----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:33:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.711678085750099 0.988237803573801 6.192337739999993 b -1.711678085750096 0.988237803573801 6.192337739999993 c 0.000000000000002 -1.976475607147605 6.192337739999993 Atomic positions (fractional): *1 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 *2 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 *3 O 0.77208091507038 0.77208091507038 0.77208091507038 15.999 4 O 0.22791908492962 0.22791908492962 0.22791908492962 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.423356171500195 0.000000000000000 0.000000000000000 b -1.711678085750098 2.964713410721406 0.000000000000000 c 0.000000000000000 0.000000000000000 18.577013219999998 Atomic positions (fractional): *1 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 1 2 K 0.66666666666667 0.33333333333333 0.33333333333333 39.098 > 1 3 K 0.33333333333333 0.66666666666667 0.66666666666667 39.098 > 1 *4 Ho 0.33333333333333 0.66666666666667 0.16666666666667 164.930 > 2 5 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 2 6 Ho 0.66666666666667 0.33333333333333 0.83333333333333 164.930 > 2 *7 O 0.66666666666667 0.33333333333333 0.10541424840372 15.999 > 3 8 O 0.00000000000000 0.00000000000000 0.22791908492962 15.999 > 4 9 O 0.33333333333333 0.66666666666667 0.43874758173705 15.999 > 3 10 O 0.66666666666667 0.33333333333333 0.56125241826295 15.999 > 4 11 O 0.00000000000000 0.00000000000000 0.77208091507038 15.999 > 3 12 O 0.33333333333333 0.66666666666667 0.89458575159628 15.999 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.270068514500585 0.000000000000000 0.000000000000000 b -5.135034257250294 8.894140232164219 0.000000000000000 c 0.000000000000000 0.000000000000000 18.577013219999998 Atomic positions (fractional): *1 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 1 2 K 0.33333333333333 0.00000000000000 0.00000000000000 39.098 > 1 3 K 0.66666666666667 0.00000000000000 0.00000000000000 39.098 > 1 4 K 0.00000000000000 0.33333333333333 0.00000000000000 39.098 > 1 5 K 0.33333333333333 0.33333333333333 0.00000000000000 39.098 > 1 6 K 0.66666666666667 0.33333333333333 0.00000000000000 39.098 > 1 7 K 0.00000000000000 0.66666666666667 0.00000000000000 39.098 > 1 8 K 0.33333333333333 0.66666666666667 0.00000000000000 39.098 > 1 9 K 0.66666666666667 0.66666666666667 0.00000000000000 39.098 > 1 10 K 0.22222222222222 0.11111111111111 0.33333333333333 39.098 > 1 11 K 0.55555555555556 0.11111111111111 0.33333333333333 39.098 > 1 12 K 0.88888888888889 0.11111111111111 0.33333333333333 39.098 > 1 13 K 0.22222222222222 0.44444444444444 0.33333333333333 39.098 > 1 14 K 0.55555555555556 0.44444444444444 0.33333333333333 39.098 > 1 15 K 0.88888888888889 0.44444444444444 0.33333333333333 39.098 > 1 16 K 0.22222222222222 0.77777777777778 0.33333333333333 39.098 > 1 17 K 0.55555555555556 0.77777777777778 0.33333333333333 39.098 > 1 18 K 0.88888888888889 0.77777777777778 0.33333333333333 39.098 > 1 19 K 0.11111111111111 0.22222222222222 0.66666666666667 39.098 > 1 20 K 0.44444444444444 0.22222222222222 0.66666666666667 39.098 > 1 21 K 0.77777777777778 0.22222222222222 0.66666666666667 39.098 > 1 22 K 0.11111111111111 0.55555555555556 0.66666666666667 39.098 > 1 23 K 0.44444444444444 0.55555555555556 0.66666666666667 39.098 > 1 24 K 0.77777777777778 0.55555555555556 0.66666666666667 39.098 > 1 25 K 0.11111111111111 0.88888888888889 0.66666666666667 39.098 > 1 26 K 0.44444444444444 0.88888888888889 0.66666666666667 39.098 > 1 27 K 0.77777777777778 0.88888888888889 0.66666666666667 39.098 > 1 *28 Ho 0.11111111111111 0.22222222222222 0.16666666666667 164.930 > 2 29 Ho 0.44444444444444 0.22222222222222 0.16666666666667 164.930 > 2 30 Ho 0.77777777777778 0.22222222222222 0.16666666666667 164.930 > 2 31 Ho 0.11111111111111 0.55555555555556 0.16666666666667 164.930 > 2 32 Ho 0.44444444444444 0.55555555555556 0.16666666666667 164.930 > 2 33 Ho 0.77777777777778 0.55555555555556 0.16666666666667 164.930 > 2 34 Ho 0.11111111111111 0.88888888888889 0.16666666666667 164.930 > 2 35 Ho 0.44444444444444 0.88888888888889 0.16666666666667 164.930 > 2 36 Ho 0.77777777777778 0.88888888888889 0.16666666666667 164.930 > 2 37 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 2 38 Ho 0.33333333333333 0.00000000000000 0.50000000000000 164.930 > 2 39 Ho 0.66666666666667 0.00000000000000 0.50000000000000 164.930 > 2 40 Ho 0.00000000000000 0.33333333333333 0.50000000000000 164.930 > 2 41 Ho 0.33333333333333 0.33333333333333 0.50000000000000 164.930 > 2 42 Ho 0.66666666666667 0.33333333333333 0.50000000000000 164.930 > 2 43 Ho 0.00000000000000 0.66666666666667 0.50000000000000 164.930 > 2 44 Ho 0.33333333333333 0.66666666666667 0.50000000000000 164.930 > 2 45 Ho 0.66666666666667 0.66666666666667 0.50000000000000 164.930 > 2 46 Ho 0.22222222222222 0.11111111111111 0.83333333333333 164.930 > 2 47 Ho 0.55555555555556 0.11111111111111 0.83333333333333 164.930 > 2 48 Ho 0.88888888888889 0.11111111111111 0.83333333333333 164.930 > 2 49 Ho 0.22222222222222 0.44444444444444 0.83333333333333 164.930 > 2 50 Ho 0.55555555555556 0.44444444444444 0.83333333333333 164.930 > 2 51 Ho 0.88888888888889 0.44444444444444 0.83333333333333 164.930 > 2 52 Ho 0.22222222222222 0.77777777777778 0.83333333333333 164.930 > 2 53 Ho 0.55555555555556 0.77777777777778 0.83333333333333 164.930 > 2 54 Ho 0.88888888888889 0.77777777777778 0.83333333333333 164.930 > 2 *55 O 0.22222222222222 0.11111111111111 0.10541424840372 15.999 > 3 56 O 0.55555555555556 0.11111111111111 0.10541424840372 15.999 > 3 57 O 0.88888888888889 0.11111111111111 0.10541424840372 15.999 > 3 58 O 0.22222222222222 0.44444444444444 0.10541424840372 15.999 > 3 59 O 0.55555555555556 0.44444444444444 0.10541424840372 15.999 > 3 60 O 0.88888888888889 0.44444444444444 0.10541424840372 15.999 > 3 61 O 0.22222222222222 0.77777777777778 0.10541424840372 15.999 > 3 62 O 0.55555555555556 0.77777777777778 0.10541424840372 15.999 > 3 63 O 0.88888888888889 0.77777777777778 0.10541424840372 15.999 > 3 64 O 0.00000000000000 0.00000000000000 0.22791908492962 15.999 > 4 65 O 0.33333333333333 0.00000000000000 0.22791908492962 15.999 > 4 66 O 0.66666666666667 0.00000000000000 0.22791908492962 15.999 > 4 67 O 0.00000000000000 0.33333333333333 0.22791908492962 15.999 > 4 68 O 0.33333333333333 0.33333333333333 0.22791908492962 15.999 > 4 69 O 0.66666666666667 0.33333333333333 0.22791908492962 