2 13 Mg 0.33333333333333 0.16666666666667 0.55647432405429 24.305 > 2 14 Mg 0.83333333333333 0.16666666666667 0.55647432405429 24.305 > 2 15 Mg 0.33333333333333 0.66666666666667 0.55647432405429 24.305 > 2 16 Mg 0.83333333333333 0.66666666666667 0.55647432405429 24.305 > 2 17 Mg 0.16666666666667 0.33333333333333 0.44352567594571 24.305 > 3 18 Mg 0.66666666666667 0.33333333333333 0.44352567594571 24.305 > 3 19 Mg 0.16666666666667 0.83333333333333 0.44352567594571 24.305 > 3 20 Mg 0.66666666666667 0.83333333333333 0.44352567594571 24.305 > 3 21 Mg 0.16666666666667 0.33333333333333 0.94352567594571 24.305 > 3 22 Mg 0.66666666666667 0.33333333333333 0.94352567594571 24.305 > 3 23 Mg 0.16666666666667 0.83333333333333 0.94352567594571 24.305 > 3 24 Mg 0.66666666666667 0.83333333333333 0.94352567594571 24.305 > 3 *25 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 > 4 26 Fe 0.50000000000000 0.00000000000000 0.00000000000000 55.845 > 4 27 Fe 0.00000000000000 0.50000000000000 0.00000000000000 55.845 > 4 28 Fe 0.50000000000000 0.50000000000000 0.00000000000000 55.845 > 4 29 Fe 0.00000000000000 0.00000000000000 0.50000000000000 55.845 > 4 30 Fe 0.50000000000000 0.00000000000000 0.50000000000000 55.845 > 4 31 Fe 0.00000000000000 0.50000000000000 0.50000000000000 55.845 > 4 32 Fe 0.50000000000000 0.50000000000000 0.50000000000000 55.845 > 4 *33 H 0.42024487513253 0.34048975026507 0.43117274660706 1.008 > 5 34 H 0.92024487513253 0.34048975026507 0.43117274660706 1.008 > 5 35 H 0.42024487513253 0.84048975026507 0.43117274660706 1.008 > 5 36 H 0.92024487513253 0.84048975026507 0.43117274660706 1.008 > 5 37 H 0.42024487513253 0.34048975026507 0.93117274660706 1.008 > 5 38 H 0.92024487513253 0.34048975026507 0.93117274660706 1.008 > 5 39 H 0.42024487513253 0.84048975026507 0.93117274660706 1.008 > 5 40 H 0.92024487513253 0.84048975026507 0.93117274660706 1.008 > 5 41 H 0.15951024973493 0.07975512486747 0.43117274660706 1.008 > 6 42 H 0.65951024973493 0.07975512486747 0.43117274660706 1.008 > 6 43 H 0.15951024973493 0.57975512486747 0.43117274660706 1.008 > 6 44 H 0.65951024973493 0.57975512486747 0.43117274660706 1.008 > 6 45 H 0.15951024973493 0.07975512486747 0.93117274660706 1.008 > 6 46 H 0.65951024973493 0.07975512486747 0.93117274660706 1.008 > 6 47 H 0.15951024973493 0.57975512486747 0.93117274660706 1.008 > 6 48 H 0.65951024973493 0.57975512486747 0.93117274660706 1.008 > 6 49 H 0.42024487513253 0.07975512486747 0.43117274660706 1.008 > 7 50 H 0.92024487513253 0.07975512486747 0.43117274660706 1.008 > 7 51 H 0.42024487513253 0.57975512486747 0.43117274660706 1.008 > 7 52 H 0.92024487513253 0.57975512486747 0.43117274660706 1.008 > 7 53 H 0.42024487513253 0.07975512486747 0.93117274660706 1.008 > 7 54 H 0.92024487513253 0.07975512486747 0.93117274660706 1.008 > 7 55 H 0.42024487513253 0.57975512486747 0.93117274660706 1.008 > 7 56 H 0.92024487513253 0.57975512486747 0.93117274660706 1.008 > 7 57 H 0.07975512486747 0.15951024973493 0.06882725339294 1.008 > 8 58 H 0.57975512486747 0.15951024973493 0.06882725339294 1.008 > 8 59 H 0.07975512486747 0.65951024973493 0.06882725339294 1.008 > 8 60 H 0.57975512486747 0.65951024973493 0.06882725339294 1.008 > 8 61 H 0.07975512486747 0.15951024973493 0.56882725339294 1.008 > 8 62 H 0.57975512486747 0.15951024973493 0.56882725339294 1.008 > 8 63 H 0.07975512486747 0.65951024973493 0.56882725339294 1.008 > 8 64 H 0.57975512486747 0.65951024973493 0.56882725339294 1.008 > 8 65 H 0.34048975026507 0.42024487513253 0.06882725339294 1.008 > 9 66 H 0.84048975026507 0.42024487513253 0.06882725339294 1.008 > 9 67 H 0.34048975026507 0.92024487513253 0.06882725339294 1.008 > 9 68 H 0.84048975026507 0.92024487513253 0.06882725339294 1.008 > 9 69 H 0.34048975026507 0.42024487513253 0.56882725339294 1.008 > 9 70 H 0.84048975026507 0.42024487513253 0.56882725339294 1.008 > 9 71 H 0.34048975026507 0.92024487513253 0.56882725339294 1.008 > 9 72 H 0.84048975026507 0.92024487513253 0.56882725339294 1.008 > 9 73 H 0.07975512486747 0.42024487513253 0.06882725339294 1.008 > 10 74 H 0.57975512486747 0.42024487513253 0.06882725339294 1.008 > 10 75 H 0.07975512486747 0.92024487513253 0.06882725339294 1.008 > 10 76 H 0.57975512486747 0.92024487513253 0.06882725339294 1.008 > 10 77 H 0.07975512486747 0.42024487513253 0.56882725339294 1.008 > 10 78 H 0.57975512486747 0.42024487513253 0.56882725339294 1.008 > 10 79 H 0.07975512486747 0.92024487513253 0.56882725339294 1.008 > 10 80 H 0.57975512486747 0.92024487513253 0.56882725339294 1.008 > 10 *81 H 0.33333333333333 0.16666666666667 0.19643162799685 1.008 > 11 82 H 0.83333333333333 0.16666666666667 0.19643162799685 1.008 > 11 83 H 0.33333333333333 0.66666666666667 0.19643162799685 1.008 > 11 84 H 0.83333333333333 0.66666666666667 0.19643162799685 1.008 > 11 85 H 0.33333333333333 0.16666666666667 0.69643162799685 1.008 > 11 86 H 0.83333333333333 0.16666666666667 0.69643162799685 1.008 > 11 87 H 0.33333333333333 0.66666666666667 0.69643162799685 1.008 > 11 88 H 0.83333333333333 0.66666666666667 0.69643162799685 1.008 > 11 89 H 0.16666666666667 0.33333333333333 0.30356837200315 1.008 > 12 90 H 0.66666666666667 0.33333333333333 0.30356837200315 1.008 > 12 91 H 0.16666666666667 0.83333333333333 0.30356837200315 1.008 > 12 92 H 0.66666666666667 0.83333333333333 0.30356837200315 1.008 > 12 93 H 0.16666666666667 0.33333333333333 0.80356837200315 1.008 > 12 94 H 0.66666666666667 0.33333333333333 0.80356837200315 1.008 > 12 95 H 0.16666666666667 0.83333333333333 0.80356837200315 1.008 > 12 96 H 0.66666666666667 0.83333333333333 0.80356837200315 1.008 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9598733 0.0000000 0.0000000 0.0000000 4.9598733 0.0000000 0.0000000 0.0000000 4.9115660 -------------------------- Born effective charges -------------------------- 1 Ba 2.1143147 0.0000000 -0.0000000 0.0000000 2.1143147 0.0000000 0.0000000 -0.0000000 3.1782910 2 Mg 2.1049618 0.0000000 -0.0000000 0.0000000 2.1049618 0.0000000 0.0000000 -0.0000000 1.5309511 3 Mg 2.1049618 0.0000000 -0.0000000 0.0000000 2.1049618 0.0000000 0.0000000 -0.0000000 1.5309511 4 Fe -3.0858956 0.0000000 -0.0000000 0.0000000 -3.0858956 0.0000000 0.0000000 -0.0000000 -2.6089276 5 H 0.1058638 -0.0000000 -0.0000000 0.0000000 -0.5183536 -0.4376040 0.0000000 -0.3185597 -0.2379705 6 H -0.3622993 -0.2702941 0.3789762 -0.2702941 -0.0501905 0.2188020 0.2758808 0.1592799 -0.2379705 7 H -0.3622993 0.2702941 -0.3789762 0.2702941 -0.0501905 0.2188020 -0.2758808 0.1592799 -0.2379705 8 H 0.1058638 -0.0000000 -0.0000000 0.0000000 -0.5183536 -0.4376040 0.0000000 -0.3185597 -0.2379705 9 H -0.3622993 -0.2702941 0.3789762 -0.2702941 -0.0501905 0.2188020 0.2758808 0.1592799 -0.2379705 10 H -0.3622993 0.2702941 -0.3789762 0.2702941 -0.0501905 0.2188020 -0.2758808 0.1592799 -0.2379705 11 H -1.0004367 0.0000000 -0.0000000 0.0000000 -1.0004367 0.0000000 0.0000000 -0.0000000 -1.1017214 12 H -1.0004367 0.0000000 -0.0000000 0.0000000 -1.0004367 0.0000000 0.0000000 -0.0000000 -1.1017214 ---------------------------------------------------------------------------- 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: 5544/5544 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 531 Number of blocks in projector: 396 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: 239 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 182 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 110 Use standard eigh solver. Tree of FC basis block matrices: - (531, 518), data: False |-- (110, 105), data: True |-- (182, 180), data: True |-- (239, 233), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 160 - Time: 0.362 Solver_block: 160 / 160 - Time: 0.246 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.619 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 5544/5544 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 531 Number of blocks in projector: 396 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: 239 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 182 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 110 Use standard eigh solver. Tree of FC basis block matrices: - (531, 518), data: False |-- (110, 105), data: True |-- (182, 180), data: True |-- (239, 233), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:09:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:09:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.504133354223626 0.000000000000000 0.000000000000000 b -2.252066677111813 3.900693906790473 0.000000000000000 c 0.000000000000000 0.000000000000000 6.874390530000000 Atomic positions (fractional): 1 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 2 Mg 0.66666666666667 0.33333333333333 0.11294864810858 24.305 3 Mg 0.33333333333333 0.66666666666667 0.88705135189142 24.305 4 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 5 H 0.84048975026507 0.68097950053013 0.86234549321413 1.008 6 H 0.31902049946987 0.15951024973493 0.86234549321413 1.008 7 H 0.84048975026507 0.15951024973493 0.86234549321413 1.008 8 H 0.15951024973493 0.31902049946987 0.13765450678587 1.008 9 H 0.68097950053013 0.84048975026507 0.13765450678587 1.008 10 H 0.15951024973493 0.84048975026507 0.13765450678587 1.008 11 H 0.66666666666667 0.33333333333333 0.39286325599369 1.008 12 H 0.33333333333333 0.66666666666667 0.60713674400631 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.008266708447252 0.000000000000000 0.000000000000000 b -4.504133354223626 7.801387813580946 0.000000000000000 c 0.000000000000000 0.000000000000000 13.748781060000001 Atomic positions (fractional): 1 Ba 0.00000000000000 0.00000000000000 0.25000000000000 137.327 > 1 2 Ba 0.50000000000000 0.00000000000000 0.25000000000000 137.327 > 1 3 Ba 0.00000000000000 0.50000000000000 0.25000000000000 137.327 > 1 4 Ba 0.50000000000000 0.50000000000000 0.25000000000000 137.327 > 1 5 Ba 0.00000000000000 0.00000000000000 0.75000000000000 137.327 > 1 6 Ba 0.50000000000000 0.00000000000000 0.75000000000000 137.327 > 1 7 Ba 0.00000000000000 0.50000000000000 0.75000000000000 137.327 > 1 8 Ba 0.50000000000000 0.50000000000000 0.75000000000000 137.327 > 1 9 Mg 0.33333333333333 0.16666666666667 0.05647432405429 24.305 > 9 10 Mg 0.83333333333333 0.16666666666667 0.05647432405429 24.305 > 9 11 Mg 0.33333333333333 0.66666666666667 0.05647432405429 24.305 > 9 12 Mg 0.83333333333333 0.66666666666667 0.05647432405429 24.305 > 9 13 Mg 0.33333333333333 0.16666666666667 0.55647432405429 24.305 > 9 14 Mg 0.83333333333333 0.16666666666667 0.55647432405429 24.305 > 9 15 Mg 0.33333333333333 0.66666666666667 0.55647432405429 24.305 > 9 16 Mg 0.83333333333333 0.66666666666667 0.55647432405429 24.305 > 9 17 Mg 0.16666666666667 0.33333333333333 0.44352567594571 24.305 > 17 18 Mg 0.66666666666667 0.33333333333333 0.44352567594571 24.305 > 17 19 Mg 0.16666666666667 0.83333333333333 0.44352567594571 24.305 > 17 20 Mg 0.66666666666667 0.83333333333333 0.44352567594571 24.305 > 17 21 Mg 0.16666666666667 0.33333333333333 0.94352567594571 24.305 > 17 22 Mg 0.66666666666667 0.33333333333333 0.94352567594571 24.305 > 17 23 Mg 0.16666666666667 0.83333333333333 0.94352567594571 24.305 > 17 24 Mg 0.66666666666667 0.83333333333333 0.94352567594571 24.305 > 17 25 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 > 25 26 Fe 0.50000000000000 0.00000000000000 0.00000000000000 55.845 > 25 27 Fe 0.00000000000000 0.50000000000000 0.00000000000000 55.845 > 25 28 Fe 0.50000000000000 0.50000000000000 0.00000000000000 55.845 > 25 29 Fe 0.00000000000000 0.00000000000000 0.50000000000000 55.845 > 25 30 Fe 0.50000000000000 0.00000000000000 0.50000000000000 55.845 > 25 31 Fe 0.00000000000000 0.50000000000000 0.50000000000000 55.845 > 25 32 Fe 0.50000000000000 0.50000000000000 0.50000000000000 55.845 > 25 33 H 0.42024487513253 0.34048975026507 0.43117274660706 1.008 > 33 34 H 0.92024487513253 0.34048975026507 0.43117274660706 1.008 > 33 35 H 0.42024487513253 0.84048975026507 0.43117274660706 1.008 > 33 36 H 0.92024487513253 0.84048975026507 0.43117274660706 1.008 > 33 37 H 0.42024487513253 0.34048975026507 0.93117274660706 1.008 > 33 38 H 0.92024487513253 0.34048975026507 0.93117274660706 1.008 > 33 39 H 0.42024487513253 0.84048975026507 0.93117274660706 1.008 > 33 40 H 0.92024487513253 0.84048975026507 0.93117274660706 1.008 > 33 41 H 0.15951024973493 0.07975512486747 0.43117274660706 1.008 > 41 42 H 0.65951024973493 0.07975512486747 0.43117274660706 1.008 > 41 43 H 0.15951024973493 0.57975512486747 0.43117274660706 1.008 > 41 44 H 0.65951024973493 0.57975512486747 0.43117274660706 1.008 > 41 45 H 0.15951024973493 0.07975512486747 0.93117274660706 1.008 > 41 46 H 0.65951024973493 0.07975512486747 0.93117274660706 1.008 > 41 47 H 0.15951024973493 0.57975512486747 0.93117274660706 1.008 > 41 48 H 0.65951024973493 0.57975512486747 0.93117274660706 1.008 > 41 49 H 0.42024487513253 0.07975512486747 0.43117274660706 1.008 > 49 50 H 0.92024487513253 0.07975512486747 0.43117274660706 1.008 > 49 51 H 0.42024487513253 0.57975512486747 0.43117274660706 1.008 > 49 52 H 0.92024487513253 0.57975512486747 0.43117274660706 1.008 > 49 53 H 0.42024487513253 0.07975512486747 0.93117274660706 1.008 > 49 54 H 0.92024487513253 0.07975512486747 0.93117274660706 1.008 > 49 55 H 0.42024487513253 0.57975512486747 0.93117274660706 1.008 > 49 56 H 0.92024487513253 0.57975512486747 0.93117274660706 1.008 > 49 57 H 0.07975512486747 0.15951024973493 0.06882725339294 1.008 > 57 58 H 0.57975512486747 0.15951024973493 0.06882725339294 1.008 > 57 59 H 0.07975512486747 0.65951024973493 0.06882725339294 1.008 > 57 60 H 0.57975512486747 0.65951024973493 0.06882725339294 1.008 > 57 61 H 0.07975512486747 0.15951024973493 0.56882725339294 1.008 > 57 62 H 0.57975512486747 0.15951024973493 0.56882725339294 1.008 > 57 63 H 0.07975512486747 0.65951024973493 0.56882725339294 1.008 > 57 64 H 0.57975512486747 0.65951024973493 0.56882725339294 1.008 > 57 65 H 0.34048975026507 0.42024487513253 0.06882725339294 1.008 > 65 66 H 0.84048975026507 0.42024487513253 0.06882725339294 1.008 > 65 67 H 0.34048975026507 0.92024487513253 0.06882725339294 1.008 > 65 68 H 0.84048975026507 0.92024487513253 0.06882725339294 1.008 > 65 69 H 0.34048975026507 0.42024487513253 0.56882725339294 1.008 > 65 70 H 0.84048975026507 0.42024487513253 0.56882725339294 1.008 > 65 71 H 0.34048975026507 0.92024487513253 0.56882725339294 1.008 > 65 72 H 0.84048975026507 0.92024487513253 0.56882725339294 1.008 > 65 73 H 0.07975512486747 0.42024487513253 0.06882725339294 1.008 > 73 74 H 0.57975512486747 0.42024487513253 0.06882725339294 1.008 > 73 75 H 0.07975512486747 0.92024487513253 0.06882725339294 1.008 > 73 76 H 0.57975512486747 0.92024487513253 0.06882725339294 1.008 > 73 77 H 0.07975512486747 0.42024487513253 0.56882725339294 1.008 > 73 78 H 0.57975512486747 0.42024487513253 0.56882725339294 1.008 > 73 79 H 0.07975512486747 0.92024487513253 0.56882725339294 1.008 > 73 80 H 0.57975512486747 0.92024487513253 0.56882725339294 1.008 > 73 81 H 0.33333333333333 0.16666666666667 0.19643162799685 1.008 > 81 82 H 0.83333333333333 0.16666666666667 0.19643162799685 1.008 > 81 83 H 0.33333333333333 0.66666666666667 0.19643162799685 1.008 > 81 84 H 0.83333333333333 0.66666666666667 0.19643162799685 1.008 > 81 85 H 0.33333333333333 0.16666666666667 0.69643162799685 1.008 > 81 86 H 0.83333333333333 0.16666666666667 0.69643162799685 1.008 > 81 87 H 0.33333333333333 0.66666666666667 0.69643162799685 1.008 > 81 88 H 0.83333333333333 0.66666666666667 0.69643162799685 1.008 > 81 89 H 0.16666666666667 0.33333333333333 0.30356837200315 1.008 > 89 90 H 0.66666666666667 0.33333333333333 0.30356837200315 1.008 > 89 91 H 0.16666666666667 0.83333333333333 0.30356837200315 1.008 > 89 92 H 0.66666666666667 0.83333333333333 0.30356837200315 1.008 > 89 93 H 0.16666666666667 0.33333333333333 0.80356837200315 1.008 > 89 94 H 0.66666666666667 0.33333333333333 0.80356837200315 1.008 > 89 95 H 0.16666666666667 0.83333333333333 0.80356837200315 1.008 > 89 96 H 0.66666666666667 0.83333333333333 0.80356837200315 1.008 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9598733 0.0000000 0.0000000 0.0000000 4.9598733 0.0000000 0.0000000 0.0000000 4.9115660 -------------------------- Born effective charges -------------------------- 1 Ba 2.1143147 0.0000000 -0.0000000 0.0000000 2.1143147 0.0000000 0.0000000 -0.0000000 3.1782910 2 Mg 2.1049618 0.0000000 -0.0000000 0.0000000 2.1049618 0.0000000 0.0000000 -0.0000000 1.5309511 3 Mg 2.1049618 0.0000000 -0.0000000 0.0000000 2.1049618 0.0000000 0.0000000 -0.0000000 1.5309511 4 Fe -3.0858956 0.0000000 -0.0000000 0.0000000 -3.0858956 0.0000000 0.0000000 -0.0000000 -2.6089276 5 H 0.1058638 -0.0000000 -0.0000000 0.0000000 -0.5183536 -0.4376040 0.0000000 -0.3185597 -0.2379705 6 H -0.3622993 -0.2702941 0.3789762 -0.2702941 -0.0501905 0.2188020 0.2758808 0.1592799 -0.2379705 7 H -0.3622993 0.2702941 -0.3789762 0.2702941 -0.0501905 0.2188020 -0.2758808 0.1592799 -0.2379705 8 H 0.1058638 -0.0000000 -0.0000000 0.0000000 -0.5183536 -0.4376040 0.0000000 -0.3185597 -0.2379705 9 H -0.3622993 -0.2702941 0.3789762 -0.2702941 -0.0501905 0.2188020 0.2758808 0.1592799 -0.2379705 10 H -0.3622993 0.2702941 -0.3789762 0.2702941 -0.0501905 0.2188020 -0.2758808 0.1592799 -0.2379705 11 H -1.0004367 0.0000000 -0.0000000 0.0000000 -1.0004367 0.0000000 0.0000000 -0.0000000 -1.1017214 12 H -1.0004367 0.0000000 -0.0000000 0.0000000 -1.0004367 0.0000000 0.0000000 -0.0000000 -1.1017214 ---------------------------------------------------------------------------- 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[ 9, 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000009 (yyy) 0.00000009 (yyy) 0.00000009 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000004 (zy) 0.00000004 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:10:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:10:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.504133354223626 0.000000000000000 0.000000000000000 b -2.252066677111813 3.900693906790473 0.000000000000000 c 0.000000000000000 0.000000000000000 6.874390530000000 Atomic positions (fractional): 1 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 2 Mg 0.66666666666667 0.33333333333333 0.11294864810858 24.305 3 Mg 0.33333333333333 0.66666666666667 0.88705135189142 24.305 4 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 5 H 0.84048975026507 0.68097950053013 0.86234549321413 1.008 6 H 0.31902049946987 0.15951024973493 0.86234549321413 1.008 7 H 0.84048975026507 0.15951024973493 0.86234549321413 1.008 8 H 0.15951024973493 0.31902049946987 0.13765450678587 1.008 9 H 0.68097950053013 0.84048975026507 0.13765450678587 1.008 10 H 0.15951024973493 0.84048975026507 0.13765450678587 1.008 11 H 0.66666666666667 0.33333333333333 0.39286325599369 1.008 12 H 0.33333333333333 0.66666666666667 0.60713674400631 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.008266708447252 0.000000000000000 0.000000000000000 b -4.504133354223626 7.801387813580946 0.000000000000000 c 0.000000000000000 0.000000000000000 13.748781060000001 Atomic positions (fractional): 1 Ba 0.00000000000000 0.00000000000000 0.25000000000000 137.327 > 1 2 Ba 0.50000000000000 0.00000000000000 0.25000000000000 137.327 > 1 3 Ba 0.00000000000000 0.50000000000000 0.25000000000000 137.327 > 1 4 Ba 0.50000000000000 0.50000000000000 0.25000000000000 137.327 > 1 5 Ba 0.00000000000000 0.00000000000000 0.75000000000000 137.327 > 1 6 Ba 0.50000000000000 0.00000000000000 0.75000000000000 137.327 > 1 7 Ba 0.00000000000000 0.50000000000000 0.75000000000000 137.327 > 1 8 Ba 0.50000000000000 0.50000000000000 0.75000000000000 137.327 > 1 9 Mg 0.33333333333333 0.16666666666667 0.05647432405429 24.305 > 9 10 Mg 0.83333333333333 0.16666666666667 0.05647432405429 24.305 > 9 11 Mg 0.33333333333333 0.66666666666667 0.05647432405429 24.305 > 9 12 Mg 0.83333333333333 0.66666666666667 0.05647432405429 24.305 > 9 13 Mg 0.33333333333333 0.16666666666667 0.55647432405429 24.305 > 9 14 Mg 0.83333333333333 0.16666666666667 0.55647432405429 24.305 > 9 15 Mg 0.33333333333333 0.66666666666667 0.55647432405429 24.305 > 9 16 Mg 0.83333333333333 0.66666666666667 0.55647432405429 24.305 > 9 17 Mg 0.16666666666667 0.33333333333333 0.44352567594571 24.305 > 17 18 Mg 0.66666666666667 0.33333333333333 0.44352567594571 24.305 > 17 19 Mg 0.16666666666667 0.83333333333333 0.44352567594571 24.305 > 17 20 Mg 0.66666666666667 0.83333333333333 0.44352567594571 24.305 > 17 21 Mg 0.16666666666667 0.33333333333333 0.94352567594571 24.305 > 17 22 Mg 0.66666666666667 0.33333333333333 0.94352567594571 24.305 > 17 23 Mg 0.16666666666667 0.83333333333333 0.94352567594571 24.305 > 17 24 Mg 0.66666666666667 0.83333333333333 0.94352567594571 24.305 > 17 25 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 > 25 26 Fe 0.50000000000000 0.00000000000000 0.00000000000000 55.845 > 25 27 Fe 0.00000000000000 0.50000000000000 0.00000000000000 55.845 > 25 28 Fe 0.50000000000000 0.50000000000000 0.00000000000000 55.845 > 25 29 Fe 0.00000000000000 0.00000000000000 0.50000000000000 55.845 > 25 30 Fe 0.50000000000000 0.00000000000000 0.50000000000000 55.845 > 25 31 Fe 0.00000000000000 0.50000000000000 0.50000000000000 55.845 > 25 32 Fe 0.50000000000000 0.50000000000000 0.50000000000000 55.845 > 25 33 H 0.42024487513253 0.34048975026507 0.43117274660706 1.008 > 33 34 H 0.92024487513253 0.34048975026507 0.43117274660706 1.008 > 33 35 H 0.42024487513253 0.84048975026507 0.43117274660706 1.008 > 33 36 H 0.92024487513253 0.84048975026507 0.43117274660706 1.008 > 33 37 H 0.42024487513253 0.34048975026507 0.93117274660706 1.008 > 33 38 H 0.92024487513253 0.34048975026507 0.93117274660706 1.008 > 33 39 H 0.42024487513253 0.84048975026507 0.93117274660706 1.008 > 33 40 H 0.92024487513253 0.84048975026507 0.93117274660706 1.008 > 33 41 H 0.15951024973493 0.07975512486747 0.43117274660706 1.008 > 41 42 H 0.65951024973493 0.07975512486747 0.43117274660706 1.008 > 41 43 H 0.15951024973493 0.57975512486747 0.43117274660706 1.008 > 41 44 H 0.65951024973493 0.57975512486747 0.43117274660706 1.008 > 41 45 H 0.15951024973493 0.07975512486747 0.93117274660706 1.008 > 41 46 H 0.65951024973493 0.07975512486747 0.93117274660706 1.008 > 41 47 H 0.15951024973493 0.57975512486747 0.93117274660706 1.008 > 41 48 H 0.65951024973493 0.57975512486747 0.93117274660706 1.008 > 41 49 H 0.42024487513253 0.07975512486747 0.43117274660706 1.008 > 49 50 H 0.92024487513253 0.07975512486747 0.43117274660706 1.008 > 49 51 H 0.42024487513253 0.57975512486747 0.43117274660706 1.008 > 49 52 H 0.92024487513253 0.57975512486747 0.43117274660706 1.008 > 49 53 H 0.42024487513253 0.07975512486747 0.93117274660706 1.008 > 49 54 H 0.92024487513253 0.07975512486747 0.93117274660706 1.008 > 49 55 H 0.42024487513253 0.57975512486747 0.93117274660706 1.008 > 49 56 H 0.92024487513253 0.57975512486747 0.93117274660706 1.008 > 49 57 H 0.07975512486747 0.15951024973493 0.06882725339294 1.008 > 57 58 H 0.57975512486747 0.15951024973493 0.06882725339294 1.008 > 57 59 H 0.07975512486747 0.65951024973493 0.06882725339294 1.008 > 57 60 H 0.57975512486747 0.65951024973493 0.06882725339294 1.008 > 57 61 H 0.07975512486747 0.15951024973493 0.56882725339294 1.008 > 57 62 H 0.57975512486747 0.15951024973493 0.56882725339294 1.008 > 57 63 H 0.07975512486747 0.65951024973493 0.56882725339294 1.008 > 57 64 H 0.57975512486747 0.65951024973493 0.56882725339294 1.008 > 57 65 H 0.34048975026507 0.42024487513253 0.06882725339294 1.008 > 65 66 H 0.84048975026507 0.42024487513253 0.06882725339294 1.008 > 65 67 H 0.34048975026507 0.92024487513253 0.06882725339294 1.008 > 65 68 H 0.84048975026507 0.92024487513253 0.06882725339294 1.008 > 65 69 H 0.34048975026507 0.42024487513253 0.56882725339294 1.008 > 65 70 H 0.84048975026507 0.42024487513253 0.56882725339294 1.008 > 65 71 H 0.34048975026507 0.92024487513253 0.56882725339294 1.008 > 65 72 H 0.84048975026507 0.92024487513253 0.56882725339294 1.008 > 65 73 H 0.07975512486747 0.42024487513253 0.06882725339294 1.008 > 73 74 H 0.57975512486747 0.42024487513253 0.06882725339294 1.008 > 73 75 H 0.07975512486747 0.92024487513253 0.06882725339294 1.008 > 73 76 H 0.57975512486747 0.92024487513253 0.06882725339294 1.008 > 73 77 H 0.07975512486747 0.42024487513253 0.56882725339294 1.008 > 73 78 H 0.57975512486747 0.42024487513253 0.56882725339294 1.008 > 73 79 H 0.07975512486747 0.92024487513253 0.56882725339294 1.008 > 73 80 H 0.57975512486747 0.92024487513253 0.56882725339294 1.008 > 73 81 H 0.33333333333333 0.16666666666667 0.19643162799685 1.008 > 81 82 H 0.83333333333333 0.16666666666667 0.19643162799685 1.008 > 81 83 H 0.33333333333333 0.66666666666667 0.19643162799685 1.008 > 81 84 H 0.83333333333333 0.66666666666667 0.19643162799685 1.008 > 81 85 H 0.33333333333333 0.16666666666667 0.69643162799685 1.008 > 81 86 H 0.83333333333333 0.16666666666667 0.69643162799685 1.008 > 81 87 H 0.33333333333333 0.66666666666667 0.69643162799685 1.008 > 81 88 H 0.83333333333333 0.66666666666667 0.69643162799685 1.008 > 81 89 H 0.16666666666667 0.33333333333333 0.30356837200315 1.008 > 89 90 H 0.66666666666667 0.33333333333333 0.30356837200315 1.008 > 89 91 H 0.16666666666667 0.83333333333333 0.30356837200315 1.008 > 89 92 H 0.66666666666667 0.83333333333333 0.30356837200315 1.008 > 89 93 H 0.16666666666667 0.33333333333333 0.80356837200315 1.008 > 89 94 H 0.66666666666667 0.33333333333333 0.80356837200315 1.008 > 89 95 H 0.16666666666667 0.83333333333333 0.80356837200315 1.008 > 89 96 H 0.66666666666667 0.83333333333333 0.80356837200315 1.008 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.9598733 0.0000000 0.0000000 0.0000000 4.9598733 0.0000000 0.0000000 0.0000000 4.9115660 -------------------------- Born effective charges -------------------------- 1 Ba 2.1143147 0.0000000 -0.0000000 0.0000000 2.1143147 0.0000000 0.0000000 -0.0000000 3.1782910 2 Mg 2.1049618 0.0000000 -0.0000000 0.0000000 2.1049618 0.0000000 0.0000000 -0.0000000 1.5309511 3 Mg 2.1049618 0.0000000 -0.0000000 0.0000000 2.1049618 0.0000000 0.0000000 -0.0000000 1.5309511 4 Fe -3.0858956 0.0000000 -0.0000000 0.0000000 -3.0858956 0.0000000 0.0000000 -0.0000000 -2.6089276 5 H 0.1058638 -0.0000000 -0.0000000 0.0000000 -0.5183536 -0.4376040 0.0000000 -0.3185597 -0.2379705 6 H -0.3622993 -0.2702941 0.3789762 -0.2702941 -0.0501905 0.2188020 0.2758808 0.1592799 -0.2379705 7 H -0.3622993 0.2702941 -0.3789762 0.2702941 -0.0501905 0.2188020 -0.2758808 0.1592799 -0.2379705 8 H 0.1058638 -0.0000000 -0.0000000 0.0000000 -0.5183536 -0.4376040 0.0000000 -0.3185597 -0.2379705 9 H -0.3622993 -0.2702941 0.3789762 -0.2702941 -0.0501905 0.2188020 0.2758808 0.1592799 -0.2379705 10 H -0.3622993 0.2702941 -0.3789762 0.2702941 -0.0501905 0.2188020 -0.2758808 0.1592799 -0.2379705 11 H -1.0004367 0.0000000 -0.0000000 0.0000000 -1.0004367 0.0000000 0.0000000 -0.0000000 -1.1017214 12 H -1.0004367 0.0000000 -0.0000000 0.0000000 -1.0004367 0.0000000 0.0000000 -0.0000000 -1.1017214 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000009 (yyy) 0.00000009 (yyy) 0.00000009 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.84, Number of G-points: 299, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/126) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.064 ( 0.000 0.000 0.000) 0.000 3.064 ( 0.000 0.000 0.000) 0.000 4.143 ( 0.000 0.000 0.000) 0.000 6.996 ( 0.000 0.000 0.000) 0.000 6.996 ( 0.000 0.000 0.000) 0.000 7.383 ( 0.000 0.000 0.000) 0.000 7.383 ( 0.000 0.000 0.000) 0.000 7.503 ( 0.000 0.000 0.000) 0.000 8.586 ( 0.000 0.000 0.000) 0.000 10.375 ( 0.000 0.000 0.000) 0.000 15.913 ( 0.000 0.000 0.000) 0.000 15.913 ( 0.000 0.000 0.000) 0.000 20.743 ( 0.000 0.000 0.000) 0.000 20.743 ( 0.000 0.000 0.000) 0.000 21.298 ( 0.000 0.000 0.000) 0.000 24.375 ( 0.000 0.000 0.000) 0.000 24.375 ( 0.000 0.000 0.000) 0.000 24.548 ( 0.000 0.000 0.000) 0.000 24.548 ( 0.000 0.000 0.000) 0.000 25.438 ( 0.000 0.000 0.000) 0.000 25.438 ( 0.000 0.000 0.000) 0.000 26.944 ( 0.000 0.000 0.000) 0.000 27.979 ( 0.000 0.000 0.000) 0.000 27.979 ( 0.000 0.000 0.000) 0.000 28.724 ( 0.000 0.000 0.000) 0.000 30.903 ( 0.000 0.000 0.000) 0.000 33.181 ( 0.000 0.000 0.000) 0.000 51.048 ( 0.000 0.000 0.000) 0.000 51.048 ( 0.000 0.000 0.000) 0.000 53.562 ( 0.000 0.000 0.000) 0.000 54.715 ( 0.000 0.000 0.000) 0.000 54.715 ( 0.000 0.000 0.000) 0.000 55.318 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/126) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 28.441 16.420 3.248) 33.001 0.760 ( 31.376 18.115 3.213) 36.372 1.172 ( 47.334 27.328 -3.528) 54.770 3.168 ( 9.150 5.283 -1.550) 10.678 3.331 ( 14.667 8.468 1.174) 16.976 4.134 ( -0.723 -0.417 0.804) 1.159 6.853 ( -9.968 -5.755 -0.041) 11.510 7.335 ( -3.902 -2.253 -3.091) 5.464 7.499 ( 7.698 4.445 -0.005) 8.889 7.519 ( 1.476 0.852 0.013) 1.704 8.559 ( -2.641 -1.525 9.729) 10.195 9.291 ( 4.481 2.587 -6.969) 8.680 10.609 ( 19.958 11.523 -0.001) 23.045 15.935 ( 2.079 1.200 -0.083) 2.402 16.045 ( 11.456 6.614 -0.044) 13.228 20.874 ( 11.203 6.468 1.640) 13.040 21.314 ( 1.404 0.811 0.071) 1.623 23.780 ( -2.386 -1.378 -4.715) 5.461 24.245 ( -10.563 -6.099 -2.114) 12.379 24.339 ( -0.905 -0.522 2.579) 2.783 24.561 ( 0.404 0.233 0.461) 0.656 24.675 ( 1.087 0.627 0.456) 1.335 25.380 ( -5.094 -2.941 0.206) 5.886 25.784 ( -1.682 -0.971 -0.336) 1.971 26.897 ( -4.002 -2.311 0.573) 4.657 27.949 ( -2.582 -1.491 0.099) 2.983 27.962 ( -1.523 -0.879 -0.112) 1.762 28.695 ( -2.493 -1.439 -0.001) 2.879 30.929 ( 2.240 1.293 1.000) 2.773 33.074 ( -9.189 -5.305 -0.023) 10.610 51.037 ( -0.940 -0.543 0.105) 1.090 52.014 ( 3.215 1.856 -1.114) 3.875 53.314 ( -18.246 -10.534 4.697) 21.585 54.720 ( 0.428 0.247 -0.095) 0.503 54.914 ( 14.174 8.184 -3.371) 16.711 55.294 ( -1.977 -1.141 -0.061) 2.284 ======================= Grid point 2 (3/126) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 26.108 15.073 3.677) 30.370 1.391 ( 23.522 13.580 3.498) 27.385 2.069 ( 30.498 17.608 -2.639) 35.314 3.477 ( 17.784 10.267 -2.664) 20.707 3.847 ( 29.178 16.846 2.530) 33.787 4.125 ( 1.119 0.646 -0.476) 1.377 6.609 ( -10.836 -6.256 -0.002) 12.512 7.225 ( -5.420 -3.129 -3.889) 7.368 7.572 ( 3.288 1.898 0.124) 3.799 7.672 ( 6.978 4.029 -0.029) 8.058 8.456 ( -6.294 -3.634 9.670) 12.097 9.428 ( 6.957 4.016 -6.293) 10.204 11.231 ( 33.169 19.150 -0.005) 38.300 16.014 ( 4.996 2.884 -0.036) 5.769 16.417 ( 20.691 11.946 -0.180) 23.892 21.222 ( 17.553 10.134 1.290) 20.310 21.367 ( 4.325 2.497 1.618) 5.250 23.552 ( -17.675 -10.205 -4.413) 20.881 23.920 ( -17.483 -10.094 -2.951) 20.402 24.448 ( 10.041 5.797 0.035) 11.595 24.552 ( -1.367 -0.789 -0.040) 1.579 24.714 ( 2.642 1.525 1.368) 3.344 25.214 ( -9.087 -5.246 0.365) 10.499 25.724 ( -3.624 -2.093 -0.471) 4.211 26.773 ( -6.554 -3.784 1.049) 7.640 27.866 ( -4.653 -2.687 0.186) 5.377 27.910 ( -3.069 -1.772 -0.228) 3.551 28.617 ( -4.175 -2.410 -0.008) 4.820 31.000 ( 3.833 2.213 1.923) 4.826 32.780 ( -16.102 -9.297 -0.175) 18.594 51.006 ( -1.662 -0.960 0.183) 1.928 52.086 ( 1.229 0.709 -3.175) 3.478 52.882 ( -16.560 -9.561 7.200) 20.432 54.734 ( 0.752 0.434 -0.166) 0.884 55.177 ( 0.172 0.099 -0.539) 0.574 55.301 ( 10.126 5.846 -3.232) 12.131 ======================= Grid point 3 (4/126) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 14.955 8.634 3.265) 17.574 1.831 ( 21.591 12.466 4.328) 25.304 2.589 ( 16.617 9.594 -0.809) 19.205 3.951 ( 22.935 13.241 -2.893) 26.641 4.105 ( 1.851 1.069 1.338) 2.521 4.663 ( 35.450 20.467 -1.510) 40.962 6.372 ( -9.894 -5.712 0.124) 11.425 7.100 ( -5.409 -3.123 -3.416) 7.118 7.675 ( 5.913 3.414 0.509) 6.847 7.808 ( 4.881 2.818 -0.036) 5.636 8.287 ( -8.137 -4.698 5.664) 10.971 9.579 ( 5.715 3.299 -2.882) 7.200 12.043 ( 36.377 21.002 -0.010) 42.005 16.174 ( 9.259 5.346 0.111) 10.692 16.958 ( 26.079 15.057 -0.438) 30.117 21.399 ( 2.952 1.704 -1.324) 3.657 21.741 ( 22.505 12.994 4.603) 26.392 23.045 ( -25.324 -14.621 -2.662) 29.363 23.477 ( -20.689 -11.945 -3.131) 24.094 24.483 ( -5.355 -3.092 -0.523) 6.206 24.655 ( 4.858 2.805 -1.435) 5.790 24.848 ( 10.190 5.883 0.474) 11.776 24.993 ( -9.395 -5.424 0.429) 10.857 25.630 ( -3.916 -2.261 -0.385) 4.538 26.617 ( -6.667 -3.849 1.361) 7.818 27.745 ( -5.749 -3.319 0.242) 6.643 27.824 ( -4.425 -2.555 -0.332) 5.121 28.515 ( -4.525 -2.612 -0.028) 5.225 31.094 ( 4.023 2.323 2.650) 5.348 32.374 ( -18.703 -10.798 -0.533) 21.603 50.964 ( -2.002 -1.156 0.215) 2.322 51.940 ( -14.436 -8.335 -2.927) 16.925 52.724 ( 3.556 2.053 6.426) 7.626 54.753 ( 0.899 0.519 -0.198) 1.057 55.070 ( -6.700 -3.868 0.125) 7.738 55.582 ( 11.489 6.633 -3.341) 13.681 ======================= Grid point 4 (5/126) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 8.776 5.067 2.527) 10.444 2.249 ( 14.924 8.616 4.413) 17.789 2.875 ( 9.104 5.256 1.377) 10.602 4.182 ( 5.193 2.998 -1.924) 6.297 4.482 ( 23.015 13.288 -2.467) 26.690 5.399 ( 27.615 15.944 -0.990) 31.903 6.157 ( -9.165 -5.291 0.334) 10.588 6.975 ( -5.722 -3.303 -2.839) 7.191 7.844 ( 8.279 4.780 1.117) 9.624 7.895 ( 2.799 1.616 -0.023) 3.232 8.117 ( -5.533 -3.194 2.175) 6.749 9.670 ( 2.091 1.207 -0.352) 2.440 12.814 ( 29.949 17.291 0.003) 34.582 16.439 ( 13.838 7.990 0.212) 15.980 17.567 ( 26.454 15.273 -0.733) 30.556 21.457 ( 2.053 1.185 -0.915) 2.541 22.237 ( 19.605 11.319 3.444) 22.898 22.454 ( -25.440 -14.688 -1.507) 29.414 23.022 ( -17.948 -10.362 -2.357) 20.858 24.285 ( -11.795 -6.810 -0.533) 13.630 24.694 ( -0.632 -0.365 0.437) 0.851 24.830 ( -4.656 -2.688 0.145) 5.378 25.035 ( 3.223 1.861 -1.883) 4.171 25.620 ( 4.767 2.752 -0.653) 5.543 26.483 ( -5.000 -2.887 1.527) 5.971 27.614 ( -5.543 -3.200 0.244) 6.405 27.715 ( -4.917 -2.839 -0.383) 5.690 28.420 ( -3.676 -2.123 -0.055) 4.245 31.161 ( 1.177 0.680 2.992) 3.287 31.977 ( -14.871 -8.586 -1.008) 17.201 50.919 ( -1.883 -1.087 0.197) 2.184 51.558 ( -16.841 -9.723 -0.838) 19.465 52.925 ( 11.906 6.874 3.500) 14.187 54.773 ( 0.839 0.485 -0.184) 0.986 54.893 ( -8.703 -5.024 0.019) 10.049 55.803 ( 7.887 4.554 -2.436) 9.427 ======================= Grid point 5 (6/126) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 4.613 2.663 1.573) 5.554 2.507 ( 7.885 4.552 3.165) 9.639 3.023 ( 4.285 2.474 2.534) 5.559 4.329 ( 6.995 4.038 -3.428) 8.774 4.975 ( 19.903 11.491 -1.871) 23.058 5.891 ( 15.736 9.085 0.052) 18.171 5.944 ( -9.777 -5.645 0.606) 11.306 6.835 ( -6.478 -3.740 -2.290) 7.823 7.904 ( -2.889 -1.668 1.088) 3.509 7.940 ( 1.263 0.729 -0.004) 1.459 8.186 ( 10.786 6.227 0.207) 12.456 9.673 ( -1.561 -0.901 0.765) 1.958 13.365 ( 18.061 10.427 0.030) 20.855 16.773 ( 14.312 8.263 0.177) 16.527 18.116 ( 20.673 11.935 -0.821) 23.885 21.489 ( 0.712 0.411 -0.649) 1.048 21.935 ( -19.188 -11.078 -0.615) 22.165 22.480 ( -3.305 -1.908 -0.780) 3.896 22.814 ( 4.800 2.771 1.528) 5.750 23.996 ( -12.217 -7.054 -0.232) 14.109 24.628 ( -4.794 -2.768 0.741) 5.585 24.764 ( -1.640 -0.947 -0.163) 1.901 25.032 ( -1.142 -0.660 -1.332) 1.874 25.804 ( 9.013 5.204 -1.414) 10.503 26.390 ( -3.160 -1.824 1.516) 3.951 27.503 ( -3.994 -2.306 0.181) 4.616 27.612 ( -3.857 -2.227 -0.327) 4.465 28.352 ( -2.261 -1.306 -0.061) 2.612 31.120 ( -4.525 -2.612 2.235) 5.683 31.747 ( -5.130 -2.962 -0.841) 5.984 50.881 ( -1.334 -0.770 0.136) 1.547 51.227 ( -11.624 -6.711 -0.180) 13.423 53.209 ( 12.116 6.995 1.894) 14.118 54.686 ( -9.051 -5.225 -0.098) 10.451 54.790 ( 0.591 0.341 -0.129) 0.694 55.943 ( 4.475 2.584 -1.453) 5.368 ======================= Grid point 6 (7/126) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 1.441 0.832 0.533) 1.748 2.620 ( 2.314 1.336 1.107) 2.892 3.084 ( 1.231 0.711 1.237) 1.884 4.458 ( 3.355 1.937 -1.669) 4.218 5.381 ( 15.746 9.091 -1.340) 18.231 5.698 ( -12.067 -6.967 0.929) 13.965 6.134 ( 5.656 3.266 0.496) 6.550 6.705 ( -3.896 -2.250 -1.126) 4.638 7.848 ( -1.344 -0.776 0.221) 1.568 7.957 ( 0.335 0.193 0.002) 0.387 8.408 ( 6.226 3.595 -0.026) 7.189 9.625 ( -1.778 -1.027 0.514) 2.117 13.635 ( 5.793 3.345 0.021) 6.689 17.024 ( 6.341 3.661 0.061) 7.323 18.456 ( 8.093 4.672 -0.394) 9.353 21.493 ( -0.085 -0.049 -0.260) 0.278 21.624 ( -7.304 -4.217 -0.108) 8.434 22.346 ( -3.972 -2.293 -0.626) 4.629 22.978 ( 4.859 2.806 0.887) 5.681 23.785 ( -5.261 -3.037 -0.018) 6.075 24.526 ( -2.953 -1.705 0.268) 3.420 24.742 ( -0.442 -0.255 -0.116) 0.524 25.019 ( -0.140 -0.081 -0.397) 0.428 25.960 ( 3.886 2.244 -0.857) 4.569 26.338 ( -1.300 -0.750 0.810) 1.705 27.439 ( -1.451 -0.838 0.067) 1.677 27.550 ( -1.440 -0.831 -0.132) 1.668 28.317 ( -0.749 -0.433 -0.027) 0.865 31.017 ( -3.039 -1.754 0.700) 3.578 31.698 ( -0.441 -0.255 -0.200) 0.547 50.860 ( -0.481 -0.278 0.048) 0.558 51.045 ( -4.092 -2.362 -0.021) 4.725 53.429 ( 5.898 3.405 0.652) 6.842 54.516 ( -4.720 -2.725 -0.094) 5.451 54.799 ( 0.212 0.123 -0.046) 0.250 56.009 ( 1.438 0.830 -0.480) 1.729 ======================= Grid point 14 (8/126) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 14.751 25.549 0.000) 29.502 1.285 ( 16.209 28.074 0.000) 32.418 1.859 ( 20.149 34.898 0.000) 40.297 3.380 ( 9.313 16.130 0.000) 18.625 3.673 ( 15.272 26.451 0.000) 30.543 4.121 ( -0.393 -0.680 0.000) 0.785 6.687 ( -5.755 -9.969 0.000) 11.511 7.300 ( -1.908 -3.305 0.000) 3.817 7.534 ( 0.541 0.937 0.000) 1.082 7.556 ( 1.709 2.959 0.000) 3.417 8.555 ( 0.012 0.021 0.000) 0.025 9.362 ( 2.735 4.738 0.000) 5.471 11.038 ( 17.749 30.743 0.000) 35.499 15.984 ( 2.191 3.796 0.000) 4.383 16.299 ( 10.788 18.686 0.000) 21.577 21.107 ( 9.585 16.602 0.000) 19.171 21.343 ( 1.236 2.140 0.000) 2.471 23.704 ( -5.609 -9.714 0.000) 11.217 24.026 ( -8.781 -15.210 0.000) 17.563 24.345 ( 2.441 4.229 0.000) 4.883 24.561 ( -0.364 -0.630 0.000) 0.727 24.700 ( 1.127 1.951 0.000) 2.253 25.263 ( -4.977 -8.621 0.000) 9.954 25.749 ( -1.534 -2.658 0.000) 3.069 26.809 ( -3.680 -6.374 0.000) 7.360 27.891 ( -2.514 -4.354 0.000) 5.027 27.929 ( -1.406 -2.436 0.000) 2.812 28.641 ( -2.248 -3.894 0.000) 4.497 30.978 ( 2.029 3.515 0.000) 4.059 32.874 ( -8.449 -14.634 0.000) 16.898 51.016 ( -0.870 -1.507 0.000) 1.740 52.091 ( 3.117 5.399 0.000) 6.234 52.959 ( -12.896 -22.336 0.000) 25.791 54.754 ( 0.982 1.702 0.000) 1.965 55.149 ( 8.345 14.455 0.000) 16.691 55.251 ( -1.777 -3.079 0.000) 3.555 ======================= Grid point 15 (9/126) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 17.811 16.705 1.901) 24.493 1.780 ( 12.777 21.535 2.289) 25.145 2.424 ( 16.058 16.587 -0.945) 23.106 3.783 ( 15.842 19.660 -1.574) 25.297 4.113 ( 0.257 3.323 1.852) 3.813 4.347 ( 27.923 28.188 -1.434) 39.703 6.483 ( -8.360 -6.198 0.089) 10.407 7.199 ( -7.323 0.210 -2.898) 7.878 7.551 ( 7.017 -10.801 1.224) 12.938 7.648 ( 5.481 3.069 0.478) 6.299 8.524 ( -8.344 7.686 3.582) 11.897 9.474 ( 6.594 0.780 -2.586) 7.126 11.759 ( 27.685 33.166 -0.005) 43.203 16.094 ( 5.776 5.366 0.031) 7.884 16.757 ( 18.509 21.754 -0.181) 28.563 21.385 ( 1.652 3.855 -1.584) 4.483 21.507 ( 17.266 13.255 3.185) 21.999 23.363 ( -20.432 -10.403 -0.872) 22.944 23.665 ( -15.863 -14.383 -2.654) 21.577 24.509 ( 1.748 -0.427 0.365) 1.836 24.542 ( 7.003 1.243 -1.434) 7.256 24.760 ( 3.907 3.064 0.959) 5.057 25.061 ( -7.227 -9.542 0.234) 11.972 25.676 ( -3.745 -2.867 -0.254) 4.724 26.660 ( -5.227 -7.427 0.697) 9.108 27.784 ( -4.089 -5.321 0.097) 6.712 27.866 ( -3.074 -2.706 -0.135) 4.097 28.549 ( -3.481 -4.331 -0.010) 5.557 31.061 ( 3.221 3.855 1.309) 5.192 32.521 ( -13.965 -16.414 -0.208) 21.552 50.980 ( -1.432 -1.631 0.111) 2.173 52.145 ( -9.366 5.062 -3.542) 11.220 52.582 ( 0.245 -19.189 5.485) 19.959 54.774 ( -0.787 2.013 0.003) 2.161 55.163 ( -5.520 -0.623 0.435) 5.572 55.446 ( 11.615 8.273 -2.330) 14.450 ======================= Grid point 16 (10/126) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 12.315 9.921 2.210) 15.968 2.159 ( 10.076 16.391 3.418) 19.542 2.763 ( 10.650 7.635 0.274) 13.107 4.120 ( 5.556 3.152 -0.902) 6.451 4.335 ( 15.429 22.533 -1.625) 27.357 5.102 ( 27.974 22.772 -0.952) 36.083 6.286 ( -9.526 -2.903 0.264) 9.962 7.065 ( -7.983 -1.002 -3.000) 8.587 7.571 ( 10.844 -15.165 1.464) 18.700 7.803 ( 8.015 5.135 0.621) 9.539 8.428 ( -14.042 12.291 1.953) 18.763 9.579 ( 6.494 -3.106 -1.083) 7.280 12.563 ( 27.320 30.811 -0.005) 41.179 16.297 ( 10.897 7.197 0.151) 13.060 17.324 ( 22.077 20.882 -0.473) 30.392 21.443 ( 1.634 2.476 -0.960) 3.118 21.927 ( 18.347 4.667 2.335) 19.075 22.891 ( -24.677 -1.655 0.551) 24.738 23.230 ( -19.287 -11.263 -3.312) 22.579 24.379 ( -7.933 -7.657 -0.314) 11.030 24.683 ( 2.923 0.604 -0.679) 3.061 24.873 ( -4.679 -5.452 0.610) 7.210 24.933 ( 10.502 2.368 -0.911) 10.804 25.587 ( -1.935 -2.549 -0.316) 3.216 26.503 ( -4.012 -7.711 1.127) 8.765 27.656 ( -4.475 -5.313 0.130) 6.948 27.773 ( -4.547 -2.606 -0.219) 5.246 28.446 ( -3.276 -4.275 -0.034) 5.386 31.150 ( 2.394 3.328 2.211) 4.658 32.111 ( -14.380 -15.332 -0.650) 21.031 50.939 ( -1.602 -1.186 0.151) 1.999 51.820 ( -21.856 -4.386 -1.589) 22.348 52.661 ( 17.330 -7.152 3.717) 19.113 54.761 ( -1.325 -1.683 -0.111) 2.145 55.057 ( -8.174 3.773 0.385) 9.011 55.694 ( 9.686 4.767 -2.342) 11.047 ======================= Grid point 17 (11/126) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 5.325 7.561 1.618) 9.388 2.439 ( 7.382 9.404 3.297) 12.401 2.957 ( 6.325 2.927 1.998) 7.251 4.257 ( 6.589 4.985 -2.844) 8.738 4.833 ( 15.739 21.235 -1.622) 26.481 5.690 ( 19.556 12.837 -0.433) 23.397 6.097 ( -10.791 -0.453 0.508) 10.813 6.901 ( -7.478 -5.498 -2.472) 9.605 7.636 ( 11.963 -11.036 0.920) 16.302 8.023 ( 10.296 6.993 0.686) 12.465 8.299 ( -14.708 12.162 0.383) 19.089 9.622 ( 3.571 -5.793 0.375) 6.816 13.237 ( 18.059 25.190 0.013) 30.995 16.601 ( 14.903 8.509 0.216) 17.162 17.879 ( 20.983 14.796 -0.733) 25.686 21.486 ( 0.860 1.669 -0.854) 2.062 22.033 ( -4.656 -12.960 -0.128) 13.771 22.679 ( -8.311 17.866 2.167) 19.824 22.834 ( -12.295 -7.950 -1.894) 14.763 24.124 ( -10.992 -8.486 -0.228) 13.889 24.680 ( -2.825 -1.034 0.291) 3.022 24.787 ( -2.178 -1.268 0.355) 2.545 25.041 ( 0.745 -0.619 -1.726) 1.979 25.631 ( 10.112 -2.776 -0.840) 10.520 26.380 ( -1.487 -7.469 1.320) 7.729 27.538 ( -3.669 -4.006 0.105) 5.434 27.667 ( -4.860 -2.178 -0.228) 5.331 28.360 ( -1.950 -3.920 -0.054) 4.378 31.177 ( -2.734 1.024 2.444) 3.808 31.784 ( -7.244 -10.686 -1.027) 12.950 50.907 ( -1.406 0.227 0.133) 1.431 51.430 ( -18.173 -3.619 -0.400) 18.534 52.917 ( 19.635 -7.055 2.047) 20.964 54.682 ( -3.038 -6.749 -0.129) 7.402 54.979 ( -8.804 10.363 0.243) 13.600 55.868 ( 6.772 2.102 -1.715) 7.295 ======================= Grid point 18 (12/126) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 0.683 6.309 0.842) 6.402 2.595 ( 3.395 3.897 1.850) 5.489 3.050 ( 3.142 0.201 1.992) 3.725 4.419 ( 5.206 5.082 -2.677) 7.752 5.268 ( 12.724 16.922 -1.203) 21.206 5.884 ( -12.301 0.535 0.482) 12.322 6.044 ( 9.432 6.063 0.703) 11.234 6.717 ( -4.981 -8.629 -1.802) 10.124 7.748 ( 8.802 -3.587 0.337) 9.510 8.136 ( -11.078 9.024 0.307) 14.291 8.299 ( 8.646 4.457 -0.123) 9.728 9.596 ( 1.132 -6.502 0.737) 6.641 13.653 ( 5.323 18.448 0.025) 19.200 16.922 ( 11.615 6.965 0.159) 13.544 18.288 ( 14.903 4.046 -0.641) 15.456 21.504 ( -0.244 1.238 -0.746) 1.466 21.750 ( -11.605 -5.813 0.151) 12.981 22.514 ( -13.909 4.740 -1.452) 14.766 22.906 ( 7.201 5.269 1.811) 9.105 23.889 ( -8.907 -2.577 -0.034) 9.272 24.582 ( -5.485 -1.899 0.366) 5.816 24.755 ( -1.150 0.097 0.076) 1.157 25.025 ( -0.677 -0.228 -0.941) 1.181 25.794 ( 12.107 -6.496 -1.084) 13.782 26.304 ( 0.769 -6.828 1.101) 6.959 27.460 ( -2.087 -1.701 0.052) 2.693 27.577 ( -3.186 -1.475 -0.149) 3.514 28.305 ( -0.214 -3.363 -0.043) 3.370 31.085 ( -6.190 -0.702 1.320) 6.368 31.664 ( 0.952 -5.398 -0.494) 5.503 50.902 ( -1.082 3.295 0.081) 3.469 51.147 ( -11.470 -1.777 -0.078) 11.607 53.156 ( 18.013 -11.699 0.975) 21.501 54.551 ( -4.036 -5.406 -0.086) 6.747 54.953 ( -7.908 12.583 0.090) 14.862 55.969 ( 3.807 0.058 -0.882) 3.908 ======================= Grid point 19 (13/126) ======================= q-point: ( 0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( -2.765 4.789 -0.000) 5.529 2.641 ( -0.431 0.746 -0.000) 0.861 3.077 ( 0.815 -1.412 0.000) 1.630 4.495 ( -1.047 1.814 0.000) 2.095 5.552 ( -0.845 1.464 0.000) 1.691 5.687 ( -6.948 12.035 -0.000) 13.897 6.167 ( -0.013 0.023 -0.000) 0.027 6.615 ( 3.458 -5.989 -0.000) 6.915 7.822 ( 1.200 -2.078 0.000) 2.400 8.062 ( -5.510 9.544 0.000) 11.021 8.415 ( 1.514 -2.622 -0.000) 3.027 9.566 ( 2.782 -4.819 0.000) 5.564 13.788 ( -6.793 11.766 0.000) 13.586 17.067 ( -0.427 0.740 0.000) 0.855 18.439 ( 3.667 -6.351 -0.000) 7.334 21.509 ( -0.813 1.408 0.000) 1.626 21.612 ( -1.654 2.864 -0.000) 3.307 22.417 ( -5.381 9.320 -0.000) 10.762 23.001 ( 0.276 -0.478 0.000) 0.552 23.796 ( -2.426 4.203 -0.000) 4.853 24.516 ( -0.365 0.633 -0.000) 0.731 24.746 ( -0.408 0.707 -0.000) 0.816 25.019 ( -0.032 0.056 0.000) 0.064 25.871 ( 6.409 -11.102 0.000) 12.819 26.275 ( 3.178 -5.504 -0.000) 6.355 27.434 ( -0.163 0.282 0.000) 0.326 27.540 ( 0.045 -0.078 0.000) 0.090 28.287 ( 1.483 -2.568 -0.000) 2.965 31.020 ( -1.219 2.111 -0.000) 2.437 31.653 ( 2.423 -4.197 0.000) 4.846 50.924 ( -3.841 6.652 -0.000) 7.681 51.024 ( -0.119 0.206 0.000) 0.238 53.260 ( 10.610 -18.376 0.000) 21.219 54.482 ( 0.371 -0.642 0.000) 0.742 54.949 ( -7.440 12.887 -0.000) 14.880 56.001 ( 0.957 -1.658 -0.000) 1.915 ======================= Grid point 29 (14/126) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 9.183 15.905 0.000) 18.366 2.167 ( 9.865 17.087 0.000) 19.730 2.701 ( 6.677 11.565 0.000) 13.354 4.083 ( 3.878 6.716 0.000) 7.755 4.331 ( 13.202 22.867 0.000) 26.404 4.960 ( 18.137 31.414 0.000) 36.274 6.366 ( -3.277 -5.676 0.000) 6.555 7.224 ( 0.392 0.680 0.000) 0.785 7.292 ( -6.871 -11.902 0.000) 13.743 7.758 ( 4.290 7.430 0.000) 8.580 8.648 ( 1.967 3.406 0.000) 3.933 9.476 ( -0.098 -0.169 0.000) 0.195 12.482 ( 22.272 38.576 0.000) 44.543 16.235 ( 5.298 9.177 0.000) 10.596 17.237 ( 14.935 25.868 0.000) 29.869 21.444 ( 1.522 2.635 0.000) 3.043 21.782 ( 7.469 12.937 0.000) 14.939 23.093 ( -9.327 -16.155 0.000) 18.654 23.398 ( -7.355 -12.739 0.000) 14.709 24.414 ( -4.997 -8.655 0.000) 9.993 24.618 ( 2.863 4.958 0.000) 5.725 24.837 ( 2.834 4.908 0.000) 5.667 24.888 ( -3.891 -6.740 0.000) 7.782 25.604 ( -2.617 -4.532 0.000) 5.234 26.493 ( -5.200 -9.006 0.000) 10.399 27.667 ( -3.593 -6.224 0.000) 7.187 27.802 ( -2.191 -3.795 0.000) 4.382 28.452 ( -3.029 -5.247 0.000) 6.059 31.146 ( 2.571 4.453 0.000) 5.142 32.159 ( -11.254 -19.493 0.000) 22.509 50.947 ( -0.901 -1.561 0.000) 1.803 52.129 ( -10.349 -17.925 0.000) 20.699 52.327 ( 3.040 5.266 0.000) 6.080 54.768 ( -1.614 -2.795 0.000) 3.227 55.168 ( 0.593 1.027 0.000) 1.186 55.616 ( 4.979 8.624 0.000) 9.958 ======================= Grid point 30 (15/126) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 7.320 11.004 0.736) 13.237 2.442 ( 5.577 11.803 1.456) 13.135 2.885 ( 5.614 4.661 0.678) 7.328 4.210 ( 5.217 6.386 -1.118) 8.322 4.824 ( 13.777 25.465 -0.585) 28.959 5.519 ( 17.097 18.860 -0.297) 25.458 6.259 ( -6.247 0.251 0.257) 6.258 6.995 ( -11.240 -8.747 -1.774) 14.353 7.340 ( 11.104 -4.478 1.045) 12.019 7.936 ( 7.486 7.853 0.349) 10.855 8.638 ( -9.378 7.932 0.305) 12.286 9.474 ( 3.814 -6.933 -0.013) 7.913 13.215 ( 19.724 34.038 0.000) 39.340 16.465 ( 10.627 10.181 0.111) 14.717 17.729 ( 15.404 18.730 -0.301) 24.253 21.491 ( 0.983 2.259 -0.514) 2.517 21.950 ( 3.176 -1.192 0.279) 3.404 22.819 ( -6.425 -7.190 0.926) 9.687 23.154 ( -15.302 3.456 -1.074) 15.725 24.198 ( -8.132 -9.476 0.007) 12.487 24.686 ( 1.359 -0.146 -0.406) 1.426 24.807 ( -1.522 -1.340 0.604) 2.115 24.950 ( 6.714 -0.324 -0.871) 6.778 25.512 ( -1.349 -5.197 -0.197) 5.373 26.324 ( -3.195 -9.928 0.556) 10.445 27.552 ( -3.181 -4.901 0.015) 5.843 27.717 ( -3.594 -3.107 -0.060) 4.751 28.351 ( -2.559 -5.255 -0.022) 5.845 31.221 ( 0.694 3.705 1.131) 3.936 31.792 ( -9.574 -16.412 -0.521) 19.008 50.925 ( -0.540 -0.037 0.053) 0.544 51.739 ( -19.323 -4.550 -0.543) 19.858 52.502 ( 15.909 -7.677 1.208) 17.706 54.678 ( -3.375 -5.693 -0.046) 6.618 55.194 ( -3.318 8.421 0.394) 9.059 55.773 ( 6.228 3.307 -0.987) 7.121 ======================= Grid point 31 (16/126) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 3.042 9.229 0.635) 9.738 2.595 ( 2.234 6.122 1.358) 6.657 2.988 ( 3.891 0.209 1.606) 4.214 4.385 ( 6.054 7.855 -2.092) 10.135 5.261 ( 10.287 20.117 -0.575) 22.602 5.897 ( 11.337 8.416 0.145) 14.120 6.157 ( -9.823 7.232 0.453) 12.206 6.728 ( -7.935 -11.503 -1.549) 14.060 7.522 ( 12.950 -1.695 0.275) 13.064 8.149 ( 8.673 5.809 0.560) 10.453 8.506 ( -14.534 8.484 -0.248) 16.831 9.462 ( 4.355 -9.718 0.545) 10.663 13.775 ( 8.952 28.230 0.008) 29.615 16.783 ( 13.536 10.270 0.203) 16.992 18.090 ( 12.147 5.302 -0.525) 13.265 21.521 ( 0.194 1.802 -0.788) 1.976 21.861 ( -7.192 -5.137 0.309) 8.843 22.736 ( -1.850 -0.989 -0.915) 2.288 22.989 ( -11.667 12.678 1.129) 17.266 24.002 ( -6.832 -2.644 0.114) 7.326 24.652 ( -4.010 -1.949 -0.199) 4.462 24.781 ( -1.486 0.592 0.952) 1.862 25.015 ( 2.248 -2.078 -1.535) 3.425 25.497 ( 8.690 -10.433 -0.450) 13.585 26.199 ( 0.421 -10.416 0.762) 10.453 27.472 ( -1.758 -2.396 -0.027) 2.972 27.624 ( -3.996 -2.215 -0.036) 4.569 28.269 ( -0.846 -5.139 -0.034) 5.209 31.201 ( -6.416 1.368 1.448) 6.718 31.570 ( 0.252 -10.534 -0.813) 10.568 50.935 ( 0.477 2.605 0.055) 2.649 51.404 ( -17.531 0.987 -0.175) 17.559 52.688 ( 18.435 -15.138 0.778) 23.866 54.561 ( -3.448 -5.317 -0.045) 6.337 55.216 ( -6.266 12.621 0.364) 14.095 55.887 ( 5.214 -0.201 -0.899) 5.295 ======================= Grid point 32 (17/126) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( -1.949 8.373 0.232) 8.600 2.653 ( 0.319 2.049 0.482) 2.129 3.030 ( 2.409 -2.286 0.867) 3.433 4.529 ( 1.585 5.873 -1.085) 6.179 5.545 ( 5.005 8.640 -0.269) 9.989 6.024 ( -10.497 14.433 0.328) 17.849 6.137 ( 2.783 3.939 0.469) 4.846 6.523 ( -2.579 -9.493 -0.963) 9.885 7.705 ( 9.526 -3.589 -0.020) 10.180 8.290 ( -2.404 6.647 0.907) 7.126 8.371 ( -4.777 3.879 -0.837) 6.210 9.438 ( 4.097 -8.987 0.353) 9.883 14.062 ( -4.283 21.847 0.007) 22.262 17.057 ( 5.850 7.134 0.129) 9.227 18.245 ( 8.540 -8.355 -0.304) 11.952 21.536 ( -0.392 1.664 -0.628) 1.821 21.707 ( -6.115 0.756 0.492) 6.181 22.683 ( -9.786 12.693 -0.978) 16.057 22.988 ( -0.053 2.780 1.020) 2.962 23.921 ( -5.036 5.827 0.099) 7.703 24.548 ( -3.815 -1.787 0.001) 4.212 24.768 ( -1.059 1.239 0.350) 1.667 25.019 ( 0.224 -0.465 -0.634) 0.818 25.555 ( 12.349 -17.084 -0.324) 21.083 26.135 ( 3.736 -9.819 0.386) 10.513 27.444 ( -0.505 0.151 -0.037) 0.528 27.551 ( -2.045 -1.111 0.006) 2.327 28.224 ( 1.322 -4.599 -0.017) 4.785 31.096 ( -5.247 1.839 0.471) 5.580 31.540 ( 4.100 -7.015 -0.213) 8.128 50.997 ( 2.397 4.662 0.032) 5.243 51.168 ( -13.441 5.404 -0.041) 14.487 52.810 ( 16.498 -21.763 0.261) 27.311 54.476 ( -1.361 -2.513 -0.017) 2.858 55.228 ( -7.874 14.236 0.137) 16.269 55.945 ( 3.132 -2.454 -0.340) 3.993 ======================= Grid point 43 (18/126) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 5.535 9.587 0.000) 11.070 2.616 ( 3.366 5.830 0.000) 6.731 2.949 ( 1.091 1.890 0.000) 2.183 4.371 ( 5.478 9.489 0.000) 10.957 5.279 ( 11.140 19.294 0.000) 22.279 5.832 ( 7.403 12.823 0.000) 14.807 6.302 ( 2.465 4.270 0.000) 4.930 6.745 ( -8.142 -14.102 0.000) 16.283 7.373 ( 2.967 5.138 0.000) 5.933 8.101 ( 4.974 8.616 0.000) 9.949 8.714 ( -0.437 -0.758 0.000) 0.875 9.341 ( -3.198 -5.539 0.000) 6.396 13.848 ( 16.554 28.673 0.000) 33.108 16.709 ( 8.426 14.595 0.000) 16.853 18.009 ( 5.005 8.669 0.000) 10.010 21.529 ( 0.897 1.553 0.000) 1.793 21.896 ( -2.508 -4.344 0.000) 5.016 22.725 ( -0.232 -0.403 0.000) 0.465 23.217 ( 0.474 0.822 0.000) 0.949 24.055 ( -2.443 -4.232 0.000) 4.886 24.671 ( -1.173 -2.031 0.000) 2.346 24.807 ( 0.562 0.974 0.000) 1.125 24.933 ( -0.506 -0.877 0.000) 1.013 25.387 ( -4.153 -7.193 0.000) 8.305 26.133 ( -5.107 -8.845 0.000) 10.214 27.475 ( -1.545 -2.677 0.000) 3.091 27.650 ( -2.096 -3.631 0.000) 4.193 28.248 ( -2.824 -4.891 0.000) 5.648 31.285 ( 1.211 2.098 0.000) 2.423 31.494 ( -7.280 -12.609 0.000) 14.559 50.943 ( 1.122 1.943 0.000) 2.244 51.623 ( -4.181 -7.241 0.000) 8.361 52.390 ( -1.972 -3.416 0.000) 3.945 54.564 ( -3.153 -5.461 0.000) 6.306 55.349 ( 3.927 6.801 0.000) 7.854 55.827 ( 1.280 2.218 0.000) 2.561 ======================= Grid point 44 (19/126) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 2.700 8.600 0.221) 9.017 2.682 ( -0.371 3.088 0.038) 3.110 2.965 ( 1.492 -2.564 0.634) 3.034 4.552 ( 4.080 8.399 -0.649) 9.360 5.553 ( 4.607 9.043 -0.074) 10.150 6.035 ( 6.273 5.684 0.502) 8.480 6.384 ( -6.303 9.220 -0.393) 11.176 6.518 ( -3.932 -2.395 -0.244) 4.611 7.481 ( 8.208 -4.686 -0.064) 9.452 8.266 ( 5.349 6.578 0.315) 8.484 8.618 ( -10.278 2.316 -0.295) 10.540 9.274 ( 3.049 -8.330 0.269) 8.874 14.295 ( 5.010 22.903 -0.000) 23.445 17.023 ( 9.943 14.386 0.120) 17.488 18.059 ( 1.628 -8.437 -0.211) 8.595 21.552 ( 0.224 1.257 -0.343) 1.322 21.797 ( -4.268 -2.004 0.260) 4.722 22.810 ( 4.635 8.280 -0.405) 9.497 23.166 ( -9.655 5.118 0.384) 10.935 24.041 ( -0.902 6.337 0.221) 6.405 24.589 ( -4.098 -4.790 -0.294) 6.311 24.812 ( -2.328 2.535 1.253) 3.663 24.954 ( 6.075 -4.158 -1.503) 7.514 25.250 ( 0.718 -13.402 0.088) 13.422 25.994 ( -0.149 -9.551 0.215) 9.554 27.450 ( -0.027 0.165 -0.040) 0.172 27.578 ( -2.617 -2.427 0.025) 3.569 28.168 ( -0.693 -4.700 -0.011) 4.750 31.228 ( -8.128 1.129 0.597) 8.228 31.386 ( 5.041 -7.676 -0.455) 9.195 50.998 ( 1.891 3.222 0.012) 3.736 51.473 ( -11.749 6.244 -0.061) 13.306 52.356 ( 9.626 -17.760 0.176) 20.202 54.476 ( -1.880 -3.278 -0.007) 3.778 55.452 ( -2.212 10.886 0.190) 11.110 55.861 ( 2.780 -2.455 -0.292) 3.721 ======================= Grid point 45 (20/126) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( -4.448 7.704 -0.000) 8.895 2.680 ( -0.525 0.910 -0.000) 1.050 2.962 ( 2.535 -4.391 0.000) 5.070 4.635 ( -2.534 4.389 0.000) 5.068 5.633 ( -1.206 2.088 -0.000) 2.412 6.152 ( 0.245 -0.425 -0.000) 0.491 6.281 ( 0.029 -0.051 -0.000) 0.058 6.537 ( -10.537 18.250 -0.000) 21.073 7.532 ( 7.954 -13.776 0.000) 15.907 8.387 ( -1.769 3.064 -0.000) 3.538 8.489 ( -4.320 7.483 0.000) 8.641 9.262 ( 4.721 -8.177 0.000) 9.442 14.452 ( -9.151 15.850 -0.000) 18.302 17.216 ( -5.154 8.927 -0.000) 10.308 17.996 ( 8.628 -14.944 0.000) 17.255 21.560 ( -0.474 0.821 0.000) 0.948 21.745 ( -1.272 2.203 -0.000) 2.544 22.982 ( -8.024 13.897 0.000) 16.047 23.022 ( -1.491 2.582 -0.000) 2.981 24.088 ( -5.607 9.711 -0.000) 11.214 24.504 ( 1.601 -2.773 0.000) 3.201 24.801 ( -1.174 2.033 -0.000) 2.347 25.004 ( 0.805 -1.395 0.000) 1.611 25.178 ( 10.698 -18.529 -0.000) 21.396 25.946 ( 4.786 -8.289 -0.000) 9.571 27.460 ( -0.646 1.118 -0.000) 1.291 27.534 ( 0.326 -0.564 0.000) 0.652 28.138 ( 2.110 -3.655 -0.000) 4.220 31.156 ( -2.373 4.111 -0.000) 4.747 31.398 ( 4.091 -7.085 0.000) 8.181 51.040 ( -0.334 0.578 0.000) 0.667 51.391 ( -9.059 15.690 -0.000) 18.117 52.353 ( 13.420 -23.244 0.000) 26.840 54.443 ( 0.605 -1.048 0.000) 1.211 55.486 ( -6.621 11.468 -0.000) 13.242 55.872 ( 2.775 -4.807 -0.000) 5.551 ======================= Grid point 58 (21/126) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( 1.338 2.318 0.000) 2.677 2.751 ( 2.837 4.913 0.000) 5.673 2.892 ( -2.492 -4.315 0.000) 4.983 4.682 ( 2.228 3.859 0.000) 4.456 5.653 ( 1.219 2.111 0.000) 2.437 6.131 ( 2.628 4.551 0.000) 5.255 6.265 ( -4.431 -7.675 0.000) 8.863 6.841 ( 10.874 18.834 0.000) 21.747 7.300 ( -7.221 -12.508 0.000) 14.443 8.417 ( 4.698 8.137 0.000) 9.395 8.584 ( -3.042 -5.269 0.000) 6.084 9.165 ( -1.454 -2.518 0.000) 2.907 14.620 ( 5.102 8.836 0.000) 10.203 17.346 ( 9.867 17.089 0.000) 19.733 17.794 ( -9.319 -16.140 0.000) 18.637 21.568 ( 0.245 0.424 0.000) 0.490 21.770 ( -0.426 -0.739 0.000) 0.853 23.017 ( 6.212 10.759 0.000) 12.423 23.182 ( -2.114 -3.661 0.000) 4.227 24.217 ( 5.697 9.868 0.000) 11.394 24.458 ( -4.620 -8.002 0.000) 9.239 24.850 ( -1.263 -2.187 0.000) 2.525 24.897 ( 1.824 3.160 0.000) 3.649 25.024 ( -5.032 -8.716 0.000) 10.065 25.855 ( -2.267 -3.927 0.000) 4.535 27.473 ( 1.102 1.909 0.000) 2.204 27.529 ( -1.408 -2.438 0.000) 2.815 28.099 ( -1.139 -1.972 0.000) 2.278 31.236 ( -0.242 -0.419 0.000) 0.484 31.288 ( -1.131 -1.959 0.000) 2.262 51.044 ( 0.719 1.245 0.000) 1.437 51.647 ( 5.856 10.142 0.000) 11.711 52.023 ( -8.288 -14.356 0.000) 16.577 54.432 ( -0.635 -1.100 0.000) 1.270 55.633 ( 4.071 7.052 0.000) 8.143 55.792 ( -2.375 -4.114 0.000) 4.751 ======================= Grid point 181 (22/126) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 0.000 -0.000 31.411) 31.411 0.666 ( 0.000 0.000 31.411) 31.411 1.119 ( 0.000 0.000 52.931) 52.931 2.994 ( 0.000 -0.000 -6.708) 6.708 2.994 ( 0.000 0.000 -6.708) 6.708 5.065 ( 0.000 0.000 -13.893) 13.893 6.996 ( 0.000 -0.000 0.039) 0.039 6.996 ( 0.000 0.000 0.039) 0.039 7.380 ( 0.000 -0.000 -0.264) 0.264 7.380 ( 0.000 0.000 -0.264) 0.264 7.528 ( 0.000 -0.000 2.204) 2.204 9.623 ( 0.000 -0.000 0.423) 0.423 10.384 ( 0.000 0.000 0.845) 0.845 15.825 ( 0.000 -0.000 -7.839) 7.839 15.825 ( -0.000 0.000 -7.839) 7.839 20.764 ( 0.000 -0.000 1.831) 1.831 20.764 ( 0.000 0.000 1.831) 1.831 21.298 ( 0.000 0.000 0.007) 0.007 24.359 ( -0.000 -0.000 -1.319) 1.319 24.359 ( -0.000 0.000 -1.319) 1.319 24.565 ( 0.000 -0.000 1.350) 1.350 24.565 ( 0.000 0.000 1.350) 1.350 25.443 ( 0.000 -0.000 0.409) 0.409 25.443 ( 0.000 0.000 0.409) 0.409 26.979 ( 0.000 0.000 -0.224) 0.224 27.966 ( 0.000 -0.000 -1.184) 1.184 27.966 ( 0.000 0.000 -1.184) 1.184 28.693 ( -0.000 -0.000 -2.799) 2.799 33.180 ( 0.000 0.000 -0.143) 0.143 33.871 ( 0.000 0.000 -0.080) 0.080 51.076 ( 0.000 -0.000 2.560) 2.560 51.076 ( 0.000 0.000 2.560) 2.560 54.084 ( 0.000 0.000 0.507) 0.507 54.704 ( 0.000 -0.000 -1.046) 1.046 54.704 ( 0.000 0.000 -1.046) 1.046 55.313 ( 0.000 0.000 -0.457) 0.457 ======================= Grid point 182 (23/126) ======================= q-point: ( 0.08 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 22.047 12.729 20.567) 32.728 1.047 ( 23.836 13.762 21.073) 34.665 1.497 ( 29.816 17.214 33.645) 48.138 3.072 ( 8.351 4.821 -7.557) 12.251 3.254 ( 19.318 11.153 -6.273) 23.172 4.431 ( -21.119 -12.193 11.172) 26.823 6.853 ( -9.891 -5.710 0.109) 11.421 7.240 ( -3.191 -1.842 -5.588) 6.694 7.496 ( 7.658 4.422 -0.300) 8.848 7.538 ( 1.293 0.746 1.726) 2.282 8.097 ( 42.170 24.347 -27.225) 55.787 9.313 ( -18.250 -10.537 3.407) 21.347 10.618 ( 19.926 11.504 0.814) 23.023 15.849 ( 2.303 1.330 -7.617) 8.067 15.964 ( 11.697 6.754 -7.421) 15.412 20.919 ( 11.674 6.740 2.317) 13.677 21.317 ( 1.837 1.061 0.249) 2.136 22.196 ( 71.355 41.197 -68.795) 107.337 24.201 ( -11.166 -6.446 -1.797) 13.018 24.295 ( -5.971 -3.447 -0.522) 6.914 24.577 ( -0.051 -0.029 0.982) 0.984 24.591 ( 2.580 1.490 -0.606) 3.040 25.387 ( -5.011 -2.893 0.458) 5.804 25.477 ( 2.313 1.335 -4.476) 5.212 26.926 ( -4.386 -2.532 0.168) 5.068 27.938 ( -2.493 -1.439 -1.106) 3.083 27.947 ( -1.608 -0.928 -1.244) 2.235 28.662 ( -2.631 -1.519 -2.864) 4.175 32.678 ( -58.896 -34.004 63.265) 92.884 33.082 ( -10.215 -5.898 1.650) 11.910 51.067 ( -0.868 -0.501 2.623) 2.808 51.524 ( 22.941 13.245 -18.234) 32.159 53.577 ( -27.424 -15.833 7.200) 32.475 54.707 ( 0.365 0.211 -1.101) 1.179 54.963 ( 13.193 7.617 3.537) 15.639 55.288 ( -2.100 -1.212 -0.492) 2.474 ======================= Grid point 183 (24/126) ======================= q-point: ( 0.15 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 21.811 12.592 14.765) 29.194 1.570 ( 20.317 11.730 12.656) 26.656 2.174 ( 25.323 14.620 13.328) 32.135 3.375 ( 18.022 10.405 -6.912) 21.928 3.847 ( 31.927 18.433 -2.791) 36.972 4.184 ( -3.819 -2.205 4.498) 6.299 6.612 ( -10.695 -6.175 0.301) 12.353 7.143 ( -4.612 -2.663 -3.453) 6.347 7.586 ( 3.063 1.768 1.163) 3.723 7.668 ( 6.967 4.023 -0.334) 8.052 8.613 ( -0.621 -0.359 4.828) 4.881 9.115 ( 7.605 4.391 -19.761) 21.624 11.239 ( 33.091 19.105 0.710) 38.217 15.936 ( 5.455 3.149 -6.949) 9.379 16.340 ( 20.807 12.013 -6.844) 24.982 21.231 ( 11.818 6.823 -0.290) 13.650 21.419 ( 10.225 5.903 2.759) 12.125 23.129 ( 10.962 6.329 -35.025) 37.242 23.869 ( -17.591 -10.156 -1.657) 20.380 24.255 ( 7.224 4.170 -10.812) 13.656 24.558 ( -1.801 -1.040 0.524) 2.144 24.660 ( 3.310 1.911 -1.829) 4.237 25.223 ( -9.077 -5.240 0.390) 10.488 25.506 ( -0.298 -0.172 -8.909) 8.915 26.795 ( -6.791 -3.921 0.289) 7.847 27.856 ( -4.570 -2.638 -1.011) 5.373 27.893 ( -3.172 -1.831 -1.317) 3.892 28.580 ( -4.352 -2.513 -3.121) 5.916 31.789 ( -22.155 -12.791 51.143) 57.184 32.778 ( -16.452 -9.499 -0.050) 18.997 51.038 ( -1.624 -0.938 2.659) 3.254 51.884 ( 8.797 5.079 -11.337) 15.222 53.032 ( -19.162 -11.063 4.696) 22.619 54.719 ( 0.721 0.416 -1.127) 1.401 55.191 ( -1.723 -0.995 0.978) 2.217 55.286 ( 10.290 5.941 1.790) 12.016 ======================= Grid point 184 (25/126) ======================= q-point: ( 0.23 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 12.713 7.340 7.450) 16.462 2.000 ( 19.786 11.423 9.868) 24.887 2.617 ( 14.604 8.432 3.800) 17.286 3.863 ( 23.857 13.774 -5.143) 28.024 4.135 ( 0.931 0.538 0.842) 1.366 4.669 ( 35.807 20.673 2.294) 41.410 6.379 ( -9.725 -5.615 0.495) 11.241 7.040 ( -4.392 -2.536 -2.024) 5.461 7.684 ( 5.756 3.323 0.393) 6.658 7.804 ( 4.911 2.836 -0.305) 5.679 8.392 ( -12.150 -7.015 4.036) 14.598 9.409 ( 12.368 7.141 -12.013) 18.662 12.048 ( 36.223 20.913 0.481) 41.829 16.107 ( 9.769 5.640 -6.083) 12.816 16.882 ( 26.108 15.073 -6.391) 30.816 21.369 ( 3.462 1.999 -1.411) 4.239 21.826 ( 21.344 12.323 3.005) 24.828 22.951 ( -19.029 -10.987 -6.396) 22.885 23.429 ( -20.179 -11.650 -1.075) 23.325 24.480 ( -5.572 -3.217 0.303) 6.441 24.565 ( 13.321 7.691 -10.189) 18.450 24.759 ( 7.035 4.062 -4.796) 9.433 25.001 ( -9.475 -5.470 0.275) 10.944 25.461 ( -3.040 -1.755 -9.936) 10.538 26.636 ( -6.776 -3.912 0.081) 7.825 27.737 ( -5.695 -3.288 -0.921) 6.641 27.804 ( -4.580 -2.645 -1.472) 5.490 28.474 ( -4.674 -2.699 -3.458) 6.410 31.489 ( -7.081 -4.088 28.980) 30.112 32.363 ( -19.059 -11.003 -0.552) 22.014 50.996 ( -2.004 -1.157 2.665) 3.529 51.880 ( -9.618 -5.553 -2.375) 11.357 52.807 ( 0.687 0.397 1.202) 1.440 54.738 ( 0.905 0.522 -1.122) 1.533 55.073 ( -6.800 -3.926 0.016) 7.852 55.552 ( 10.914 6.301 0.582) 12.616 ======================= Grid point 185 (26/126) ======================= q-point: ( 0.31 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 7.153 4.130 4.211) 9.271 2.386 ( 13.465 7.774 7.568) 17.292 2.881 ( 9.175 5.297 -0.944) 10.636 4.195 ( 4.427 2.556 3.090) 5.973 4.416 ( 23.975 13.842 -3.481) 27.902 5.410 ( 27.873 16.093 1.959) 32.245 6.167 ( -9.006 -5.199 0.625) 10.418 6.939 ( -4.628 -2.672 -0.429) 5.361 7.852 ( 8.434 4.869 -0.323) 9.744 7.892 ( 2.849 1.645 -0.232) 3.298 8.150 ( -7.965 -4.598 0.852) 9.236 9.614 ( 5.477 3.162 -4.591) 7.815 12.815 ( 29.704 17.150 0.051) 34.300 16.383 ( 14.243 8.223 -5.230) 17.257 17.491 ( 26.431 15.260 -6.081) 31.120 21.436 ( 2.401 1.386 -1.004) 2.949 22.285 ( 17.081 9.862 0.731) 19.737 22.453 ( -22.606 -13.052 1.419) 26.142 22.999 ( -15.963 -9.216 0.420) 18.437 24.281 ( -11.709 -6.760 0.214) 13.522 24.697 ( 0.610 0.352 -0.482) 0.854 24.834 ( -4.800 -2.771 0.274) 5.550 24.967 ( 5.661 3.268 -4.988) 8.223 25.447 ( 4.510 2.604 -12.720) 13.745 26.501 ( -4.933 -2.848 -0.017) 5.696 27.607 ( -5.544 -3.201 -0.866) 6.460 27.690 ( -5.124 -2.958 -1.798) 6.183 28.377 ( -3.754 -2.168 -3.698) 5.698 31.372 ( -4.865 -2.809 15.041) 16.056 31.963 ( -14.653 -8.460 -0.344) 16.923 50.950 ( -1.921 -1.109 2.642) 3.449 51.561 ( -15.525 -8.963 1.102) 17.961 52.973 ( 11.242 6.490 0.792) 13.005 54.759 ( 0.879 0.507 -1.089) 1.488 54.893 ( -8.796 -5.078 -0.001) 10.157 55.767 ( 7.890 4.555 -0.789) 9.145 ======================= Grid point 186 (27/126) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 3.392 1.958 2.275) 4.530 2.601 ( 5.644 3.259 5.110) 8.281 3.042 ( 4.795 2.768 -1.151) 5.655 4.332 ( 7.224 4.171 3.846) 9.185 4.929 ( 20.715 11.960 -2.233) 24.023 5.910 ( 16.055 9.270 1.602) 18.608 5.958 ( -9.658 -5.576 0.641) 11.170 6.826 ( -5.148 -2.972 1.502) 6.131 7.914 ( -3.517 -2.030 -0.086) 4.061 7.938 ( 1.302 0.752 -0.154) 1.511 8.180 ( 10.386 5.997 -0.707) 12.014 9.666 ( -0.550 -0.318 -1.440) 1.574 13.360 ( 17.798 10.275 -0.522) 20.557 16.724 ( 14.521 8.384 -4.554) 17.375 18.041 ( 20.773 11.993 -5.935) 24.710 21.477 ( 1.194 0.689 -0.429) 1.444 21.985 ( -17.389 -10.040 5.302) 20.768 22.448 ( -4.324 -2.496 -1.988) 5.374 22.857 ( 5.115 2.953 2.218) 6.309 23.995 ( -12.046 -6.955 0.195) 13.911 24.638 ( -5.182 -2.992 0.095) 5.985 24.768 ( -1.542 -0.890 0.518) 1.854 24.998 ( -0.085 -0.049 -2.019) 2.021 25.647 ( 9.983 5.763 -12.259) 16.827 26.411 ( -3.036 -1.753 0.204) 3.512 27.495 ( -4.058 -2.343 -0.872) 4.766 27.583 ( -3.995 -2.306 -2.237) 5.127 28.308 ( -2.271 -1.311 -3.795) 4.613 31.217 ( -8.417 -4.860 6.122) 11.487 31.748 ( -4.439 -2.563 0.956) 5.214 50.912 ( -1.398 -0.807 2.597) 3.058 51.247 ( -11.247 -6.494 1.966) 13.135 53.246 ( 11.725 6.770 1.445) 13.616 54.684 ( -9.188 -5.304 -0.115) 10.610 54.777 ( 0.655 0.378 -1.035) 1.282 55.911 ( 4.840 2.795 -1.375) 5.756 ======================= Grid point 187 (28/126) ======================= q-point: ( 0.46 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 0.477 0.275 1.092) 1.223 2.663 ( 0.220 0.127 2.500) 2.513 3.095 ( -0.043 -0.025 -0.364) 0.368 4.489 ( 5.591 3.228 4.580) 7.916 5.352 ( 16.427 9.484 -1.270) 19.010 5.714 ( -12.016 -6.937 0.522) 13.885 6.149 ( 4.874 2.814 0.922) 5.703 6.733 ( -1.904 -1.099 3.641) 4.253 7.848 ( -1.659 -0.958 -0.207) 1.927 7.956 ( 0.345 0.199 -0.109) 0.413 8.399 ( 6.295 3.634 -0.734) 7.306 9.621 ( -2.353 -1.358 -0.908) 2.864 13.625 ( 5.650 3.262 -0.955) 6.594 16.977 ( 6.343 3.662 -4.223) 8.455 18.387 ( 8.578 4.953 -5.776) 11.466 21.494 ( 0.460 0.265 0.288) 0.604 21.704 ( -6.558 -3.786 7.482) 10.645 22.332 ( -2.848 -1.644 -0.649) 3.352 22.987 ( 3.085 1.781 -0.123) 3.564 23.788 ( -5.182 -2.992 0.277) 5.990 24.523 ( -3.485 -2.012 -0.541) 4.060 24.750 ( -0.197 -0.113 0.868) 0.897 25.006 ( 0.622 0.359 -0.937) 1.181 25.823 ( 4.799 2.771 -11.167) 12.467 26.357 ( -1.767 -1.020 0.535) 2.109 27.430 ( -1.554 -0.897 -0.934) 2.023 27.520 ( -1.347 -0.778 -2.500) 2.945 28.274 ( -0.723 -0.417 -3.815) 3.905 31.054 ( -4.668 -2.695 2.565) 5.969 31.705 ( -0.342 -0.197 0.839) 0.927 50.889 ( -0.558 -0.322 2.539) 2.619 51.070 ( -4.005 -2.312 2.232) 5.135 53.455 ( 5.162 2.980 1.638) 6.182 54.511 ( -4.707 -2.717 -0.315) 5.444 54.788 ( 0.287 0.166 -0.972) 1.027 55.989 ( 2.073 1.197 -1.325) 2.736 ======================= Grid point 188 (29/126) ======================= q-point: (-0.46 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( -2.170 -1.253 0.421) 2.541 2.621 ( -3.869 -2.234 0.888) 4.555 3.053 ( -3.363 -1.942 -1.611) 4.205 4.549 ( -0.798 -0.461 6.567) 6.631 5.401 ( -15.670 -9.047 0.383) 18.098 5.681 ( 12.586 7.267 -0.608) 14.546 6.134 ( -5.612 -3.240 0.644) 6.512 6.771 ( 4.788 2.764 4.707) 7.261 7.840 ( 0.821 0.474 -0.501) 1.072 7.956 ( -0.347 -0.200 -0.111) 0.415 8.400 ( -6.379 -3.683 -0.731) 7.402 9.602 ( 0.984 0.568 -1.552) 1.924 13.624 ( -5.705 -3.294 -0.982) 6.661 16.975 ( -6.539 -3.775 -4.299) 8.689 18.400 ( -7.480 -4.318 -5.339) 10.154 21.503 ( 0.322 0.186 0.615) 0.719 21.709 ( 7.149 4.127 7.832) 11.379 22.355 ( 4.780 2.760 0.152) 5.521 22.955 ( -5.849 -3.377 -1.237) 6.866 23.788 ( 5.316 3.069 0.288) 6.145 24.513 ( 2.567 1.482 -0.966) 3.117 24.754 ( 0.511 0.295 1.011) 1.171 25.021 ( 0.795 0.459 -0.310) 0.969 25.844 ( -3.255 -1.879 -11.134) 11.751 26.336 ( 0.107 0.062 0.289) 0.314 27.427 ( 1.345 0.776 -1.020) 1.858 27.525 ( 1.761 1.017 -2.316) 3.082 28.274 ( 0.776 0.448 -3.819) 3.922 31.029 ( 2.435 1.406 1.769) 3.322 31.713 ( 1.087 0.627 1.106) 1.673 50.887 ( 0.405 0.234 2.476) 2.520 51.071 ( 4.098 2.366 2.256) 5.242 53.431 ( -7.166 -4.137 0.832) 8.316 54.515 ( 4.914 2.837 -0.199) 5.677 54.790 ( -0.142 -0.082 -0.913) 0.927 56.007 ( -0.548 -0.316 -0.729) 0.965 ======================= Grid point 189 (30/126) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( -5.016 -2.896 0.275) 5.799 2.481 ( -8.634 -4.985 0.474) 9.981 2.956 ( -4.929 -2.845 -3.589) 6.728 4.456 ( -6.827 -3.942 8.039) 11.259 4.997 ( -19.760 -11.408 0.126) 22.817 5.910 ( -14.417 -8.324 1.774) 16.742 5.937 ( 10.127 5.847 -0.084) 11.694 6.907 ( 6.331 3.655 4.132) 8.397 7.874 ( 1.471 0.849 -1.540) 2.293 7.938 ( -1.280 -0.739 -0.148) 1.486 8.173 ( -10.952 -6.323 -1.018) 12.687 9.638 ( 1.205 0.696 -2.420) 2.791 13.359 ( -17.770 -10.259 -0.559) 20.526 16.717 ( -14.671 -8.471 -4.777) 17.602 18.070 ( -20.556 -11.868 -4.984) 24.253 21.500 ( -0.716 -0.414 0.403) 0.920 22.013 ( 18.725 10.811 6.708) 22.639 22.472 ( -1.054 -0.608 -1.551) 1.971 22.807 ( -0.403 -0.233 0.842) 0.962 24.003 ( 12.523 7.230 0.460) 14.468 24.609 ( 4.637 2.677 -1.178) 5.483 24.774 ( 1.337 0.772 0.739) 1.711 25.052 ( 2.048 1.183 0.461) 2.410 25.676 ( -10.990 -6.345 -13.046) 18.200 26.368 ( 2.718 1.569 -0.469) 3.173 27.488 ( 3.909 2.257 -1.106) 4.647 27.595 ( 4.207 2.429 -1.774) 5.171 28.309 ( 2.274 1.313 -3.818) 4.634 31.138 ( 6.051 3.493 3.533) 7.829 31.780 ( 5.709 3.296 2.163) 6.938 50.907 ( 1.274 0.736 2.421) 2.833 51.253 ( 11.742 6.780 2.183) 13.734 53.179 ( -13.724 -7.923 -0.794) 15.867 54.687 ( 9.030 5.213 -0.030) 10.426 54.782 ( -0.540 -0.312 -0.869) 1.070 55.963 ( -3.331 -1.923 0.367) 3.863 ======================= Grid point 190 (31/126) ======================= q-point: (-0.31 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( -8.610 -4.971 0.915) 9.984 2.222 ( -14.044 -8.108 1.652) 16.300 2.827 ( -6.657 -3.843 -3.163) 8.312 4.274 ( -8.260 -4.769 6.617) 11.608 4.507 ( -22.984 -13.270 -0.228) 26.541 5.445 ( -26.848 -15.501 3.073) 31.154 6.156 ( 9.391 5.422 0.227) 10.846 7.041 ( 5.440 3.141 3.015) 6.968 7.809 ( -7.135 -4.119 -1.957) 8.468 7.893 ( -2.818 -1.627 -0.204) 3.260 8.072 ( 2.859 1.651 -1.834) 3.776 9.627 ( -2.494 -1.440 -4.136) 5.040 12.814 ( -29.662 -17.126 0.051) 34.251 16.375 ( -14.192 -8.194 -5.507) 17.288 17.517 ( -26.808 -15.477 -5.196) 31.388 21.468 ( -2.024 -1.169 0.108) 2.340 22.165 ( -20.317 -11.730 -3.004) 23.652 22.519 ( 24.669 14.242 4.731) 28.875 23.080 ( 18.771 10.838 2.821) 21.858 24.300 ( 12.122 6.998 0.879) 14.024 24.679 ( 1.228 0.709 -1.340) 1.951 24.829 ( 4.119 2.378 0.114) 4.758 25.047 ( -7.387 -4.265 -1.146) 8.607 25.431 ( -5.890 -3.400 -16.614) 17.952 26.458 ( 5.231 3.020 -0.579) 6.068 27.598 ( 5.495 3.173 -1.182) 6.454 27.705 ( 5.114 2.953 -1.245) 6.035 28.378 ( 3.717 2.146 -3.754) 5.702 31.264 ( 4.951 2.859 11.150) 12.530 32.007 ( 14.207 8.203 1.898) 16.515 50.943 ( 1.854 1.070 2.388) 3.207 51.591 ( 17.358 10.021 2.118) 20.154 52.850 ( -14.314 -8.264 -3.082) 16.813 54.766 ( -0.821 -0.474 -0.851) 1.274 54.892 ( 8.599 4.964 -0.081) 9.929 55.852 ( -6.543 -3.778 1.867) 7.783 ======================= Grid point 191 (32/126) ======================= q-point: (-0.23 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -13.654 -7.883 2.999) 16.049 1.851 ( -18.184 -10.499 5.749) 21.770 2.627 ( -11.683 -6.745 2.105) 13.654 3.971 ( -23.407 -13.514 -1.013) 27.047 4.110 ( -6.199 -3.579 2.123) 7.466 4.715 ( -35.124 -20.279 3.163) 40.681 6.375 ( 9.993 5.769 0.347) 11.544 7.162 ( 5.348 3.088 2.044) 6.505 7.666 ( -4.891 -2.824 -0.277) 5.654 7.805 ( -4.904 -2.832 -0.261) 5.669 8.178 ( 4.930 2.847 -4.186) 7.066 9.522 ( -6.421 -3.707 -7.298) 10.403 12.049 ( -36.223 -20.913 0.498) 41.829 16.103 ( -9.536 -5.506 -6.248) 12.661 16.898 ( -26.597 -15.356 -5.863) 31.266 21.414 ( -2.671 -1.542 -0.286) 3.097 21.665 ( -22.373 -12.917 -2.047) 25.915 23.081 ( 23.085 13.328 1.208) 26.684 23.541 ( 20.564 11.873 2.660) 23.894 24.500 ( 5.060 2.921 0.992) 5.927 24.637 ( -23.935 -13.819 -20.546) 34.437 24.678 ( -1.849 -1.067 0.620) 2.223 24.986 ( 9.380 5.415 -0.259) 10.834 25.454 ( 3.729 2.153 -10.778) 11.606 26.604 ( 7.358 4.248 -0.014) 8.496 27.728 ( 5.747 3.318 -1.235) 6.750 27.816 ( 4.430 2.558 -1.002) 5.213 28.474 ( 4.648 2.684 -3.519) 6.418 31.401 ( 8.518 4.918 26.327) 28.104 32.389 ( 18.188 10.501 0.979) 21.024 50.988 ( 2.014 1.163 2.387) 3.333 51.978 ( 12.675 7.318 0.218) 14.637 52.594 ( -4.373 -2.525 -4.401) 6.698 54.746 ( -0.919 -0.530 -0.866) 1.369 55.068 ( 6.692 3.864 -0.161) 7.729 55.662 ( -10.163 -5.867 3.487) 12.242 ======================= Grid point 192 (33/126) ======================= q-point: (-0.15 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -19.268 -11.125 14.374) 26.488 1.441 ( -19.971 -11.530 7.862) 24.364 2.245 ( -23.253 -13.425 13.099) 29.875 3.478 ( -19.080 -11.016 -2.660) 22.191 3.767 ( -29.080 -16.790 -4.486) 33.878 4.198 ( -1.502 -0.867 4.806) 5.109 6.613 ( 10.822 6.248 0.303) 12.500 7.281 ( 4.733 2.733 0.998) 5.555 7.581 ( -2.722 -1.571 0.956) 3.285 7.669 ( -6.997 -4.040 -0.300) 8.085 8.236 ( -1.896 -1.095 -10.301) 10.531 9.369 ( -5.414 -3.126 -8.742) 10.747 11.239 ( -33.102 -19.112 0.718) 38.230 15.937 ( -5.274 -3.045 -6.947) 9.238 16.346 ( -21.161 -12.217 -6.689) 25.334 21.187 ( -18.302 -10.566 -1.674) 21.199 21.359 ( -2.455 -1.418 0.572) 2.892 23.375 ( -9.992 -5.769 -24.137) 26.752 23.975 ( 16.774 9.685 1.957) 19.468 24.101 ( -12.231 -7.062 -22.359) 26.446 24.559 ( 0.919 0.531 0.601) 1.220 24.645 ( -1.667 -0.962 -0.737) 2.061 25.210 ( 9.291 5.364 -0.036) 10.728 25.508 ( 0.538 0.310 -8.903) 8.925 26.778 ( 7.498 4.329 0.555) 8.675 27.850 ( 4.691 2.708 -1.254) 5.559 27.901 ( 2.972 1.716 -1.020) 3.580 28.580 ( 4.354 2.514 -3.149) 5.932 31.739 ( 23.953 13.829 50.347) 57.444 32.787 ( 15.954 9.211 0.650) 18.433 51.031 ( 1.715 0.990 2.423) 3.130 51.944 ( -12.559 -7.251 -11.977) 18.808 52.859 ( 23.850 13.770 3.629) 27.777 54.726 ( -0.806 -0.466 -0.912) 1.303 55.191 ( 3.633 2.097 0.259) 4.203 55.393 ( -12.968 -7.487 4.064) 15.516 ======================= Grid point 193 (34/126) ======================= q-point: (-0.08 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -21.574 -12.456 18.242) 30.877 1.004 ( -16.786 -9.691 25.760) 32.238 1.563 ( -33.313 -19.233 31.538) 49.743 3.133 ( -10.802 -6.236 -4.876) 13.392 3.200 ( -17.737 -10.240 -8.815) 22.297 4.417 ( 21.766 12.566 11.446) 27.616 6.855 ( 9.890 5.710 0.159) 11.421 7.354 ( 0.981 0.566 -1.958) 2.262 7.496 ( -7.697 -4.444 -0.295) 8.893 7.537 ( -1.227 -0.708 1.675) 2.194 7.911 ( -31.599 -18.244 -28.828) 46.502 9.394 ( 9.406 5.430 1.391) 10.950 10.618 ( -19.929 -11.506 0.815) 23.026 15.852 ( -2.341 -1.351 -7.551) 8.020 15.964 ( -11.859 -6.847 -7.500) 15.613 20.860 ( -9.701 -5.601 0.346) 11.207 21.314 ( -1.392 -0.804 0.113) 1.611 22.294 ( -78.103 -45.093 -67.702) 112.770 24.206 ( 10.039 5.796 -2.730) 11.909 24.276 ( 9.100 5.254 0.640) 10.527 24.562 ( -0.336 -0.194 0.593) 0.709 24.604 ( -1.966 -1.135 0.103) 2.273 25.380 ( 5.301 3.061 0.230) 6.126 25.481 ( -2.338 -1.350 -4.242) 5.028 26.923 ( 4.779 2.759 0.309) 5.527 27.935 ( 2.647 1.528 -1.235) 3.296 27.951 ( 1.424 0.822 -1.109) 1.984 28.662 ( 2.637 1.522 -2.867) 4.182 32.665 ( 60.078 34.686 63.180) 93.831 33.085 ( 10.107 5.835 2.031) 11.846 51.063 ( 1.022 0.590 2.487) 2.752 51.531 ( -23.864 -13.778 -18.453) 33.164 53.508 ( 32.098 18.532 8.267) 37.974 54.710 ( -0.504 -0.291 -0.977) 1.138 55.021 ( -16.438 -9.491 2.757) 19.180 55.289 ( 1.838 1.061 -0.525) 2.187 ======================= Grid point 195 (35/126) ======================= q-point: ( 0.08 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 14.225 17.015 18.838) 29.099 1.398 ( 18.530 21.178 10.041) 29.878 2.049 ( 12.772 29.380 17.543) 36.525 3.321 ( 6.252 19.218 -5.512) 20.948 3.625 ( 19.018 26.782 -4.309) 33.129 4.212 ( -3.161 -6.096 5.565) 8.839 6.690 ( -5.666 -9.897 0.317) 11.408 7.260 ( -8.184 0.961 -3.399) 8.914 7.546 ( 2.566 0.563 0.986) 2.806 7.570 ( 2.043 2.364 1.199) 3.347 8.437 ( 21.561 6.770 -10.382) 24.870 9.223 ( -10.223 4.018 -8.714) 14.021 11.046 ( 17.714 30.693 0.753) 35.446 15.903 ( 2.305 4.160 -7.174) 8.607 16.223 ( 10.825 19.088 -6.915) 23.008 21.109 ( 11.473 13.764 0.065) 17.918 21.352 ( 2.700 2.540 0.814) 3.796 23.165 ( 11.041 39.641 -47.475) 62.826 23.989 ( -10.750 -12.956 -2.983) 17.097 24.157 ( 1.976 -8.219 -4.777) 9.710 24.567 ( -0.270 -0.691 0.558) 0.929 24.637 ( 1.636 2.330 -1.276) 3.120 25.266 ( -4.583 -8.934 0.240) 10.043 25.512 ( 0.557 1.245 -8.192) 8.305 26.828 ( -3.501 -7.178 0.484) 8.001 27.878 ( -2.306 -4.455 -1.174) 5.152 27.917 ( -1.637 -2.282 -1.137) 3.030 28.605 ( -2.346 -4.077 -3.047) 5.604 31.928 ( -16.227 -31.513 57.748) 67.759 32.877 ( -8.802 -14.646 0.394) 17.092 51.044 ( -0.649 -1.654 2.538) 3.098 51.847 ( 7.358 16.257 -14.764) 23.161 53.067 ( -9.890 -29.853 6.014) 32.018 54.733 ( 0.862 1.627 -1.585) 2.429 55.217 ( 4.910 9.493 3.483) 11.241 55.251 ( -2.989 2.811 0.657) 4.155 ======================= Grid point 196 (36/126) ======================= q-point: ( 0.15 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 16.563 12.321 11.830) 23.792 1.878 ( 15.155 16.940 6.289) 23.584 2.483 ( 12.323 14.191 6.522) 19.894 3.717 ( 14.687 23.002 -4.384) 27.641 4.124 ( 3.327 2.185 -1.452) 4.237 4.371 ( 25.014 28.620 3.822) 38.203 6.490 ( -8.232 -6.094 0.479) 10.254 7.133 ( -7.660 1.198 -2.964) 8.300 7.577 ( 5.810 -8.603 1.149) 10.444 7.662 ( 5.896 1.989 0.749) 6.268 8.601 ( -5.316 2.024 3.839) 6.862 9.273 ( 7.704 7.988 -15.105) 18.743 11.766 ( 27.590 33.102 0.611) 43.097 16.022 ( 6.178 5.638 -6.508) 10.597 16.684 ( 18.403 22.176 -6.363) 29.511 21.345 ( 2.939 4.852 -1.925) 5.990 21.580 ( 17.642 10.318 3.196) 20.686 23.266 ( -17.156 2.354 -9.585) 19.792 23.613 ( -16.829 -13.893 -2.001) 21.914 24.348 ( 17.514 6.700 -15.929) 24.604 24.524 ( -3.211 -2.778 0.415) 4.266 24.704 ( 3.464 2.377 -2.458) 4.867 25.066 ( -6.982 -9.710 0.255) 11.962 25.502 ( -2.316 -0.681 -9.455) 9.758 26.676 ( -5.030 -7.894 0.307) 9.365 27.773 ( -3.925 -5.452 -1.087) 6.805 27.851 ( -3.315 -2.530 -1.216) 4.344 28.510 ( -3.604 -4.489 -3.366) 6.669 31.544 ( -6.818 -10.423 35.437) 37.562 32.517 ( -14.470 -16.390 -0.221) 21.864 51.010 ( -1.289 -1.778 2.577) 3.386 52.024 ( -4.592 8.596 -6.321) 11.616 52.682 ( -0.429 -21.952 3.180) 22.186 54.756 ( -0.449 1.950 -1.534) 2.521 55.163 ( -4.999 -1.394 -0.494) 5.213 55.453 ( 8.001 9.835 2.563) 12.935 ======================= Grid point 197 (37/126) ======================= q-point: ( 0.23 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 10.116 7.922 6.352) 14.333 2.265 ( 12.466 13.238 5.933) 19.127 2.767 ( 9.946 6.254 0.083) 11.749 4.142 ( 6.617 5.934 2.764) 9.308 4.280 ( 13.616 22.265 -3.298) 26.306 5.116 ( 27.515 23.196 2.250) 36.059 6.295 ( -9.403 -2.783 0.602) 9.825 7.016 ( -6.914 -0.366 -1.435) 7.071 7.589 ( 9.723 -14.555 0.281) 17.506 7.811 ( 7.949 4.730 0.202) 9.252 8.463 ( -15.202 9.789 1.210) 18.122 9.487 ( 10.110 0.463 -7.008) 12.310 12.566 ( 27.122 30.747 0.331) 41.001 16.234 ( 11.399 7.335 -5.737) 14.719 17.252 ( 21.834 21.288 -5.942) 31.067 21.417 ( 1.908 2.639 -1.357) 3.528 21.981 ( 17.702 3.122 2.422) 18.137 22.900 ( -23.840 3.856 -0.013) 24.150 23.176 ( -17.995 -12.293 -1.303) 21.831 24.379 ( -8.213 -7.486 0.290) 11.116 24.650 ( 7.612 2.047 -3.993) 8.836 24.835 ( 8.738 1.608 -6.495) 11.006 24.888 ( -2.781 -3.618 -0.071) 4.564 25.435 ( -2.768 -1.367 -10.206) 10.663 26.518 ( -3.855 -7.928 0.100) 8.816 27.646 ( -4.360 -5.499 -1.051) 7.096 27.756 ( -4.856 -2.378 -1.366) 5.577 28.404 ( -3.359 -4.393 -3.665) 6.635 31.411 ( -2.802 -3.370 19.610) 20.093 32.099 ( -14.776 -15.328 -0.607) 21.300 50.969 ( -1.527 -1.333 2.570) 3.273 51.805 ( -19.596 -2.544 0.203) 19.761 52.707 ( 16.908 -8.952 0.579) 19.140 54.748 ( -1.167 -1.383 -1.043) 2.089 55.056 ( -8.107 3.349 -0.476) 8.784 55.671 ( 8.298 5.524 0.251) 9.971 ======================= Grid point 198 (38/126) ======================= q-point: ( 0.31 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 3.971 6.409 3.161) 8.175 2.536 ( 7.291 6.794 5.428) 11.348 2.961 ( 7.559 2.658 -1.923) 8.240 4.277 ( 5.305 6.224 4.738) 9.451 4.787 ( 15.992 22.486 -2.547) 27.711 5.704 ( 19.720 12.933 1.689) 23.643 6.110 ( -10.652 -0.392 0.626) 10.677 6.877 ( -6.434 -4.788 0.378) 8.029 7.643 ( 11.623 -11.344 -0.315) 16.244 8.028 ( 10.230 6.946 -0.247) 12.368 8.303 ( -15.480 11.482 0.016) 19.273 