15.999 > 4 70 O 0.00000000000000 0.66666666666667 0.22791908492962 15.999 > 4 71 O 0.33333333333333 0.66666666666667 0.22791908492962 15.999 > 4 72 O 0.66666666666667 0.66666666666667 0.22791908492962 15.999 > 4 73 O 0.11111111111111 0.22222222222222 0.43874758173705 15.999 > 3 74 O 0.44444444444444 0.22222222222222 0.43874758173705 15.999 > 3 75 O 0.77777777777778 0.22222222222222 0.43874758173705 15.999 > 3 76 O 0.11111111111111 0.55555555555556 0.43874758173705 15.999 > 3 77 O 0.44444444444444 0.55555555555556 0.43874758173705 15.999 > 3 78 O 0.77777777777778 0.55555555555556 0.43874758173705 15.999 > 3 79 O 0.11111111111111 0.88888888888889 0.43874758173705 15.999 > 3 80 O 0.44444444444444 0.88888888888889 0.43874758173705 15.999 > 3 81 O 0.77777777777778 0.88888888888889 0.43874758173705 15.999 > 3 82 O 0.22222222222222 0.11111111111111 0.56125241826295 15.999 > 4 83 O 0.55555555555556 0.11111111111111 0.56125241826295 15.999 > 4 84 O 0.88888888888889 0.11111111111111 0.56125241826295 15.999 > 4 85 O 0.22222222222222 0.44444444444444 0.56125241826295 15.999 > 4 86 O 0.55555555555556 0.44444444444444 0.56125241826295 15.999 > 4 87 O 0.88888888888889 0.44444444444444 0.56125241826295 15.999 > 4 88 O 0.22222222222222 0.77777777777778 0.56125241826295 15.999 > 4 89 O 0.55555555555556 0.77777777777778 0.56125241826295 15.999 > 4 90 O 0.88888888888889 0.77777777777778 0.56125241826295 15.999 > 4 91 O 0.00000000000000 0.00000000000000 0.77208091507038 15.999 > 3 92 O 0.33333333333333 0.00000000000000 0.77208091507038 15.999 > 3 93 O 0.66666666666667 0.00000000000000 0.77208091507038 15.999 > 3 94 O 0.00000000000000 0.33333333333333 0.77208091507038 15.999 > 3 95 O 0.33333333333333 0.33333333333333 0.77208091507038 15.999 > 3 96 O 0.66666666666667 0.33333333333333 0.77208091507038 15.999 > 3 97 O 0.00000000000000 0.66666666666667 0.77208091507038 15.999 > 3 98 O 0.33333333333333 0.66666666666667 0.77208091507038 15.999 > 3 99 O 0.66666666666667 0.66666666666667 0.77208091507038 15.999 > 3 100 O 0.11111111111111 0.22222222222222 0.89458575159628 15.999 > 4 101 O 0.44444444444444 0.22222222222222 0.89458575159628 15.999 > 4 102 O 0.77777777777778 0.22222222222222 0.89458575159628 15.999 > 4 103 O 0.11111111111111 0.55555555555556 0.89458575159628 15.999 > 4 104 O 0.44444444444444 0.55555555555556 0.89458575159628 15.999 > 4 105 O 0.77777777777778 0.55555555555556 0.89458575159628 15.999 > 4 106 O 0.11111111111111 0.88888888888889 0.89458575159628 15.999 > 4 107 O 0.44444444444444 0.88888888888889 0.89458575159628 15.999 > 4 108 O 0.77777777777778 0.88888888888889 0.89458575159628 15.999 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8309225 -0.0000000 0.0000000 0.0000000 3.8309225 0.0000000 0.0000000 0.0000000 3.2660203 -------------------------- Born effective charges -------------------------- 1 K 1.0375948 -0.0000000 0.0000000 -0.0000000 1.0375948 0.0000000 0.0000000 0.0000000 1.5740296 2 Ho 4.2074631 -0.0000000 0.0000000 -0.0000000 4.2074631 0.0000000 0.0000000 0.0000000 2.3318713 3 O -2.6225289 0.0000000 0.0000000 0.0000000 -2.6225289 0.0000000 0.0000000 0.0000000 -1.9529504 4 O -2.6225289 0.0000000 0.0000000 0.0000000 -2.6225289 0.0000000 0.0000000 0.0000000 -1.9529504 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 214 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: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 80 / 80 - Time: 0.116 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.123 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 214 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: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:33:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:33:23]------------------------- 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): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.711678085750099 0.988237803573801 6.192337739999993 b -1.711678085750096 0.988237803573801 6.192337739999993 c 0.000000000000002 -1.976475607147605 6.192337739999993 Atomic positions (fractional): 1 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 2 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 3 O 0.77208091507038 0.77208091507038 0.77208091507038 15.999 4 O 0.22791908492962 0.22791908492962 0.22791908492962 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.270068514500585 0.000000000000000 0.000000000000000 b -5.135034257250294 8.894140232164219 0.000000000000000 c 0.000000000000000 0.000000000000000 18.577013219999998 Atomic positions (fractional): 1 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 1 2 K 0.33333333333333 0.00000000000000 0.00000000000000 39.098 > 1 3 K 0.66666666666667 0.00000000000000 0.00000000000000 39.098 > 1 4 K 0.00000000000000 0.33333333333333 0.00000000000000 39.098 > 1 5 K 0.33333333333333 0.33333333333333 0.00000000000000 39.098 > 1 6 K 0.66666666666667 0.33333333333333 0.00000000000000 39.098 > 1 7 K 0.00000000000000 0.66666666666667 0.00000000000000 39.098 > 1 8 K 0.33333333333333 0.66666666666667 0.00000000000000 39.098 > 1 9 K 0.66666666666667 0.66666666666667 0.00000000000000 39.098 > 1 10 K 0.22222222222222 0.11111111111111 0.33333333333333 39.098 > 1 11 K 0.55555555555556 0.11111111111111 0.33333333333333 39.098 > 1 12 K 0.88888888888889 0.11111111111111 0.33333333333333 39.098 > 1 13 K 0.22222222222222 0.44444444444444 0.33333333333333 39.098 > 1 14 K 0.55555555555556 0.44444444444444 0.33333333333333 39.098 > 1 15 K 0.88888888888889 0.44444444444444 0.33333333333333 39.098 > 1 16 K 0.22222222222222 0.77777777777778 0.33333333333333 39.098 > 1 17 K 0.55555555555556 0.77777777777778 0.33333333333333 39.098 > 1 18 K 0.88888888888889 0.77777777777778 0.33333333333333 39.098 > 1 19 K 0.11111111111111 0.22222222222222 0.66666666666667 39.098 > 1 20 K 0.44444444444444 0.22222222222222 0.66666666666667 39.098 > 1 21 K 0.77777777777778 0.22222222222222 0.66666666666667 39.098 > 1 22 K 0.11111111111111 0.55555555555556 0.66666666666667 39.098 > 1 23 K 0.44444444444444 0.55555555555556 0.66666666666667 39.098 > 1 24 K 0.77777777777778 0.55555555555556 0.66666666666667 39.098 > 1 25 K 0.11111111111111 0.88888888888889 0.66666666666667 39.098 > 1 26 K 0.44444444444444 0.88888888888889 0.66666666666667 39.098 > 1 27 K 0.77777777777778 0.88888888888889 0.66666666666667 39.098 > 1 28 Ho 0.11111111111111 0.22222222222222 0.16666666666667 164.930 > 28 29 Ho 0.44444444444444 0.22222222222222 0.16666666666667 164.930 > 28 30 Ho 0.77777777777778 0.22222222222222 0.16666666666667 164.930 > 28 31 Ho 0.11111111111111 0.55555555555556 0.16666666666667 164.930 > 28 32 Ho 0.44444444444444 0.55555555555556 0.16666666666667 164.930 > 28 33 Ho 0.77777777777778 0.55555555555556 0.16666666666667 164.930 > 28 34 Ho 0.11111111111111 0.88888888888889 0.16666666666667 164.930 > 28 35 Ho 0.44444444444444 0.88888888888889 0.16666666666667 164.930 > 28 36 Ho 0.77777777777778 0.88888888888889 0.16666666666667 164.930 > 28 37 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 28 38 Ho 0.33333333333333 0.00000000000000 0.50000000000000 164.930 > 28 39 Ho 0.66666666666667 0.00000000000000 0.50000000000000 164.930 > 28 40 Ho 0.00000000000000 0.33333333333333 0.50000000000000 164.930 > 28 41 Ho 0.33333333333333 0.33333333333333 0.50000000000000 164.930 > 28 42 Ho 0.66666666666667 0.33333333333333 0.50000000000000 164.930 > 28 43 Ho 0.00000000000000 0.66666666666667 0.50000000000000 164.930 > 28 44 Ho 0.33333333333333 0.66666666666667 0.50000000000000 164.930 > 28 45 Ho 0.66666666666667 0.66666666666667 0.50000000000000 164.930 > 28 46 Ho 0.22222222222222 0.11111111111111 0.83333333333333 164.930 > 28 47 Ho 0.55555555555556 0.11111111111111 0.83333333333333 164.930 > 28 48 Ho 0.88888888888889 0.11111111111111 0.83333333333333 164.930 > 28 49 Ho 0.22222222222222 0.44444444444444 0.83333333333333 164.930 > 28 50 Ho 0.55555555555556 0.44444444444444 0.83333333333333 164.930 > 28 51 Ho 0.88888888888889 0.44444444444444 0.83333333333333 164.930 > 28 52 Ho 0.22222222222222 0.77777777777778 0.83333333333333 164.930 > 28 53 Ho 0.55555555555556 0.77777777777778 0.83333333333333 164.930 > 28 54 Ho 0.88888888888889 0.77777777777778 0.83333333333333 164.930 > 28 55 O 0.22222222222222 0.11111111111111 0.10541424840372 15.999 > 55 56 O 0.55555555555556 0.11111111111111 0.10541424840372 15.999 > 55 57 O 0.88888888888889 0.11111111111111 0.10541424840372 15.999 > 55 58 O 0.22222222222222 0.44444444444444 0.10541424840372 15.999 > 55 59 O 0.55555555555556 0.44444444444444 0.10541424840372 15.999 > 55 60 O 0.88888888888889 0.44444444444444 0.10541424840372 15.999 > 55 61 O 0.22222222222222 0.77777777777778 0.10541424840372 15.999 > 55 62 O 0.55555555555556 0.77777777777778 0.10541424840372 15.999 > 55 63 O 0.88888888888889 0.77777777777778 0.10541424840372 15.999 > 55 64 O 0.00000000000000 0.00000000000000 0.22791908492962 15.999 > 64 65 O 0.33333333333333 0.00000000000000 0.22791908492962 15.999 > 64 66 O 0.66666666666667 0.00000000000000 0.22791908492962 15.999 > 64 67 O 0.00000000000000 0.33333333333333 0.22791908492962 15.999 > 64 68 O 0.33333333333333 0.33333333333333 0.22791908492962 15.999 > 64 69 O 0.66666666666667 0.33333333333333 0.22791908492962 15.999 > 64 70 O 0.00000000000000 0.66666666666667 0.22791908492962 15.999 > 64 71 O 0.33333333333333 0.66666666666667 0.22791908492962 15.999 > 64 72 O 0.66666666666667 0.66666666666667 0.22791908492962 15.999 > 64 73 O 0.11111111111111 0.22222222222222 0.43874758173705 15.999 > 55 74 O 0.44444444444444 0.22222222222222 0.43874758173705 15.999 > 55 75 O 0.77777777777778 0.22222222222222 0.43874758173705 15.999 > 55 76 O 0.11111111111111 0.55555555555556 0.43874758173705 15.999 > 55 77 O 0.44444444444444 0.55555555555556 0.43874758173705 15.999 > 55 78 O 0.77777777777778 0.55555555555556 0.43874758173705 15.999 > 55 79 O 0.11111111111111 0.88888888888889 0.43874758173705 15.999 > 55 80 O 0.44444444444444 0.88888888888889 0.43874758173705 15.999 > 55 81 O 0.77777777777778 0.88888888888889 0.43874758173705 15.999 > 55 82 O 0.22222222222222 0.11111111111111 0.56125241826295 15.999 > 64 83 O 0.55555555555556 0.11111111111111 0.56125241826295 15.999 > 64 84 O 0.88888888888889 0.11111111111111 0.56125241826295 15.999 > 64 85 O 0.22222222222222 0.44444444444444 0.56125241826295 15.999 > 64 86 O 0.55555555555556 0.44444444444444 0.56125241826295 15.999 > 64 87 O 0.88888888888889 0.44444444444444 0.56125241826295 15.999 > 64 88 O 0.22222222222222 0.77777777777778 0.56125241826295 15.999 > 64 89 O 0.55555555555556 0.77777777777778 0.56125241826295 15.999 > 64 90 O 0.88888888888889 0.77777777777778 0.56125241826295 15.999 > 64 91 O 0.00000000000000 0.00000000000000 0.77208091507038 15.999 > 55 92 O 0.33333333333333 0.00000000000000 0.77208091507038 15.999 > 55 93 O 0.66666666666667 0.00000000000000 0.77208091507038 15.999 > 55 94 O 0.00000000000000 0.33333333333333 0.77208091507038 15.999 > 55 95 O 0.33333333333333 0.33333333333333 0.77208091507038 15.999 > 55 96 O 0.66666666666667 0.33333333333333 0.77208091507038 15.999 > 55 97 O 0.00000000000000 0.66666666666667 0.77208091507038 15.999 > 55 98 O 0.33333333333333 0.66666666666667 0.77208091507038 15.999 > 55 99 O 0.66666666666667 0.66666666666667 0.77208091507038 15.999 > 55 100 O 0.11111111111111 0.22222222222222 0.89458575159628 15.999 > 64 101 O 0.44444444444444 0.22222222222222 0.89458575159628 15.999 > 64 102 O 0.77777777777778 0.22222222222222 0.89458575159628 15.999 > 64 103 O 0.11111111111111 0.55555555555556 0.89458575159628 15.999 > 64 104 O 0.44444444444444 0.55555555555556 0.89458575159628 15.999 > 64 105 O 0.77777777777778 0.55555555555556 0.89458575159628 15.999 > 64 106 O 0.11111111111111 0.88888888888889 0.89458575159628 15.999 > 64 107 O 0.44444444444444 0.88888888888889 0.89458575159628 15.999 > 64 108 O 0.77777777777778 0.88888888888889 0.89458575159628 15.999 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8309225 -0.0000000 0.0000000 0.0000000 3.8309225 0.0000000 0.0000000 0.0000000 3.2660203 -------------------------- Born effective charges -------------------------- 1 K 1.0375948 -0.0000000 0.0000000 -0.0000000 1.0375948 0.0000000 0.0000000 0.0000000 1.5740296 2 Ho 4.2074631 -0.0000000 0.0000000 -0.0000000 4.2074631 0.0000000 0.0000000 0.0000000 2.3318713 3 O -2.6225289 0.0000000 0.0000000 0.0000000 -2.6225289 0.0000000 0.0000000 0.0000000 -1.9529504 4 O -2.6225289 0.0000000 0.0000000 0.0000000 -2.6225289 0.0000000 0.0000000 0.0000000 -1.9529504 ---------------------------------------------------------------------------- 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[ 28, 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[ 55, 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: -0.00000000 (xxz) -0.00000000 (xxz) -0.00000000 (xzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) 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 23:33:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:33:28]------------------------- 