9.600 ( 5.313 -4.394 -2.316) 7.273 13.236 ( 17.757 25.153 -0.131) 30.789 16.548 ( 15.325 8.572 -4.986) 18.253 17.806 ( 20.728 15.148 -5.738) 26.306 21.465 ( 1.274 1.532 -0.959) 2.212 22.074 ( -4.057 -11.281 3.799) 12.576 22.686 ( -16.242 14.576 -1.401) 21.868 22.837 ( -3.809 -5.015 2.152) 6.655 24.123 ( -10.980 -8.350 0.146) 13.795 24.684 ( -2.163 -1.404 -0.043) 2.579 24.797 ( -2.166 -0.731 0.428) 2.326 24.992 ( 2.066 -0.095 -3.161) 3.778 25.473 ( 9.878 -1.359 -12.232) 15.781 26.398 ( -1.264 -7.579 0.119) 7.685 27.527 ( -3.573 -4.234 -1.065) 5.641 27.646 ( -5.260 -1.865 -1.661) 5.823 28.316 ( -1.958 -3.987 -3.822) 5.860 31.314 ( -6.685 -2.790 9.329) 11.811 31.774 ( -6.476 -10.395 0.178) 12.249 50.937 ( -1.375 0.088 2.538) 2.888 51.445 ( -17.589 -3.131 1.754) 17.951 52.953 ( 19.699 -7.745 1.143) 21.198 54.675 ( -2.876 -6.531 -0.504) 7.154 54.974 ( -9.034 10.233 -0.750) 13.671 55.838 ( 6.508 2.573 -0.984) 7.067 ======================= Grid point 199 (39/126) ======================= q-point: ( 0.38 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -0.171 5.433 1.491) 5.636 2.655 ( 1.999 2.082 3.386) 4.449 3.067 ( 3.227 -0.267 -0.707) 3.314 4.443 ( 5.544 6.989 4.965) 10.210 5.238 ( 13.056 17.997 -1.467) 22.283 5.895 ( -12.016 0.255 0.467) 12.027 6.064 ( 9.207 5.885 1.183) 10.991 6.719 ( -3.414 -8.281 2.048) 9.188 7.749 ( 8.759 -3.734 -0.188) 9.524 8.142 ( -12.071 9.445 0.250) 15.329 8.289 ( 9.223 4.251 -0.753) 10.183 9.595 ( 1.164 -6.367 -0.782) 6.520 13.647 ( 5.030 18.485 -0.630) 19.168 16.874 ( 11.783 6.995 -4.409) 14.394 18.217 ( 14.972 4.417 -5.699) 16.618 21.490 ( 0.472 0.769 -0.419) 0.995 21.826 ( -10.668 -4.527 6.673) 13.373 22.484 ( -12.543 5.207 -1.285) 13.641 22.936 ( 5.327 4.210 0.939) 6.855 23.891 ( -8.791 -2.507 0.171) 9.143 24.583 ( -5.742 -2.401 -0.293) 6.231 24.765 ( -1.399 0.518 0.841) 1.713 24.999 ( 0.455 0.052 -1.585) 1.649 25.654 ( 12.483 -5.318 -11.168) 17.574 26.322 ( 0.817 -7.124 0.384) 7.181 27.449 ( -1.980 -1.857 -1.039) 2.906 27.552 ( -3.549 -1.119 -2.051) 4.249 28.261 ( -0.174 -3.387 -3.854) 5.133 31.140 ( -8.247 -2.620 3.459) 9.319 31.669 ( 1.267 -5.332 0.942) 5.561 50.931 ( -1.076 3.189 2.507) 4.197 51.171 ( -11.325 -1.625 2.193) 11.649 53.185 ( 17.780 -12.184 1.616) 21.614 54.546 ( -4.012 -5.373 -0.319) 6.713 54.944 ( -8.080 12.658 -0.919) 15.045 55.944 ( 4.131 0.455 -1.362) 4.374 ======================= Grid point 200 (40/126) ======================= q-point: ( 0.46 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -3.402 4.353 0.646) 5.562 2.662 ( -2.023 -0.117 1.613) 2.590 3.069 ( -0.987 -2.460 -0.749) 2.754 4.563 ( 1.031 3.998 6.133) 7.393 5.552 ( 2.682 3.480 0.085) 4.394 5.681 ( -9.995 10.353 -0.544) 14.401 6.170 ( -0.936 -0.771 0.434) 1.288 6.657 ( 5.736 -5.680 3.678) 8.870 7.821 ( 0.842 -2.075 -0.157) 2.245 8.064 ( -5.672 9.756 0.209) 11.287 8.409 ( 1.515 -2.410 -0.537) 2.897 9.554 ( 1.876 -5.123 -1.029) 5.552 13.779 ( -6.929 11.934 -0.864) 13.827 17.019 ( -0.540 0.600 -4.255) 4.331 18.378 ( 4.196 -5.858 -5.460) 9.041 21.505 ( 0.371 1.041 -0.022) 1.105 21.700 ( -2.035 2.956 7.899) 8.676 22.414 ( -4.136 9.963 -0.201) 10.789 22.992 ( -1.271 -1.189 -0.756) 1.897 23.799 ( -2.416 4.095 0.214) 4.759 24.507 ( -0.709 0.401 -0.809) 1.148 24.757 ( -0.398 0.657 0.946) 1.219 25.013 ( 0.787 0.435 -0.664) 1.118 25.750 ( 6.958 -10.168 -10.676) 16.303 26.284 ( 2.414 -6.157 0.456) 6.629 27.423 ( -0.206 0.286 -0.957) 1.020 27.515 ( 0.033 0.236 -2.246) 2.259 28.243 ( 1.528 -2.581 -3.848) 4.879 31.040 ( -2.047 1.305 1.716) 2.973 31.662 ( 2.766 -4.074 0.768) 4.984 50.952 ( -3.922 6.580 2.491) 8.055 51.049 ( -0.071 0.256 2.280) 2.295 53.276 ( 9.785 -18.745 1.435) 21.194 54.478 ( 0.459 -0.593 -0.312) 0.812 54.938 ( -7.472 12.801 -0.972) 14.854 55.989 ( 1.661 -1.251 -1.092) 2.349 ======================= Grid point 202 (41/126) ======================= q-point: (-0.46 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( -6.339 2.901 0.513) 6.991 2.584 ( -6.469 -1.185 0.645) 6.608 2.999 ( -3.526 -3.335 -2.641) 5.525 4.538 ( -5.631 -0.802 8.053) 9.859 5.282 ( -20.672 -3.155 0.099) 20.911 5.877 ( 6.184 12.004 -0.209) 13.505 6.042 ( -9.194 -5.669 0.703) 10.824 6.782 ( 10.653 -0.571 3.936) 11.371 7.737 ( -2.047 -9.464 -0.645) 9.704 8.131 ( -2.966 12.930 -0.165) 13.267 8.294 ( -8.379 -4.142 -0.590) 9.365 9.568 ( 4.388 -4.198 -1.716) 6.310 13.646 ( -18.547 4.905 -0.662) 19.196 16.869 ( -12.073 -6.921 -4.606) 14.658 18.239 ( -10.619 -10.565 -4.967) 15.782 21.513 ( -0.608 0.628 0.142) 0.886 21.826 ( 10.514 6.421 7.189) 14.264 22.536 ( 3.023 15.499 0.463) 15.798 22.871 ( -8.412 -4.398 -1.199) 9.567 23.892 ( 6.925 6.248 0.185) 9.329 24.568 ( 4.126 4.068 -0.972) 5.875 24.762 ( 0.460 0.332 0.692) 0.895 25.037 ( 1.276 1.163 0.116) 1.730 25.680 ( -1.025 -14.019 -11.374) 18.082 26.291 ( 4.659 -4.278 -0.107) 6.326 27.447 ( 2.380 0.984 -1.055) 2.783 27.557 ( 3.119 2.315 -1.882) 4.316 28.262 ( 3.054 -1.535 -3.859) 5.155 31.094 ( 3.912 4.999 1.950) 6.641 31.687 ( 5.076 -3.094 1.590) 6.154 50.928 ( -2.352 2.521 2.404) 4.203 51.174 ( 7.274 9.144 2.284) 11.905 53.150 ( -0.362 -21.524 0.433) 21.531 54.550 ( 6.807 0.717 -0.221) 6.849 54.941 ( -6.837 12.773 -1.022) 14.524 55.975 ( -0.927 -2.860 -0.283) 3.020 ======================= Grid point 203 (42/126) ======================= q-point: (-0.38 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -9.534 0.785 1.338) 9.660 2.410 ( -12.432 -1.523 0.484) 12.534 2.892 ( -5.052 -3.373 -3.876) 7.206 4.380 ( -9.124 -3.728 8.285) 12.876 4.847 ( -25.862 -3.961 -0.382) 26.166 5.720 ( -19.593 -10.229 2.312) 22.223 6.091 ( 6.166 9.261 0.011) 11.126 6.966 ( 8.677 3.157 3.373) 9.830 7.608 ( 2.834 -16.360 -1.606) 16.681 8.002 ( -11.156 -5.190 -1.192) 12.362 8.290 ( -4.521 18.712 -0.404) 19.254 9.586 ( 2.670 -5.881 -2.823) 7.049 13.236 ( -30.632 -2.764 -0.144) 30.756 16.540 ( -15.085 -8.972 -5.257) 18.322 17.832 ( -23.507 -10.844 -4.871) 26.342 21.495 ( -1.792 -0.277 -0.039) 1.814 22.081 ( 10.350 -4.088 4.265) 11.918 22.631 ( -9.811 14.624 -1.600) 17.683 22.887 ( 14.397 9.433 2.679) 17.419 24.130 ( 13.326 4.964 0.364) 14.225 24.670 ( 2.229 3.186 -0.769) 3.964 24.783 ( 2.129 -0.080 -0.106) 2.133 25.067 ( -0.080 -1.582 0.813) 1.780 25.476 ( -5.357 -10.883 -14.678) 19.042 26.359 ( 6.960 -1.991 -0.498) 7.257 27.524 ( 5.199 1.231 -1.152) 5.465 27.654 ( 4.544 3.260 -1.366) 5.757 28.317 ( 4.418 -0.324 -3.852) 5.871 31.224 ( 4.210 5.030 6.094) 8.953 31.816 ( 12.706 0.480 2.079) 12.884 50.932 ( 0.476 1.323 2.368) 2.754 51.459 ( 12.459 14.177 2.242) 19.007 52.880 ( -5.999 -20.351 -1.244) 21.253 54.680 ( 7.230 -0.873 -0.356) 7.291 54.965 ( -4.223 12.129 -1.003) 12.882 55.899 ( -3.873 -4.538 0.979) 6.045 ======================= Grid point 204 (43/126) ======================= q-point: (-0.31 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -13.989 -2.215 4.128) 14.752 2.136 ( -18.363 0.073 1.225) 18.404 2.748 ( -8.331 -3.761 -1.418) 9.250 4.186 ( -9.114 -4.156 5.395) 11.377 4.340 ( -27.314 -3.967 -1.235) 27.628 5.148 ( -33.225 -13.182 3.169) 35.885 6.286 ( 7.464 6.894 0.275) 10.165 7.124 ( 4.575 5.656 2.179) 7.594 7.536 ( 8.484 -17.513 -1.563) 19.523 7.788 ( -8.152 -3.968 -0.649) 9.090 8.390 ( -6.078 19.269 -1.458) 20.258 9.529 ( -1.522 -7.987 -5.402) 9.762 12.566 ( -40.172 -8.113 0.342) 40.985 16.229 ( -11.938 -5.994 -5.936) 14.618 17.269 ( -29.601 -8.978 -5.367) 31.395 21.449 ( -2.764 -0.915 -0.440) 2.944 21.898 ( -16.536 -10.847 -0.251) 19.778 22.896 ( 16.144 17.979 1.404) 24.205 23.296 ( 19.501 10.666 2.694) 22.390 24.388 ( 10.741 2.153 0.343) 10.960 24.696 ( -1.023 -0.029 0.363) 1.086 24.803 ( -6.772 -11.295 -9.859) 16.451 24.899 ( -1.507 -2.326 -1.639) 3.220 25.427 ( 2.759 2.617 -11.478) 12.091 26.488 ( 8.877 0.501 -0.199) 8.893 27.641 ( 6.768 1.317 -1.193) 6.997 27.764 ( 4.636 2.573 -1.064) 5.408 28.404 ( 5.456 0.688 -3.713) 6.635 31.331 ( 4.424 3.710 16.768) 17.734 32.128 ( 20.035 3.954 1.087) 20.450 50.964 ( 1.815 0.862 2.377) 3.112 51.862 ( 15.371 17.358 2.129) 23.283 52.577 ( -5.919 -18.112 -3.521) 19.377 54.752 ( 1.779 0.069 -0.890) 1.991 55.044 ( 1.417 8.115 -0.771) 8.274 55.750 ( -7.373 -6.214 2.528) 9.968 ======================= Grid point 205 (44/126) ======================= q-point: (-0.23 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -19.874 -2.383 10.244) 22.486 1.798 ( -22.751 2.172 3.766) 23.163 2.503 ( -16.520 -4.885 5.836) 18.188 3.778 ( -26.161 -6.486 -1.953) 27.023 4.079 ( -9.531 0.813 -1.067) 9.625 4.407 ( -34.131 -9.767 3.797) 35.703 6.486 ( 9.588 4.258 0.366) 10.497 7.231 ( 3.390 1.803 -0.192) 3.845 7.537 ( 6.942 -10.250 0.229) 12.382 7.645 ( -5.283 -1.920 0.221) 5.625 8.456 ( -6.969 16.366 -2.698) 17.991 9.382 ( -4.991 -9.620 -9.793) 14.607 11.766 ( -42.465 -7.361 0.619) 43.103 16.020 ( -7.837 -2.393 -6.563) 10.499 16.690 ( -28.579 -5.467 -6.154) 29.741 21.378 ( -5.108 -2.763 -2.328) 6.256 21.489 ( -19.693 -2.118 1.668) 19.877 23.337 ( 14.765 8.880 -3.369) 17.556 23.711 ( 19.657 2.780 1.321) 19.896 24.311 ( -20.462 -12.205 -22.813) 32.986 24.539 ( 2.493 -0.007 0.304) 2.512 24.678 ( -2.577 0.766 -1.918) 3.302 25.058 ( 11.778 1.927 0.002) 11.935 25.501 ( 1.886 1.819 -9.702) 10.050 26.661 ( 9.521 1.779 0.350) 9.692 27.770 ( 6.612 1.033 -1.203) 6.799 27.856 ( 3.887 1.100 -1.037) 4.171 28.510 ( 5.680 0.880 -3.394) 6.675 31.503 ( 12.766 4.468 34.358) 36.924 32.528 ( 21.117 3.349 0.438) 21.385 51.006 ( 2.133 0.593 2.435) 3.290 52.110 ( -9.166 2.791 -6.124) 11.371 52.534 ( 21.929 0.423 1.516) 21.985 54.757 ( -1.444 1.089 -1.404) 2.290 55.152 ( 3.765 3.838 -0.580) 5.408 55.523 ( -11.282 -7.372 3.981) 14.053 ======================= Grid point 210 (45/126) ======================= q-point: ( 0.15 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 9.934 12.708 7.293) 17.702 2.191 ( 12.817 14.313 2.022) 19.319 2.705 ( 5.172 8.604 0.171) 10.040 4.127 ( 4.649 10.872 4.038) 12.494 4.301 ( 11.680 22.953 -2.691) 25.894 4.992 ( 17.108 31.665 2.916) 36.110 6.372 ( -2.935 -5.848 0.492) 6.562 7.185 ( -8.455 4.182 -2.590) 9.782 7.324 ( 0.605 -14.506 1.996) 14.655 7.757 ( 4.757 6.769 -0.085) 8.274 8.653 ( 4.404 1.666 0.558) 4.741 9.390 ( -0.280 3.961 -7.532) 8.515 12.488 ( 22.210 38.488 0.475) 44.439 16.166 ( 5.579 9.343 -6.101) 12.476 17.175 ( 14.738 26.466 -5.584) 30.803 21.427 ( 0.636 3.505 -1.462) 3.851 21.810 ( 9.906 12.112 2.402) 15.830 23.098 ( -7.231 -16.059 0.719) 17.627 23.397 ( -12.205 -9.828 -0.275) 15.673 24.413 ( -4.083 -8.462 -0.532) 9.411 24.549 ( 3.315 11.717 -9.321) 15.335 24.750 ( 3.793 2.320 -4.707) 6.475 24.897 ( -3.309 -5.717 0.367) 6.616 25.465 ( -1.777 -3.233 -9.311) 10.015 26.499 ( -4.560 -9.621 0.202) 10.649 27.655 ( -3.512 -6.278 -1.157) 7.286 27.790 ( -2.350 -3.675 -1.074) 4.493 28.410 ( -3.121 -5.388 -3.692) 7.238 31.395 ( -0.241 -4.999 20.374) 20.980 32.159 ( -12.001 -19.095 -0.031) 22.553 50.974 ( -0.788 -1.681 2.435) 3.062 52.141 ( -18.423 -8.737 1.065) 20.417 52.308 ( 13.983 -3.196 -1.503) 14.422 54.756 ( -1.432 -2.307 -1.088) 2.926 55.151 ( 1.163 0.280 -1.437) 1.870 55.644 ( 1.954 9.063 2.268) 9.545 ======================= Grid point 211 (46/126) ======================= q-point: ( 0.23 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 6.703 9.347 4.508) 12.353 2.491 ( 7.915 9.353 2.897) 12.590 2.862 ( 6.455 3.477 -2.828) 7.859 4.272 ( 3.815 8.601 6.731) 11.569 4.792 ( 13.449 26.722 -2.380) 30.010 5.538 ( 16.463 18.815 1.959) 25.077 6.268 ( -5.988 0.117 0.609) 6.020 6.973 ( -11.411 -6.433 -0.179) 13.100 7.347 ( 10.796 -6.093 -0.396) 12.403 7.937 ( 7.851 7.524 -0.216) 10.876 8.644 ( -9.592 7.211 0.237) 12.002 9.438 ( 5.523 -4.901 -3.159) 8.032 13.218 ( 19.561 34.031 0.262) 39.253 16.404 ( 11.066 10.193 -5.580) 16.047 17.667 ( 15.005 19.284 -5.212) 24.984 21.468 ( 0.658 2.486 -1.376) 2.917 21.999 ( 3.578 -0.334 4.062) 5.424 22.849 ( -5.421 -9.091 2.018) 10.775 23.125 ( -16.230 5.737 -1.708) 17.299 24.198 ( -8.118 -9.642 -0.024) 12.604 24.676 ( 2.389 0.826 -1.258) 2.823 24.801 ( 0.935 -1.533 -1.839) 2.570 24.896 ( 5.500 0.966 -3.629) 6.660 25.388 ( -2.070 -3.684 -9.271) 10.189 26.334 ( -2.730 -10.315 0.147) 10.671 27.539 ( -3.172 -4.962 -1.164) 6.003 27.704 ( -3.782 -2.914 -1.133) 4.908 28.306 ( -2.600 -5.362 -3.924) 7.135 31.364 ( -0.989 -1.381 11.247) 11.375 31.782 ( -10.216 -16.177 -0.508) 19.139 50.952 ( -0.472 -0.161 2.407) 2.458 51.753 ( -19.324 -3.432 1.805) 19.709 52.520 ( 17.301 -8.664 0.465) 19.355 54.672 ( -3.299 -5.455 -0.545) 6.398 55.182 ( -2.658 7.870 -1.434) 8.430 55.765 ( 4.458 3.962 0.247) 5.969 ======================= Grid point 212 (47/126) ======================= q-point: ( 0.31 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 1.981 8.418 2.250) 8.936 2.642 ( 2.721 3.955 2.941) 5.631 2.986 ( 5.508 -0.062 -1.892) 5.825 4.440 ( 4.659 9.889 7.002) 12.981 5.239 ( 10.402 21.212 -1.433) 23.669 5.911 ( 11.562 8.408 1.149) 14.342 6.166 ( -9.865 6.755 0.374) 11.961 6.719 ( -7.736 -10.862 0.786) 13.358 7.520 ( 13.071 -2.005 -0.422) 13.230 8.154 ( 8.977 5.932 -0.077) 10.760 8.504 ( -14.873 8.331 -0.014) 17.048 9.460 ( 4.969 -9.125 -0.751) 10.417 13.775 ( 8.667 28.348 -0.057) 29.643 16.730 ( 14.003 10.217 -4.968) 18.032 18.026 ( 11.751 5.755 -5.189) 14.076 21.496 ( 0.215 1.561 -1.266) 2.021 21.932 ( -6.296 -3.937 6.041) 9.573 22.726 ( -5.318 -0.262 0.082) 5.325 22.998 ( -8.336 11.325 -0.343) 14.066 24.003 ( -6.700 -2.668 -0.081) 7.212 24.649 ( -3.944 -2.263 -0.206) 4.552 24.801 ( -1.217 1.016 0.789) 1.771 24.970 ( 3.289 -2.180 -2.938) 4.920 25.375 ( 7.888 -8.376 -9.871) 15.159 26.212 ( 0.700 -10.785 0.231) 10.810 27.459 ( -1.740 -2.427 -1.173) 3.208 27.609 ( -4.283 -1.931 -1.301) 4.875 28.223 ( -0.799 -5.219 -4.005) 6.627 31.270 ( -8.789 -1.592 4.481) 9.993 31.567 ( 1.174 -10.213 0.558) 10.295 50.963 ( 0.517 2.504 2.385) 3.497 51.427 ( -17.357 1.260 2.202) 17.542 52.713 ( 18.701 -15.489 1.452) 24.326 54.556 ( -3.424 -5.242 -0.349) 6.271 55.208 ( -6.122 12.427 -1.131) 13.899 55.866 ( 4.759 0.240 -0.953) 4.860 ======================= Grid point 213 (48/126) ======================= q-point: ( 0.38 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( -2.600 7.883 0.839) 8.343 2.685 ( -0.171 1.109 2.202) 2.471 3.035 ( 1.913 -2.877 -0.486) 3.489 4.595 ( 2.095 7.969 7.027) 10.829 5.536 ( 5.375 9.447 -0.495) 10.880 6.033 ( -12.240 15.327 0.466) 19.620 6.144 ( 3.644 2.218 0.229) 4.272 6.528 ( -1.003 -9.529 1.439) 9.689 7.705 ( 9.671 -3.506 0.044) 10.287 8.310 ( -2.842 6.971 0.938) 7.587 8.354 ( -4.463 3.909 -0.673) 5.970 9.437 ( 3.574 -9.069 -0.416) 9.757 14.059 ( -4.555 22.110 -0.342) 22.576 17.009 ( 5.957 6.987 -4.463) 10.209 18.182 ( 8.668 -7.928 -5.298) 12.887 21.511 ( 0.179 1.270 -1.125) 1.706 21.799 ( -5.790 1.021 7.512) 9.539 22.663 ( -8.714 13.161 -0.874) 15.809 23.000 ( -1.252 2.062 0.065) 2.413 23.923 ( -5.047 5.729 0.033) 7.635 24.540 ( -3.874 -2.127 -0.726) 4.478 24.784 ( -1.703 1.212 1.050) 2.339 24.997 ( 1.676 -0.240 -1.538) 2.287 25.442 ( 12.089 -15.566 -9.537) 21.895 26.144 ( 3.588 -10.354 0.326) 10.963 27.432 ( -0.351 0.224 -1.019) 1.100 27.533 ( -2.419 -0.816 -1.610) 3.018 28.179 ( 1.405 -4.669 -3.983) 6.296 31.120 ( -6.045 0.598 1.594) 6.281 31.545 ( 4.275 -7.034 0.646) 8.257 51.024 ( 2.395 4.580 2.366) 5.684 51.194 ( -13.375 5.493 2.382) 14.654 52.832 ( 16.244 -21.940 1.729) 27.354 54.473 ( -1.349 -2.488 -0.321) 2.848 55.218 ( -7.999 14.086 -1.049) 16.233 55.928 ( 3.442 -2.117 -1.231) 4.224 ======================= Grid point 214 (49/126) ======================= q-point: (-0.54 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( -6.338 6.166 0.698) 8.870 2.666 ( -3.124 0.751 1.403) 3.506 3.005 ( -1.143 -3.851 -1.394) 4.252 4.634 ( -4.339 2.844 8.268) 9.761 5.546 ( -9.634 -0.356 -0.118) 9.642 6.023 ( -7.122 16.588 0.302) 18.055 6.126 ( -5.534 -0.404 -0.423) 5.565 6.561 ( 11.208 -3.385 2.384) 11.948 7.706 ( -2.042 -9.877 0.069) 10.086 8.276 ( -4.938 3.873 -0.345) 6.285 8.386 ( -1.046 7.732 0.537) 7.821 9.424 ( 4.958 -7.927 -0.868) 9.390 14.059 ( -16.898 15.009 -0.350) 22.604 17.004 ( -9.337 -1.894 -4.622) 10.589 18.193 ( 3.441 -11.186 -4.945) 12.705 21.526 ( 0.038 0.784 -1.007) 1.277 21.790 ( 1.468 5.293 7.663) 9.428 22.699 ( -4.383 16.183 0.418) 16.771 22.963 ( -4.093 0.163 -1.241) 4.280 23.919 ( -2.571 6.863 -0.119) 7.330 24.539 ( 3.485 2.744 -0.836) 4.514 24.770 ( -0.938 0.540 0.436) 1.167 25.024 ( 1.299 0.481 -0.159) 1.394 25.449 ( 8.232 -18.759 -9.811) 22.713 26.133 ( 6.051 -8.437 0.102) 10.383 27.434 ( 0.030 0.537 -0.926) 1.071 27.533 ( 1.992 1.572 -1.654) 3.029 28.180 ( 3.384 -3.538 -3.978) 6.308 31.103 ( 0.787 4.991 1.041) 5.159 31.552 ( 4.732 -6.785 0.919) 8.323 51.023 ( -5.247 0.250 2.329) 5.746 51.195 ( 2.039 14.372 2.427) 14.717 52.822 ( 9.850 -25.158 1.410) 27.055 54.473 ( 2.901 -0.083 -0.302) 2.918 55.213 ( -8.567 13.642 -1.214) 16.155 55.940 ( 1.294 -3.674 -0.812) 3.979 ======================= Grid point 215 (50/126) ======================= q-point: (-0.46 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( -9.340 3.311 1.874) 10.085 2.588 ( -7.638 1.770 0.620) 7.865 2.932 ( -3.188 -2.974 -3.393) 5.524 4.513 ( -9.539 -1.783 9.296) 13.438 5.261 ( -22.445 0.380 -0.609) 22.457 5.906 ( -11.721 -5.737 1.027) 13.090 6.150 ( -1.306 12.868 -0.133) 12.935 6.773 ( 14.687 -0.282 2.494) 14.899 7.510 ( -6.096 -12.082 -0.765) 13.555 8.134 ( -9.602 -4.121 -0.797) 10.479 8.513 ( -0.718 16.625 0.317) 16.644 9.440 ( 5.573 -8.209 -1.464) 10.029 13.775 ( -28.887 6.701 -0.065) 29.654 16.722 ( -15.851 -6.874 -5.214) 18.046 18.044 ( -10.622 -7.933 -4.578) 14.025 21.520 ( -1.198 -0.093 -0.760) 1.421 21.928 ( 7.276 3.537 6.385) 10.307 22.761 ( 0.239 -1.307 1.515) 2.015 22.956 ( -3.403 19.065 -1.918) 19.461 23.998 ( 6.045 4.144 -0.296) 7.335 24.654 ( 3.993 3.727 -0.158) 5.464 24.763 ( -0.004 -0.142 -0.820) 0.832 25.038 ( 0.659 -3.448 0.677) 3.575 25.376 ( 3.224 -12.288 -11.274) 16.985 26.189 ( 8.438 -5.162 -0.212) 9.894 27.460 ( 2.848 0.321 -1.096) 3.069 27.610 ( 4.020 2.605 -1.270) 4.956 28.224 ( 4.929 -1.945 -4.006) 6.643 31.217 ( 3.836 7.143 2.580) 8.509 31.598 ( 9.316 -5.637 1.803) 11.037 50.961 ( -2.511 0.890 2.317) 3.531 51.433 ( 8.001 15.814 2.414) 17.886 52.685 ( 2.579 -23.196 0.510) 23.344 54.558 ( 6.337 0.267 -0.300) 6.350 55.195 ( -7.913 11.358 -1.526) 13.927 55.898 ( -1.425 -4.647 0.096) 4.861 ======================= Grid point 216 (51/126) ======================= q-point: (-0.38 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( -12.391 1.095 4.007) 13.069 2.433 ( -13.488 3.168 0.445) 13.862 2.839 ( -5.412 -1.429 -3.477) 6.589 4.313 ( -10.027 -2.929 8.097) 13.217 4.814 ( -29.102 -0.507 -1.529) 29.146 5.549 ( -23.880 -5.761 2.328) 24.675 6.259 ( 2.992 6.032 0.292) 6.740 7.039 ( 14.505 3.116 2.199) 14.998 7.308 ( -3.325 -11.168 -1.937) 11.812 7.924 ( -10.515 -1.872 -0.698) 10.703 8.634 ( -2.877 12.683 -0.126) 13.006 9.438 ( 2.745 -6.966 -3.153) 8.124 13.218 ( -39.243 0.080 0.264) 39.244 16.400 ( -14.319 -4.124 -5.717) 15.960 17.678 ( -24.258 -4.387 -4.853) 25.124 21.485 ( -2.312 -0.773 -0.947) 2.615 21.991 ( -2.859 -2.813 3.954) 5.633 22.815 ( 8.447 4.214 0.745) 9.470 23.169 ( 7.413 12.327 0.280) 14.387 24.197 ( 12.610 2.018 -0.172) 12.772 24.699 ( -0.653 -2.134 0.688) 2.336 24.771 ( 0.791 -0.024 -3.883) 3.963 24.928 ( -5.103 -7.756 -2.774) 9.690 25.386 ( 4.194 0.354 -9.980) 10.831 26.318 ( 10.204 -1.285 -0.106) 10.286 27.539 ( 5.789 0.327 -1.164) 5.914 27.706 ( 4.528 1.572 -1.050) 4.907 28.306 ( 5.933 -0.471 -3.939) 7.137 31.320 ( 1.710 4.146 9.359) 10.378 31.805 ( 18.621 -1.287 0.825) 18.683 50.951 ( 0.316 0.517 2.340) 2.417 51.773 ( 14.079 14.394 2.523) 20.292 52.476 ( -3.435 -16.416 -1.013) 16.802 54.673 ( 6.421 -0.037 -0.492) 6.440 55.169 ( -5.577 7.021 -1.759) 9.137 55.799 ( -4.794 -4.697 1.255) 6.828 ======================= Grid point 224 (52/126) ======================= q-point: ( 0.23 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 5.631 8.600 3.090) 10.734 2.631 ( 4.593 5.048 1.369) 6.961 2.911 ( 2.908 1.734 -3.307) 4.733 4.472 ( 3.845 10.897 8.929) 14.604 5.266 ( 10.988 20.048 -1.174) 22.892 5.842 ( 7.088 11.996 0.886) 13.962 6.307 ( 2.817 4.038 0.473) 4.946 6.756 ( -9.696 -13.214 1.048) 16.423 7.365 ( 3.473 5.261 -0.800) 6.355 8.098 ( 5.643 8.504 -0.264) 10.210 8.715 ( -0.703 -0.578 0.117) 0.918 9.330 ( -2.116 -4.990 -1.000) 5.511 13.851 ( 16.564 28.688 0.279) 33.127 16.647 ( 8.716 14.598 -5.482) 17.864 17.957 ( 4.580 9.046 -4.633) 11.148 21.510 ( 0.103 1.683 -1.428) 2.210 21.964 ( -1.878 -3.577 6.041) 7.268 22.739 ( -0.395 -0.496 1.375) 1.514 23.199 ( 0.571 0.553 -1.665) 1.845 24.048 ( -2.224 -4.643 -0.608) 5.184 24.676 ( -2.081 -1.463 0.380) 2.572 24.785 ( 3.099 -0.566 -2.688) 4.141 24.914 ( -2.935 1.528 -1.667) 3.705 25.290 ( -3.328 -6.070 -7.801) 10.430 26.135 ( -4.539 -9.219 0.030) 10.276 27.462 ( -1.574 -2.609 -1.139) 3.253 27.640 ( -2.084 -3.590 -0.972) 4.263 28.202 ( -2.887 -4.946 -4.130) 7.061 31.342 ( 2.341 -2.044 4.884) 5.788 31.495 ( -9.303 -11.277 0.130) 14.620 50.969 ( 1.163 1.906 2.315) 3.216 51.650 ( -4.548 -6.983 2.467) 8.690 52.400 ( -0.735 -3.368 0.854) 3.552 54.560 ( -3.162 -5.396 -0.343) 6.263 55.329 ( 4.550 6.597 -1.739) 8.201 55.827 ( -0.018 2.318 -0.035) 2.318 ======================= Grid point 225 (53/126) ======================= q-point: ( 0.31 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 1.958 8.423 1.798) 8.832 2.700 ( 0.018 2.205 1.592) 2.720 2.960 ( 2.837 -2.561 -1.085) 3.973 4.641 ( 3.149 9.632 8.489) 13.220 5.549 ( 4.734 9.761 -0.316) 10.853 6.042 ( 7.052 4.813 0.108) 8.539 6.388 ( -6.909 9.461 0.773) 11.740 6.517 ( -4.290 -2.355 0.143) 4.896 7.478 ( 8.433 -4.448 -0.127) 9.535 8.272 ( 5.800 6.498 0.265) 8.714 8.616 ( -10.493 2.537 0.100) 10.795 9.277 ( 3.213 -8.273 0.024) 8.875 14.298 ( 4.862 23.124 0.276) 23.631 16.967 ( 10.374 14.261 -5.066) 18.348 18.002 ( 1.221 -8.170 -4.832) 9.570 21.523 ( -0.102 1.100 -1.775) 2.091 21.882 ( -3.630 -1.716 7.087) 8.145 22.809 ( 3.312 8.504 0.349) 9.132 23.158 ( -8.507 4.676 -1.155) 9.776 24.038 ( -0.433 6.070 -0.462) 6.103 24.583 ( -4.729 -4.737 -0.385) 6.704 24.835 ( -1.801 2.421 0.958) 3.166 24.898 ( 6.643 -5.301 -4.390) 9.566 25.175 ( 0.064 -10.641 -6.055) 12.243 25.999 ( 0.049 -9.943 0.098) 9.943 27.438 ( -0.020 0.284 -1.059) 1.097 27.568 ( -2.744 -2.289 -0.981) 3.706 28.121 ( -0.652 -4.789 -4.213) 6.412 31.249 ( -8.814 -0.679 1.234) 8.926 31.389 ( 5.191 -7.324 0.790) 9.011 51.024 ( 1.920 3.228 2.342) 4.426 51.499 ( -11.801 6.313 2.390) 13.595 52.377 ( 9.894 -17.788 1.741) 20.429 54.472 ( -1.883 -3.265 -0.319) 3.782 55.439 ( -1.896 10.696 -1.319) 10.943 55.847 ( 2.308 -2.232 -0.963) 3.352 ======================= Grid point 226 (54/126) ======================= q-point: ( 0.38 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( -4.786 7.388 0.588) 8.822 2.705 ( -0.392 1.247 2.098) 2.471 2.959 ( 1.575 -4.623 -0.344) 4.896 4.732 ( -1.994 5.231 8.557) 10.226 5.635 ( -1.338 2.497 0.167) 2.838 6.142 ( -1.584 -1.635 -0.627) 2.361 6.302 ( 2.893 -0.113 1.669) 3.342 6.531 ( -11.060 18.734 -0.527) 21.762 7.536 ( 8.064 -13.611 0.371) 15.825 8.386 ( -3.140 2.686 -0.041) 4.132 8.497 ( -3.001 7.881 0.663) 8.459 9.261 ( 4.197 -8.039 -0.058) 9.068 14.455 ( -9.344 16.188 0.250) 18.693 17.162 ( -5.259 8.610 -4.787) 11.167 17.941 ( 8.907 -14.687 -4.986) 17.886 21.532 ( 0.054 0.648 -1.890) 1.999 21.835 ( -1.466 1.988 7.549) 7.943 22.972 ( -3.400 15.886 -0.864) 16.269 23.020 ( -5.996 0.531 -0.143) 6.021 24.085 ( -5.902 9.309 -0.289) 11.026 24.495 ( 1.933 -2.422 -0.844) 3.211 24.801 ( -1.942 -0.057 -0.199) 1.953 24.992 ( 4.292 -0.130 -1.547) 4.564 25.095 ( 7.851 -17.038 -6.712) 19.924 25.947 ( 4.652 -8.565 0.037) 9.747 27.450 ( -0.554 1.210 -0.838) 1.572 27.521 ( 0.079 -0.349 -1.182) 1.235 28.091 ( 2.199 -3.780 -4.213) 6.072 31.162 ( -2.612 3.548 0.519) 4.436 31.403 ( 4.432 -7.041 0.445) 8.332 51.067 ( -0.367 0.603 2.379) 2.482 51.418 ( -8.974 15.666 2.365) 18.209 52.374 ( 13.171 -23.206 1.897) 26.750 54.439 ( 0.613 -1.048 -0.321) 1.256 55.473 ( -6.813 11.294 -1.232) 13.247 55.860 ( 3.115 -4.642 -1.117) 5.700 ======================= Grid point 228 (55/126) ======================= q-point: (-0.54 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( -8.307 2.836 1.816) 8.963 2.697 ( -3.103 1.910 1.318) 3.875 2.937 ( -0.071 -2.041 -1.848) 2.754 4.664 ( -8.653 0.063 9.235) 12.656 5.552 ( -10.562 0.485 -0.198) 10.575 6.025 ( -7.195 -2.178 -0.389) 7.528 6.400 ( -8.177 10.950 0.977) 13.701 6.526 ( 7.721 0.369 0.529) 7.748 7.481 ( -0.511 -9.679 -0.040) 9.692 8.261 ( -8.633 -0.697 -0.107) 8.662 8.627 ( 3.027 9.472 0.459) 9.955 9.267 ( 5.153 -6.215 -0.321) 8.080 14.298 ( -22.461 7.355 0.278) 23.636 16.963 ( -17.605 -1.524 -5.210) 18.423 18.010 ( 6.722 -5.770 -4.586) 9.975 21.532 ( -0.470 -0.158 -1.674) 1.746 21.877 ( 3.177 2.784 7.146) 8.302 22.825 ( -8.952 -0.633 0.983) 9.028 23.144 ( 0.028 11.726 -1.730) 11.853 24.030 ( -5.041 3.781 -0.789) 6.350 24.594 ( 6.624 1.606 0.044) 6.816 24.780 ( -1.111 1.234 -2.094) 2.673 24.968 ( 0.819 -8.464 -0.208) 8.506 25.164 ( 9.924 -4.724 -7.202) 13.141 25.992 ( 8.193 -4.423 -0.060) 9.311 27.439 ( -0.233 0.029 -0.990) 1.017 27.567 ( 3.393 1.308 -1.027) 3.778 28.121 ( 4.489 -1.857 -4.206) 6.426 31.228 ( 3.444 7.404 0.566) 8.186 31.405 ( 4.952 -7.817 1.302) 9.345 51.024 ( -3.784 -0.008 2.328) 4.443 51.501 ( 0.567 13.302 2.464) 13.540 52.371 ( 10.007 -17.005 1.525) 19.789 54.472 ( 3.790 -0.025 -0.312) 3.803 55.432 ( -8.572 7.365 -1.534) 11.405 55.857 ( 1.317 -3.834 -0.620) 4.101 ======================= Grid point 239 (56/126) ======================= q-point: ( 0.31 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( 1.774 2.195 2.131) 3.536 2.759 ( 2.035 4.874 0.743) 5.334 2.891 ( -1.687 -3.979 -0.162) 4.325 4.783 ( 1.998 3.960 8.867) 9.914 5.660 ( 1.396 2.471 0.711) 2.926 6.123 ( 3.332 4.197 -0.785) 5.416 6.268 ( -5.515 -7.906 0.218) 9.642 6.843 ( 11.027 18.929 0.269) 21.908 7.303 ( -7.216 -12.300 0.326) 14.264 8.420 ( 4.995 7.964 0.271) 9.405 8.587 ( -3.342 -5.063 0.279) 6.073 9.169 ( -1.254 -2.450 0.339) 2.773 14.627 ( 5.164 8.948 0.608) 10.349 17.290 ( 10.046 17.114 -5.076) 20.484 17.740 ( -9.549 -16.192 -4.856) 19.415 21.536 ( 0.025 0.244 -2.175) 2.189 21.859 ( -0.265 -0.610 7.398) 7.428 23.015 ( 5.595 10.488 -0.131) 11.888 23.171 ( -1.617 -3.511 -0.985) 3.989 24.210 ( 6.156 9.819 -0.645) 11.607 24.455 ( -5.206 -7.939 -0.279) 9.498 24.782 ( -0.717 -4.204 -6.534) 7.803 24.899 ( -0.643 3.615 0.003) 3.672 24.999 ( -2.782 -6.741 -1.660) 7.479 25.854 ( -2.238 -4.020 -0.083) 4.602 27.464 ( 1.099 2.014 -0.865) 2.452 27.520 ( -1.348 -2.437 -0.839) 2.908 28.050 ( -1.174 -2.024 -4.382) 4.968 31.237 ( 0.220 -0.533 0.064) 0.580 31.294 ( -1.778 -2.254 0.523) 2.918 