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): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.711678085750099 0.988237803573801 6.192337739999993 b -1.711678085750096 0.988237803573801 6.192337739999993 c 0.000000000000002 -1.976475607147605 6.192337739999993 Atomic positions (fractional): 1 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 2 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 3 O 0.77208091507038 0.77208091507038 0.77208091507038 15.999 4 O 0.22791908492962 0.22791908492962 0.22791908492962 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.270068514500585 0.000000000000000 0.000000000000000 b -5.135034257250294 8.894140232164219 0.000000000000000 c 0.000000000000000 0.000000000000000 18.577013219999998 Atomic positions (fractional): 1 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 1 2 K 0.33333333333333 0.00000000000000 0.00000000000000 39.098 > 1 3 K 0.66666666666667 0.00000000000000 0.00000000000000 39.098 > 1 4 K 0.00000000000000 0.33333333333333 0.00000000000000 39.098 > 1 5 K 0.33333333333333 0.33333333333333 0.00000000000000 39.098 > 1 6 K 0.66666666666667 0.33333333333333 0.00000000000000 39.098 > 1 7 K 0.00000000000000 0.66666666666667 0.00000000000000 39.098 > 1 8 K 0.33333333333333 0.66666666666667 0.00000000000000 39.098 > 1 9 K 0.66666666666667 0.66666666666667 0.00000000000000 39.098 > 1 10 K 0.22222222222222 0.11111111111111 0.33333333333333 39.098 > 1 11 K 0.55555555555556 0.11111111111111 0.33333333333333 39.098 > 1 12 K 0.88888888888889 0.11111111111111 0.33333333333333 39.098 > 1 13 K 0.22222222222222 0.44444444444444 0.33333333333333 39.098 > 1 14 K 0.55555555555556 0.44444444444444 0.33333333333333 39.098 > 1 15 K 0.88888888888889 0.44444444444444 0.33333333333333 39.098 > 1 16 K 0.22222222222222 0.77777777777778 0.33333333333333 39.098 > 1 17 K 0.55555555555556 0.77777777777778 0.33333333333333 39.098 > 1 18 K 0.88888888888889 0.77777777777778 0.33333333333333 39.098 > 1 19 K 0.11111111111111 0.22222222222222 0.66666666666667 39.098 > 1 20 K 0.44444444444444 0.22222222222222 0.66666666666667 39.098 > 1 21 K 0.77777777777778 0.22222222222222 0.66666666666667 39.098 > 1 22 K 0.11111111111111 0.55555555555556 0.66666666666667 39.098 > 1 23 K 0.44444444444444 0.55555555555556 0.66666666666667 39.098 > 1 24 K 0.77777777777778 0.55555555555556 0.66666666666667 39.098 > 1 25 K 0.11111111111111 0.88888888888889 0.66666666666667 39.098 > 1 26 K 0.44444444444444 0.88888888888889 0.66666666666667 39.098 > 1 27 K 0.77777777777778 0.88888888888889 0.66666666666667 39.098 > 1 28 Ho 0.11111111111111 0.22222222222222 0.16666666666667 164.930 > 28 29 Ho 0.44444444444444 0.22222222222222 0.16666666666667 164.930 > 28 30 Ho 0.77777777777778 0.22222222222222 0.16666666666667 164.930 > 28 31 Ho 0.11111111111111 0.55555555555556 0.16666666666667 164.930 > 28 32 Ho 0.44444444444444 0.55555555555556 0.16666666666667 164.930 > 28 33 Ho 0.77777777777778 0.55555555555556 0.16666666666667 164.930 > 28 34 Ho 0.11111111111111 0.88888888888889 0.16666666666667 164.930 > 28 35 Ho 0.44444444444444 0.88888888888889 0.16666666666667 164.930 > 28 36 Ho 0.77777777777778 0.88888888888889 0.16666666666667 164.930 > 28 37 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 28 38 Ho 0.33333333333333 0.00000000000000 0.50000000000000 164.930 > 28 39 Ho 0.66666666666667 0.00000000000000 0.50000000000000 164.930 > 28 40 Ho 0.00000000000000 0.33333333333333 0.50000000000000 164.930 > 28 41 Ho 0.33333333333333 0.33333333333333 0.50000000000000 164.930 > 28 42 Ho 0.66666666666667 0.33333333333333 0.50000000000000 164.930 > 28 43 Ho 0.00000000000000 0.66666666666667 0.50000000000000 164.930 > 28 44 Ho 0.33333333333333 0.66666666666667 0.50000000000000 164.930 > 28 45 Ho 0.66666666666667 0.66666666666667 0.50000000000000 164.930 > 28 46 Ho 0.22222222222222 0.11111111111111 0.83333333333333 164.930 > 28 47 Ho 0.55555555555556 0.11111111111111 0.83333333333333 164.930 > 28 48 Ho 0.88888888888889 0.11111111111111 0.83333333333333 164.930 > 28 49 Ho 0.22222222222222 0.44444444444444 0.83333333333333 164.930 > 28 50 Ho 0.55555555555556 0.44444444444444 0.83333333333333 164.930 > 28 51 Ho 0.88888888888889 0.44444444444444 0.83333333333333 164.930 > 28 52 Ho 0.22222222222222 0.77777777777778 0.83333333333333 164.930 > 28 53 Ho 0.55555555555556 0.77777777777778 0.83333333333333 164.930 > 28 54 Ho 0.88888888888889 0.77777777777778 0.83333333333333 164.930 > 28 55 O 0.22222222222222 0.11111111111111 0.10541424840372 15.999 > 55 56 O 0.55555555555556 0.11111111111111 0.10541424840372 15.999 > 55 57 O 0.88888888888889 0.11111111111111 0.10541424840372 15.999 > 55 58 O 0.22222222222222 0.44444444444444 0.10541424840372 15.999 > 55 59 O 0.55555555555556 0.44444444444444 0.10541424840372 15.999 > 55 60 O 0.88888888888889 0.44444444444444 0.10541424840372 15.999 > 55 61 O 0.22222222222222 0.77777777777778 0.10541424840372 15.999 > 55 62 O 0.55555555555556 0.77777777777778 0.10541424840372 15.999 > 55 63 O 0.88888888888889 0.77777777777778 0.10541424840372 15.999 > 55 64 O 0.00000000000000 0.00000000000000 0.22791908492962 15.999 > 64 65 O 0.33333333333333 0.00000000000000 0.22791908492962 15.999 > 64 66 O 0.66666666666667 0.00000000000000 0.22791908492962 15.999 > 64 67 O 0.00000000000000 0.33333333333333 0.22791908492962 15.999 > 64 68 O 0.33333333333333 0.33333333333333 0.22791908492962 15.999 > 64 69 O 0.66666666666667 0.33333333333333 0.22791908492962 15.999 > 64 70 O 0.00000000000000 0.66666666666667 0.22791908492962 15.999 > 64 71 O 0.33333333333333 0.66666666666667 0.22791908492962 15.999 > 64 72 O 0.66666666666667 0.66666666666667 0.22791908492962 15.999 > 64 73 O 0.11111111111111 0.22222222222222 0.43874758173705 15.999 > 55 74 O 0.44444444444444 0.22222222222222 0.43874758173705 15.999 > 55 75 O 0.77777777777778 0.22222222222222 0.43874758173705 15.999 > 55 76 O 0.11111111111111 0.55555555555556 0.43874758173705 15.999 > 55 77 O 0.44444444444444 0.55555555555556 0.43874758173705 15.999 > 55 78 O 0.77777777777778 0.55555555555556 0.43874758173705 15.999 > 55 79 O 0.11111111111111 0.88888888888889 0.43874758173705 15.999 > 55 80 O 0.44444444444444 0.88888888888889 0.43874758173705 15.999 > 55 81 O 0.77777777777778 0.88888888888889 0.43874758173705 15.999 > 55 82 O 0.22222222222222 0.11111111111111 0.56125241826295 15.999 > 64 83 O 0.55555555555556 0.11111111111111 0.56125241826295 15.999 > 64 84 O 0.88888888888889 0.11111111111111 0.56125241826295 15.999 > 64 85 O 0.22222222222222 0.44444444444444 0.56125241826295 15.999 > 64 86 O 0.55555555555556 0.44444444444444 0.56125241826295 15.999 > 64 87 O 0.88888888888889 0.44444444444444 0.56125241826295 15.999 > 64 88 O 0.22222222222222 0.77777777777778 0.56125241826295 15.999 > 64 89 O 0.55555555555556 0.77777777777778 0.56125241826295 15.999 > 64 90 O 0.88888888888889 0.77777777777778 0.56125241826295 15.999 > 64 91 O 0.00000000000000 0.00000000000000 0.77208091507038 15.999 > 55 92 O 0.33333333333333 0.00000000000000 0.77208091507038 15.999 > 55 93 O 0.66666666666667 0.00000000000000 0.77208091507038 15.999 > 55 94 O 0.00000000000000 0.33333333333333 0.77208091507038 15.999 > 55 95 O 0.33333333333333 0.33333333333333 0.77208091507038 15.999 > 55 96 O 0.66666666666667 0.33333333333333 0.77208091507038 15.999 > 55 97 O 0.00000000000000 0.66666666666667 0.77208091507038 15.999 > 55 98 O 0.33333333333333 0.66666666666667 0.77208091507038 15.999 > 55 99 O 0.66666666666667 0.66666666666667 0.77208091507038 15.999 > 55 100 O 0.11111111111111 0.22222222222222 0.89458575159628 15.999 > 64 101 O 0.44444444444444 0.22222222222222 0.89458575159628 15.999 > 64 102 O 0.77777777777778 0.22222222222222 0.89458575159628 15.999 > 64 103 O 0.11111111111111 0.55555555555556 0.89458575159628 15.999 > 64 104 O 0.44444444444444 0.55555555555556 0.89458575159628 15.999 > 64 105 O 0.77777777777778 0.55555555555556 0.89458575159628 15.999 > 64 106 O 0.11111111111111 0.88888888888889 0.89458575159628 15.999 > 64 107 O 0.44444444444444 0.88888888888889 0.89458575159628 15.999 > 64 108 O 0.77777777777778 0.88888888888889 0.89458575159628 15.999 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8309225 -0.0000000 0.0000000 0.0000000 3.8309225 0.0000000 0.0000000 0.0000000 3.2660203 -------------------------- Born effective charges -------------------------- 1 K 1.0375948 -0.0000000 0.0000000 -0.0000000 1.0375948 0.0000000 0.0000000 0.0000000 1.5740296 2 Ho 4.2074631 -0.0000000 0.0000000 -0.0000000 4.2074631 0.0000000 0.0000000 0.0000000 2.3318713 3 O -2.6225289 0.0000000 0.0000000 0.0000000 -2.6225289 0.0000000 0.0000000 0.0000000 -1.9529504 4 O -2.6225289 0.0000000 0.0000000 0.0000000 -2.6225289 0.0000000 0.0000000 0.0000000 -1.9529504 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxz) -0.00000000 (xxz) -0.00000000 (xzx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 17 17 17 ] 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: 1.04, Number of G-points: 313, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/489) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 489 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 3.069 ( 0.000 0.000 0.000) 0.000 3.069 ( 0.000 0.000 0.000) 0.000 6.027 ( 0.000 0.000 0.000) 0.000 7.360 ( 0.000 0.000 0.000) 0.000 7.360 ( 0.000 0.000 0.000) 0.000 10.318 ( 0.000 0.000 0.000) 0.000 11.083 ( 0.000 0.000 0.000) 0.000 11.083 ( 0.000 0.000 0.000) 0.000 14.388 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/489) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( 21.939 12.666 7.460) 26.408 0.623 ( 26.856 15.506 0.610) 31.017 1.144 ( 48.663 28.095 5.821) 56.491 3.088 ( 1.721 0.994 -0.746) 2.123 3.193 ( 10.186 5.881 0.214) 11.764 6.016 ( -1.763 -1.018 2.443) 3.180 7.415 ( 4.706 2.717 0.540) 5.461 10.018 ( -17.312 -9.995 -8.299) 21.645 11.049 ( -2.880 -1.663 -0.112) 3.328 11.282 ( 15.684 9.055 -18.252) 25.712 14.218 ( -13.823 -7.981 1.747) 16.057 15.424 ( 4.709 2.719 -9.782) 11.192 ======================= Grid point 2 (3/489) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 22.003 12.704 5.499) 25.996 1.228 ( 25.688 14.831 0.764) 29.672 2.254 ( 46.446 26.816 4.992) 53.863 3.141 ( 3.146 1.817 -1.402) 3.894 3.514 ( 17.015 9.823 0.595) 19.656 5.964 ( -3.187 -1.840 -0.129) 3.683 7.577 ( 9.227 5.327 0.839) 10.688 9.561 ( -20.232 -11.681 1.272) 23.396 10.957 ( -4.953 -2.860 -0.155) 5.722 11.569 ( 13.365 7.716 -18.930) 24.424 13.827 ( -20.510 -11.842 6.572) 24.578 15.473 ( 1.166 0.673 -6.517) 6.655 ======================= Grid point 3 (4/489) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 21.599 12.470 3.434) 25.176 1.797 ( 23.511 13.574 0.984) 27.166 3.219 ( 4.056 2.342 -1.907) 5.056 3.287 ( 42.091 24.302 3.615) 48.737 3.945 ( 19.789 11.425 0.965) 22.871 5.866 ( -5.182 -2.992 -1.443) 6.155 7.837 ( 13.021 7.518 0.763) 15.055 9.141 ( -16.043 -9.262 0.596) 18.534 10.832 ( -5.615 -3.242 -0.072) 6.484 11.746 ( 6.753 3.899 -17.849) 19.478 13.351 ( -23.259 -13.429 13.403) 30.016 15.426 ( -3.079 -1.778 -8.457) 9.174 ======================= Grid point 4 (5/489) ======================= q-point: ( 0.24 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 20.200 11.663 2.141) 23.423 2.304 ( 20.323 11.733 1.226) 23.499 3.310 ( 4.336 2.503 -2.236) 5.483 4.180 ( 34.130 19.705 2.076) 39.464 4.409 ( 20.579 11.881 0.359) 23.765 5.717 ( -7.345 -4.241 -1.331) 8.585 8.165 ( 15.120 8.730 0.344) 17.463 8.857 ( -8.103 -4.678 -1.813) 9.530 10.712 ( -4.625 -2.670 0.156) 5.343 11.747 ( -1.900 -1.097 -18.268) 18.400 12.861 ( -24.061 -13.892 20.336) 34.430 15.299 ( -4.763 -2.750 -10.576) 11.920 ======================= Grid point 5 (6/489) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 17.558 10.137 1.841) 20.358 2.730 ( 16.399 9.468 1.462) 18.992 3.399 ( 3.959 2.286 -2.404) 5.165 4.767 ( 17.437 10.067 2.137) 20.248 4.949 ( 25.147 14.519 -5.525) 29.558 5.535 ( -7.811 -4.510 2.884) 9.469 8.511 ( 14.566 8.410 -0.232) 16.821 8.773 ( 1.681 0.971 -4.051) 4.492 10.632 ( -2.255 -1.302 0.475) 2.647 11.548 ( -9.910 -5.721 -17.896) 21.242 12.371 ( -25.082 -14.481 22.521) 36.688 15.172 ( -2.814 -1.625 -10.148) 10.656 ======================= Grid point 6 (7/489) ======================= q-point: ( 0.35 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( 13.834 7.987 2.094) 16.110 3.062 ( 12.145 7.012 1.691) 14.126 3.472 ( 2.944 1.700 -2.450) 4.190 5.073 ( 6.690 3.862 -4.816) 9.103 5.242 ( 2.405 1.389 -5.884) 6.506 5.583 ( 13.167 7.602 9.139) 17.739 8.810 ( 11.286 6.516 -0.666) 13.049 8.904 ( 10.832 6.254 -5.386) 13.618 10.614 ( 0.482 0.278 0.708) 0.901 11.217 ( -13.859 -8.001 -13.544) 20.965 11.841 ( -26.575 -15.343 17.449) 35.301 15.118 ( 0.411 0.237 -7.079) 7.095 ======================= Grid point 7 (8/489) ======================= q-point: ( 0.41 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( 9.221 5.324 2.050) 10.843 3.298 ( 7.946 4.588 1.917) 9.374 3.514 ( 1.298 0.750 -2.410) 