51.071 ( 0.742 1.278 2.410) 2.827 51.673 ( 5.744 10.067 2.309) 11.818 52.046 ( -8.113 -14.237 2.023) 16.511 54.429 ( -0.638 -1.102 -0.324) 1.314 55.619 ( 4.287 7.060 -1.317) 8.364 55.780 ( -2.647 -4.158 -1.093) 5.048 ======================= Grid point 362 (57/126) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 0.000 -0.000 28.269) 28.269 1.291 ( 0.000 0.000 28.269) 28.269 2.181 ( 0.000 0.000 48.771) 48.771 2.789 ( -0.000 -0.000 -12.751) 12.751 2.789 ( 0.000 0.000 -12.751) 12.751 4.652 ( 0.000 0.000 -25.362) 25.362 6.997 ( 0.000 -0.000 0.049) 0.049 6.997 ( 0.000 0.000 0.049) 0.049 7.373 ( 0.000 -0.000 -0.331) 0.331 7.373 ( -0.000 0.000 -0.331) 0.331 7.580 ( 0.000 0.000 2.413) 2.413 9.634 ( 0.000 -0.000 0.544) 0.544 10.405 ( 0.000 0.000 1.053) 1.053 15.630 ( 0.000 -0.000 -9.616) 9.616 15.630 ( 0.000 -0.000 -9.616) 9.616 20.807 ( 0.000 -0.000 2.061) 2.061 20.807 ( 0.000 -0.000 2.061) 2.061 21.298 ( 0.000 -0.000 0.009) 0.009 24.330 ( -0.000 -0.000 -1.292) 1.292 24.330 ( 0.000 0.000 -1.292) 1.292 24.595 ( 0.000 -0.000 1.370) 1.370 24.595 ( 0.000 0.000 1.370) 1.370 25.453 ( 0.000 -0.000 0.498) 0.498 25.453 ( 0.000 0.000 0.498) 0.498 26.975 ( 0.000 0.000 -0.201) 0.201 27.936 ( 0.000 -0.000 -1.494) 1.494 27.936 ( 0.000 -0.000 -1.494) 1.494 28.622 ( 0.000 0.000 -3.581) 3.581 33.176 ( -0.000 0.000 -0.171) 0.171 33.869 ( 0.000 -0.000 -0.101) 0.101 51.141 ( 0.000 -0.000 3.249) 3.249 51.141 ( 0.000 0.000 3.249) 3.249 54.096 ( 0.000 0.000 0.644) 0.644 54.677 ( 0.000 -0.000 -1.361) 1.361 54.677 ( 0.000 0.000 -1.361) 1.361 55.301 ( 0.000 0.000 -0.583) 0.583 ======================= Grid point 363 (58/126) ======================= q-point: ( 0.08 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 13.626 7.867 20.692) 25.994 1.524 ( 14.834 8.564 22.947) 28.635 2.312 ( 10.443 6.029 40.019) 41.796 2.864 ( 9.303 5.371 -11.883) 16.019 3.082 ( 22.811 13.170 -9.776) 28.096 4.399 ( -14.167 -8.179 -12.550) 20.618 6.857 ( -9.714 -5.609 0.179) 11.219 7.140 ( 0.742 0.428 -3.279) 3.389 7.489 ( 7.606 4.392 -0.372) 8.791 7.581 ( 1.383 0.798 2.053) 2.601 7.747 ( 33.511 19.347 -9.162) 39.765 9.365 ( -20.407 -11.782 1.768) 23.630 10.639 ( 19.857 11.464 1.015) 22.951 15.661 ( 2.820 1.628 -9.295) 9.849 15.776 ( 12.300 7.101 -9.409) 17.037 20.956 ( 10.652 6.150 1.030) 12.343 21.323 ( 2.461 1.421 0.247) 2.852 21.437 ( 47.076 27.179 -15.612) 56.556 24.180 ( -10.613 -6.127 -0.175) 12.256 24.277 ( -6.430 -3.712 -1.475) 7.570 24.598 ( -0.494 -0.285 0.869) 1.040 24.602 ( 1.368 0.790 1.058) 1.901 25.396 ( -5.115 -2.953 0.368) 5.917 25.443 ( -0.767 -0.443 -0.281) 0.929 26.924 ( -4.274 -2.468 -0.194) 4.939 27.909 ( -2.441 -1.409 -1.496) 3.191 27.917 ( -1.619 -0.935 -1.463) 2.374 28.590 ( -2.753 -1.590 -3.638) 4.832 33.057 ( -10.553 -6.093 0.416) 12.193 33.418 ( -32.825 -18.951 15.125) 40.809 51.132 ( -0.859 -0.496 3.220) 3.369 51.350 ( 15.699 9.064 -2.220) 18.263 53.649 ( -26.669 -15.398 1.406) 30.827 54.680 ( 0.362 0.209 -1.332) 1.396 55.001 ( 16.950 9.786 0.575) 19.580 55.276 ( -2.113 -1.220 -0.574) 2.507 ======================= Grid point 364 (59/126) ======================= q-point: ( 0.15 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 15.810 9.128 11.354) 21.499 1.858 ( 13.023 7.519 13.362) 20.116 2.557 ( 9.315 5.378 19.367) 22.153 3.213 ( 20.792 12.004 -7.728) 25.222 3.762 ( 32.568 18.803 -3.577) 37.776 4.226 ( 1.656 0.956 -1.707) 2.563 6.620 ( -10.508 -6.067 0.379) 12.139 7.096 ( -3.078 -1.777 -0.852) 3.654 7.615 ( 2.213 1.278 1.429) 2.928 7.660 ( 6.973 4.026 -0.392) 8.061 8.551 ( 32.345 18.674 -12.515) 39.390 8.864 ( -21.252 -12.270 -0.509) 24.545 11.257 ( 32.923 19.008 0.887) 38.026 15.763 ( 6.269 3.619 -8.564) 11.214 16.167 ( 21.532 12.432 -8.615) 26.313 21.217 ( 9.095 5.251 -0.998) 10.549 21.460 ( 11.979 6.916 0.939) 13.864 22.471 ( 35.693 20.607 -22.524) 46.968 23.861 ( -16.908 -9.762 0.970) 19.547 24.117 ( -4.232 -2.443 -4.355) 6.546 24.571 ( -1.924 -1.111 0.728) 2.337 24.650 ( 2.698 1.557 0.309) 3.130 25.229 ( -9.256 -5.344 0.135) 10.689 25.410 ( -2.407 -1.390 -1.977) 3.410 26.792 ( -6.958 -4.017 -0.325) 8.041 27.829 ( -4.499 -2.597 -1.463) 5.397 27.862 ( -3.222 -1.860 -1.435) 3.987 28.503 ( -4.623 -2.669 -3.820) 6.565 32.604 ( -28.465 -16.434 24.658) 41.089 32.785 ( -19.021 -10.982 1.779) 22.036 51.103 ( -1.630 -0.941 3.185) 3.700 51.716 ( 13.886 8.017 -4.641) 16.692 53.078 ( -21.560 -12.448 0.450) 24.899 54.693 ( 0.736 0.425 -1.291) 1.546 55.194 ( -3.998 -2.308 -0.355) 4.630 55.344 ( 12.191 7.039 2.781) 14.349 ======================= Grid point 365 (60/126) ======================= q-point: ( 0.23 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 8.215 4.743 6.221) 11.344 2.166 ( 16.817 9.709 5.717) 20.243 2.718 ( 5.187 2.995 3.845) 7.117 3.762 ( 26.136 15.090 -3.821) 30.420 4.150 ( 6.766 3.906 1.661) 7.987 4.740 ( 35.017 20.217 3.652) 40.599 6.390 ( -9.619 -5.554 0.497) 11.119 7.024 ( -3.067 -1.771 0.519) 3.579 7.691 ( 4.635 2.676 0.177) 5.355 7.797 ( 4.973 2.871 -0.348) 5.752 8.435 ( -15.841 -9.146 -0.529) 18.300 9.163 ( 20.849 12.037 -9.592) 25.915 12.060 ( 35.859 20.703 0.593) 41.411 15.954 ( 10.668 6.159 -7.656) 14.504 16.726 ( 26.749 15.443 -7.661) 31.823 21.345 ( 3.811 2.201 -0.890) 4.490 21.851 ( 19.636 11.337 -0.659) 22.684 22.819 ( -4.436 -2.561 -4.625) 6.902 23.440 ( -19.247 -11.112 1.987) 22.313 24.269 ( 17.203 9.932 -14.685) 24.703 24.494 ( -5.560 -3.210 0.899) 6.483 24.721 ( 3.582 2.068 -0.255) 4.144 25.003 ( -9.553 -5.515 -0.079) 11.031 25.326 ( -4.903 -2.831 -3.579) 6.698 26.627 ( -7.044 -4.067 -0.643) 8.159 27.711 ( -5.624 -3.247 -1.404) 6.645 27.770 ( -4.789 -2.765 -1.516) 5.733 28.391 ( -4.966 -2.867 -4.091) 7.044 32.054 ( -19.421 -11.213 22.116) 31.497 32.349 ( -19.088 -11.021 -0.740) 22.054 51.061 ( -2.019 -1.166 3.157) 3.924 51.853 ( -4.281 -2.472 -0.157) 4.946 52.789 ( -1.191 -0.688 -2.380) 2.749 54.712 ( 0.932 0.538 -1.251) 1.651 55.069 ( -6.695 -3.865 -0.302) 7.736 55.590 ( 9.343 5.394 2.584) 11.094 ======================= Grid point 366 (61/126) ======================= q-point: ( 0.31 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 4.828 2.788 2.716) 6.202 2.517 ( 12.584 7.265 4.449) 15.196 2.823 ( 5.027 2.902 -4.898) 7.595 4.307 ( 7.245 4.183 7.337) 11.128 4.356 ( 25.327 14.622 -1.887) 29.306 5.469 ( 27.176 15.690 3.311) 31.554 6.179 ( -9.036 -5.217 0.453) 10.444 6.958 ( -2.821 -1.629 2.114) 3.883 7.834 ( 7.645 4.414 -1.278) 8.919 7.886 ( 2.931 1.692 -0.269) 3.395 8.149 ( -8.711 -5.029 -0.901) 10.099 9.507 ( 9.652 5.572 -4.945) 12.193 12.815 ( 29.086 16.793 0.008) 33.585 16.250 ( 15.113 8.725 -6.677) 18.685 17.347 ( 26.833 15.492 -6.880) 31.739 21.420 ( 2.840 1.640 -0.447) 3.310 22.265 ( 14.770 8.528 -2.389) 17.221 22.519 ( -17.408 -10.050 4.977) 20.708 23.037 ( -14.465 -8.351 2.816) 16.938 24.292 ( -11.909 -6.876 0.784) 13.774 24.629 ( 7.879 4.549 -7.971) 12.095 24.840 ( -4.451 -2.570 0.208) 5.144 24.842 ( 7.848 4.531 -4.754) 10.234 25.228 ( -1.135 -0.655 -6.761) 6.887 26.488 ( -4.974 -2.872 -0.929) 5.818 27.582 ( -5.500 -3.175 -1.336) 6.490 27.649 ( -5.581 -3.222 -1.874) 6.711 28.288 ( -3.911 -2.258 -4.299) 6.236 31.669 ( -15.755 -9.096 10.938) 21.227 31.973 ( -12.570 -7.257 1.892) 14.638 51.015 ( -1.940 -1.120 3.145) 3.861 51.597 ( -14.394 -8.311 2.193) 16.765 52.959 ( 12.565 7.255 -1.892) 14.632 54.733 ( 0.912 0.526 -1.222) 1.613 54.892 ( -8.739 -5.046 -0.103) 10.092 55.771 ( 6.577 3.797 1.074) 7.670 ======================= Grid point 367 (62/126) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 2.240 1.293 1.250) 2.873 2.688 ( 2.933 1.693 2.668) 4.311 2.971 ( 6.839 3.948 -5.317) 9.520 4.475 ( 7.272 4.198 8.891) 12.229 4.894 ( 21.612 12.478 -0.931) 24.973 5.950 ( 15.179 8.763 2.059) 17.647 5.968 ( -9.847 -5.685 0.216) 11.373 6.890 ( -3.189 -1.841 4.158) 5.554 7.902 ( -2.992 -1.728 -0.968) 3.588 7.934 ( 1.369 0.790 -0.188) 1.592 8.160 ( 9.955 5.747 -1.152) 11.553 9.621 ( 0.959 0.554 -2.548) 2.778 13.346 ( 17.158 9.906 -0.778) 19.828 16.609 ( 15.159 8.752 -5.760) 18.428 17.902 ( 20.856 12.041 -6.541) 24.954 21.473 ( 1.841 1.063 0.115) 2.129 22.140 ( -14.420 -8.325 8.989) 18.922 22.409 ( -2.596 -1.499 -1.627) 3.411 22.894 ( 2.437 1.407 1.160) 3.044 24.002 ( -12.153 -7.017 0.434) 14.040 24.624 ( -5.228 -3.018 -1.771) 6.291 24.783 ( -1.103 -0.637 0.829) 1.520 24.944 ( 1.610 0.929 -3.203) 3.704 25.371 ( 10.421 6.017 -12.173) 17.116 26.402 ( -2.726 -1.574 -0.870) 3.266 27.471 ( -4.055 -2.341 -1.282) 4.855 27.530 ( -4.522 -2.611 -2.504) 5.791 28.217 ( -2.313 -1.335 -4.364) 5.116 31.329 ( -13.183 -7.611 3.873) 15.708 31.786 ( -4.647 -2.683 2.585) 5.956 50.976 ( -1.418 -0.819 3.149) 3.549 51.298 ( -10.893 -6.289 2.643) 12.853 53.262 ( 12.849 7.418 0.026) 14.836 54.682 ( -9.335 -5.390 -0.057) 10.780 54.752 ( 0.687 0.396 -1.209) 1.446 55.892 ( 4.119 2.378 -0.359) 4.770 ======================= Grid point 368 (63/126) ======================= q-point: ( 0.46 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( -0.004 -0.003 0.822) 0.822 2.701 ( -1.199 -0.692 0.731) 1.565 3.068 ( 1.096 0.633 -1.961) 2.334 4.626 ( 5.498 3.174 7.598) 9.902 5.334 ( 17.070 9.856 -0.339) 19.714 5.718 ( -12.332 -7.120 -0.192) 14.241 6.173 ( 4.470 2.581 1.342) 5.333 6.834 ( -0.821 -0.474 5.369) 5.452 7.842 ( -1.599 -0.923 -0.365) 1.882 7.953 ( 0.369 0.213 -0.137) 0.448 8.380 ( 6.505 3.755 -1.006) 7.578 9.592 ( -2.288 -1.321 -1.677) 3.129 13.599 ( 5.376 3.104 -1.332) 6.349 16.872 ( 6.551 3.782 -5.208) 9.184 18.248 ( 8.576 4.951 -6.682) 11.946 21.504 ( 0.913 0.527 0.644) 1.235 21.908 ( -5.271 -3.043 11.143) 12.697 22.322 ( -2.171 -1.253 -0.237) 2.518 22.974 ( 1.792 1.034 -0.991) 2.294 23.794 ( -5.153 -2.975 0.313) 5.958 24.501 ( -3.844 -2.219 -1.618) 4.724 24.773 ( 0.034 0.020 1.202) 1.203 24.976 ( 1.215 0.702 -2.058) 2.490 25.557 ( 4.829 2.788 -12.619) 13.796 26.357 ( -1.366 -0.789 -0.419) 1.633 27.405 ( -1.579 -0.911 -1.246) 2.208 27.458 ( -1.548 -0.894 -3.058) 3.543 28.182 ( -0.741 -0.428 -4.373) 4.456 31.108 ( -5.737 -3.312 2.276) 7.004 31.727 ( -0.940 -0.542 1.137) 1.572 50.953 ( -0.580 -0.335 3.164) 3.234 51.126 ( -3.904 -2.254 2.821) 5.318 53.489 ( 5.546 3.202 1.440) 6.564 54.505 ( -4.914 -2.837 -0.306) 5.682 54.764 ( 0.313 0.181 -1.213) 1.266 55.961 ( 1.968 1.136 -1.233) 2.585 ======================= Grid point 369 (64/126) ======================= q-point: (-0.46 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( -2.123 -1.226 1.053) 2.668 2.642 ( -3.912 -2.258 0.974) 4.620 3.023 ( -4.600 -2.656 -1.063) 5.417 4.697 ( 0.222 0.128 6.712) 6.717 5.394 ( -16.079 -9.283 -0.975) 18.592 5.677 ( 13.019 7.517 0.269) 15.036 6.161 ( -5.032 -2.905 1.765) 6.073 6.875 ( 4.094 2.364 4.697) 6.664 7.831 ( 0.512 0.296 -0.279) 0.654 7.953 ( -0.371 -0.214 -0.136) 0.450 8.380 ( -6.672 -3.852 -1.047) 7.775 9.569 ( 0.574 0.331 -1.451) 1.595 13.598 ( -5.447 -3.145 -1.323) 6.427 16.869 ( -6.795 -3.923 -5.180) 9.402 18.264 ( -7.284 -4.205 -6.891) 10.873 21.516 ( 0.074 0.043 0.531) 0.538 21.920 ( 6.473 3.737 11.319) 13.564 22.351 ( 4.526 2.613 -0.503) 5.250 22.934 ( -5.174 -2.987 -0.602) 6.005 23.795 ( 5.300 3.060 0.298) 6.127 24.485 ( 2.425 1.400 -1.658) 3.254 24.778 ( 0.361 0.208 1.150) 1.223 25.000 ( 1.026 0.593 -1.984) 2.311 25.567 ( -4.327 -2.498 -13.435) 14.335 26.340 ( -0.007 -0.004 0.049) 0.049 27.402 ( 1.312 0.758 -1.219) 1.945 27.465 ( 2.099 1.212 -3.105) 3.939 28.182 ( 0.747 0.431 -4.404) 4.488 31.078 ( 3.105 1.792 2.629) 4.445 31.737 ( 1.896 1.094 1.067) 2.435 50.950 ( 0.385 0.222 3.184) 3.215 51.127 ( 4.016 2.318 2.810) 5.422 53.460 ( -8.004 -4.621 1.735) 9.404 54.509 ( 5.153 2.975 -0.350) 5.960 54.766 ( -0.127 -0.074 -1.232) 1.241 55.982 ( -0.078 -0.045 -1.447) 1.450 ======================= Grid point 370 (65/126) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -4.326 -2.498 1.916) 5.350 2.517 ( -7.320 -4.226 2.856) 8.922 2.887 ( -6.616 -3.820 -2.773) 8.127 4.624 ( -6.453 -3.726 7.097) 10.290 4.979 ( -20.331 -11.738 -1.741) 23.541 5.941 ( 10.421 6.016 0.510) 12.043 5.956 ( -13.386 -7.728 2.314) 15.629 6.986 ( 4.880 2.818 2.964) 6.367 7.850 ( 0.346 0.200 -0.569) 0.696 7.934 ( -1.342 -0.775 -0.190) 1.561 8.149 ( -10.642 -6.144 -1.102) 12.337 9.586 ( -0.176 -0.101 -2.228) 2.237 13.344 ( -17.120 -9.884 -0.765) 19.784 16.601 ( -15.353 -8.864 -5.683) 18.617 17.937 ( -20.554 -11.867 -6.954) 24.731 21.503 ( -1.237 -0.714 -0.156) 1.436 22.191 ( 16.664 9.621 9.434) 21.430 22.429 ( -3.543 -2.045 -2.177) 4.634 22.840 ( 2.845 1.642 2.037) 3.865 24.012 ( 12.744 7.358 0.313) 14.719 24.576 ( 4.134 2.387 -2.040) 5.191 24.791 ( 0.875 0.505 0.770) 1.270 25.042 ( 3.263 1.884 -2.100) 4.314 25.351 ( -14.665 -8.467 -15.024) 22.638 26.365 ( 2.426 1.401 0.082) 2.803 27.463 ( 3.865 2.231 -1.208) 4.623 27.547 ( 4.816 2.781 -2.612) 6.144 28.216 ( 2.281 1.317 -4.441) 5.164 31.235 ( 10.162 5.867 5.070) 12.783 31.828 ( 6.576 3.797 2.211) 7.909 50.969 ( 1.261 0.728 3.204) 3.519 51.306 ( 11.505 6.642 2.557) 13.529 53.181 ( -15.149 -8.746 0.961) 17.519 54.685 ( 9.104 5.256 -0.132) 10.513 54.758 ( -0.540 -0.312 -1.261) 1.407 55.955 ( -2.379 -1.373 -1.053) 2.942 ======================= Grid point 371 (66/126) ======================= q-point: (-0.31 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -6.839 -3.948 3.699) 8.720 2.304 ( -11.233 -6.485 5.885) 14.243 2.750 ( -5.144 -2.970 -4.010) 7.166 4.426 ( -10.248 -5.917 6.890) 13.693 4.473 ( -23.835 -13.761 -2.820) 27.666 5.510 ( -26.402 -15.243 2.821) 30.616 6.165 ( 9.504 5.487 0.615) 10.991 7.083 ( 3.769 2.176 0.698) 4.408 7.777 ( -5.960 -3.441 -0.869) 6.937 7.887 ( -2.893 -1.670 -0.279) 3.353 8.051 ( 2.183 1.260 0.041) 2.521 9.524 ( -5.683 -3.281 -5.079) 8.298 12.815 ( -29.030 -16.760 0.012) 33.521 16.240 ( -15.063 -8.696 -6.593) 18.600 17.379 ( -27.267 -15.742 -7.224) 32.303 21.460 ( -2.541 -1.467 -0.896) 3.068 22.127 ( -19.014 -10.978 -0.456) 21.960 22.639 ( 21.544 12.438 6.032) 25.598 23.126 ( 18.331 10.583 1.404) 21.213 24.316 ( 12.479 7.205 0.545) 14.419 24.598 ( -4.974 -2.872 -8.288) 10.083 24.834 ( 3.573 2.063 0.292) 4.136 24.919 ( -20.008 -11.552 -9.950) 25.155 25.167 ( 6.741 3.892 -4.517) 8.999 26.454 ( 5.376 3.104 0.019) 6.207 27.571 ( 5.436 3.139 -1.237) 6.398 27.669 ( 5.568 3.215 -1.995) 6.732 28.287 ( 3.877 2.238 -4.378) 6.262 31.521 ( 14.822 8.558 11.521) 20.632 32.055 ( 13.431 7.755 2.549) 15.717 51.006 ( 1.855 1.071 3.224) 3.871 51.634 ( 16.599 9.584 1.793) 19.251 52.816 ( -15.863 -9.159 -0.016) 18.317 54.742 ( -0.837 -0.483 -1.296) 1.617 54.890 ( 8.514 4.915 -0.124) 9.831 55.869 ( -5.347 -3.087 -0.252) 6.179 ======================= Grid point 372 (67/126) ======================= q-point: (-0.23 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( -9.840 -5.681 7.165) 13.433 2.027 ( -12.402 -7.160 10.103) 17.525 2.649 ( -4.118 -2.378 -0.246) 4.762 3.911 ( -24.969 -14.416 -4.506) 29.182 4.188 ( -10.631 -6.138 4.739) 13.158 4.775 ( -36.004 -20.787 2.151) 41.630 6.385 ( 9.945 5.742 0.557) 11.497 7.170 ( 4.056 2.341 -1.319) 4.865 7.667 ( -3.492 -2.016 0.396) 4.051 7.798 ( -4.965 -2.866 -0.366) 5.744 8.140 ( 3.678 2.124 0.957) 4.354 9.333 ( -10.164 -5.868 -9.721) 15.239 12.061 ( -35.861 -20.704 0.593) 41.413 15.948 ( -10.393 -6.000 -7.628) 14.220 16.745 ( -27.369 -15.802 -7.859) 32.566 21.386 ( -4.319 -2.493 -1.967) 5.361 21.668 ( -19.624 -11.330 2.039) 22.752 23.087 ( 13.583 7.842 -1.696) 15.775 23.575 ( 19.932 11.508 0.425) 23.019 24.130 ( -28.987 -16.736 -21.592) 39.832 24.519 ( 4.910 2.835 0.696) 5.712 24.698 ( -2.886 -1.666 0.931) 3.460 24.984 ( 9.456 5.459 0.113) 10.919 25.319 ( 5.736 3.311 -3.147) 7.333 26.605 ( 7.648 4.416 0.082) 8.832 27.700 ( 5.689 3.284 -1.307) 6.698 27.787 ( 4.567 2.637 -1.628) 5.519 28.389 ( 4.981 2.876 -4.132) 7.082 31.929 ( 21.774 12.571 20.682) 32.556 32.419 ( 17.692 10.214 2.028) 20.529 51.051 ( 2.032 1.173 3.244) 4.004 51.952 ( 4.930 2.847 -2.185) 6.098 52.572 ( 0.641 0.370 1.828) 1.972 54.721 ( -0.950 -0.548 -1.331) 1.724 55.063 ( 6.639 3.833 -0.225) 7.669 55.704 ( -9.317 -5.379 0.495) 10.770 ======================= Grid point 373 (68/126) ======================= q-point: (-0.15 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -12.710 -7.338 13.544) 19.971 1.763 ( -10.580 -6.108 16.568) 20.585 2.535 ( -6.668 -3.850 12.519) 14.697 3.371 ( -21.561 -12.448 -7.306) 25.946 3.712 ( -35.303 -20.382 0.874) 40.774 4.237 ( -3.443 -1.988 -2.477) 4.684 6.620 ( 10.663 6.156 0.379) 12.318 7.254 ( 2.680 1.548 -3.319) 4.538 7.608 ( -1.798 -1.038 1.455) 2.535 7.661 ( -7.010 -4.047 -0.407) 8.105 8.090 ( -11.875 -6.856 -2.813) 13.998 9.181 ( 0.866 0.500 -8.178) 8.239 11.257 ( -32.940 -19.018 0.887) 38.046 15.763 ( -6.051 -3.493 -8.610) 11.089 16.174 ( -22.006 -12.705 -8.700) 26.859 21.165 ( -14.843 -8.570 -0.328) 17.142 21.383 ( -4.687 -2.706 1.618) 5.649 22.742 ( -45.135 -26.059 -27.703) 59.023 23.902 ( 10.365 5.984 -1.165) 12.025 23.992 ( 15.903 9.182 -0.415) 18.368 24.574 ( 0.861 0.497 0.737) 1.238 24.650 ( -1.696 -0.979 0.598) 2.047 25.213 ( 9.540 5.508 0.321) 11.021 25.414 ( 2.688 1.552 -1.932) 3.656 26.783 ( 7.447 4.299 0.033) 8.599 27.820 ( 4.653 2.686 -1.389) 5.549 27.873 ( 2.949 1.703 -1.520) 3.729 28.502 ( 4.657 2.689 -3.830) 6.602 32.535 ( 30.779 17.770 22.885) 42.271 32.826 ( 17.993 10.388 4.446) 21.247 51.095 ( 1.746 1.008 3.259) 3.832 51.751 ( -16.561 -9.562 -5.845) 19.996 52.948 ( 26.249 15.155 4.164) 30.594 54.700 ( -0.845 -0.488 -1.358) 1.672 55.189 ( 4.263 2.461 -0.256) 4.929 55.437 ( -14.233 -8.218 0.337) 16.439 ======================= Grid point 374 (69/126) ======================= q-point: (-0.08 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -10.624 -6.134 22.745) 25.842 1.523 ( -11.719 -6.766 23.081) 26.756 2.323 ( -10.903 -6.295 37.334) 39.400 2.969 ( -13.143 -7.588 -10.714) 18.577 2.997 ( -21.618 -12.481 -9.475) 26.700 4.394 ( 14.368 8.296 -12.147) 20.562 6.858 ( 9.714 5.608 0.160) 11.218 7.244 ( -6.263 -3.616 -6.772) 9.908 7.489 ( -7.654 -4.419 -0.376) 8.846 7.575 ( -6.153 -3.552 0.994) 7.174 7.611 ( -18.299 -10.565 -3.282) 21.383 9.405 ( 15.169 8.758 0.182) 17.516 10.639 ( -19.862 -11.467 1.015) 22.957 15.663 ( -2.845 -1.643 -9.357) 9.917 15.775 ( -12.445 -7.185 -9.404) 17.174 20.884 ( -8.395 -4.847 1.823) 9.863 21.318 ( -1.727 -0.997 0.232) 2.008 21.533 ( -52.598 -30.367 -17.079) 63.090 24.179 ( 10.547 6.089 -0.145) 12.180 24.269 ( 7.815 4.512 -1.254) 9.111 24.583 ( 0.251 0.145 1.199) 1.233 24.618 ( -1.216 -0.702 0.781) 1.606 25.388 ( 5.459 3.152 0.482) 6.322 25.450 ( 0.642 0.371 -0.351) 0.821 26.923 ( 4.453 2.571 -0.131) 5.143 27.905 ( 2.638 1.523 -1.457) 3.377 27.922 ( 1.385 0.800 -1.504) 2.195 28.589 ( 2.766 1.597 -3.639) 4.841 33.053 ( 11.261 6.501 0.617) 13.018 33.416 ( 32.715 18.888 15.126) 40.692 51.127 ( 1.055 0.609 3.262) 3.482 51.355 ( -16.097 -9.294 -2.304) 18.730 53.610 ( 29.964 17.300 2.802) 34.713 54.684 ( -0.540 -0.312 -1.370) 1.505 55.033 ( -19.546 -11.285 -0.646) 22.579 55.276 ( 2.003 1.156 -0.600) 2.389 ======================= Grid point 376 (70/126) ======================= q-point: ( 0.08 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 12.282 12.805 13.940) 22.564 1.731 ( 9.768 10.302 17.919) 22.861 2.490 ( 5.348 8.773 21.055) 23.428 3.174 ( 6.035 23.686 -7.788) 25.654 3.526 ( 21.736 31.764 -3.462) 38.645 4.236 ( -2.257 -3.761 -4.377) 6.197 6.698 ( -5.534 -9.703 0.377) 11.176 7.184 ( -7.196 2.156 -3.309) 8.209 7.566 ( 2.980 2.030 0.762) 3.685 7.601 ( 1.250 1.617 1.666) 2.636 8.212 ( 28.930 21.843 -9.294) 37.422 9.104 ( -15.829 -9.228 -2.988) 18.565 11.065 ( 17.642 30.574 0.937) 35.311 15.725 ( 2.718 4.835 -8.848) 10.443 16.047 ( 11.310 19.918 -8.857) 24.558 21.110 ( 10.338 11.074 0.076) 15.149 21.373 ( 4.213 4.037 1.024) 5.924 22.354 ( 20.542 54.207 -26.410) 63.701 23.964 ( -9.056 -14.544 0.587) 17.144 24.115 ( -3.729 -12.489 -1.640) 13.136 24.582 ( -0.319 -0.847 0.740) 1.169 24.636 ( 0.802 1.904 0.511) 2.128 25.272 ( -4.607 -9.137 0.303) 10.237 25.431 ( -1.009 -1.264 -1.535) 2.230 26.829 ( -3.696 -6.962 -0.132) 7.883 27.848 ( -2.241 -4.456 -1.447) 5.193 27.888 ( -1.680 -2.215 -1.467) 3.143 28.530 ( -2.482 -4.339 -3.764) 6.258 32.748 ( -14.177 -29.200 17.781) 37.011 32.924 ( -13.536 -20.578 8.158) 25.947 51.108 ( -0.606 -1.726 3.217) 3.701 51.640 ( 9.295 18.010 -5.321) 20.954 53.155 ( -12.028 -29.854 2.745) 32.302 54.699 ( 0.514 1.389 -1.541) 2.138 55.228 ( -0.975 -3.468 -0.474) 3.633 55.292 ( 4.439 16.215 1.444) 16.874 ======================= Grid point 377 (71/126) ======================= q-point: ( 0.15 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 11.740 9.783 9.739) 18.121 2.013 ( 12.560 9.923 6.830) 17.403 2.646 ( 5.717 3.210 7.116) 9.676 3.619 ( 15.504 26.894 -4.707) 31.398 4.089 ( 8.656 10.055 -0.294) 13.271 4.456 ( 23.208 25.972 3.012) 34.960 6.501 ( -8.190 -5.956 0.485) 10.138 7.090 ( -5.528 0.981 -1.037) 5.710 7.597 ( 4.162 -7.574 0.731) 8.673 7.676 ( 5.208 1.734 0.539) 5.515 8.683 ( -5.547 -2.629 3.978) 7.314 8.935 ( 12.228 16.408 -15.506) 25.675 11.781 ( 27.386 32.947 0.759) 42.850 15.859 ( 6.884 6.166 -8.097) 12.287 16.525 ( 18.874 23.047 -7.924) 30.825 21.311 ( 3.731 4.562 -1.321) 6.040 21.628 ( 16.509 10.358 1.388) 19.539 22.988 ( -0.277 24.818 -14.079) 28.534 23.605 ( -15.206 -14.793 1.490) 21.267 24.054 ( 11.826 -1.825 -10.482) 15.908 24.537 ( -3.270 -2.752 0.755) 4.340 24.686 ( 2.629 1.822 0.024) 3.199 25.070 ( -7.048 -9.758 0.072) 12.037 25.381 ( -3.361 -1.793 -3.008) 4.854 26.674 ( -5.420 -7.795 -0.341) 9.500 27.745 ( -3.847 -5.502 -1.439) 6.866 27.821 ( -3.440 -2.425 -1.425) 4.444 28.428 ( -3.830 -4.829 -4.020) 7.358 32.205 ( -15.544 -21.314 24.702) 36.140 32.512 ( -15.599 -16.502 -0.307) 22.710 51.074 ( -1.256 -1.890 3.151) 3.883 51.924 ( 2.280 12.359 -3.015) 12.924 52.717 ( -5.024 -22.218 0.491) 22.785 54.721 ( 0.007 1.766 -1.581) 2.371 55.148 ( -4.493 -2.216 -0.792) 5.072 55.515 ( 6.446 9.416 2.823) 11.755 ======================= Grid point 378 (72/126) ======================= q-point: ( 0.23 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 5.584 6.321 4.553) 9.585 2.369 ( 14.265 10.215 3.645) 17.920 2.755 ( 5.107 1.125 -1.769) 5.521 4.182 ( 18.393 25.521 -1.702) 31.505 4.265 ( 5.517 8.560 4.926) 11.313 5.182 ( 26.934 22.867 3.550) 35.509 6.307 ( -9.419 -2.772 0.462) 9.830 7.011 ( -4.754 0.207 0.891) 4.841 7.585 ( 8.358 -14.731 -0.647) 16.949 7.811 ( 7.380 4.200 -0.275) 8.496 8.472 ( -16.727 8.976 -0.453) 18.988 9.333 ( 15.514 4.899 -6.717) 17.602 12.574 ( 26.645 30.585 0.390) 40.566 16.089 ( 12.296 7.634 -7.268) 16.196 17.108 ( 22.096 22.114 -7.000) 32.035 21.393 ( 2.465 2.578 -0.826) 3.662 22.017 ( 16.669 5.518 0.876) 17.580 22.892 ( -20.422 7.869 -0.221) 21.887 23.189 ( -15.927 -13.256 2.411) 20.861 24.388 ( -7.098 -7.606 -0.164) 10.405 24.435 ( 19.647 6.569 -13.979) 24.992 24.755 ( 3.827 0.806 -1.036) 4.046 24.891 ( -4.194 -4.221 0.152) 5.953 25.280 ( -5.649 -2.072 -4.485) 7.505 26.510 ( -4.212 -7.787 -0.672) 8.879 27.618 ( -4.290 -5.633 -1.438) 7.225 27.723 ( -5.229 -2.212 -1.518) 5.877 28.315 ( -3.499 -4.713 -4.305) 7.280 31.816 ( -12.227 -11.874 16.601) 23.792 32.087 ( -14.062 -15.211 -0.345) 20.718 51.032 ( -1.483 -1.481 3.098) 3.740 51.827 ( -17.467 -0.597 1.730) 17.562 52.691 ( 16.883 -8.204 -1.922) 18.869 54.723 ( -0.719 -0.833 -1.174) 1.609 55.041 ( -7.539 2.002 -0.915) 7.854 55.696 ( 6.401 4.967 1.849) 8.311 ======================= Grid point 379 (73/126) ======================= q-point: ( 0.31 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 1.952 5.524 1.933) 6.170 2.636 ( 6.784 4.568 3.761) 9.001 2.875 ( 7.696 2.527 -6.080) 10.128 4.433 ( 5.183 8.566 9.248) 13.630 4.741 ( 17.109 23.234 -1.569) 28.897 5.751 ( 18.928 12.096 2.561) 22.609 6.120 ( -10.769 -0.610 0.254) 10.789 6.915 ( -4.510 -4.123 2.948) 6.785 7.626 ( 11.892 -11.547 -1.215) 16.621 8.015 ( 9.860 6.934 -0.936) 12.090 8.300 ( -15.675 11.730 -0.276) 19.580 9.539 ( 7.453 -2.237 -3.137) 8.390 13.232 ( 16.997 25.057 -0.245) 30.280 16.421 ( 16.292 8.709 -6.369) 19.541 17.671 ( 20.639 15.757 -6.417) 26.748 21.451 ( 1.978 1.455 -0.338) 2.478 22.173 ( -0.041 -7.384 5.153) 9.005 22.658 ( -18.065 11.823 -0.551) 21.597 22.892 ( -3.578 -4.500 2.570) 6.298 24.129 ( -10.986 -8.753 0.366) 14.051 24.660 ( 0.286 -0.386 -3.304) 3.339 24.795 ( 0.398 -0.975 -1.003) 1.454 24.908 ( 4.664 1.286 -4.024) 6.293 25.229 ( 5.240 -0.606 -8.920) 10.363 26.388 ( -1.280 -7.321 -0.837) 7.479 27.499 ( -3.486 -4.436 -1.468) 5.830 27.606 ( -5.962 -1.596 -1.867) 6.448 28.224 ( -1.928 -4.220 -4.449) 6.428 31.491 ( -14.373 -8.419 6.083) 17.733 31.801 ( -4.440 -9.894 2.665) 11.167 50.999 ( -1.311 -0.073 3.073) 3.341 51.493 ( -17.182 -2.593 2.596) 17.569 52.961 ( 20.644 -6.544 -0.393) 21.660 54.663 ( -2.507 -6.133 -0.541) 6.648 54.952 ( -8.841 9.342 -1.181) 12.916 55.831 ( 5.276 2.128 0.304) 5.697 ======================= Grid point 380 (74/126) ======================= q-point: ( 0.38 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( -0.944 4.855 0.939) 5.034 2.710 ( 0.366 0.804 1.461) 1.708 3.021 ( 5.279 1.067 -3.241) 6.286 4.599 ( 4.190 8.172 8.912) 12.797 5.214 ( 13.839 18.707 -0.640) 23.279 5.901 ( -12.793 -0.064 0.053) 12.793 6.090 ( 9.246 5.076 1.240) 10.620 6.790 ( -1.485 -8.830 4.230) 9.903 7.741 ( 9.141 -3.357 -0.502) 9.751 8.147 ( -12.334 10.137 0.203) 15.967 8.270 ( 9.364 4.556 -0.990) 10.460 9.567 ( 1.466 -5.599 -1.726) 6.040 13.629 ( 4.346 18.598 -0.918) 19.121 16.763 ( 12.435 7.055 -5.556) 15.339 18.082 ( 14.673 4.734 -6.399) 16.692 21.488 ( 1.331 0.501 0.211) 1.438 22.004 ( -8.225 -3.583 9.659) 13.183 22.467 ( -12.002 5.935 -0.190) 13.391 22.941 ( 3.716 2.910 -0.399) 4.736 23.895 ( -8.633 -2.715 0.199) 9.052 24.566 ( -6.180 -2.685 -1.556) 6.916 24.785 ( -1.003 0.796 0.945) 1.592 24.955 ( 1.839 0.083 -2.750) 3.310 25.396 ( 12.119 -3.910 -11.740) 17.320 26.318 ( 1.119 -6.834 -0.608) 6.952 27.421 ( -1.755 -1.963 -1.441) 3.002 27.502 ( -4.417 -0.749 -2.423) 5.093 28.168 ( -0.086 -3.540 -4.455) 5.691 31.206 ( -10.103 -4.612 2.445) 11.372 31.699 ( 0.491 -5.955 1.737) 6.223 50.993 ( -0.986 3.047 3.084) 4.447 51.227 ( -11.236 -1.376 2.835) 11.670 53.215 ( 18.305 -11.517 1.097) 21.655 54.539 ( -3.975 -5.466 -0.323) 6.766 54.920 ( -8.013 12.465 -1.274) 14.873 55.919 ( 3.644 0.257 -0.881) 3.758 ======================= Grid point 381 (75/126) ======================= q-point: ( 0.46 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( -3.483 4.215 0.838) 5.532 2.690 ( -2.821 -0.184 0.853) 2.953 3.049 ( -1.164 -2.476 -1.091) 2.946 4.716 ( 0.746 5.577 7.532) 9.401 5.556 ( 4.687 4.248 0.302) 6.333 5.665 ( -11.878 9.714 -0.907) 15.371 6.190 ( -0.646 -1.023 1.377) 1.833 6.745 ( 6.837 -7.401 4.185) 10.911 7.817 ( 0.562 -1.799 -0.117) 1.888 8.071 ( -6.019 10.418 0.402) 12.038 8.394 ( 1.329 -2.107 -0.815) 2.621 9.528 ( 1.448 -4.861 -1.308) 5.238 13.756 ( -7.179 12.350 -1.197) 14.334 16.914 ( -0.497 0.446 -5.189) 5.232 18.242 ( 4.146 -5.527 -6.680) 9.610 21.509 ( 0.791 0.099 0.320) 0.859 21.909 ( -1.396 2.745 11.132) 11.550 22.409 ( -3.691 10.045 -0.268) 10.705 22.974 ( -1.837 -1.092 -0.921) 2.327 23.804 ( -2.338 3.898 0.229) 4.551 24.481 ( -0.883 0.203 -1.704) 1.930 24.780 ( -0.421 0.525 1.203) 1.378 24.986 ( 1.456 0.451 -2.167) 2.650 25.491 ( 5.874 -9.420 -12.309) 16.575 26.286 ( 2.597 -6.132 -0.143) 6.661 27.399 ( -0.193 0.369 -1.198) 1.269 27.458 ( -0.254 0.715 -2.934) 3.031 28.150 ( 1.579 -2.716 -4.456) 5.452 31.081 ( -1.942 0.680 2.012) 2.878 31.680 ( 2.930 -4.133 0.827) 5.133 51.015 ( -3.923 6.524 3.153) 8.240 51.107 ( -0.080 0.301 2.861) 2.878 53.313 ( 9.499 -18.680 1.836) 21.036 54.470 ( 0.479 -0.585 -0.406) 0.858 54.913 ( -7.422 12.685 -1.253) 14.750 55.961 ( 1.835 -1.148 -1.420) 2.589 ======================= Grid point 383 (76/126) ======================= q-point: (-0.46 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( -5.934 3.550 1.394) 7.054 2.610 ( -6.132 -0.827 1.709) 6.419 2.952 ( -5.418 -4.361 -1.690) 7.158 4.711 ( -5.368 0.948 7.475) 9.251 5.271 ( -21.352 -3.567 -1.126) 21.677 5.876 ( 6.806 12.530 0.221) 14.261 6.071 ( -8.223 -6.100 1.845) 10.404 6.860 ( 10.737 -2.306 3.192) 11.436 7.725 ( -2.865 -9.582 -0.379) 10.008 8.132 ( -3.857 12.288 0.273) 12.882 8.276 ( -8.581 -3.013 -1.002) 9.150 9.534 ( 3.421 -4.099 -1.411) 5.523 13.628 ( -18.308 5.560 -0.907) 19.156 16.756 ( -12.483 -7.505 -5.484) 15.563 18.109 ( -10.603 -10.087 -6.728) 16.107 21.513 ( -0.406 -0.407 -0.188) 0.605 22.018 ( 8.894 4.963 10.104) 14.347 22.530 ( 1.729 15.591 -0.882) 15.711 22.864 ( -6.237 -3.683 0.567) 7.265 23.895 ( 7.096 5.918 0.143) 9.241 24.540 ( 4.016 4.127 -1.757) 6.021 24.779 ( 0.192 -0.461 0.782) 0.928 25.021 ( 1.840 1.950 -2.004) 3.347 25.396 ( -3.616 -14.192 -13.441) 19.879 26.292 ( 4.415 -4.495 0.073) 6.301 27.421 ( 2.290 0.851 -1.329) 2.781 27.508 ( 3.371 3.148 -2.559) 5.275 28.168 ( 3.095 -1.692 -4.506) 5.723 31.151 ( 6.137 5.435 3.127) 8.774 31.722 ( 6.306 -2.568 1.527) 6.977 50.989 ( -2.311 2.375 3.119) 4.551 51.230 ( 7.061 9.222 2.795) 11.946 53.172 ( -1.620 -21.635 1.557) 21.752 54.543 ( 6.890 0.619 -0.370) 6.927 54.916 ( -6.676 12.507 -1.228) 14.230 55.958 ( -0.190 -2.455 -1.287) 2.778 ======================= Grid point 384 (77/126) ======================= q-point: (-0.38 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -8.515 2.819 2.663) 9.356 2.455 ( -10.730 -1.766 3.822) 11.526 2.810 ( -5.610 -3.723 -3.752) 7.708 4.560 ( -10.455 -2.956 7.816) 13.384 4.819 ( -26.555 -4.744 -2.162) 27.062 5.774 ( -18.333 -10.040 2.491) 21.050 6.097 ( 6.520 9.305 0.489) 11.372 7.023 ( 7.618 2.021 1.770) 8.078 7.579 ( 2.476 -16.880 -0.916) 17.085 7.981 ( -10.995 -4.869 -0.704) 12.045 8.285 ( -5.182 18.924 -0.069) 19.620 9.521 ( 0.126 -6.430 -3.000) 7.097 13.232 ( -30.159 -2.142 -0.238) 30.236 16.411 ( -15.700 -9.732 -6.274) 19.508 17.702 ( -23.965 -10.547 -6.775) 27.045 21.485 ( -1.881 -1.134 -0.788) 2.333 22.183 ( 2.168 -6.086 4.689) 7.983 22.634 ( -3.088 16.852 1.994) 17.248 22.933 ( 14.293 8.281 1.608) 16.597 24.136 ( 13.787 4.469 0.127) 14.494 24.631 ( 0.532 2.593 -3.745) 4.586 24.780 ( 1.449 -2.395 -0.303) 2.816 25.068 ( -7.475 -10.111 -2.890) 12.902 25.136 ( -1.120 -0.450 -12.437) 12.495 26.355 ( 6.878 -1.958 -0.002) 7.151 27.496 ( 5.223 1.120 -1.365) 5.513 27.617 ( 4.798 3.906 -1.989) 6.499 28.223 ( 4.571 -0.444 -4.522) 6.446 31.375 ( 11.595 7.985 7.163) 15.796 31.866 ( 12.681 -0.039 2.441) 12.914 50.993 ( 0.545 1.213 3.129) 3.400 51.511 ( 12.018 14.223 2.408) 18.775 52.874 ( -7.937 -20.463 0.637) 21.958 54.669 ( 6.739 -1.014 -0.608) 6.842 54.943 ( -3.519 11.477 -1.043) 12.049 55.903 ( -2.729 -3.872 -0.578) 4.772 ======================= Grid point 385 (78/126) ======================= q-point: (-0.31 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -11.395 2.323 4.956) 12.641 2.216 ( -14.483 -2.093 6.460) 15.996 2.701 ( -4.182 -1.748 -2.977) 5.423 4.280 ( -29.391 -6.359 -2.862) 30.207 4.329 ( -11.971 -3.813 5.934) 13.894 5.216 ( -33.191 -13.066 2.937) 35.791 6.295 ( 7.555 6.926 0.582) 10.265 7.140 ( 2.729 3.601 -0.755) 4.581 7.520 ( 9.921 -16.227 0.206) 19.021 7.780 ( -7.368 -3.587 -0.058) 8.195 8.376 ( -6.911 19.953 0.160) 21.117 9.391 ( -6.086 -9.825 -6.937) 13.479 12.575 ( -39.789 -7.783 0.391) 40.545 16.082 ( -12.636 -6.559 -7.209) 15.958 17.129 ( -30.494 -8.956 -7.219) 32.592 21.427 ( -3.182 -1.813 -1.425) 3.930 21.917 ( -18.407 -7.769 1.899) 20.069 22.948 ( 15.017 15.099 2.986) 21.504 23.332 ( 19.481 9.732 0.673) 21.787 24.349 ( -3.949 -8.860 -9.617) 13.660 24.476 ( -7.128 -5.528 -10.452) 13.806 24.721 ( -2.191 -3.298 0.818) 4.042 24.888 ( 3.863 1.409 -0.021) 4.112 25.266 ( 5.440 5.154 -3.933) 8.463 26.487 ( 9.090 0.674 -0.001) 9.115 27.613 ( 6.774 1.256 -1.360) 7.023 27.734 ( 4.734 2.840 -1.605) 5.749 28.314 ( 5.808 0.703 -4.357) 7.295 31.695 ( 16.890 8.479 15.447) 24.409 32.159 ( 19.509 2.579 1.800) 19.761 51.025 ( 1.892 0.807 3.160) 3.771 51.896 ( 12.886 16.855 0.912) 21.236 52.540 ( -6.650 -17.713 0.120) 18.921 54.729 ( 1.147 -0.092 -1.217) 1.675 55.028 ( 2.333 7.132 -0.662) 7.533 55.783 ( -6.180 -5.364 0.465) 8.196 ======================= Grid point 386 (79/126) ======================= q-point: (-0.23 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( -15.400 2.946 7.778) 17.503 1.948 ( -14.127 -0.657 11.972) 18.529 2.617 ( -5.075 -0.468 4.130) 6.560 3.704 ( -29.103 -7.347 -5.086) 30.444 4.089 ( -15.786 -3.198 2.565) 16.309 4.472 ( -34.171 -8.518 1.627) 35.254 6.496 ( 9.497 4.324 0.525) 10.448 7.194 ( 2.668 -2.051 -2.873) 4.425 7.560 ( 6.680 -7.189 1.640) 9.950 7.656 ( -4.293 -1.359 0.820) 4.577 8.425 ( -11.431 18.532 0.043) 21.774 9.149 ( -6.358 -12.721 -11.130) 18.059 11.781 ( -42.231 -7.270 0.759) 42.859 15.857 ( -8.633 -2.674 -8.096) 12.133 16.533 ( -29.630 -5.575 -8.007) 31.195 21.327 ( -7.362 -2.757 -2.127) 8.144 21.542 ( -17.319 -0.739 2.903) 17.576 23.175 ( -14.063 -2.130 -13.313) 19.482 23.708 ( 15.202 -3.017 -0.908) 15.525 23.888 ( -5.467 0.787 -11.233) 12.518 24.550 ( 3.273 0.356 0.558) 3.339 24.674 ( -2.093 -0.398 0.541) 2.198 25.060 ( 11.832 2.118 0.183) 12.021 25.381 ( 3.491 2.131 -2.912) 5.020 26.664 ( 9.676 1.690 -0.011) 9.823 27.741 ( 6.586 1.026 -1.394) 6.810 27.828 ( 3.864 1.109 -1.478) 4.283 28.427 ( 6.105 0.960 -4.035) 7.381 32.147 ( 26.993 8.144 23.636) 36.791 32.544 ( 21.629 2.273 1.428) 21.795 51.069 ( 2.198 0.609 3.197) 3.927 51.982 ( -15.480 -0.698 -4.909) 16.255 52.598 ( 24.680 3.674 3.623) 25.214 54.725 ( -1.446 0.491 -1.562) 2.185 55.140 ( 4.323 3.127 -0.531) 5.362 55.581 ( -10.858 -6.309 1.359) 12.631 ======================= Grid point 391 (80/126) ======================= q-point: ( 0.15 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 7.471 8.706 7.101) 13.492 2.243 ( 12.580 11.823 3.123) 17.544 2.695 ( 3.098 2.339 -1.190) 4.060 4.192 ( 13.483 29.312 -1.888) 32.320 4.277 ( 4.778 11.399 4.305) 13.088 5.063 ( 16.939 31.394 3.364) 35.830 6.384 ( -2.828 -5.877 0.566) 6.546 7.137 ( -6.027 4.073 -1.812) 7.496 7.359 ( -2.072 -14.150 1.316) 14.361 7.756 ( 4.584 5.987 0.008) 7.540 8.671 ( 5.260 -0.216 1.110) 5.380 9.209 ( 1.983 10.881 -8.701) 14.073 12.499 ( 22.081 38.276 0.576) 44.192 16.014 ( 5.931 9.862 -7.577) 13.779 17.035 ( 15.157 27.407 -7.038) 32.100 21.395 ( 0.927 3.847 -1.404) 4.199 21.867 ( 10.870 13.117 2.692) 17.247 23.122 ( -5.776 -11.946 1.084) 13.313 23.388 ( -14.805 -7.799 -0.089) 16.734 24.187 ( 13.262 15.515 -18.228) 27.365 24.438 ( -5.977 -7.226 0.024) 9.378 24.716 ( 2.077 1.074 0.012) 2.338 24.903 ( -3.114 -5.621 0.229) 6.431 25.326 ( -2.094 -4.021 -3.939) 6.006 26.497 ( -4.814 -9.629 -0.233) 10.768 27.626 ( -3.516 -6.302 -1.437) 7.358 27.762 ( -2.375 -3.595 -1.388) 4.526 28.321 ( -3.311 -5.797 -4.362) 7.975 31.824 ( -5.409 -16.804 18.049) 25.246 32.158 ( -13.345 -18.448 -0.063) 22.769 51.036 ( -0.807 -1.799 3.078) 3.655 52.166 ( -18.192 6.260 1.220) 19.278 52.281 ( 15.696 -15.291 -0.816) 21.928 54.730 ( -1.004 -1.491 -1.265) 2.198 55.119 ( 0.564 -0.461 -1.437) 1.611 55.689 ( 1.160 7.797 1.728) 8.070 ======================= Grid point 392 (81/126) ======================= q-point: ( 0.23 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 3.845 8.057 3.664) 9.650 2.549 ( 10.276 7.678 2.449) 13.060 2.779 ( 5.128 1.719 -4.644) 7.129 4.454 ( 4.284 11.504 9.543) 15.548 4.737 ( 14.315 27.977 -2.525) 31.527 5.590 ( 15.495 17.692 2.752) 23.679 6.280 ( -6.151 0.110 0.437) 6.168 6.991 ( -10.159 -4.913 1.770) 11.423 7.326 ( 10.566 -7.225 -1.600) 12.899 7.929 ( 7.719 7.374 -0.535) 10.688 8.647 ( -10.077 7.137 0.007) 12.348 9.362 ( 8.333 -1.496 -3.627) 9.211 13.224 ( 19.162 34.011 0.295) 39.038 16.264 ( 11.729 10.352 -7.042) 17.156 17.540 ( 15.081 20.084 -6.211) 25.872 21.443 ( 1.056 2.365 -0.962) 2.763 22.097 ( 4.944 2.915 4.797) 7.480 22.904 ( -5.188 -9.496 3.054) 11.243 23.089 ( -17.138 5.372 -1.396) 18.014 24.196 ( -7.740 -10.440 -0.312) 13.000 24.548 ( 12.459 4.929 -11.726) 17.805 24.747 ( 1.280 -1.113 -0.993) 1.965 24.862 ( 0.955 0.364 -0.122) 1.029 25.230 ( -4.279 -3.237 -4.982) 7.322 26.329 ( -2.953 -10.172 -0.498) 10.603 27.509 ( -3.196 -4.994 -1.481) 6.111 27.676 ( -4.048 -2.695 -1.395) 5.059 28.210 ( -2.636 -5.736 -4.658) 7.845 31.611 ( -6.903 -8.623 10.756) 15.418 31.771 ( -9.460 -16.104 -0.340) 18.681 51.013 ( -0.452 -0.301 2.984) 3.033 51.805 ( -19.479 -2.392 2.822) 19.827 52.520 ( 18.837 -7.683 -0.369) 20.347 54.659 ( -3.022 -5.045 -0.626) 5.914 55.143 ( -2.108 7.194 -2.008) 7.761 55.778 ( 2.933 3.256 0.864) 4.466 ======================= Grid point 393 (82/126) ======================= q-point: ( 0.31 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 0.099 7.916 1.621) 8.081 2.701 ( 2.542 2.328 2.279) 4.132 2.919 ( 7.706 1.559 -4.145) 8.888 4.634 ( 3.366 11.323 10.348) 15.704 5.209 ( 11.217 22.139 -1.251) 24.850 5.939 ( 11.393 7.249 1.399) 13.576 6.171 ( -10.529 6.587 0.014) 12.420 6.758 ( -6.719 -11.365 2.668) 13.470 7.506 ( 13.880 -1.510 -0.815) 13.986 8.147 ( 8.985 6.460 -0.612) 11.083 8.506 ( -14.737 8.589 0.263) 17.059 9.435 ( 5.612 -7.634 -1.443) 9.584 13.773 ( 7.962 28.642 -0.146) 29.728 16.604 ( 14.966 10.155 -6.344) 19.166 17.902 ( 11.340 6.242 -5.923) 14.236 21.476 ( 0.866 1.092 -0.567) 1.505 22.086 ( -4.494 -2.141 7.987) 9.411 22.744 ( -8.940 0.680 1.673) 9.121 22.975 ( -5.355 9.308 -1.727) 10.876 23.999 ( -6.301 -3.248 -0.308) 7.095 24.633 ( -3.546 -2.271 -1.963) 4.645 24.794 ( 3.585 0.443 -2.531) 4.410 24.896 ( 3.318 -2.429 -2.935) 5.052 25.175 ( 3.919 -4.789 -7.357) 9.614 26.207 ( 0.762 -10.585 -0.556) 10.627 27.429 ( -1.717 -2.371 -1.492) 3.285 27.576 ( -4.897 -1.551 -1.642) 5.393 28.126 ( -0.622 -5.541 -4.747) 7.323 31.351 ( -12.410 -5.646 2.594) 13.878 31.598 ( 1.762 -10.220 2.378) 10.640 51.022 ( 0.572 2.388 2.952) 3.839 51.484 ( -17.297 1.601 2.951) 17.620 52.741 ( 19.360 -14.632 1.108) 24.293 54.548 ( -3.355 -5.193 -0.393) 6.195 55.175 ( -5.551 12.118 -1.795) 13.450 55.851 ( 3.734 -0.117 -0.394) 3.757 ======================= Grid point 394 (83/126) ======================= q-point: ( 0.38 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -3.124 7.608 0.843) 8.267 2.727 ( -0.828 1.013 1.473) 1.970 3.012 ( 2.805 -1.961 -1.505) 3.738 4.778 ( 0.899 9.335 9.243) 13.167 5.527 ( 5.991 10.033 -0.354) 11.691 6.040 ( -14.234 16.222 0.148) 21.582 6.152 ( 5.115 1.210 0.576) 5.287 6.573 ( 0.320 -11.655 2.524) 11.930 7.707 ( 9.924 -3.008 0.120) 10.370 8.321 ( 2.397 5.070 -0.066) 5.608 8.349 ( -9.721 6.706 0.377) 11.816 9.423 ( 3.179 -8.432 -0.872) 9.053 14.049 ( -5.184 22.745 -0.532) 23.334 16.897 ( 6.587 6.794 -5.605) 10.998 18.053 ( 8.270 -7.664 -6.245) 12.889 21.496 ( 0.772 0.308 -0.367) 0.909 21.989 ( -4.525 1.158 9.877) 10.926 22.651 ( -9.048 12.985 -0.190) 15.828 22.992 ( -1.199 1.924 -0.802) 2.404 23.922 ( -4.694 5.461 -0.086) 7.201 24.515 ( -4.258 -2.548 -1.758) 5.265 24.808 ( -1.775 1.177 1.147) 2.419 24.943 ( 4.235 -1.475 -4.078) 6.061 25.226 ( 9.626 -12.399 -9.181) 18.185 26.144 ( 3.794 -10.320 -0.309) 11.000 27.407 ( -0.056 0.473 -1.297) 1.381 27.492 ( -3.289 -0.349 -2.126) 3.932 28.082 ( 1.610 -4.965 -4.704) 7.027 31.153 ( -6.269 -0.747 1.371) 6.460 31.563 ( 3.776 -7.563 0.948) 8.507 51.083 ( 2.397 4.476 2.946) 5.870 51.254 ( -13.314 5.628 3.050) 14.773 52.873 ( 16.297 -21.503 1.939) 27.051 54.465 ( -1.359 -2.506 -0.399) 2.879 55.189 ( -7.794 13.911 -1.486) 16.015 55.900 ( 3.219 -2.203 -1.251) 4.096 ======================= Grid point 395 (84/126) ======================= q-point: (-0.54 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( -5.810 6.822 1.104) 9.028 2.698 ( -3.734 1.007 1.449) 4.130 2.979 ( -2.565 -4.345 -0.966) 5.138 4.824 ( -4.298 4.716 8.694) 10.784 5.540 ( -10.022 -0.722 -0.433) 10.057 6.032 ( -7.312 20.152 0.369) 21.441 6.129 ( -5.131 -3.742 0.792) 6.400 6.609 ( 12.565 -5.358 1.952) 13.799 7.708 ( -2.657 -9.766 0.110) 10.121 8.277 ( -5.471 2.250 0.427) 5.931 8.391 ( -1.332 9.794 -0.074) 9.884 9.407 ( 4.311 -7.353 -0.725) 8.554 14.049 ( -17.140 15.876 -0.529) 23.369 16.891 ( -9.555 -2.589 -5.547) 11.348 18.066 ( 3.582 -10.644 -6.397) 12.925 21.508 ( 0.424 -0.259 -0.675) 0.838 21.986 ( 1.289 4.370 10.208) 11.178 22.697 ( -3.161 17.156 -0.566) 17.454 22.945 ( -4.866 -0.657 -0.338) 4.921 23.917 ( -2.603 6.248 -0.098) 6.769 24.511 ( 3.659 2.863 -1.896) 5.019 24.781 ( -1.303 -0.934 0.534) 1.690 25.003 ( 2.826 1.452 -2.597) 4.103 25.213 ( 5.485 -17.214 -10.355) 20.824 26.133 ( 6.043 -8.637 -0.066) 10.542 27.410 ( -0.269 0.436 -1.240) 1.341 27.490 ( 2.014 2.534 -2.191) 3.908 28.082 ( 3.510 -3.863 -4.722) 7.038 31.133 ( 1.732 4.401 1.601) 4.993 31.572 ( 5.640 -6.526 0.861) 8.668 51.082 ( -5.179 0.200 2.962) 5.970 51.256 ( 1.911 14.399 3.026) 14.837 52.861 ( 9.207 -25.011 2.060) 26.732 54.465 ( 2.933 -0.087 -0.409) 2.963 55.183 ( -8.592 13.310 -1.421) 15.906 55.915 ( 1.755 -3.447 -1.404) 4.115 ======================= Grid point 396 (85/126) ======================= q-point: (-0.46 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( -8.184 5.298 2.283) 10.013 2.615 ( -7.604 1.507 2.012) 8.009 2.864 ( -5.074 -4.010 -2.799) 7.047 4.719 ( -9.954 -0.425 9.249) 13.594 5.238 ( -23.312 -0.198 -1.421) 23.356 5.934 ( -10.287 -6.344 1.506) 12.179 6.152 ( -0.942 13.585 0.280) 13.621 6.821 ( 15.132 -1.607 1.808) 15.324 7.494 ( -7.352 -12.459 -0.701) 14.484 8.121 ( -10.179 -3.713 -0.380) 10.842 8.518 ( -1.152 16.595 0.170) 16.636 9.409 ( 3.971 -7.867 -1.228) 8.897 13.772 ( -28.789 7.468 -0.141) 29.743 16.595 ( -16.280 -7.701 -6.249) 19.063 17.924 ( -10.783 -7.455 -6.186) 14.495 21.499 ( -0.894 -0.904 -1.036) 1.640 22.093 ( 4.965 2.504 8.462) 10.125 22.800 ( -0.560 -1.700 2.243) 2.870 22.914 ( -1.109 19.611 -1.976) 19.742 23.990 ( 6.381 3.351 -0.417) 7.219 24.631 ( 3.550 4.183 -2.728) 6.128 24.744 ( -0.571 -3.731 -1.065) 3.922 25.041 ( -1.498 -9.479 -1.384) 9.696 25.112 ( 2.739 -2.462 -10.635) 11.254 26.186 ( 8.344 -5.237 -0.071) 9.852 27.432 ( 2.755 0.274 -1.457) 3.128 27.577 ( 4.078 3.336 -1.687) 5.532 28.126 ( 5.083 -2.234 -4.788) 7.332 31.285 ( 8.185 7.840 3.387) 11.829 31.640 ( 9.949 -5.636 1.949) 11.599 51.020 ( -2.461 0.806 2.976) 3.945 51.492 ( 7.779 15.981 2.866) 18.004 52.707 ( 1.196 -23.184 1.477) 23.261 54.550 ( 6.275 0.218 -0.419) 6.293 55.160 ( -7.910 10.734 -1.594) 13.428 55.890 ( -0.434 -4.152 -0.842) 4.259 ======================= Grid point 397 (86/126) ======================= q-point: (-0.38 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -10.127 3.045 4.317) 11.422 2.460 ( -12.911 2.746 2.449) 13.425 2.756 ( -4.122 -1.229 -4.036) 5.898 4.504 ( -12.493 -2.764 8.990) 15.637 4.767 ( -30.298 -1.401 -2.676) 30.448 5.604 ( -22.342 -5.759 2.641) 23.223 6.269 ( 3.063 6.346 0.556) 7.069 7.078 ( 14.324 2.526 1.336) 14.606 7.268 ( -3.932 -11.655 -1.560) 12.399 7.911 ( -10.360 -1.448 -0.414) 10.469 8.634 ( -3.068 13.188 0.153) 13.541 9.362 ( -1.150 -7.577 -3.640) 8.485 13.224 ( -39.024 0.413 0.297) 39.027 16.259 ( -14.785 -4.530 -6.992) 16.971 17.553 ( -24.989 -4.274 -6.357) 26.136 21.460 ( -2.369 -1.295 -1.271) 2.984 22.090 ( -7.062 -2.404 4.882) 8.916 22.857 ( 8.606 5.358 3.190) 10.627 23.164 ( 10.010 10.050 -0.733) 14.203 24.188 ( 12.568 1.369 -0.836) 12.670 24.572 ( -9.840 -9.819 -13.521) 19.392 24.723 ( 0.163 0.534 0.826) 0.997 24.880 ( -2.701 -3.433 -1.158) 4.519 25.221 ( 5.340 3.545 -4.764) 7.986 26.315 ( 10.283 -1.240 -0.148) 10.358 27.509 ( 5.798 0.299 -1.455) 5.985 27.679 ( 4.512 1.849 -1.423) 5.079 28.210 ( 6.260 -0.563 -4.690) 7.843 31.532 ( 11.316 7.338 9.364) 16.419 31.829 ( 17.866 -3.473 1.425) 18.256 51.010 ( 0.410 0.480 3.007) 3.072 51.831 ( 13.746 15.032 2.617) 20.536 52.467 ( -5.624 -16.816 0.178) 17.732 54.661 ( 5.942 -0.101 -0.650) 5.978 55.130 ( -5.178 6.277 -1.753) 8.324 55.816 ( -3.434 -4.189 0.306) 5.426 ======================= Grid point 405 (87/126) ======================= q-point: ( 0.23 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 4.396 7.518 3.128) 9.253 2.666 ( 5.653 4.333 1.871) 7.365 2.829 ( 3.770 3.257 -4.141) 6.478 4.690 ( 3.874 11.625 10.549) 16.168 5.236 ( 11.502 21.370 -1.561) 24.319 5.864 ( 6.085 10.183 1.058) 11.910 6.319 ( 2.875 4.031 0.593) 4.987 6.787 ( -10.026 -13.176 1.692) 16.643 7.343 ( 4.065 6.091 -1.139) 7.410 8.092 ( 6.036 8.836 -0.284) 10.705 8.718 ( -0.776 -0.457 0.136) 0.911 9.306 ( -0.849 -3.209 -1.141) 3.510 13.858 ( 16.581 28.721 0.317) 33.165 16.510 ( 8.927 14.855 -6.820) 18.625 17.841 ( 4.621 9.339 -5.762) 11.907 21.482 ( 0.050 1.505 -1.162) 1.902 22.116 ( -1.114 -1.538 7.686) 7.917 22.782 ( -0.770 -1.153 2.753) 3.082 23.152 ( 0.163 0.201 -2.579) 2.592 24.031 ( -2.241 -5.215 -1.030) 5.769 24.634 ( 0.533 3.846 -8.407) 9.260 24.706 ( 0.322 -3.786 -0.823) 3.888 24.884 ( -1.790 1.927 -0.838) 2.760 25.148 ( -2.120 -5.082 -4.621) 7.189 26.131 ( -4.579 -9.189 -0.307) 10.271 27.433 ( -1.569 -2.519 -1.464) 3.309 27.615 ( -2.028 -3.502 -1.247) 4.235 28.100 ( -3.003 -5.185 -5.006) 7.808 31.446 ( 2.929 -11.086 3.777) 12.073 31.508 ( -12.613 -7.100 1.670) 14.570 51.027 ( 1.159 1.873 2.918) 3.656 51.713 ( -4.615 -6.852 3.126) 8.833 52.422 ( 0.207 -2.251 1.124) 2.525 54.552 ( -3.115 -5.305 -0.424) 6.167 55.286 ( 4.700 6.746 -2.120) 8.490 55.824 ( -0.730 1.441 -0.225) 1.631 ======================= Grid point 406 (88/126) ======================= q-point: ( 0.31 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 0.089 8.298 1.572) 8.446 2.740 ( 0.682 1.779 1.893) 2.685 2.926 ( 4.706 -0.895 -1.914) 5.159 4.852 ( 2.170 9.867 10.310) 14.435 5.543 ( 5.136 11.317 -0.198) 12.430 6.040 ( 7.360 3.229 -0.271) 8.042 6.411 ( -6.376 13.287 1.170) 14.784 6.527 ( -5.328 -6.768 0.819) 8.653 7.476 ( 9.179 -3.818 -0.070) 9.942 8.275 ( 5.907 6.926 0.028) 9.103 8.622 ( -10.169 2.609 0.422) 10.506 9.275 ( 3.158 -7.460 -0.205) 8.103 14.305 ( 4.500 23.649 0.301) 24.075 16.839 ( 11.119 14.186 -6.409) 19.130 17.884 ( 0.744 -8.127 -5.788) 10.005 21.493 ( 0.133 0.549 -1.073) 1.212 22.057 ( -2.959 -1.199 8.920) 9.474 22.826 ( 1.479 7.895 1.287) 8.135 23.122 ( -7.095 4.754 -2.203) 8.820 24.023 ( 0.424 5.626 -0.930) 5.719 24.567 ( -5.932 -4.492 -1.598) 7.611 24.753 ( 9.195 -6.950 -8.259) 14.179 24.856 ( -2.261 0.744 0.726) 2.488 25.067 ( -0.828 -5.373 -3.402) 6.413 25.996 ( 0.122 -9.961 -0.333) 9.967 27.411 ( 0.085 0.512 -1.340) 1.437 27.542 ( -3.143 -1.955 -1.296) 3.922 28.017 ( -0.498 -5.133 -5.142) 7.283 31.269 ( -8.474 -2.781 0.508) 8.933 31.417 ( 3.552 -7.722 1.646) 8.657 51.083 ( 1.961 3.284 2.936) 4.822 51.560 ( -11.917 6.320 3.085) 13.837 52.419 ( 10.324 -17.231 2.038) 20.191 54.464 ( -1.888 -3.278 -0.405) 3.805 55.404 ( -1.410 10.697 -1.863) 10.949 55.825 ( 1.635 -2.566 -0.980) 3.196 ======================= Grid point 407 (89/126) ======================= q-point: ( 0.38 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -4.427 7.655 0.927) 8.892 2.751 ( -0.987 1.392 1.995) 2.625 2.949 ( 1.054 -4.162 -0.475) 4.320 4.936 ( -2.129 5.871 9.537) 11.400 5.641 ( -1.992 3.730 0.432) 4.251 6.136 ( -0.940 -2.504 0.146) 2.678 6.337 ( 4.558 -3.201 1.470) 5.760 6.519 ( -12.248 20.617 -0.504) 23.986 7.546 ( 7.995 -13.400 0.505) 15.612 8.386 ( -3.465 3.073 0.075) 4.632 8.512 ( -2.703 7.549 0.713) 8.050 9.260 ( 3.670 -7.332 -0.049) 8.199 14.461 ( -9.804 16.987 0.256) 19.615 17.043 ( -5.041 8.110 -5.918) 11.235 17.816 ( 8.896 -14.506 -6.189) 18.107 21.499 ( 0.322 0.006 -1.142) 1.186 22.021 ( -1.044 1.568 9.415) 9.602 22.952 ( -3.393 15.460 -1.001) 15.859 23.015 ( -5.784 0.691 -0.292) 5.833 24.078 ( -5.892 8.826 -0.343) 10.618 24.466 ( 1.935 -2.077 -2.134) 3.552 24.766 ( 2.338 -9.426 -4.541) 10.721 24.899 ( 6.290 -0.841 -4.700) 7.898 25.013 ( 0.824 -5.719 -1.109) 5.884 25.945 ( 4.740 -8.716 -0.225) 9.925 27.429 ( -0.502 1.321 -1.037) 1.753 27.490 ( -0.398 0.290 -1.616) 1.690 27.987 ( 2.444 -4.204 -5.146) 7.080 31.175 ( -2.305 2.802 0.614) 3.680 31.413 ( 4.634 -7.235 0.483) 8.605 51.127 ( -0.414 0.677 2.990) 3.093 51.477 ( -8.893 15.550 2.997) 18.162 52.422 ( 12.954 -22.920 2.408) 26.438 54.431 ( 0.620 -1.058 -0.423) 1.297 55.441 ( -6.800 11.155 -1.579) 13.159 55.832 ( 3.220 -4.646 -1.445) 5.835 ======================= Grid point 409 (90/126) ======================= q-point: (-0.54 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( -7.159 4.060 2.047) 8.481 2.729 ( -3.550 1.843 1.596) 4.307 2.898 ( -2.463 -2.659 -1.651) 3.983 4.879 ( -8.178 0.627 10.004) 12.937 5.547 ( -12.011 0.801 -0.187) 12.039 6.021 ( -6.030 -3.155 0.002) 6.806 6.419 ( -11.711 12.754 0.794) 17.333 6.541 ( 12.164 -1.359 0.783) 12.264 7.479 ( -1.454 -10.055 -0.094) 10.160 8.262 ( -9.110 -0.372 0.183) 9.119 8.635 ( 2.835 9.046 0.285) 9.484 9.263 ( 4.357 -5.564 -0.093) 7.067 14.305 ( -22.735 7.931 0.303) 24.080 16.834 ( -17.925 -2.129 -6.353) 19.136 17.893 ( 6.971 -5.462 -5.894) 10.638 21.500 ( -0.135 -0.487 -1.260) 1.358 22.056 ( 2.602 2.117 9.123) 9.720 22.850 ( -7.477 -0.465 1.371) 7.616 23.100 ( -0.740 11.582 -2.234) 11.819 24.011 ( -5.101 2.997 -0.952) 5.992 24.584 ( 7.043 3.874 -1.534) 8.184 24.704 ( 0.260 -7.126 -5.304) 8.886 24.931 ( 1.921 -7.841 -3.144) 8.664 25.040 ( 4.966 1.868 -2.792) 5.996 25.990 ( 8.203 -4.520 -0.197) 9.368 27.414 ( -0.479 -0.035 -1.336) 1.420 27.541 ( 3.320 1.883 -1.304) 4.034 28.017 ( 4.699 -2.156 -5.151) 7.297 31.245 ( 4.909 6.473 0.891) 8.172 31.435 ( 6.255 -6.942 1.341) 9.440 51.082 ( -3.860 -0.007 2.942) 4.853 51.563 ( 0.652 13.396 3.055) 13.755 52.412 ( 9.204 -16.996 2.120) 19.443 54.464 ( 3.807 -0.030 -0.410) 3.829 55.396 ( -8.840 7.033 -1.764) 11.433 55.838 ( 2.034 -3.593 -1.125) 4.280 ======================= Grid point 420 (91/126) ======================= q-point: ( 0.31 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 2.628 2.960 2.067) 4.466 2.780 ( 0.686 3.611 1.224) 3.875 2.886 ( -0.701 -2.747 -0.252) 2.846 4.991 ( 1.751 3.654 9.565) 10.387 5.686 ( 2.063 3.701 1.748) 4.584 6.103 ( 3.436 4.229 -0.981) 5.536 6.273 ( -6.441 -9.454 0.183) 11.441 6.852 ( 11.177 19.157 0.490) 22.184 7.312 ( -7.014 -11.897 0.474) 13.819 8.426 ( 5.053 7.935 0.333) 9.414 8.594 ( -3.376 -4.980 0.344) 6.026 9.178 ( -1.049 -2.162 0.452) 2.445 14.642 ( 5.314 9.210 0.743) 10.659 17.163 ( 10.198 17.313 -6.321) 21.064 17.618 ( -9.767 -16.495 -6.037) 20.098 21.498 ( -0.063 0.045 -1.404) 1.406 22.038 ( -0.286 -0.565 9.031) 9.053 23.013 ( 4.665 9.300 -0.025) 10.405 23.144 ( -0.932 -2.698 -1.488) 3.219 24.193 ( 6.633 10.172 -0.928) 12.179 24.448 ( -5.988 -8.044 -0.336) 10.034 24.599 ( -2.035 -5.336 -9.957) 11.479 24.897 ( 0.214 2.573 -0.124) 2.585 24.973 ( -1.476 -3.940 -0.794) 4.282 25.850 ( -2.264 -4.071 -0.276) 4.667 27.442 ( 1.190 2.234 -1.103) 2.761 27.498 ( -1.283 -2.383 -1.057) 2.906 27.940 ( -1.276 -2.199 -5.485) 6.046 31.239 ( 0.357 -0.330 0.077) 0.493 31.306 ( -2.383 -3.282 0.580) 4.097 51.132 ( 0.788 1.355 3.029) 3.411 51.731 ( 5.597 9.837 2.928) 11.690 52.097 ( -7.878 -13.873 2.567) 16.159 54.421 ( -0.645 -1.114 -0.429) 1.357 55.585 ( 4.441 7.254 -1.684) 8.671 55.752 ( -2.873 -4.462 -1.416) 5.493 ======================= Grid point 543 (92/126) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 0.000 -0.000 18.548) 18.548 1.802 ( 0.000 0.000 18.548) 18.548 2.495 ( 0.000 -0.000 -13.253) 13.253 2.495 ( 0.000 0.000 -13.253) 13.253 3.114 ( 0.000 0.000 38.862) 38.862 4.043 ( 0.000 -0.000 -31.045) 31.045 6.998 ( 0.000 -0.000 0.022) 0.022 6.998 ( 0.000 0.000 0.022) 0.022 7.368 ( 0.000 -0.000 -0.148) 0.148 7.368 ( 0.000 0.000 -0.148) 0.148 7.617 ( 0.000 0.000 0.978) 0.978 9.643 ( 0.000 -0.000 0.248) 0.248 10.422 ( 0.000 0.000 0.468) 0.468 15.476 ( 0.000 -0.000 -4.232) 4.232 15.476 ( 0.000 0.000 -4.232) 4.232 20.839 ( 0.000 -0.000 0.847) 0.847 20.839 ( 0.000 0.000 0.847) 0.847 21.298 ( 0.000 -0.000 0.004) 0.004 24.311 ( 0.000 -0.000 -0.504) 0.504 24.311 ( 0.000 0.000 -0.504) 0.504 24.616 ( 0.000 -0.000 0.552) 0.552 24.616 ( 0.000 0.000 0.552) 0.552 25.461 ( 0.000 -0.000 0.218) 0.218 25.461 ( -0.000 0.000 0.218) 0.218 26.972 ( 0.000 0.000 -0.058) 0.058 27.912 ( 0.000 -0.000 -0.672) 0.672 27.912 ( 0.000 0.000 -0.672) 0.672 28.563 ( 0.000 -0.000 -1.629) 1.629 33.173 ( 0.000 0.000 -0.073) 0.073 33.867 ( 0.000 0.000 -0.045) 0.045 51.193 ( 0.000 -0.000 1.467) 1.467 51.193 ( 0.000 0.000 1.467) 1.467 54.107 ( 0.000 0.000 0.291) 0.291 54.654 ( 0.000 -0.000 -0.627) 0.627 54.654 ( 0.000 -0.000 -0.627) 0.627 55.292 ( 0.000 -0.000 -0.264) 0.264 ======================= Grid point 544 (93/126) ======================= q-point: ( 0.08 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 4.661 2.691 14.241) 15.224 1.912 ( 5.916 3.416 10.638) 12.643 2.635 ( 14.604 8.432 -6.807) 18.186 2.774 ( 13.317 7.689 -6.657) 16.756 3.156 ( 10.952 6.323 26.287) 29.171 4.010 ( -0.658 -0.380 -21.090) 21.104 6.860 ( -9.572 -5.526 0.112) 11.053 7.108 ( 3.034 1.752 0.027) 3.504 7.483 ( 7.580 4.377 -0.165) 8.755 7.606 ( 11.413 6.589 -0.629) 13.194 7.634 ( 13.601 7.852 -1.937) 15.824 9.392 ( -19.404 -11.203 0.941) 22.426 10.655 ( 19.803 11.434 0.452) 22.872 15.512 ( 3.211 1.854 -4.068) 5.504 15.624 ( 12.657 7.307 -4.177) 15.200 20.957 ( 9.080 5.242 -0.845) 10.518 21.289 ( 36.102 20.843 -1.391) 41.710 21.326 ( 2.645 1.527 -0.005) 3.054 24.194 ( -9.201 -5.312 1.438) 10.721 24.237 ( -7.162 -4.135 -2.193) 8.556 24.610 ( -0.707 -0.408 0.201) 0.841 24.622 ( 0.923 0.533 0.724) 1.289 25.401 ( -5.311 -3.066 0.028) 6.133 25.444 ( -1.480 -0.855 0.160) 1.717 26.921 ( -4.329 -2.499 -0.081) 4.999 27.884 ( -2.469 -1.426 -0.758) 2.950 27.894 ( -1.543 -0.891 -0.566) 1.869 28.530 ( -2.836 -1.637 -1.656) 3.670 33.059 ( -9.798 -5.657 -0.026) 11.314 33.586 ( -22.603 -13.050 3.200) 26.295 51.183 ( -0.923 -0.533 1.364) 1.731 51.342 ( 12.064 6.965 0.372) 13.935 53.662 ( -26.951 -15.560 -0.059) 31.120 54.659 ( 0.424 0.245 -0.532) 0.724 55.006 ( 19.070 11.010 0.202) 22.022 55.267 ( -2.094 -1.209 -0.262) 2.432 ======================= Grid point 545 (94/126) ======================= q-point: ( 0.15 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 9.063 5.233 7.118) 12.657 2.044 ( 5.586 3.225 2.559) 6.939 2.797 ( -4.291 -2.478 1.792) 5.269 3.111 ( 25.488 14.715 -0.544) 29.435 3.802 ( 33.980 19.619 8.396) 40.125 4.105 ( 11.973 6.912 -9.011) 16.502 6.626 ( -10.413 -6.012 0.172) 12.025 7.108 ( -1.758 -1.015 1.927) 2.799 7.637 ( 1.448 0.836 0.519) 1.750 7.654 ( 6.990 4.036 -0.155) 8.073 8.286 ( 26.477 15.287 -10.869) 32.447 8.929 ( -16.311 -9.417 4.605) 19.389 11.271 ( 32.790 18.932 0.400) 37.865 15.625 ( 6.817 3.936 -3.802) 8.741 16.029 ( 22.276 12.861 -3.751) 25.994 21.193 ( 9.237 5.333 -1.195) 10.732 21.456 ( 10.495 6.059 -1.175) 12.176 22.222 ( 39.874 23.021 -2.509) 46.111 23.903 ( -15.915 -9.188 2.745) 18.580 24.028 ( -9.103 -5.256 -4.438) 11.410 24.584 ( -1.685 -0.973 0.399) 1.986 24.659 ( 2.220 1.282 0.343) 2.587 25.228 ( -9.501 -5.485 -0.200) 10.972 25.390 ( -3.383 -1.953 -0.276) 3.916 26.786 ( -7.174 -4.142 -0.217) 8.286 27.803 ( -4.495 -2.595 -0.817) 5.254 27.841 ( -3.166 -1.828 -0.444) 3.682 28.441 ( -4.787 -2.764 -1.740) 5.795 32.751 ( -16.541 -9.550 -0.149) 19.100 32.968 ( -28.991 -16.738 7.040) 34.208 51.153 ( -1.678 -0.969 1.282) 2.323 51.670 ( 14.686 8.479 -0.455) 16.964 53.067 ( -23.424 -13.524 -1.413) 27.084 54.673 ( 0.789 0.456 -0.452) 1.017 55.186 ( -4.176 -2.411 -0.272) 4.829 55.390 ( 13.613 7.859 1.816) 15.823 ======================= Grid point 546 (95/126) ======================= q-point: ( 0.23 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 4.922 2.842 -0.357) 5.695 2.248 ( 13.261 7.656 2.113) 15.458 2.716 ( -2.349 -1.356 -3.666) 4.560 3.731 ( 27.942 16.132 1.217) 32.287 4.220 ( 11.116 6.418 4.124) 13.482 4.792 ( 36.877 21.291 1.140) 42.597 6.397 ( -9.650 -5.571 0.129) 11.144 7.058 ( -2.287 -1.320 2.516) 3.648 7.690 ( 3.410 1.969 -0.272) 3.947 7.791 ( 5.020 2.898 -0.129) 5.798 8.357 ( -12.358 -7.135 -6.397) 15.638 9.068 ( 19.963 11.526 0.495) 23.057 12.070 ( 35.552 20.526 0.270) 41.053 15.829 ( 11.289 6.518 -3.510) 13.500 16.606 ( 27.536 15.898 -3.094) 31.946 21.335 ( 4.338 2.505 0.061) 5.010 21.807 ( 18.233 10.527 -3.263) 21.305 22.811 ( 6.424 3.709 4.232) 8.540 23.499 ( -18.748 -10.824 3.249) 21.891 24.011 ( 12.042 6.953 -9.788) 17.005 24.513 ( -5.326 -3.075 0.857) 6.210 24.720 ( 3.131 1.808 -0.057) 3.616 24.998 ( -9.587 -5.535 -0.375) 11.076 25.284 ( -5.860 -3.383 -0.821) 6.816 26.615 ( -7.364 -4.252 -0.489) 8.517 27.686 ( -5.589 -3.227 -0.836) 6.508 27.749 ( -4.884 -2.820 -0.369) 5.652 28.325 ( -5.132 -2.963 -1.853) 6.209 32.295 ( -24.242 -13.996 -0.789) 28.004 32.397 ( -18.590 -10.733 7.155) 22.627 51.110 ( -2.037 -1.176 1.241) 2.660 51.869 ( -1.284 -0.742 1.426) 2.058 52.723 ( -2.861 -1.652 -3.753) 5.000 54.693 ( 0.962 0.556 -0.407) 1.183 55.063 ( -6.552 -3.783 -0.263) 7.571 55.645 ( 8.861 5.116 2.502) 10.533 ======================= Grid point 547 (96/126) ======================= q-point: ( 0.31 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 3.675 2.122 -0.996) 4.358 2.569 ( 14.029 8.100 -0.004) 16.200 2.691 ( 0.081 0.047 -6.179) 6.180 4.350 ( 25.897 14.952 1.339) 29.933 4.459 ( 9.698 5.599 6.004) 12.706 5.529 ( 26.548 15.327 2.101) 30.727 6.184 ( -9.223 -5.325 -0.047) 10.650 7.015 ( -1.537 -0.887 2.963) 3.454 7.804 ( 6.479 3.741 -1.503) 7.631 7.882 ( 2.985 1.723 -0.103) 3.448 8.117 ( -7.190 -4.151 -2.071) 8.557 9.433 ( 11.045 6.377 -1.771) 12.876 12.815 ( 28.539 16.477 -0.016) 32.954 16.141 ( 15.817 9.132 -3.133) 18.530 17.242 ( 27.353 15.792 -2.505) 31.683 21.419 ( 3.190 1.842 0.456) 3.712 22.202 ( 14.804 8.547 -3.215) 17.394 22.646 ( -14.468 -8.353 6.238) 17.833 23.097 ( -15.107 -8.722 2.596) 17.636 24.310 ( -12.289 -7.095 0.770) 14.211 24.420 ( 16.417 9.479 -8.317) 20.701 24.802 ( 4.136 2.388 -0.297) 4.785 24.842 ( -3.846 -2.221 0.004) 4.441 25.149 ( -4.313 -2.490 -1.705) 5.263 26.470 ( -5.159 -2.978 -0.776) 6.007 27.558 ( -5.442 -3.142 -0.806) 6.335 27.623 ( -5.960 -3.441 -0.481) 6.898 28.219 ( -3.967 -2.290 -1.909) 4.962 31.770 ( -20.860 -12.044 -0.327) 24.089 32.050 ( -12.219 -7.055 4.149) 14.707 51.064 ( -1.925 -1.112 1.251) 2.551 51.640 ( -14.226 -8.214 1.610) 16.506 52.905 ( 14.276 8.242 -3.022) 16.759 54.715 ( 0.912 0.527 -0.405) 1.129 54.890 ( -8.573 -4.949 -0.131) 9.900 55.804 ( 5.382 3.107 1.982) 6.523 ======================= Grid point 548 (97/126) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 2.070 1.195 -0.753) 2.506 2.692 ( 0.407 0.235 -2.735) 2.775 2.866 ( 10.592 6.115 -3.303) 12.669 4.648 ( 6.670 3.851 6.537) 10.102 4.896 ( 21.847 12.613 1.110) 25.251 5.966 ( -10.188 -5.882 -0.354) 11.769 5.986 ( 14.099 8.140 1.198) 16.324 6.974 ( -2.201 -1.271 3.444) 4.280 7.878 ( -1.681 -0.971 -1.309) 2.341 7.931 ( 1.413 0.816 -0.080) 1.634 8.139 ( 9.707 5.605 -0.754) 11.235 9.573 ( 1.818 1.049 -1.773) 2.748 13.332 ( 16.608 9.589 -0.408) 19.182 16.515 ( 15.763 9.101 -2.671) 18.397 17.803 ( 20.857 12.042 -2.304) 24.194 21.481 ( 2.181 1.259 0.594) 2.588 22.315 ( -12.882 -7.437 6.285) 16.148 22.386 ( 0.087 0.050 -0.428) 0.440 22.902 ( -0.720 -0.416 -0.388) 0.917 24.011 ( -12.461 -7.194 0.342) 14.393 24.560 ( -2.779 -1.605 -3.560) 4.793 24.798 ( -0.675 -0.390 0.524) 0.940 24.888 ( 2.518 1.454 -0.943) 3.057 25.202 ( 8.310 4.798 -4.051) 10.416 26.383 ( -2.537 -1.465 -0.827) 3.044 27.449 ( -3.986 -2.301 -0.729) 4.660 27.493 ( -5.067 -2.926 -0.835) 5.911 28.148 ( -2.290 -1.322 -1.881) 3.245 31.366 ( -14.279 -8.244 -0.280) 16.491 31.839 ( -6.442 -3.719 2.042) 7.713 51.026 ( -1.379 -0.796 1.304) 2.058 51.342 ( -10.821 -6.248 1.317) 12.565 53.248 ( 14.449 8.342 -1.348) 16.738 54.681 ( -9.344 -5.395 0.009) 10.789 54.733 ( 0.660 0.381 -0.446) 0.883 55.898 ( 2.979 1.720 0.908) 3.557 ======================= Grid point 549 (98/126) ======================= q-point: ( 0.46 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 0.373 0.215 -0.071) 0.436 2.692 ( -0.533 -0.308 -1.273) 1.414 3.030 ( 3.338 1.927 -1.449) 4.118 4.761 ( 3.261 1.883 4.523) 5.886 5.340 ( 17.119 9.884 0.860) 19.786 5.708 ( -12.723 -7.346 -0.759) 14.711 6.197 ( 4.575 2.641 0.708) 5.330 6.927 ( -1.244 -0.718 2.969) 3.299 7.834 ( -1.214 -0.701 -0.308) 1.436 7.951 ( 0.390 0.225 -0.062) 0.455 8.363 ( 6.740 3.891 -0.512) 7.799 9.560 ( -1.629 -0.941 -1.175) 2.218 13.577 ( 5.177 2.989 -0.656) 6.013 16.788 ( 6.811 3.933 -2.322) 8.201 18.144 ( 8.161 4.712 -2.667) 9.793 21.517 ( 0.928 0.536 0.508) 1.186 22.107 ( -4.728 -2.730 6.260) 8.306 22.324 ( -2.355 -1.360 0.393) 2.748 22.951 ( 1.851 1.069 -1.141) 2.423 23.799 ( -5.180 -2.991 0.128) 5.983 24.461 ( -3.433 -1.982 -1.766) 4.340 24.793 ( 0.069 0.040 0.628) 0.633 24.929 ( 1.185 0.684 -1.637) 2.134 25.368 ( 4.341 2.506 -4.676) 6.855 26.346 ( -0.851 -0.491 -0.458) 1.084 27.385 ( -1.504 -0.868 -0.616) 1.842 27.410 ( -1.916 -1.106 -1.277) 2.555 28.114 ( -0.733 -0.423 -1.840) 2.026 31.138 ( -5.438 -3.140 0.448) 6.295 31.747 ( -1.843 -1.064 0.648) 2.224 51.003 ( -0.527 -0.304 1.385) 1.513 51.172 ( -3.861 -2.229 1.276) 4.637 53.507 ( 6.742 3.892 0.142) 7.786 54.500 ( -5.183 -2.993 -0.065) 5.985 54.744 ( 0.267 0.154 -0.519) 0.603 55.945 ( 1.210 0.698 -0.187) 1.409 ======================= Grid point 550 (99/126) ======================= q-point: (-0.46 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( -1.325 -0.765 0.901) 1.776 2.664 ( -2.000 -1.155 1.203) 2.604 3.013 ( -4.560 -2.632 0.137) 5.267 4.791 ( -0.832 -0.480 1.754) 2.000 5.366 ( -16.633 -9.603 -1.498) 19.264 5.690 ( 12.993 7.501 0.839) 15.026 6.194 ( -4.694 -2.710 1.059) 5.523 6.944 ( 2.596 1.499 1.450) 3.330 7.830 ( 0.716 0.413 0.121) 0.836 7.951 ( -0.391 -0.226 -0.059) 0.455 8.363 ( -6.839 -3.949 -0.500) 7.913 9.550 ( 0.863 0.498 -0.242) 1.026 13.576 ( -5.208 -3.007 -0.617) 6.046 16.787 ( -6.920 -3.995 -2.212) 8.291 18.151 ( -7.609 -4.393 -3.289) 9.382 21.522 ( -0.484 -0.280 0.034) 0.560 22.115 ( 5.478 3.163 5.627) 8.466 22.337 ( 3.374 1.948 -0.769) 3.971 22.933 ( -3.324 -1.919 0.471) 3.867 23.799 ( 5.239 3.025 0.114) 6.051 24.452 ( 2.621 1.513 -1.032) 3.198 24.796 ( 0.108 0.062 0.421) 0.439 24.942 ( 0.066 0.038 -2.737) 2.738 25.368 ( -4.556 -2.631 -4.735) 7.078 26.340 ( 0.369 0.213 0.118) 0.442 27.383 ( 1.383 0.798 -0.491) 1.671 27.413 ( 2.172 1.254 -1.547) 2.947 28.114 ( 0.719 0.415 -1.832) 2.011 31.125 ( 4.311 2.489 1.593) 5.227 31.752 ( 2.278 1.315 0.250) 2.643 51.002 ( 0.439 0.253 1.476) 1.560 51.172 ( 3.909 2.257 1.243) 4.682 53.494 ( -7.822 -4.516 1.306) 9.126 54.502 ( 5.282 3.049 -0.233) 6.103 54.745 ( -0.182 -0.105 -0.606) 0.641 55.955 ( -0.372 -0.215 -1.050) 1.135 ======================= Grid point 551 (100/126) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -3.022 -1.745 2.154) 4.100 2.599 ( -3.881 -2.241 4.884) 6.628 2.848 ( -9.017 -5.206 -0.882) 10.449 4.712 ( -6.238 -3.602 0.710) 7.238 4.934 ( -21.242 -12.264 -2.310) 24.637 5.955 ( 10.438 6.027 0.684) 12.073 5.991 ( -13.373 -7.721 0.824) 15.463 7.015 ( 3.006 1.736 -0.282) 3.483 7.854 ( 0.472 0.272 0.835) 0.997 7.931 ( -1.402 -0.809 -0.088) 1.621 8.133 ( -10.001 -5.774 -0.286) 11.552 9.557 ( -1.480 -0.854 -0.349) 1.744 13.331 ( -16.591 -9.579 -0.354) 19.160 16.511 ( -15.852 -9.152 -2.349) 18.454 17.818 ( -20.714 -11.959 -3.663) 24.197 21.495 ( -1.911 -1.103 -0.616) 2.291 22.345 ( 14.184 8.189 3.819) 16.818 22.393 ( -2.616 -1.510 -1.095) 3.213 22.880 ( 2.860 1.651 1.640) 3.687 24.015 ( 12.722 7.345 -0.033) 14.690 24.533 ( 2.199 1.270 -1.270) 2.839 24.802 ( 0.584 0.337 0.199) 0.703 24.939 ( -0.713 -0.412 -5.775) 5.833 25.179 ( -10.154 -5.862 -1.913) 11.880 26.370 ( 2.430 1.403 0.407) 2.835 27.445 ( 3.900 2.252 -0.388) 4.520 27.501 ( 5.208 3.007 -1.518) 6.203 28.147 ( 2.266 1.308 -1.841) 3.199 31.326 ( 13.027 7.521 3.349) 15.410 31.858 ( 7.279 4.203 0.368) 8.413 51.023 ( 1.307 0.755 1.560) 2.171 51.346 ( 11.091 6.404 1.007) 12.847 53.212 ( -15.411 -8.897 1.851) 17.891 54.682 ( 9.231 5.329 -0.099) 10.659 54.736 ( -0.593 -0.343 -0.689) 0.972 55.926 ( -2.250 -1.299 -1.591) 3.047 ======================= Grid point 552 (101/126) ======================= q-point: (-0.31 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( -4.656 -2.688 3.844) 6.609 2.455 ( -9.380 -5.415 8.205) 13.588 2.675 ( -4.492 -2.594 -2.786) 5.888 4.404 ( -25.125 -14.506 -3.448) 29.216 4.516 ( -10.501 -6.063 0.999) 12.167 5.547 ( -26.394 -15.239 0.487) 30.482 6.178 ( 9.427 5.443 0.523) 10.898 7.068 ( 1.909 1.102 -1.904) 2.913 7.778 ( -5.701 -3.292 0.839) 6.637 7.882 ( -2.969 -1.714 -0.143) 3.431 8.073 ( 4.247 2.452 1.849) 5.241 9.441 ( -9.182 -5.301 -2.445) 10.880 12.815 ( -28.513 -16.462 -0.018) 32.923 16.136 ( -15.799 -9.122 -2.728) 18.446 17.256 ( -27.533 -15.896 -3.779) 32.017 21.437 ( -3.128 -1.806 -1.123) 3.782 22.145 ( -16.665 -9.622 2.031) 19.350 22.719 ( 17.156 9.905 0.366) 19.814 23.133 ( 16.865 9.737 -0.751) 19.489 24.320 ( 12.562 7.253 -0.189) 14.507 24.392 ( -17.646 -10.188 -6.489) 21.384 24.812 ( -6.779 -3.914 -1.595) 7.989 24.840 ( 3.445 1.989 0.223) 3.984 25.135 ( 5.627 3.249 -0.152) 6.499 26.458 ( 5.322 3.073 0.359) 6.156 27.553 ( 5.413 3.125 -0.346) 6.259 27.632 ( 5.954 3.438 -1.296) 6.996 28.218 ( 3.955 2.284 -1.829) 4.920 31.703 ( 19.767 11.412 5.902) 23.575 32.092 ( 13.349 7.707 0.312) 15.418 51.060 ( 1.887 1.089 1.621) 2.716 51.656 ( 15.173 8.760 0.156) 17.521 52.845 ( -15.586 -8.999 2.475) 18.167 54.719 ( -0.878 -0.507 -0.752) 1.263 54.888 ( 8.484 4.898 -0.011) 9.797 55.846 ( -4.961 -2.864 -1.785) 6.000 ======================= Grid point 553 (102/126) ======================= q-point: (-0.23 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -5.954 -3.438 6.415) 9.403 2.215 ( -10.361 -5.982 6.208) 13.479 2.645 ( 1.391 0.803 1.275) 2.051 3.804 ( -27.070 -15.629 -5.121) 31.674 4.261 ( -11.343 -6.549 1.108) 13.144 4.798 ( -38.112 -22.004 0.259) 44.009 6.395 ( 9.792 5.653 0.341) 11.312 7.119 ( 2.631 1.519 -3.130) 4.362 7.679 ( -2.908 -1.679 0.688) 3.427 7.792 ( -5.016 -2.896 -0.192) 5.796 8.217 ( 6.059 3.498 5.999) 9.216 9.153 ( -14.226 -8.213 -6.971) 17.844 12.070 ( -35.553 -20.527 0.244) 41.054 15.826 ( -11.171 -6.450 -3.262) 13.306 16.614 ( -27.812 -16.057 -3.863) 32.346 21.350 ( -4.861 -2.806 -1.307) 5.763 21.731 ( -18.001 -10.393 3.690) 21.111 22.967 ( -3.670 -2.119 -8.961) 9.912 23.557 ( 19.125 11.042 -2.055) 22.179 23.898 ( -15.703 -9.066 -0.764) 18.148 24.525 ( 5.032 2.905 -0.153) 5.813 24.714 ( -2.925 -1.689 0.560) 3.423 24.990 ( 9.551 5.514 0.395) 11.035 25.283 ( 6.085 3.513 -0.697) 7.061 26.608 ( 7.583 4.378 0.208) 8.759 27.681 ( 5.618 3.243 -0.378) 6.498 27.757 ( 4.775 2.757 -1.058) 5.615 28.324 ( 5.152 2.974 -1.778) 6.209 32.212 ( 24.423 14.100 7.462) 29.172 32.460 ( 18.833 10.873 0.803) 21.761 51.105 ( 2.043 1.179 1.646) 2.876 51.906 ( 1.034 0.597 -2.065) 2.385 52.639 ( 3.322 1.918 4.065) 5.589 54.698 ( -0.970 -0.560 -0.781) 1.365 55.060 ( 6.552 3.783 -0.037) 7.566 55.689 ( -9.029 -5.213 -1.655) 10.556 ======================= Grid point 554 (103/126) ======================= q-point: (-0.15 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( -6.237 -3.601 10.661) 12.866 2.018 ( -6.682 -3.858 5.970) 9.756 2.721 ( 4.461 2.576 6.301) 8.139 3.202 ( -24.956 -14.409 -7.874) 29.874 3.834 ( -37.304 -21.538 9.272) 44.062 4.090 ( -9.711 -5.606 -10.201) 15.159 6.626 ( 10.481 6.051 0.168) 12.103 7.171 ( 1.310 0.757 -3.947) 4.227 7.634 ( -1.256 -0.725 0.824) 1.668 7.654 ( -7.007 -4.045 -0.204) 8.093 8.119 ( -18.856 -10.887 5.071) 22.356 9.037 ( 8.992 5.192 -5.879) 11.932 11.272 ( -32.799 -18.936 0.387) 37.875 15.625 ( -6.722 -3.881 -3.794) 8.639 16.032 ( -22.488 -12.983 -4.002) 26.273 21.171 ( -11.378 -6.569 0.808) 13.163 21.421 ( -7.694 -4.442 1.952) 9.096 22.329 ( -43.686 -25.222 -12.375) 51.940 23.940 ( 11.762 6.791 3.697) 14.075 23.960 ( 15.475 8.935 -2.434) 18.034 24.586 ( 1.228 0.709 0.273) 1.444 24.660 ( -1.883 -1.087 0.242) 2.188 25.221 ( 9.632 5.561 0.406) 11.130 25.392 ( 3.470 2.003 -0.492) 4.037 26.783 ( 7.328 4.231 0.054) 8.462 27.799 ( 4.565 2.635 -0.462) 5.291 27.846 ( 3.037 1.754 -0.884) 3.617 28.441 ( 4.809 2.776 -1.708) 5.810 32.731 ( 18.810 10.860 2.201) 21.831 32.979 ( 27.187 15.696 5.573) 31.884 51.149 ( 1.731 0.999 1.627) 2.577 51.681 ( -15.537 -8.970 -1.560) 18.008 53.022 ( 25.177 14.536 2.900) 29.217 54.677 ( -0.839 -0.484 -0.768) 1.236 55.184 ( 4.259 2.459 -0.117) 4.919 55.423 ( -14.495 -8.369 -1.307) 16.788 ======================= Grid point 555 (104/126) ======================= q-point: (-0.08 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -3.878 -2.239 16.477) 17.075 1.900 ( -4.473 -2.582 10.108) 11.351 2.701 ( -12.054 -6.959 -2.252) 14.099 2.717 ( -16.480 -9.515 -11.836) 22.410 3.165 ( -11.648 -6.725 26.180) 29.433 4.009 ( 0.765 0.441 -21.115) 21.133 6.861 ( 9.572 5.526 0.040) 11.053 7.140 ( -5.512 -3.182 -3.105) 7.082 7.483 ( -7.601 -4.388 -0.170) 8.779 7.576 ( -19.770 -11.414 0.827) 22.843 7.620 ( -1.187 -0.685 0.917) 1.648 9.405 ( 17.772 10.261 -0.261) 20.524 10.655 ( -19.806 -11.435 0.450) 22.875 15.513 ( -3.215 -1.856 -4.154) 5.572 15.624 ( -12.712 -7.339 -4.142) 15.252 20.926 ( -8.148 -4.704 1.972) 9.613 21.323 ( -2.256 -1.302 0.217) 2.614 21.329 ( -38.256 -22.087 -5.045) 44.461 24.195 ( 8.915 5.147 1.599) 10.417 24.232 ( 7.919 4.572 -2.034) 9.367 24.604 ( 0.645 0.372 0.722) 1.037 24.628 ( -0.924 -0.534 0.165) 1.080 25.397 ( 5.458 3.151 0.348) 6.312 25.446 ( 1.417 0.818 -0.097) 1.639 26.921 ( 4.380 2.529 -0.041) 5.058 27.882 ( 2.559 1.477 -0.568) 3.009 27.896 ( 1.436 0.829 -0.767) 1.826 28.530 ( 2.843 1.641 -1.651) 3.675 33.058 ( 9.954 5.747 0.063) 11.494 33.586 ( 22.629 13.065 3.255) 26.332 51.181 ( 1.012 0.584 1.563) 1.952 51.344 ( -12.203 -7.046 0.157) 14.092 53.649 ( 28.046 16.192 1.170) 32.406 54.661 ( -0.506 -0.292 -0.713) 0.921 55.016 ( -19.949 -11.517 -0.774) 23.048 55.267 ( 2.078 1.200 -0.260) 2.414 ======================= Grid point 557 (105/126) ======================= q-point: ( 0.08 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 5.186 6.245 10.128) 12.980 1.997 ( 4.512 5.254 5.542) 8.870 2.775 ( 1.127 -4.062 6.087) 7.404 3.022 ( 10.052 24.989 -6.307) 27.663 3.592 ( 19.771 35.800 9.604) 42.009 4.048 ( 3.682 5.805 -11.363) 13.280 6.704 ( -5.470 -9.529 0.162) 10.989 7.136 ( -2.725 0.723 -1.186) 3.058 7.576 ( 2.502 3.423 0.251) 4.247 7.629 ( 0.734 1.088 0.771) 1.522 8.084 ( 22.310 28.369 -3.026) 36.218 9.071 ( -13.427 -17.143 -0.580) 21.783 11.080 ( 17.588 30.473 0.416) 35.187 15.583 ( 3.060 5.329 -3.909) 7.283 15.904 ( 11.744 20.482 -3.958) 23.939 21.112 ( 7.589 10.326 0.103) 12.815 21.390 ( 4.253 5.682 0.534) 7.117 22.022 ( 22.870 46.983 -7.239) 52.753 24.003 ( -8.516 -13.197 2.830) 15.959 24.067 ( -5.588 -12.974 -2.948) 14.431 24.594 ( -0.536 -1.029 0.348) 1.211 24.646 ( 0.780 1.636 0.319) 1.840 25.277 ( -4.978 -9.112 0.139) 10.384 25.415 ( -1.436 -2.254 -0.278) 2.687 26.826 ( -3.877 -6.879 -0.071) 7.896 27.825 ( -2.362 -4.354 -0.636) 4.994 27.864 ( -1.503 -2.283 -0.672) 2.815 28.469 ( -2.573 -4.481 -1.703) 5.441 32.844 ( -8.575 -15.718 0.521) 17.913 33.145 ( -16.701 -28.624 6.089) 33.695 51.161 ( -0.785 -1.665 1.453) 2.345 51.586 ( 9.049 16.318 -0.844) 18.678 53.191 ( -14.457 -28.102 0.818) 31.613 54.675 ( 0.544 1.196 -0.665) 1.473 55.220 ( -1.766 -3.459 -0.252) 3.892 55.305 ( 7.767 16.130 0.167) 17.904 ======================= Grid point 558 (106/126) ======================= q-point: ( 0.15 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 10.048 8.032 4.259) 13.550 2.130 ( 4.301 5.804 1.415) 7.361 2.720 ( -0.888 -3.969 -0.060) 4.068 3.546 ( 19.020 27.378 -1.293) 33.362 4.140 ( 8.771 12.191 4.026) 15.549 4.473 ( 28.417 30.525 -0.952) 41.715 6.507 ( -8.254 -5.903 0.137) 10.148 7.091 ( -2.577 -0.251 1.137) 2.828 7.604 ( 3.050 -7.538 -0.080) 8.132 7.682 ( 4.022 1.866 -0.010) 4.434 8.633 ( -8.667 14.843 -9.990) 19.880 8.808 ( 16.135 1.369 4.945) 16.931 11.793 ( 27.224 32.815 0.341) 42.639 15.728 ( 7.342 6.568 -3.630) 10.499 16.398 ( 19.557 23.721 -3.423) 30.934 21.293 ( 4.337 4.585 -0.387) 6.324 21.636 ( 13.682 12.061 -0.736) 18.254 22.799 ( 14.659 30.504 -2.730) 33.954 23.664 ( -14.761 -13.936 3.668) 20.629 23.883 ( 2.410 -8.122 -6.810) 10.869 24.552 ( -2.870 -2.790 0.546) 4.040 24.689 ( 2.225 1.634 0.094) 2.762 25.069 ( -7.354 -9.638 -0.132) 12.124 25.347 ( -3.989 -2.552 -0.664) 4.782 26.667 ( -5.800 -7.745 -0.251) 9.679 27.721 ( -3.912 -5.426 -0.708) 6.726 27.799 ( -3.340 -2.479 -0.534) 4.193 28.363 ( -3.978 -5.029 -1.812) 6.663 32.487 ( -13.767 -16.663 0.068) 21.614 32.555 ( -20.032 -23.100 7.247) 31.423 51.124 ( -1.364 -1.879 1.328) 2.675 51.895 ( 6.065 13.674 -0.051) 14.959 52.709 ( -9.616 -21.313 -1.233) 23.415 54.697 ( 0.282 1.588 -0.598) 1.720 55.135 ( -4.450 -2.604 -0.417) 5.173 55.562 ( 7.601 8.632 1.658) 11.621 ======================= Grid point 559 (107/126) ======================= q-point: ( 0.23 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 2.813 5.923 -0.252) 6.562 2.414 ( 13.403 8.736 0.499) 16.007 2.689 ( 0.049 -0.813 -3.854) 3.939 4.156 ( 20.538 25.788 0.324) 32.969 4.388 ( 8.095 10.492 4.938) 14.142 5.242 ( 27.188 22.758 1.930) 35.509 6.312 ( -9.540 -2.911 -0.012) 9.974 7.047 ( -2.814 0.388 2.401) 3.719 7.565 ( 7.284 -15.547 -1.143) 17.207 7.801 ( 6.709 3.891 -0.657) 7.783 8.444 ( -16.644 11.020 -2.091) 20.071 9.243 ( 17.576 6.020 -1.507) 18.639 12.580 ( 26.235 30.442 0.171) 40.187 15.971 ( 12.922 7.880 -3.353) 15.503 16.999 ( 22.670 22.748 -2.763) 32.234 21.385 ( 3.053 2.493 0.153) 3.945 22.012 ( 15.417 9.641 -1.371) 18.235 22.919 ( -15.269 6.036 2.969) 16.685 23.258 ( -16.131 -12.702 3.657) 20.855 24.153 ( 22.904 7.082 -9.868) 25.925 24.409 ( -7.922 -7.793 0.807) 11.142 24.746 ( 2.795 0.453 -0.259) 2.843 24.892 ( -4.033 -3.674 -0.022) 5.455 25.227 ( -6.738 -2.622 -1.125) 7.317 26.497 ( -4.640 -7.719 -0.543) 9.022 27.594 ( -4.310 -5.604 -0.718) 7.106 27.701 ( -5.387 -2.253 -0.503) 5.861 28.246 ( -3.561 -4.927 -1.924) 6.377 31.997 ( -20.671 -15.216 0.050) 25.668 32.133 ( -10.185 -15.513 5.104) 19.247 51.081 ( -1.506 -1.519 1.269) 2.486 51.867 ( -16.769 0.276 1.902) 16.879 52.637 ( 16.721 -6.501 -3.018) 18.192 54.706 ( -0.387 -0.490 -0.430) 0.758 55.024 ( -7.155 0.950 -0.561) 7.240 55.737 ( 5.910 3.978 1.963) 7.389 ======================= Grid point 560 (108/126) ======================= q-point: ( 0.31 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 0.936 5.638 -0.526) 5.740 2.688 ( 2.279 1.825 0.221) 2.928 2.732 ( 10.895 6.040 -5.866) 13.770 4.607 ( 6.037 9.382 6.235) 12.781 4.733 ( 17.966 22.789 0.847) 29.032 5.797 ( 18.041 11.148 1.625) 21.269 6.119 ( -11.032 -0.965 -0.291) 11.078 6.983 ( -3.251 -3.895 3.170) 5.982 7.597 ( 12.539 -11.574 -1.357) 17.118 7.993 ( 9.466 6.954 -1.037) 11.791 8.294 ( -15.175 12.692 -0.343) 19.786 9.485 ( 8.276 -1.008 -1.701) 8.509 13.228 ( 16.329 24.971 -0.145) 29.837 16.317 ( 17.099 8.825 -2.985) 19.473 17.574 ( 20.772 16.167 -2.307) 26.423 21.452 ( 2.504 1.366 0.425) 2.884 22.253 ( 4.879 -1.872 1.907) 5.563 22.676 ( -18.167 8.967 1.854) 20.344 22.935 ( -6.864 -6.771 1.457) 9.751 24.135 ( -10.806 -9.479 0.156) 14.375 24.536 ( 8.906 2.754 -5.930) 11.048 24.771 ( 2.074 -2.155 -0.525) 3.037 24.876 ( 1.112 2.002 0.394) 2.324 25.122 ( 0.089 -1.077 -2.420) 2.651 26.370 ( -1.439 -7.137 -0.760) 7.320 27.475 ( -3.489 -4.458 -0.688) 5.703 27.578 ( -6.443 -1.603 -0.685) 6.675 28.153 ( -1.835 -4.387 -1.943) 5.137 31.544 ( -16.977 -10.401 -0.421) 19.914 31.870 ( -5.377 -10.684 3.047) 12.343 51.048 ( -1.261 -0.136 1.272) 1.796 51.538 ( -17.249 -2.395 1.468) 17.477 52.939 ( 21.595 -4.621 -1.584) 22.141 54.655 ( -2.218 -5.805 -0.169) 6.217 54.931 ( -8.483 8.388 -0.676) 11.949 55.849 ( 4.248 1.246 1.291) 4.611 ======================= Grid point 561 (109/126) ======================= q-point: ( 0.38 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( -1.061 5.130 -0.201) 5.242 2.706 ( -0.376 1.220 -1.766) 2.179 2.958 ( 7.675 3.030 -2.300) 8.566 4.762 ( 2.333 7.587 5.727) 9.788 5.215 ( 14.403 18.576 0.740) 23.517 5.896 ( -13.746 -0.237 -0.434) 13.755 6.111 ( 9.510 4.354 0.537) 10.473 6.870 ( -0.826 -9.983 2.962) 10.446 7.730 ( 9.688 -2.705 -0.500) 10.071 8.149 ( -11.339 10.632 -0.114) 15.544 8.254 ( 8.597 5.150 -0.400) 10.029 9.533 ( 1.815 -4.772 -1.382) 5.290 13.614 ( 3.774 18.700 -0.471) 19.083 16.673 ( 13.094 7.102 -2.560) 15.114 17.984 ( 14.255 4.782 -2.372) 15.222 21.496 ( 1.719 0.249 0.488) 1.804 22.175 ( -5.614 -3.403 5.340) 8.462 22.479 ( -12.891 6.352 1.297) 14.429 22.922 ( 3.053 2.151 -1.387) 3.984 23.898 ( -8.494 -3.055 0.051) 9.027 24.519 ( -5.396 -2.244 -2.363) 6.304 24.796 ( 0.655 0.467 -0.084) 0.809 24.904 ( 1.694 -0.223 -0.901) 1.931 25.230 ( 10.115 -2.681 -3.959) 11.189 26.304 ( 1.386 -6.504 -0.636) 6.681 27.397 ( -1.650 -1.937 -0.651) 2.627 27.464 ( -5.083 -0.688 -1.017) 5.229 28.098 ( 0.037 -3.667 -1.895) 4.128 31.232 ( -10.120 -5.072 -0.005) 11.320 31.732 ( -0.991 -6.904 1.200) 7.077 51.042 ( -0.878 2.976 1.321) 3.372 51.273 ( -11.268 -1.210 1.326) 11.410 53.225 ( 19.141 -10.253 -0.240) 21.715 54.535 ( -3.943 -5.601 -0.090) 6.850 54.898 ( -7.776 12.146 -0.645) 14.437 55.912 ( 2.760 -0.362 0.273) 2.797 ======================= Grid point 562 (110/126) ======================= q-point: ( 0.46 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( -3.029 4.492 0.393) 5.432 2.697 ( -1.933 0.845 -0.004) 2.110 3.031 ( -0.011 -1.700 -0.460) 1.761 4.835 ( -1.397 5.339 3.217) 6.388 5.563 ( 2.964 2.088 0.277) 3.636 5.648 ( -10.507 11.663 -0.556) 15.708 6.217 ( 0.044 -0.788 0.871) 1.175 6.810 ( 6.532 -9.567 1.772) 11.719 7.816 ( 0.618 -1.456 -0.020) 1.581 8.078 ( -6.405 11.124 0.249) 12.838 8.380 ( 1.174 -1.977 -0.433) 2.339 9.507 ( 1.827 -4.217 -0.592) 4.634 13.736 ( -7.355 12.702 -0.578) 14.690 16.831 ( -0.330 0.387 -2.265) 2.322 18.135 ( 3.631 -5.584 -2.935) 7.279 21.515 ( 0.693 -0.629 0.176) 0.952 22.103 ( -0.977 2.058 5.829) 6.259 22.405 ( -4.454 9.453 -0.131) 10.451 22.959 ( -0.982 -0.218 -0.394) 1.080 23.807 ( -2.237 3.786 0.093) 4.398 24.444 ( -0.541 0.163 -1.434) 1.541 24.801 ( -0.508 0.547 0.619) 0.970 24.928 ( 1.498 -0.705 -2.451) 2.958 25.311 ( 4.549 -8.054 -4.235) 10.173 26.282 ( 3.048 -5.856 -0.157) 6.603 27.380 ( -0.174 0.468 -0.524) 0.724 27.409 ( -0.564 0.958 -1.376) 1.769 28.081 ( 1.643 -2.854 -1.868) 3.786 31.113 ( -1.063 0.675 0.860) 1.525 31.692 ( 2.759 -4.338 0.321) 5.151 51.066 ( -3.840 6.528 1.421) 7.706 51.153 ( -0.138 0.310 1.280) 1.324 53.343 ( 9.960 -18.238 0.835) 20.797 54.463 ( 0.420 -0.622 -0.187) 0.773 54.893 ( -7.332 12.626 -0.573) 14.612 55.938 ( 1.346 -1.426 -0.654) 2.067 ======================= Grid point 564 (111/126) ======================= q-point: (-0.46 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( -4.933 3.718 1.164) 6.286 2.655 ( -3.677 0.301 2.580) 4.502 2.934 ( -6.731 -5.123 0.073) 8.459 4.809 ( -6.130 1.973 1.398) 6.590 5.241 ( -22.508 -3.556 -1.543) 22.839 5.885 ( 7.212 12.335 0.556) 14.299 6.105 ( -8.107 -6.280 1.114) 10.316 6.899 ( 10.128 -3.907 0.311) 10.860 7.723 ( -3.066 -9.729 0.171) 10.202 8.141 ( -4.232 13.105 0.538) 13.782 8.257 ( -8.625 -3.120 -0.674) 9.197 9.518 ( 2.910 -3.980 -0.026) 4.931 13.613 ( -18.095 6.093 -0.425) 19.098 16.670 ( -12.767 -7.905 -2.277) 15.187 17.996 ( -10.908 -9.839 -3.416) 15.082 21.506 ( -0.724 -1.213 -0.418) 1.473 22.185 ( 6.610 3.054 4.527) 8.574 22.507 ( 1.181 15.239 -1.209) 15.332 22.889 ( -3.980 -2.241 1.597) 4.839 23.897 ( 7.076 5.688 0.059) 9.079 24.504 ( 3.792 3.478 -1.113) 5.264 24.790 ( -0.310 -1.254 0.319) 1.331 24.944 ( 0.692 0.592 -4.315) 4.410 25.219 ( -3.629 -11.247 -3.124) 12.224 26.295 ( 4.607 -4.506 0.270) 6.450 27.398 ( 2.362 0.597 -0.695) 2.533 27.466 ( 3.388 3.930 -1.199) 5.326 28.098 ( 3.136 -1.866 -1.882) 4.106 31.208 ( 8.238 5.808 2.143) 10.305 31.742 ( 7.076 -2.244 0.268) 7.428 51.041 ( -2.214 2.248 1.470) 3.481 51.275 ( 6.792 9.230 1.198) 11.522 53.206 ( -1.750 -21.706 1.458) 21.826 54.536 ( 6.891 0.574 -0.228) 6.919 54.896 ( -6.579 12.519 -0.498) 14.152 55.929 ( -0.261 -2.329 -1.282) 2.671 ======================= Grid point 565 (112/126) ======================= q-point: (-0.38 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( -6.738 2.782 2.185) 7.610 2.566 ( -7.247 -1.272 6.649) 9.917 2.744 ( -7.509 -4.699 -2.492) 9.202 4.661 ( -11.214 -1.734 1.267) 11.418 4.769 ( -27.647 -4.768 -2.337) 28.152 5.809 ( -18.045 -9.982 0.639) 20.632 6.109 ( 6.623 9.199 0.597) 11.351 7.031 ( 5.809 1.021 -1.118) 6.003 7.576 ( 3.057 -17.026 0.555) 17.307 7.977 ( -10.793 -4.640 0.362) 11.754 8.287 ( -4.673 19.269 0.255) 19.829 9.477 ( -2.403 -7.162 -0.956) 7.615 13.227 ( -29.771 -1.632 -0.125) 29.816 16.313 ( -16.202 -10.384 -2.593) 19.418 17.587 ( -24.376 -10.142 -3.549) 26.639 21.467 ( -2.244 -1.613 -0.899) 2.906 22.252 ( -3.694 -5.821 1.783) 7.121 22.686 ( 2.370 18.176 1.667) 18.406 22.950 ( 12.684 5.558 0.001) 13.849 24.136 ( 13.818 4.063 -0.056) 14.403 24.520 ( -6.488 -4.762 -4.560) 9.250 24.771 ( 0.984 -3.357 -0.360) 3.517 24.915 ( -5.460 -2.920 -4.138) 7.447 25.095 ( 2.201 1.084 0.518) 2.508 26.359 ( 6.883 -2.114 0.338) 7.208 27.474 ( 5.422 0.923 -0.599) 5.533 27.582 ( 4.832 4.585 -1.086) 6.749 28.152 ( 4.689 -0.600 -1.893) 5.092 31.495 ( 16.080 9.229 4.171) 19.004 31.900 ( 13.003 -0.077 0.350) 13.008 51.045 ( 0.669 1.077 1.519) 1.979 51.546 ( 11.221 14.026 0.768) 17.978 52.901 ( -8.169 -20.720 1.819) 22.346 54.658 ( 6.218 -1.035 -0.380) 6.315 54.928 ( -2.959 11.212 -0.319) 11.600 55.879 ( -2.501 -3.258 -1.506) 4.375 ======================= Grid point 566 (113/126) ======================= q-point: (-0.31 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -8.275 1.853 3.739) 9.268 2.361 ( -12.011 -4.001 5.885) 13.961 2.650 ( -1.368 0.076 -0.903) 1.641 4.201 ( -31.362 -6.375 -3.596) 32.205 4.425 ( -13.434 -3.276 1.788) 13.943 5.255 ( -33.537 -12.694 0.673) 35.865 6.307 ( 7.492 6.868 0.459) 10.174 7.102 ( 1.177 2.147 -2.568) 3.548 7.539 ( 10.539 -14.532 1.313) 18.000 7.786 ( -6.715 -3.544 0.599) 7.617 8.398 ( -4.998 20.122 1.917) 20.822 9.271 ( -10.944 -11.459 -3.978) 16.337 12.581 ( -39.471 -7.500 0.154) 40.177 15.968 ( -13.237 -7.126 -3.062) 15.342 17.008 ( -31.160 -8.647 -3.592) 32.536 21.399 ( -3.656 -1.860 -1.125) 4.254 21.967 ( -18.042 -6.778 2.615) 19.450 22.977 ( 8.700 13.399 -1.107) 16.014 23.320 ( 19.224 9.095 -1.909) 21.352 24.097 ( -21.287 -17.420 -5.995) 28.152 24.424 ( 10.275 2.644 -0.600) 10.627 24.737 ( -1.751 -2.269 0.644) 2.937 24.890 ( 4.595 1.703 0.138) 4.903 25.223 ( 5.879 4.827 -0.771) 7.646 26.489 ( 9.111 0.477 0.201) 9.126 27.592 ( 6.883 1.086 -0.523) 6.988 27.706 ( 4.746 3.273 -0.937) 5.841 28.245 ( 6.043 0.649 -1.858) 6.355 31.924 ( 22.466 10.357 6.724) 25.636 32.188 ( 19.560 1.715 0.146) 19.635 51.078 ( 2.007 0.664 1.551) 2.622 51.897 ( 9.501 15.485 -0.796) 18.185 52.574 ( -4.671 -17.291 2.757) 18.122 54.708 ( 0.664 -0.041 -0.652) 0.932 55.020 ( 2.873 6.564 -0.133) 7.166 55.773 ( -5.963 -4.145 -1.272) 7.373 ======================= Grid point 567 (114/126) ======================= q-point: (-0.23 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( -9.309 1.124 6.403) 11.354 2.137 ( -9.780 -1.887 4.389) 10.885 2.679 ( 3.068 2.367 2.660) 4.700 3.589 ( -31.966 -6.472 -4.919) 32.984 4.164 ( -13.914 -3.431 2.725) 14.587 4.468 ( -42.246 -9.296 -1.059) 43.270 6.506 ( 9.348 4.287 0.299) 10.288 7.133 ( 1.808 -1.008 -2.698) 3.400 7.592 ( 5.767 -6.224 1.155) 8.563 7.674 ( -3.524 -1.672 0.715) 3.966 8.474 ( -13.473 16.465 4.928) 21.838 8.947 ( -5.387 -12.735 -8.193) 16.072 11.794 ( -42.033 -7.183 0.328) 42.644 15.727 ( -9.299 -2.972 -3.545) 10.386 16.401 ( -30.427 -5.410 -3.729) 31.128 21.297 ( -6.864 -1.962 -0.801) 7.184 21.600 ( -17.249 -2.413 2.501) 17.595 22.888 ( -34.072 -5.364 -10.768) 36.133 23.723 ( 18.254 3.132 0.190) 18.522 23.784 ( 7.760 -0.114 0.187) 7.763 24.557 ( 3.569 0.612 0.052) 3.622 24.686 ( -2.254 -0.852 0.403) 2.443 25.065 ( 11.966 1.942 0.242) 12.125 25.347 ( 4.298 2.168 -0.674) 4.861 26.664 ( 9.686 1.433 0.038) 9.792 27.719 ( 6.604 0.873 -0.541) 6.683 27.802 ( 3.837 1.350 -0.796) 4.145 28.362 ( 6.353 0.969 -1.779) 6.668 32.438 ( 25.014 7.777 5.657) 26.799 32.595 ( 26.469 2.445 2.499) 26.699 51.121 ( 2.279 0.453 1.536) 2.785 51.914 ( -16.121 -0.113 -1.891) 16.232 52.666 ( 24.363 1.490 2.779) 24.566 54.699 ( -1.474 0.368 -0.745) 1.692 55.132 ( 4.546 2.689 -0.159) 5.285 55.586 ( -11.201 -4.347 -0.623) 12.031 ======================= Grid point 572 (115/126) ======================= q-point: ( 0.15 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 6.103 6.913 2.062) 9.449 2.313 ( 7.173 10.817 2.182) 13.162 2.669 ( 1.098 -0.947 -0.844) 1.678 4.129 ( 16.063 30.522 -2.176) 34.560 4.383 ( 6.343 13.063 3.425) 14.920 5.114 ( 17.768 31.522 1.288) 36.208 6.393 ( -3.063 -5.749 0.234) 6.518 7.112 ( -1.518 2.617 -0.599) 3.084 7.377 ( -5.632 -13.291 0.478) 14.443 7.756 ( 3.820 5.709 0.041) 6.869 8.694 ( 2.428 -1.356 0.851) 2.908 9.069 ( 6.246 15.543 -3.906) 17.200 12.509 ( 21.984 38.093 0.251) 43.982 15.892 ( 6.079 10.341 -3.363) 12.458 16.921 ( 15.875 28.005 -3.150) 32.345 21.374 ( 1.656 3.698 -0.532) 4.086 21.910 ( 10.051 14.872 1.242) 17.993 23.123 ( -3.307 -3.812 -0.658) 5.090 23.414 ( -12.412 -11.719 2.087) 17.198 23.888 ( 13.146 14.658 -8.625) 21.496 24.442 ( -5.677 -8.888 0.161) 10.547 24.720 ( 1.286 1.494 0.212) 1.983 24.906 ( -3.077 -5.451 0.094) 6.260 25.280 ( -2.542 -4.497 -0.956) 5.254 26.493 ( -5.228 -9.485 -0.143) 10.832 27.603 ( -3.589 -6.297 -0.637) 7.276 27.740 ( -2.229 -3.624 -0.636) 4.301 28.251 ( -3.474 -6.068 -1.919) 7.250 32.086 ( -6.413 -22.197 6.823) 24.091 32.154 ( -15.939 -17.559 -0.473) 23.719 51.085 ( -0.951 -1.828 1.386) 2.483 52.185 ( -2.727 15.250 0.489) 15.500 52.274 ( 0.015 -21.875 -0.040) 21.875 54.709 ( -0.643 -0.995 -0.553) 1.307 55.097 ( -0.218 -0.871 -0.574) 1.066 55.712 ( 2.380 6.392 0.506) 6.839 ======================= Grid point 573 (116/126) ======================= q-point: ( 0.23 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 1.601 8.249 0.740) 8.435 2.581 ( 11.604 7.943 0.099) 14.062 2.693 ( 1.431 1.277 -2.852) 3.437 4.615 ( 6.383 13.017 4.740) 15.253 4.704 ( 15.463 27.474 -0.272) 31.528 5.638 ( 15.029 16.449 1.478) 22.330 6.285 ( -6.584 0.245 -0.036) 6.588 7.038 ( -8.871 -4.685 2.531) 10.347 7.287 ( 10.877 -7.625 -1.891) 13.418 7.917 ( 7.134 7.546 -0.536) 10.398 8.645 ( -10.362 7.804 -0.218) 12.973 9.305 ( 9.940 0.551 -1.521) 10.071 13.229 ( 18.815 33.992 0.121) 38.852 16.149 ( 12.131 10.537 -3.213) 16.386 17.442 ( 15.561 20.542 -2.541) 25.896 21.431 ( 1.701 2.093 -0.105) 2.699 22.174 ( 6.493 6.398 2.015) 9.336 22.949 ( -5.796 -6.327 0.571) 8.599 23.093 ( -17.246 -0.347 1.997) 17.364 24.173 ( -3.208 -9.091 -2.233) 9.895 24.333 ( 12.569 5.246 -5.614) 14.732 24.742 ( 0.120 -0.574 -0.004) 0.586 24.865 ( 0.754 0.054 0.227) 0.789 25.171 ( -5.251 -3.275 -1.248) 6.313 26.319 ( -3.375 -9.957 -0.414) 10.522 27.486 ( -3.216 -5.000 -0.657) 5.981 27.654 ( -4.205 -2.615 -0.589) 4.987 28.136 ( -2.637 -6.037 -2.045) 6.898 31.723 ( -16.485 -12.347 -0.521) 20.602 31.812 ( -3.423 -16.190 4.189) 17.070 51.060 ( -0.498 -0.351 1.297) 1.433 51.856 ( -19.817 -2.189 1.743) 20.014 52.506 ( 19.477 -5.727 -1.026) 20.327 54.649 ( -2.764 -4.755 -0.249) 5.505 55.109 ( -2.103 6.766 -1.042) 7.161 55.797 ( 2.842 2.023 0.874) 3.596 ======================= Grid point 574 (117/126) ======================= q-point: ( 0.31 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( -0.986 8.307 0.401) 8.375 2.721 ( 0.661 2.040 -0.711) 2.259 2.840 ( 9.828 4.155 -2.670) 10.999 4.814 ( 3.044 11.068 5.827) 12.873 5.195 ( 12.155 22.150 -0.002) 25.266 5.962 ( 11.232 5.717 0.632) 12.619 6.167 ( -11.304 6.938 -0.294) 13.266 6.813 ( -5.965 -12.647 2.258) 14.165 7.491 ( 14.863 -0.513 -0.597) 14.884 8.132 ( 8.742 7.049 -0.728) 11.253 8.513 ( -14.298 9.009 0.352) 16.903 9.407 ( 5.776 -6.360 -1.101) 8.662 13.770 ( 7.343 28.896 -0.096) 29.815 16.500 ( 15.724 10.123 -2.959) 18.934 17.811 ( 11.217 6.413 -2.245) 13.114 21.472 ( 1.434 0.659 0.138) 1.584 22.224 ( -2.481 -0.766 4.200) 4.938 22.794 ( -11.733 0.747 2.886) 12.106 22.931 ( -3.655 7.821 -2.394) 8.958 23.990 ( -5.721 -4.002 -0.493) 6.999 24.549 ( 3.215 -1.164 -4.385) 5.561 24.734 ( 3.652 -2.254 -1.387) 4.510 24.885 ( 0.315 -0.887 0.935) 1.326 25.086 ( 0.570 -2.631 -2.034) 3.375 26.195 ( 0.673 -10.287 -0.550) 10.323 27.405 ( -1.702 -2.301 -0.618) 2.928 27.549 ( -5.412 -1.367 -0.755) 5.633 28.050 ( -0.405 -5.834 -2.049) 6.197 31.372 ( -12.749 -6.972 -0.369) 14.535 31.649 ( -0.048 -11.246 1.983) 11.420 51.069 ( 0.602 2.342 1.282) 2.737 51.534 ( -17.402 1.764 1.458) 17.552 52.753 ( 19.896 -13.280 -0.075) 23.921 54.542 ( -3.299 -5.200 -0.149) 6.160 55.143 ( -5.074 11.900 -1.047) 12.979 55.852 ( 3.028 -0.936 0.445) 3.200 ======================= Grid point 575 (118/126) ======================= q-point: ( 0.38 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( -3.287 7.854 0.399) 8.523 2.739 ( -1.046 2.025 -0.275) 2.296 2.982 ( 4.246 -0.527 -1.141) 4.428 4.931 ( -0.948 8.881 4.603) 10.048 5.524 ( 6.364 9.893 0.111) 11.763 6.040 ( -15.419 16.975 -0.123) 22.932 6.162 ( 6.701 0.959 0.181) 6.772 6.619 ( 0.318 -13.901 1.627) 14.000 7.709 ( 10.089 -2.477 0.086) 10.389 8.310 ( 3.873 4.530 -0.815) 6.015 8.365 ( -11.103 8.006 0.930) 13.720 9.405 ( 3.213 -7.539 -0.685) 8.224 14.040 ( -5.712 23.284 -0.280) 23.976 16.806 ( 7.280 6.689 -2.562) 10.213 17.956 ( 7.680 -7.742 -2.540) 11.197 21.494 ( 0.992 -0.419 0.065) 1.079 22.160 ( -3.189 0.815 5.112) 6.080 22.657 ( -10.700 12.159 0.769) 16.214 22.971 ( 0.011 2.446 -1.093) 2.679 23.919 ( -4.119 5.254 -0.187) 6.679 24.471 ( -3.944 -2.819 -1.941) 5.222 24.816 ( 2.779 1.255 -1.607) 3.447 24.860 ( 1.950 -5.018 -0.918) 5.462 25.113 ( 6.145 -7.594 -2.230) 10.020 26.136 ( 4.061 -10.048 -0.341) 10.843 27.386 ( 0.182 0.738 -0.518) 0.920 27.456 ( -4.043 -0.122 -1.052) 4.179 28.008 ( 1.827 -5.260 -1.999) 5.916 31.170 ( -5.708 -1.157 0.219) 5.828 31.579 ( 2.932 -8.227 0.574) 8.753 51.131 ( 2.400 4.422 1.299) 5.197 51.304 ( -13.300 5.719 1.399) 14.544 52.902 ( 16.608 -20.790 0.677) 26.618 54.458 ( -1.383 -2.555 -0.173) 2.910 55.164 ( -7.424 13.837 -0.782) 15.722 55.882 ( 2.643 -2.641 -0.309) 3.749 ======================= Grid point 576 (119/126) ======================= q-point: (-0.54 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( -5.403 7.051 0.511) 8.898 2.723 ( -2.922 1.693 1.032) 3.531 2.969 ( -2.739 -4.351 0.097) 5.143 4.950 ( -5.417 5.640 2.827) 8.315 5.530 ( -10.967 -0.815 -0.456) 11.007 6.037 ( -7.319 22.091 0.146) 23.272 6.152 ( -4.603 -5.696 1.085) 7.404 6.633 ( 12.912 -6.885 0.292) 14.636 7.710 ( -3.031 -9.822 0.051) 10.279 8.292 ( -5.863 0.461 0.903) 5.950 8.383 ( -1.498 11.990 -0.686) 12.103 9.398 ( 4.291 -6.728 -0.027) 7.980 14.040 ( -17.324 16.595 -0.269) 23.991 16.803 ( -9.599 -3.085 -2.333) 10.349 17.961 ( 3.328 -10.368 -3.045) 11.307 21.498 ( 0.268 -0.982 -0.340) 1.073 22.160 ( 1.077 3.160 5.089) 6.086 22.678 ( -3.526 16.640 -1.125) 17.046 22.950 ( -3.810 0.019 0.768) 3.887 23.916 ( -2.629 5.882 0.075) 6.443 24.468 ( 3.932 2.163 -1.691) 4.795 24.789 ( -1.688 -3.610 0.351) 4.001 24.906 ( 4.232 -1.292 -4.658) 6.425 25.103 ( 2.729 -10.081 -1.243) 10.517 26.132 ( 6.310 -8.620 0.026) 10.683 27.388 ( -0.670 0.250 -0.705) 1.004 27.455 ( 2.154 3.406 -0.938) 4.137 28.008 ( 3.638 -4.206 -2.003) 5.910 31.162 ( 2.974 4.084 1.012) 5.152 31.584 ( 6.095 -6.427 0.175) 8.859 51.130 ( -5.077 0.148 1.350) 5.256 51.305 ( 1.752 14.402 1.337) 14.569 52.897 ( 9.143 -24.841 1.135) 26.495 54.459 ( 2.939 -0.085 -0.198) 2.946 55.161 ( -8.462 13.177 -0.544) 15.669 55.889 ( 1.609 -3.417 -0.914) 3.886 ======================= Grid point 577 (120/126) ======================= q-point: (-0.46 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( -7.372 5.802 0.751) 9.411 2.672 ( -5.017 1.252 3.201) 6.081 2.825 ( -7.353 -5.475 -0.876) 9.209 4.850 ( -10.485 1.566 2.541) 10.901 5.209 ( -24.584 -0.153 -1.231) 24.615 5.960 ( -9.769 -6.985 0.793) 12.035 6.160 ( -0.609 13.776 0.400) 13.795 6.840 ( 14.857 -1.869 -0.139) 14.975 7.485 ( -7.801 -12.987 -0.092) 15.150 8.120 ( -10.557 -3.677 0.320) 11.184 8.519 ( -1.105 16.702 -0.134) 16.739 9.395 ( 2.684 -7.824 -0.059) 8.272 13.770 ( -28.698 8.108 -0.085) 29.821 16.496 ( -16.631 -8.474 -2.606) 18.846 17.821 ( -11.033 -6.833 -3.118) 13.347 21.481 ( -1.060 -1.195 -0.685) 1.738 22.230 ( 2.249 1.505 3.687) 4.574 22.838 ( 4.895 3.921 -0.114) 6.273 22.888 ( -4.426 13.946 0.643) 14.645 23.984 ( 6.447 2.651 -0.057) 6.971 24.543 ( -0.676 -2.318 -3.884) 4.573 24.727 ( 0.716 -3.774 -0.347) 3.857 24.929 ( -0.441 -4.135 -3.911) 5.708 25.063 ( 2.275 -0.012 0.415) 2.313 26.187 ( 8.422 -5.473 0.170) 10.046 27.407 ( 2.772 0.281 -0.758) 2.888 27.550 ( 4.028 3.972 -0.778) 5.710 28.050 ( 5.232 -2.559 -2.042) 6.172 31.344 ( 11.188 7.595 2.187) 13.698 31.667 ( 10.619 -5.245 0.352) 11.849 51.068 ( -2.378 0.697 1.380) 2.837 51.537 ( 7.404 16.046 1.154) 17.710 52.738 ( 0.773 -23.480 1.275) 23.527 54.543 ( 6.196 0.219 -0.216) 6.203 55.137 ( -7.832 10.304 -0.489) 12.951 55.868 ( -0.147 -3.488 -1.055) 3.647 ======================= Grid point 578 (121/126) ======================= q-point: (-0.38 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( -8.872 3.929 1.348) 9.796 2.535 ( -11.412 -1.544 3.916) 12.164 2.688 ( -3.366 -0.751 -2.066) 4.020 4.636 ( -14.661 -1.079 2.792) 14.964 4.719 ( -30.858 -1.098 -1.539) 30.916 5.644 ( -21.463 -5.351 0.923) 22.139 6.279 ( 3.099 6.248 0.420) 6.987 7.081 ( 10.885 4.329 -1.192) 11.775 7.257 ( -1.168 -13.357 0.658) 13.424 7.909 ( -10.161 -1.682 0.174) 10.300 8.639 ( -2.494 13.249 0.304) 13.485 9.305 ( -4.621 -8.141 -1.526) 9.484 13.229 ( -38.840 0.702 0.117) 38.847 16.147 ( -15.173 -5.037 -3.015) 16.269 17.448 ( -25.591 -3.752 -3.055) 26.044 21.438 ( -2.576 -1.059 -0.739) 2.882 22.170 ( -9.852 -2.131 2.315) 10.342 22.925 ( 8.297 4.615 2.673) 9.863 23.139 ( 11.422 10.446 -1.765) 15.579 24.158 ( 7.387 -1.809 -1.578) 7.768 24.341 ( -9.458 -7.964 -6.044) 13.763 24.738 ( 0.230 -0.036 0.496) 0.548 24.869 ( -0.851 -1.239 -0.229) 1.520 25.168 ( 5.610 3.336 -0.963) 6.598 26.314 ( 10.323 -1.600 0.044) 10.447 27.486 ( 5.879 0.277 -0.668) 5.924 27.655 ( 4.441 2.202 -0.705) 5.007 28.136 ( 6.533 -0.704 -2.020) 6.874 31.673 ( 17.440 8.414 4.218) 19.818 31.853 ( 17.084 -4.622 0.242) 17.700 51.059 ( 0.518 0.362 1.396) 1.532 51.868 ( 12.714 15.846 0.686) 20.328 52.482 ( -6.062 -18.353 1.112) 19.361 54.650 ( 5.528 -0.067 -0.323) 5.538 55.104 ( -4.786 5.545 -0.577) 7.347 55.812 ( -2.852 -2.832 -0.564) 4.058 ======================= Grid point 586 (122/126) ======================= q-point: ( 0.23 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 3.672 7.088 1.120) 8.061 2.706 ( 5.122 3.786 1.922) 6.653 2.755 ( 3.034 5.768 -2.826) 7.104 4.856 ( 5.198 11.101 4.484) 13.052 5.210 ( 12.469 22.311 -0.723) 25.569 5.881 ( 5.124 8.707 0.462) 10.113 6.329 ( 2.685 4.276 0.262) 5.056 6.816 ( -9.124 -14.029 0.899) 16.759 7.324 ( 4.384 7.151 -0.563) 8.407 8.087 ( 5.824 9.354 -0.114) 11.019 8.720 ( -0.541 -0.512 0.059) 0.747 9.288 ( -0.432 -1.553 -0.472) 1.679 13.863 ( 16.594 28.745 0.129) 33.192 16.401 ( 8.910 15.166 -3.031) 17.848 17.749 ( 5.066 9.352 -2.558) 10.939 21.465 ( 0.436 1.291 -0.405) 1.421 22.243 ( -0.035 0.321 3.661) 3.676 22.838 ( -1.227 -2.067 1.896) 3.061 23.107 ( -0.373 -0.372 -1.380) 1.477 24.009 ( -2.502 -5.253 -0.820) 5.876 24.453 ( 2.991 5.599 -5.796) 8.596 24.709 ( -1.785 -3.456 0.222) 3.897 24.876 ( -0.173 0.912 -0.109) 0.935 25.094 ( -2.206 -4.305 -1.017) 4.943 26.125 ( -4.915 -8.978 -0.189) 10.237 27.409 ( -1.513 -2.510 -0.675) 3.007 27.595 ( -1.975 -3.426 -0.568) 3.995 28.020 ( -3.118 -5.409 -2.186) 6.615 31.477 ( -4.677 -13.130 0.280) 13.941 31.561 ( -7.244 -8.097 1.903) 11.030 51.075 ( 1.113 1.868 1.310) 2.539 51.763 ( -4.320 -6.963 1.411) 8.315 52.440 ( 0.137 -0.926 0.521) 1.071 54.545 ( -3.057 -5.258 -0.189) 6.085 55.252 ( 4.384 7.032 -0.935) 8.339 55.819 ( -0.439 0.379 -0.156) 0.601 ======================= Grid point 587 (123/126) ======================= q-point: ( 0.31 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( -1.015 8.297 0.839) 8.401 2.766 ( 0.431 2.308 0.443) 2.389 2.890 ( 5.927 0.954 -1.358) 6.155 5.016 ( 1.771 8.669 4.646) 9.993 5.542 ( 5.469 12.832 0.128) 13.949 6.033 ( 7.506 2.126 -0.381) 7.811 6.429 ( -5.720 17.073 0.497) 18.013 6.546 ( -6.088 -11.496 0.810) 13.034 7.476 ( 9.902 -3.260 0.037) 10.425 8.273 ( 5.648 7.521 -0.216) 9.408 8.631 ( -9.591 2.462 0.417) 9.911 9.269 ( 2.907 -6.483 -0.304) 7.111 14.309 ( 4.176 24.096 0.119) 24.456 16.735 ( 11.641 14.201 -2.935) 18.595 17.793 ( 0.549 -8.324 -2.413) 8.684 21.479 ( 0.431 0.107 -0.256) 0.513 22.209 ( -2.264 -0.987 4.456) 5.095 22.858 ( 0.305 6.519 1.498) 6.696 23.077 ( -6.370 5.412 -1.717) 8.533 24.003 ( 1.222 5.309 -0.883) 5.519 24.498 ( -1.988 -3.701 -3.575) 5.516 24.643 ( 4.032 -7.718 -1.834) 8.898 24.870 ( -1.206 0.173 0.613) 1.364 25.027 ( -0.877 -3.184 -0.919) 3.428 25.989 ( 0.073 -9.754 -0.290) 9.759 27.389 ( 0.231 0.666 -0.572) 0.908 27.521 ( -3.582 -1.649 -0.638) 3.994 27.935 ( -0.299 -5.510 -2.239) 5.956 31.271 ( -7.629 -3.285 -0.220) 8.309 31.447 ( 1.693 -8.826 1.010) 9.044 51.130 ( 1.983 3.345 1.308) 4.102 51.611 ( -12.017 6.267 1.436) 13.629 52.451 ( 10.598 -16.519 0.786) 19.642 54.457 ( -1.895 -3.311 -0.182) 3.820 55.372 ( -1.147 10.860 -0.973) 10.964 55.811 ( 1.301 -3.173 -0.247) 3.438 ======================= Grid point 588 (124/126) ======================= q-point: ( 0.38 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( -4.309 7.746 0.494) 8.877 2.779 ( -1.308 1.866 0.677) 2.377 2.942 ( 1.360 -3.398 -0.207) 3.666 5.080 ( -2.600 5.464 3.698) 7.092 5.650 ( -2.919 5.225 0.322) 5.993 6.145 ( 0.747 -2.977 0.410) 3.096 6.357 ( 4.967 -6.743 0.478) 8.389 6.512 ( -13.327 22.821 -0.137) 26.428 7.554 ( 7.791 -13.294 0.241) 15.411 8.388 ( -2.809 3.678 0.068) 4.629 8.523 ( -3.346 6.964 0.287) 7.731 9.259 ( 3.542 -6.575 -0.013) 7.468 14.465 ( -10.201 17.672 0.091) 20.405 16.948 ( -4.650 7.777 -2.614) 9.431 17.716 ( 8.622 -14.539 -2.746) 17.124 21.484 ( 0.375 -0.454 -0.359) 0.690 22.180 ( -0.559 0.944 4.683) 4.810 22.936 ( -5.905 13.974 -0.448) 15.177 23.011 ( -3.122 1.828 -0.117) 3.619 24.073 ( -5.497 8.697 -0.127) 10.290 24.409 ( 2.057 -2.848 -2.512) 4.319 24.660 ( 7.017 -13.023 -3.124) 15.119 24.862 ( -0.374 2.445 -0.316) 2.494 25.001 ( 1.544 -3.481 -0.211) 3.814 25.940 ( 4.894 -8.672 -0.154) 9.959 27.413 ( -0.593 1.320 -0.455) 1.517 27.463 ( -0.719 0.975 -0.796) 1.450 27.905 ( 2.711 -4.684 -2.233) 5.855 31.184 ( -1.706 2.433 0.264) 2.983 31.421 ( 4.537 -7.504 0.189) 8.771 51.175 ( -0.440 0.745 1.339) 1.594 51.526 ( -8.873 15.431 1.352) 17.852 52.461 ( 12.928 -22.604 1.088) 26.063 54.424 ( 0.622 -1.072 -0.197) 1.255 55.416 ( -6.597 11.152 -0.719) 12.977 55.808 ( 3.017 -4.812 -0.663) 5.718 ======================= Grid point 590 (125/126) ======================= q-point: (-0.54 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( -6.541 4.939 0.567) 8.216 2.758 ( -3.155 1.653 1.051) 3.714 2.877 ( -4.060 -3.966 -0.222) 5.680 5.028 ( -7.771 1.742 3.556) 8.722 5.545 ( -13.686 1.482 -0.075) 13.766 6.025 ( -5.434 -4.800 0.345) 7.259 6.431 ( -12.915 13.726 0.275) 18.849 6.553 ( 14.125 -1.485 0.216) 14.204 7.477 ( -2.201 -10.295 -0.089) 10.528 8.267 ( -9.417 -0.581 0.314) 9.440 8.637 ( 2.680 9.074 -0.099) 9.462 9.264 ( 3.921 -5.349 0.197) 6.635 14.309 ( -22.958 8.432 0.116) 24.458 16.733 ( -18.153 -2.801 -2.726) 18.569 17.796 ( 7.065 -4.964 -2.764) 9.066 21.482 ( -0.156 -0.549 -0.503) 0.761 22.209 ( 2.097 1.433 4.444) 5.119 22.872 ( -5.713 1.111 0.378) 5.832 23.065 ( -1.575 10.023 -0.730) 10.173 23.996 ( -5.231 1.913 -0.315) 5.579 24.504 ( 3.765 0.125 -4.231) 5.665 24.635 ( 4.827 -6.946 -0.830) 8.499 24.886 ( 0.979 -0.813 -1.166) 1.727 25.019 ( 2.998 0.059 -0.112) 3.001 25.986 ( 8.277 -4.728 -0.053) 9.532 27.391 ( -0.688 0.011 -0.685) 0.971 27.520 ( 3.246 2.361 -0.560) 4.053 27.935 ( 4.918 -2.501 -2.248) 5.958 31.261 ( 6.018 5.323 0.663) 8.062 31.454 ( 7.276 -6.020 0.348) 9.450 51.130 ( -3.904 -0.024 1.328) 4.124 51.612 ( 0.655 13.506 1.330) 13.587 52.448 ( 8.761 -17.191 1.097) 19.326 54.458 ( 3.825 -0.024 -0.192) 3.830 55.369 ( -8.945 6.628 -0.669) 11.153 55.817 ( 2.365 -3.110 -0.738) 3.976 ======================= Grid point 601 (126/126) ======================= q-point: ( 0.31 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( 2.758 4.419 0.599) 5.244 2.805 ( 0.397 1.591 0.822) 1.834 2.881 ( -0.336 -1.431 -0.156) 1.478 5.132 ( 1.499 2.869 3.493) 4.762 5.723 ( 2.991 5.295 1.290) 6.216 6.087 ( 3.031 4.499 -0.445) 5.443 6.276 ( -6.813 -11.126 0.094) 13.047 6.861 ( 11.197 19.310 0.268) 22.324 7.320 ( -6.757 -11.591 0.236) 13.419 8.432 ( 4.856 8.060 0.146) 9.411 8.600 ( -3.144 -5.072 0.152) 5.969 9.185 ( -0.994 -1.875 0.212) 2.133 14.653 ( 5.444 9.432 0.325) 10.895 17.061 ( 10.212 17.533 -2.811) 20.484 17.521 ( -9.820 -16.825 -2.681) 19.665 21.479 ( -0.071 -0.069 -0.457) 0.468 22.190 ( -0.347 -0.610 4.436) 4.491 23.015 ( 4.071 7.771 0.107) 8.774 23.118 ( -0.553 -1.600 -0.808) 1.876 24.175 ( 6.739 10.831 -0.655) 12.773 24.428 ( -6.330 -2.963 -4.360) 8.238 24.445 ( -1.935 -10.708 -0.613) 10.899 24.895 ( 0.837 1.980 -0.057) 2.151 24.963 ( -1.504 -2.963 -0.218) 3.330 25.845 ( -2.302 -4.046 -0.160) 4.658 27.424 ( 1.346 2.423 -0.505) 2.818 27.481 ( -1.278 -2.303 -0.475) 2.677 27.852 ( -1.395 -2.410 -2.445) 3.706 31.240 ( 0.189 -0.050 0.032) 0.198 31.315 ( -2.594 -4.161 0.234) 4.909 51.181 ( 0.821 1.419 1.357) 2.128 51.778 ( 5.521 9.625 1.321) 11.175 52.138 ( -7.757 -13.536 1.159) 15.645 54.413 ( -0.652 -1.128 -0.200) 1.318 55.558 ( 4.427 7.479 -0.766) 8.724 55.729 ( -2.893 -4.787 -0.650) 5.631 =================== 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 3/42588 10.0 2479.918 2479.918 1801.684 0.000 -0.000 0.000 3/42588 20.0 976.792 976.792 604.108 0.000 0.000 0.000 3/42588 30.0 459.606 459.606 289.096 0.000 0.000 0.000 3/42588 40.0 228.217 228.217 149.448 0.000 0.000 0.000 3/42588 50.0 133.035 133.035 88.447 -0.000 0.000 0.000 3/42588 60.0 89.586 89.586 58.896 -0.000 0.000 0.000 3/42588 70.0 66.539 66.539 42.777 -0.000 0.000 0.000 3/42588 80.0 52.685 52.685 33.053 -0.000 0.000 0.000 3/42588 90.0 43.538 43.538 26.700 -0.000 0.000 0.000 3/42588 100.0 37.060 37.060 22.281 -0.000 0.000 0.000 3/42588 110.0 32.224 32.224 19.049 -0.000 0.000 0.000 3/42588 120.0 28.464 28.464 16.590 -0.000 0.000 0.000 3/42588 130.0 25.447 25.447 14.656 -0.000 0.000 0.000 3/42588 140.0 22.967 22.967 13.094 -0.000 0.000 0.000 3/42588 150.0 20.887 20.887 11.807 -0.000 0.000 0.000 3/42588 160.0 19.117 19.117 10.727 -0.000 0.000 0.000 3/42588 170.0 17.592 17.592 9.808 -0.000 0.000 0.000 3/42588 180.0 16.265 16.265 9.017 -0.000 0.000 0.000 3/42588 190.0 15.102 15.102 8.330 -0.000 0.000 0.000 3/42588 200.0 14.075 14.075 7.728 -0.000 0.000 0.000 3/42588 210.0 13.165 13.165 7.198 -0.000 0.000 0.000 3/42588 220.0 12.353 12.353 6.728 -0.000 0.000 0.000 3/42588 230.0 11.626 11.626 6.309 -0.000 0.000 0.000 3/42588 240.0 10.972 10.972 5.934 -0.000 0.000 0.000 3/42588 250.0 10.383 10.383 5.598 -0.000 0.000 0.000 3/42588 260.0 9.849 9.849 5.294 -0.000 0.000 0.000 3/42588 270.0 9.365 9.365 5.019 -0.000 0.000 0.000 3/42588 280.0 8.923 8.923 4.769 -0.000 0.000 0.000 3/42588 290.0 8.520 8.520 4.542 -0.000 0.000 0.000 3/42588 300.0 8.150 8.150 4.334 -0.000 0.000 0.000 3/42588 310.0 7.810 7.810 4.143 -0.000 0.000 0.000 3/42588 320.0 7.497 7.497 3.968 -0.000 0.000 0.000 3/42588 330.0 7.208 7.208 3.807 -0.000 0.000 0.000 3/42588 340.0 6.940 6.940 3.658 -0.000 0.000 0.000 3/42588 350.0 6.691 6.691 3.520 -0.000 0.000 0.000 3/42588 360.0 6.460 6.460 3.392 -0.000 0.000 0.000 3/42588 370.0 6.244 6.244 3.272 -0.000 0.000 0.000 3/42588 380.0 6.043 6.043 3.161 -0.000 0.000 0.000 3/42588 390.0 5.854 5.854 3.058 -0.000 0.000 0.000 3/42588 400.0 5.677 5.677 2.961 -0.000 0.000 0.000 3/42588 410.0 5.511 5.511 2.870 -0.000 0.000 0.000 3/42588 420.0 5.354 5.354 2.784 -0.000 0.000 0.000 3/42588 430.0 5.207 5.207 2.704 -0.000 0.000 0.000 3/42588 440.0 5.067 5.067 2.628 -0.000 0.000 0.000 3/42588 450.0 4.935 4.935 2.556 -0.000 0.000 0.000 3/42588 460.0 4.811 4.811 2.488 -0.000 0.000 0.000 3/42588 470.0 4.692 4.692 2.424 -0.000 0.000 0.000 3/42588 480.0 4.580 4.580 2.364 -0.000 0.000 0.000 3/42588 490.0 4.472 4.472 2.306 -0.000 0.000 0.000 3/42588 500.0 4.371 4.371 2.251 -0.000 0.000 0.000 3/42588 510.0 4.273 4.273 2.199 -0.000 0.000 0.000 3/42588 520.0 4.181 4.181 2.149 -0.000 0.000 0.000 3/42588 530.0 4.092 4.092 2.102 -0.000 0.000 0.000 3/42588 540.0 4.007 4.007 2.056 -0.000 0.000 0.000 3/42588 550.0 3.926 3.926 2.013 -0.000 0.000 0.000 3/42588 560.0 3.848 3.848 1.971 -0.000 0.000 0.000 3/42588 570.0 3.774 3.774 1.932 -0.000 0.000 0.000 3/42588 580.0 3.702 3.702 1.893 -0.000 0.000 0.000 3/42588 590.0 3.633 3.633 1.857 -0.000 0.000 0.000 3/42588 600.0 3.567 3.567 1.822 -0.000 0.000 0.000 3/42588 610.0 3.503 3.503 1.788 -0.000 0.000 0.000 3/42588 620.0 3.442 3.442 1.755 -0.000 0.000 0.000 3/42588 630.0 3.382 3.382 1.724 -0.000 0.000 0.000 3/42588 640.0 3.325 3.325 1.694 -0.000 0.000 0.000 3/42588 650.0 3.270 3.270 1.665 -0.000 0.000 0.000 3/42588 660.0 3.217 3.217 1.637 -0.000 0.000 0.000 3/42588 670.0 3.166 3.166 1.610 -0.000 0.000 0.000 3/42588 680.0 3.116 3.116 1.584 -0.000 0.000 0.000 3/42588 690.0 3.068 3.068 1.558 -0.000 0.000 0.000 3/42588 700.0 3.021 3.021 1.534 -0.000 0.000 0.000 3/42588 710.0 2.976 2.976 1.510 -0.000 0.000 0.000 3/42588 720.0 2.932 2.932 1.487 -0.000 0.000 0.000 3/42588 730.0 2.890 2.890 1.465 -0.000 0.000 0.000 3/42588 740.0 2.848 2.848 1.443 -0.000 0.000 0.000 3/42588 750.0 2.808 2.808 1.423 -0.000 0.000 0.000 3/42588 760.0 2.769 2.769 1.402 -0.000 0.000 0.000 3/42588 770.0 2.732 2.732 1.383 -0.000 0.000 0.000 3/42588 780.0 2.695 2.695 1.363 -0.000 0.000 0.000 3/42588 790.0 2.659 2.659 1.345 -0.000 0.000 0.000 3/42588 800.0 2.625 2.625 1.327 -0.000 0.000 0.000 3/42588 810.0 2.591 2.591 1.309 -0.000 0.000 0.000 3/42588 820.0 2.558 2.558 1.292 -0.000 0.000 0.000 3/42588 830.0 2.526 2.526 1.275 -0.000 0.000 0.000 3/42588 840.0 2.495 2.495 1.259 -0.000 0.000 0.000 3/42588 850.0 2.464 2.464 1.243 -0.000 0.000 0.000 3/42588 860.0 2.434 2.434 1.228 -0.000 0.000 0.000 3/42588 870.0 2.405 2.405 1.213 -0.000 0.000 0.000 3/42588 880.0 2.377 2.377 1.198 -0.000 0.000 0.000 3/42588 890.0 2.350 2.350 1.184 -0.000 0.000 0.000 3/42588 900.0 2.323 2.323 1.170 -0.000 0.000 0.000 3/42588 910.0 2.296 2.296 1.157 -0.000 0.000 0.000 3/42588 920.0 2.271 2.271 1.143 -0.000 0.000 0.000 3/42588 930.0 2.246 2.246 1.130 -0.000 0.000 0.000 3/42588 940.0 2.221 2.221 1.118 -0.000 0.000 0.000 3/42588 950.0 2.197 2.197 1.105 -0.000 0.000 0.000 3/42588 960.0 2.174 2.174 1.093 -0.000 0.000 0.000 3/42588 970.0 2.151 2.151 1.081 -0.000 0.000 0.000 3/42588 980.0 2.128 2.128 1.070 -0.000 0.000 0.000 3/42588 990.0 2.106 2.106 1.059 -0.000 0.000 0.000 3/42588 1000.0 2.085 2.085 1.048 -0.000 0.000 0.000 3/42588 Thermal conductivity related properties were written into "kappa-m13137.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:11:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|