2.838 4.979 ( -6.446 -3.722 -6.847) 10.114 5.400 ( 7.512 4.337 2.154) 8.938 5.899 ( 10.744 6.203 2.907) 12.742 9.014 ( 6.629 3.827 -0.684) 7.685 9.218 ( 17.615 10.170 -5.636) 21.107 10.648 ( 1.878 1.084 0.641) 2.261 10.837 ( -17.381 -10.035 -4.883) 20.656 11.309 ( -21.354 -12.329 7.941) 25.905 15.132 ( 1.836 1.060 -3.613) 4.189 ======================= Grid point 8 (9/489) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.289 ( 3.376 1.949 0.932) 4.008 3.441 ( 4.023 2.323 2.016) 5.064 3.511 ( -0.913 -0.527 -2.187) 2.428 4.848 ( -2.935 -1.694 -2.348) 4.123 5.526 ( 2.784 1.608 0.747) 3.301 6.072 ( 3.707 2.140 0.765) 4.348 9.112 ( 2.111 1.219 -0.282) 2.453 9.634 ( 17.591 10.156 -4.253) 20.753 10.386 ( -18.847 -10.882 2.503) 21.907 10.686 ( 0.995 0.574 0.255) 1.176 10.999 ( -6.487 -3.745 0.503) 7.508 15.160 ( 0.929 0.536 -1.041) 1.494 ======================= Grid point 18 (10/489) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 0.000 23.656 18.599) 30.092 0.659 ( 0.000 30.219 7.916) 31.239 1.141 ( 0.000 55.309 5.481) 55.580 3.090 ( -0.000 2.170 -0.279) 2.188 3.187 ( -0.000 11.537 -1.105) 11.590 6.024 ( 0.000 -3.574 3.911) 5.298 7.411 ( 0.000 5.280 -0.113) 5.282 9.930 ( -0.000 -11.566 -26.130) 28.575 11.049 ( -0.000 -3.334 -0.205) 3.340 11.277 ( -0.000 20.541 -17.409) 26.926 14.219 ( 0.000 -16.431 1.802) 16.530 15.369 ( -0.000 9.539 -19.052) 21.306 ======================= Grid point 19 (11/489) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 10.292 21.659 13.759) 27.647 1.114 ( 13.533 26.960 4.770) 30.540 1.967 ( 28.176 45.733 5.914) 54.040 3.128 ( 1.406 3.552 -1.012) 3.952 3.403 ( 9.421 14.796 -0.686) 17.554 5.980 ( -1.662 -3.340 0.093) 3.732 7.522 ( 5.074 7.870 0.427) 9.374 9.664 ( -8.305 -18.991 -4.086) 21.126 10.969 ( -3.016 -4.938 -0.835) 5.846 11.467 ( 5.196 18.079 -21.043) 28.225 13.950 ( -9.839 -20.206 5.070) 23.039 15.433 ( 2.532 4.109 -10.653) 11.695 ======================= Grid point 20 (12/489) ======================= q-point: ( 0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 14.953 18.888 8.695) 25.611 1.640 ( 16.691 23.339 2.971) 28.847 2.939 ( 33.764 36.956 4.733) 50.280 3.200 ( 2.340 5.156 -1.752) 5.927 3.770 ( 15.296 15.063 0.071) 21.468 5.899 ( -3.336 -4.053 -1.824) 5.557 7.739 ( 9.169 10.504 0.854) 13.969 9.289 ( -13.394 -15.169 0.955) 20.259 10.859 ( -3.164 -5.682 -0.715) 6.543 11.637 ( 5.209 10.093 -21.095) 23.958 13.552 ( -14.899 -20.979 11.103) 28.025 15.432 ( -1.761 0.165 -9.205) 9.373 ======================= Grid point 21 (13/489) ======================= q-point: ( 0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 16.279 16.313 4.927) 23.567 2.154 ( 16.470 20.397 2.435) 26.329 3.294 ( 2.452 6.605 -2.300) 7.411 3.854 ( 32.001 29.541 2.822) 43.643 4.201 ( 17.788 13.281 0.374) 22.202 5.773 ( -5.242 -5.077 -2.161) 7.611 8.042 ( 11.958 12.648 0.866) 17.427 8.955 ( -10.683 -8.835 -0.351) 13.868 10.750 ( -3.387 -4.124 -0.248) 5.343 11.686 ( 0.955 1.391 -20.451) 20.521 13.112 ( -17.344 -20.380 17.757) 32.116 15.326 ( -5.177 -1.971 -10.552) 11.917 ======================= Grid point 22 (14/489) ======================= q-point: ( 0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 15.983 12.942 2.841) 20.761 2.617 ( 14.012 18.406 2.146) 23.232 3.395 ( 1.792 7.687 -2.653) 8.327 4.579 ( 19.432 15.517 3.787) 25.154 4.662 ( 23.849 16.588 -4.589) 29.411 5.613 ( -6.358 -5.482 0.454) 8.407 8.388 ( 12.418 13.307 0.573) 18.209 8.773 ( -3.134 -1.778 -2.744) 4.529 10.668 ( -2.841 -1.289 0.227) 3.128 11.560 ( -5.444 -5.756 -19.669) 21.205 12.664 ( -19.537 -19.249 21.381) 34.776 15.179 ( -4.579 -2.414 -10.818) 11.993 ======================= Grid point 23 (15/489) ======================= q-point: ( 0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 14.389 8.952 2.071) 17.073 3.007 ( 10.000 17.005 1.853) 19.814 3.487 ( 0.493 8.248 -2.858) 8.743 4.944 ( 12.182 6.080 -0.754) 13.636 5.138 ( 11.808 8.630 -10.685) 18.113 5.527 ( 2.646 1.269 10.308) 10.717 8.701 ( 10.094 8.602 -0.497) 13.271 8.816 ( 6.112 8.497 -4.020) 11.212 10.632 ( -1.503 1.169 0.659) 2.015 11.287 ( -9.897 -9.423 -16.474) 21.404 12.177 ( -23.446 -17.719 18.681) 34.823 15.079 ( -0.498 -2.133 -8.302) 8.587 ======================= Grid point 24 (16/489) ======================= q-point: ( 0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.002 ( 11.638 5.086 1.658) 12.809 3.304 ( 5.129 15.336 1.623) 16.252 3.553 ( -1.329 8.284 -2.885) 8.872 5.006 ( -3.279 -3.281 -9.633) 10.691 5.303 ( 8.480 3.674 1.752) 9.406 5.782 ( 11.773 6.865 6.573) 15.131 8.950 ( 11.572 7.311 -1.772) 13.802 9.051 ( 8.310 12.583 -4.068) 15.619 10.633 ( -0.255 0.594 0.903) 1.111 10.960 ( -11.638 -10.035 -10.402) 18.557 11.643 ( -25.267 -12.710 11.812) 30.651 15.063 ( 3.245 -2.445 -4.513) 6.073 ======================= Grid point 25 (17/489) ======================= q-point: ( 0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.205 ( 7.397 1.420 0.513) 7.549 3.495 ( 0.276 12.837 1.507) 12.928 3.584 ( -3.563 8.013 -2.575) 9.139 4.874 ( -3.783 -2.614 -5.404) 7.095 5.462 ( 5.981 0.736 1.113) 6.128 6.012 ( 6.855 2.787 3.618) 8.237 9.159 ( 1.066 11.016 -0.119) 11.068 9.370 ( 18.787 8.051 -5.879) 21.268 10.586 ( -12.900 -10.131 2.186) 16.547 10.637 ( -2.813 -5.399 -2.991) 6.783 11.224 ( -16.795 0.930 3.586) 17.199 15.094 ( 4.275 -3.563 -1.417) 5.743 ======================= Grid point 26 (18/489) ======================= q-point: (-0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.273 ( 1.162 -2.615 -1.795) 3.378 3.566 ( -6.686 8.459 -1.633) 10.905 3.588 ( -3.141 9.132 1.454) 9.766 4.826 ( 1.080 0.552 -0.881) 1.499 5.516 ( 1.150 -2.644 -0.646) 2.955 6.088 ( 0.123 -1.514 2.201) 2.674 9.220 ( -5.348 9.331 -0.231) 10.758 9.673 ( 6.440 -5.529 -1.659) 8.648 10.281 ( -3.242 1.503 0.400) 3.596 10.611 ( 3.681 -5.625 0.338) 6.731 11.102 ( -6.562 10.536 0.088) 12.412 15.117 ( 3.170 -4.752 0.816) 5.770 ======================= Grid point 27 (19/489) ======================= q-point: (-0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.186 ( -4.984 -5.875 -3.349) 8.401 3.480 ( -11.239 6.291 -1.798) 13.004 3.607 ( -5.051 7.405 2.343) 9.265 4.915 ( 6.342 3.023 3.181) 7.712 5.446 ( -4.012 -5.407 -2.363) 7.136 5.998 ( -7.311 -5.127 0.867) 8.972 9.159 ( -9.664 4.068 -0.131) 10.486 9.421 ( -15.723 -11.717 4.812) 20.190 10.556 ( 15.529 4.914 -3.691) 16.701 10.665 ( 8.386 3.060 2.617) 9.303 11.193 ( 4.893 13.188 -2.792) 14.341 15.115 ( 1.757 -4.968 3.004) 6.066 ======================= Grid point 28 (20/489) ======================= q-point: (-0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( -9.886 -7.576 -3.267) 12.876 3.289 ( -15.872 3.313 -1.534) 16.286 3.578 ( -6.569 5.549 2.393) 8.926 5.089 ( 6.027 1.903 7.751) 10.001 5.275 ( -5.948 -5.457 -4.470) 9.227 5.742 ( -14.812 -7.848 -1.604) 16.840 8.964 ( -11.917 -4.771 1.110) 12.885 9.093 ( -15.080 -3.093 4.634) 16.076 10.624 ( -0.267 0.504 -0.905) 1.069 11.051 ( 18.389 7.206 8.470) 21.490 11.524 ( 19.506 13.755 -12.634) 27.006 15.113 ( 1.727 -3.396 5.711) 6.865 ======================= Grid point 29 (21/489) ======================= q-point: (-0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( -14.652 -8.076 -2.354) 16.895 2.993 ( -19.813 -0.209 -1.186) 19.850 3.511 ( -7.439 3.809 2.198) 8.642 4.943 ( -13.734 -8.391 -0.488) 16.102 5.246 ( -16.760 -8.053 11.021) 21.615 5.430 ( 3.099 1.101 -9.643) 10.189 8.706 ( -13.630 -4.598 0.642) 14.399 8.857 ( -9.759 -1.859 4.343) 10.842 10.625 ( -0.101 1.918 -0.760) 2.066 11.442 ( 14.970 5.091 16.146) 22.599 11.986 ( 25.023 10.928 -21.449) 34.722 15.159 ( 3.453 -0.354 8.245) 8.946 ======================= Grid point 30 (22/489) ======================= q-point: (-0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -19.400 -7.753 -1.413) 20.940 2.603 ( -23.030 -3.185 -0.886) 23.266 3.417 ( -7.556 2.232 1.891) 8.103 4.554 ( -23.288 -9.368 -1.545) 25.149 4.690 ( -28.401 -12.650 1.070) 31.109 5.611 ( 9.641 3.333 0.179) 10.203 8.385 ( -17.794 -4.510 -0.145) 18.357 8.801 ( 2.211 1.163 3.037) 3.933 10.664 ( 2.741 1.931 -0.478) 3.387 11.735 ( 7.954 2.048 16.400) 18.342 12.460 ( 27.123 8.612 -20.834) 35.269 15.273 ( 5.147 2.173 8.782) 10.408 ======================= Grid point 31 (23/489) ======================= q-point: (-0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -23.257 -6.883 -1.069) 24.278 2.140 ( -25.962 -4.513 -0.507) 26.356 3.312 ( -6.921 0.949 1.455) 7.136 3.832 ( -42.518 -13.018 -1.492) 44.491 4.196 ( -20.687 -8.398 -0.937) 22.346 5.788 ( 7.354 2.059 0.922) 7.692 8.036 ( -17.020 -4.182 -0.441) 17.532 8.961 ( 12.019 4.285 0.849) 12.788 10.751 ( 5.435 1.083 -0.132) 5.544 11.846 ( -0.937 -0.601 12.103) 12.154 12.962 ( 28.164 7.121 -12.960) 31.810 15.409 ( 4.445 2.382 6.651) 8.347 ======================= Grid point 32 (24/489) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -25.599 -5.088 -1.140) 26.124 1.626 ( -28.777 -3.610 -0.065) 29.003 2.907 ( -49.982 -10.373 -1.840) 51.080 3.213 ( -5.599 0.135 0.843) 5.664 3.767 ( -20.659 -5.060 -0.568) 21.277 5.909 ( 4.906 0.872 0.360) 4.996 7.733 ( -13.738 -2.519 -0.433) 13.974 9.282 ( 19.518 4.380 -0.584) 20.012 10.863 ( 6.616 0.129 0.111) 6.618 11.780 ( -9.040 -1.161 8.014) 12.136 13.471 ( 27.064 4.619 -5.280) 27.959 15.492 ( 1.194 0.846 3.299) 3.609 ======================= Grid point 33 (25/489) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -26.365 -0.000 0.000) 26.365 1.091 ( -30.894 -0.000 0.000) 30.894 1.938 ( -54.716 -0.000 0.000) 54.716 3.133 ( -3.769 -0.000 0.000) 3.769 3.406 ( -17.481 -0.000 0.000) 17.481 5.980 ( 2.890 0.000 -0.000) 2.890 7.520 ( -9.344 -0.000 0.000) 9.344 9.683 ( 23.674 0.000 -0.000) 23.674 10.972 ( 5.828 0.000 -0.000) 5.828 11.573 ( -15.560 -0.000 0.000) 15.560 13.925 ( 23.064 0.000 -0.000) 23.064 15.488 ( -2.480 -0.000 0.000) 2.480 ======================= Grid point 36 (26/489) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 0.000 23.470 16.184) 28.509 1.290 ( 0.000 28.490 6.815) 29.293 2.254 ( 0.000 53.170 5.113) 53.416 3.148 ( -0.000 3.895 -0.668) 3.952 3.491 ( -0.000 19.187 -1.848) 19.275 5.955 ( -0.000 -4.271 -1.056) 4.399 7.569 ( 0.000 10.632 0.012) 10.632 9.510 ( -0.000 -19.464 -3.892) 19.850 10.954 ( -0.000 -5.812 -0.443) 5.829 11.549 ( -0.000 17.011 -19.941) 26.211 13.814 ( 0.000 -25.432 5.313) 25.982 15.424 ( -0.000 5.045 -10.555) 11.699 ======================= Grid point 37 (27/489) ======================= q-point: ( 0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 5.418 22.548 12.873) 26.524 1.678 ( 9.619 26.107 5.292) 28.321 2.935 ( 16.605 47.310 4.528) 50.343 3.210 ( 2.268 5.232 -1.147) 5.817 3.745 ( 7.058 19.691 -1.550) 20.975 5.890 ( -1.637 -4.942 -2.371) 5.721 7.734 ( 5.240 13.138 0.518) 14.154 9.279 ( -4.778 -17.597 0.441) 18.239 10.855 ( -3.351 -5.848 -0.987) 6.812 11.635 ( 0.700 11.029 -21.233) 23.937 13.520 ( -5.890 -26.860 9.271) 29.019 15.432 ( -0.591 1.862 -8.956) 9.167 ======================= Grid point 38 (28/489) ======================= q-point: ( 0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 9.357 19.671 8.434) 23.359 2.139 ( 12.844 23.973 4.097) 27.504 3.316 ( 3.233 7.428 -1.853) 8.310 3.724 ( 22.565 38.566 2.654) 44.761 4.090 ( 11.703 16.844 -0.600) 20.519 5.785 ( -3.391 -5.720 -2.633) 7.152 8.005 ( 9.112 15.504 1.234) 18.026 9.018 ( -7.932 -11.753 0.891) 14.208 10.748 ( -2.142 -4.641 -1.096) 5.228 11.638 ( -0.731 2.678 -21.725) 21.902 13.160 ( -9.376 -26.138 14.820) 31.476 15.365 ( -4.409 -0.887 -9.171) 10.215 ======================= Grid point 39 (29/489) ======================= q-point: ( 0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 11.208 15.583 4.881) 19.806 2.606 ( 12.807 22.610 3.429) 26.210 3.447 ( 2.519 10.029 -2.524) 10.644 4.448 ( 20.264 21.808 -5.427) 30.260 4.462 ( 15.447 19.254 4.790) 25.145 5.650 ( -4.644 -5.861 -0.612) 7.503 8.345 ( 10.573 16.645 1.811) 19.802 8.815 ( -5.391 -3.901 -1.142) 6.752 10.688 ( -0.895 -1.524 -0.579) 1.859 11.517 ( -3.942 -5.410 -21.228) 22.258 12.780 ( -11.872 -24.426 18.841) 33.054 15.219 ( -6.533 -2.269 -9.774) 11.973 ======================= Grid point 40 (30/489) ======================= q-point: ( 0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 11.601 11.107 2.901) 16.321 3.037 ( 10.416 21.515 2.691) 24.055 3.578 ( 0.639 12.372 -3.174) 12.789 4.783 ( 12.981 6.371 -2.003) 14.598 4.998 ( 14.294 16.406 -5.562) 22.459 5.546 ( -1.440 -1.774 6.375) 6.772 8.640 ( 5.876 7.316 0.731) 9.412 8.820 ( 5.008 12.440 -2.060) 13.567 10.680 ( -0.921 2.583 -0.006) 2.743 11.274 ( -7.009 -10.582 -18.803) 22.686 12.377 ( -15.466 -22.009 18.280) 32.523 15.063 ( -4.313 -3.099 -8.686) 10.181 ======================= Grid point 41 (31/489) ======================= q-point: ( 0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.873 ( 10.680 6.868 1.759) 12.819 3.396 ( 6.211 20.011 2.028) 21.051 3.688 ( -1.910 14.069 -3.601) 14.648 4.952 ( 3.558 -1.229 -9.291) 10.025 5.215 ( 5.882 3.652 0.304) 6.930 5.688 ( 9.314 6.650 8.308) 14.142 8.799 ( 9.506 4.846 -2.319) 10.919 9.102 ( 5.947 18.766 -0.623) 19.695 10.688 ( -2.960 3.859 -0.020) 4.863 10.979 ( -7.515 -11.337 -13.529) 19.184 11.930 ( -19.279 -16.743 13.267) 28.775 14.971 ( 0.690 -4.507 -5.680) 7.284 ======================= Grid point 42 (32/489) ======================= q-point: ( 0.47 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.090 ( 8.284 2.898 0.372) 8.784 3.650 ( 0.863 17.502 1.527) 17.590 3.766 ( -4.709 15.227 -3.312) 16.279 4.885 ( -2.699 -2.647 -7.783) 8.652 5.359 ( 6.763 0.181 2.625) 7.257 5.920 ( 8.326 2.911 5.163) 10.220 9.066 ( 15.550 6.144 -2.668) 16.932 9.346 ( 1.249 17.580 -1.335) 17.675 10.609 ( -4.598 -4.912 -3.909) 7.781 10.729 ( -10.016 -5.905 -1.971) 11.793 11.526 ( -16.680 -4.327 6.098) 18.279 14.953 ( 4.670 -6.536 -2.389) 8.380 ======================= Grid point 43 (33/489) ======================= q-point: ( 0.53 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( 3.807 -1.038 -1.811) 4.341 3.772 ( -5.006 13.203 -0.860) 14.147 3.817 ( -6.803 16.895 0.041) 18.213 4.818 ( -0.624 0.080 -3.761) 3.814 5.440 ( 3.704 -3.468 0.469) 5.096 6.047 ( 3.914 -1.845 4.002) 5.894 9.394 ( 13.218 6.215 -0.390) 14.611 9.465 ( -2.618 9.375 -3.619) 10.385 10.456 ( -12.678 -1.632 1.336) 12.852 10.502 ( -0.074 -6.459 -0.590) 6.486 11.343 ( -9.240 7.927 0.649) 12.192 14.971 ( 5.983 -8.186 0.186) 10.141 ======================= Grid point 44 (34/489) ======================= q-point: (-0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.184 ( -1.942 -4.106 -3.654) 5.829 3.753 ( -10.396 11.176 -2.171) 15.417 3.850 ( -8.776 15.094 2.653) 17.660 4.854 ( 4.128 2.363 -0.369) 4.771 5.416 ( -0.451 -6.518 -1.792) 6.774 6.040 ( -2.209 -5.028 3.291) 6.402 9.372 ( -10.467 -2.135 -1.846) 10.840 9.535 ( -3.877 1.126 2.759) 4.890 10.412 ( 5.317 10.784 -2.328) 12.247 10.540 ( 7.940 -1.709 2.452) 8.484 11.317 ( -4.587 10.224 -1.974) 11.379 14.992 ( 5.593 -8.337 2.279) 10.295 ======================= Grid point 45 (35/489) ======================= q-point: (-0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( -6.864 -5.455 -3.858) 9.579 3.620 ( -15.603 8.140 -1.906) 17.702 3.827 ( -10.850 12.485 3.008) 16.812 4.996 ( 8.401 2.922 2.698) 9.295 5.289 ( -4.531 -8.069 -3.860) 10.027 5.889 ( -9.744 -6.524 2.209) 11.932 9.103 ( -11.774 -9.300 1.256) 15.056 9.386 ( -15.654 4.395 2.602) 16.466 10.622 ( 3.518 6.851 -1.517) 7.849 10.801 ( 19.330 5.805 3.845) 20.546 11.396 ( 5.408 8.817 -6.527) 12.230 15.020 ( 5.261 -6.327 4.287) 9.279 ======================= Grid point 46 (36/489) ======================= q-point: (-0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( -11.102 -5.489 -2.896) 12.718 3.366 ( -20.521 4.540 -1.263) 21.055 3.747 ( -11.780 9.077 2.448) 15.071 5.058 ( -8.803 -8.059 1.116) 11.987 5.224 ( 10.397 2.298 -0.358) 10.654 5.586 ( -18.289 -6.803 -0.146) 19.514 8.842 ( -9.417 -6.653 2.127) 11.725 9.129 ( -18.394 2.201 1.969) 18.630 10.678 ( -2.487 5.223 -0.908) 5.856 11.233 ( 20.399 4.691 11.982) 24.119 11.638 ( 17.263 6.282 -16.204) 24.496 15.086 ( 5.958 -2.717 5.827) 8.766 ======================= Grid point 47 (37/489) ======================= q-point: (-0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( -15.592 -4.588 -1.571) 16.329 3.005 ( -24.244 1.372 -0.709) 24.293 3.624 ( -11.402 5.378 1.629) 12.711 4.777 ( -14.211 -6.950 -1.141) 15.861 5.107 ( -28.281 -7.306 2.485) 29.315 5.455 ( 11.445 2.402 -1.280) 11.765 8.637 ( -12.437 -2.656 0.490) 12.727 8.866 ( -10.715 0.093 2.357) 10.971 10.673 ( -1.611 2.854 -0.693) 3.350 11.621 ( 13.751 2.336 16.654) 21.723 11.997 ( 25.733 4.145 -20.444) 33.126 15.207 ( 6.932 0.410 5.744) 9.012 ======================= Grid point 48 (38/489) ======================= q-point: (-0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -20.468 -2.836 -0.535) 20.670 2.569 ( -26.441 -0.398 -0.332) 26.446 3.479 ( -10.042 2.098 0.815) 10.291 4.408 ( -27.658 -3.942 -0.544) 27.943 4.502 ( -28.761 -5.503 -0.057) 29.283 5.658 ( 9.822 1.116 0.268) 9.889 8.326 ( -19.379 -1.427 -0.164) 19.432 8.839 ( 4.773 0.892 1.172) 4.995 10.691 ( 2.011 0.840 -0.278) 2.197 11.834 ( 5.549 0.202 7.452) 9.293 12.471 ( 29.933 2.743 -9.182) 31.429 15.350 ( 6.525 1.181 3.491) 7.494 ======================= Grid point 49 (39/489) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -24.521 -0.000 0.000) 24.521 2.098 ( -27.762 -0.000 0.000) 27.762 3.334 ( -8.009 -0.000 0.000) 8.009 3.690 ( -45.959 -0.000 0.000) 45.959 4.101 ( -20.798 -0.000 0.000) 20.798 5.811 ( 7.244 0.000 -0.000) 7.244 7.993 ( -17.721 -0.000 0.000) 17.721 9.011 ( 13.637 0.000 -0.000) 13.637 10.758 ( 5.226 0.000 -0.000) 5.226 11.879 ( -1.589 -0.000 0.000) 1.589 12.990 ( 29.823 0.000 -0.000) 29.823 15.457 ( 4.222 0.000 -0.000) 4.222 ======================= Grid point 54 (40/489) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 0.000 21.846 12.693) 25.265 1.867 ( 0.000 25.540 5.319) 26.088 3.231 ( -0.000 4.879 -1.214) 5.028 3.301 ( 0.000 48.934 4.090) 49.105 3.893 ( -0.000 21.886 -2.241) 22.001 5.843 ( -0.000 -5.593 -2.900) 6.300 7.830 ( 0.000 15.405 0.357) 15.410 9.153 ( 0.000 -15.064 1.757) 15.166 10.823 ( -0.000 -6.711 -0.650) 6.742 11.654 ( -0.000 6.508 -23.112) 24.011 13.315 ( 0.000 -29.162 10.640) 31.043 15.431 ( -0.000 1.628 -7.751) 7.920 ======================= Grid point 55 (41/489) ======================= q-point: ( 0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 3.377 19.822 9.787) 22.363 2.203 ( 8.357 23.447 4.489) 25.294 3.311 ( 3.766 5.852 -1.566) 7.133 3.865 ( 9.651 43.057 1.733) 44.160 4.139 ( 4.303 20.542 -1.183) 21.021 5.762 ( -1.672 -6.020 -2.656) 6.789 8.043 ( 5.581 17.253 0.933) 18.157 9.004 ( -3.231 -10.402 2.384) 11.151 10.733 ( -2.103 -5.497 -1.087) 5.986 11.601 ( -1.114 -0.361 -24.234) 24.262 13.034 ( -3.329 -28.868 14.103) 32.301 15.397 ( -2.657 -0.078 -7.214) 7.688 ======================= Grid point 56 (42/489) ======================= q-point: ( 0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 5.826 16.159 6.314) 18.301 2.625 ( 12.310 22.045 3.918) 25.551 3.461 ( 5.856 8.262 -2.030) 10.328 4.375 ( 9.064 19.040 -7.400) 22.348 4.496 ( 11.161 30.465 5.379) 32.888 5.656 ( -2.983 -5.440 -0.568) 6.230 8.358 ( 9.122 18.370 2.168) 20.625 8.864 ( -4.650 -3.728 0.761) 6.008 10.667 ( 0.204 -2.612 -1.371) 2.957 11.452 ( -3.232 -6.957 -23.140) 24.378 12.724 ( -5.812 -27.494 16.773) 32.727 15.286 ( -6.349 -1.580 -7.527) 9.973 ======================= Grid point 57 (43/489) ======================= q-point: ( 0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 7.552 11.925 3.731) 14.600 3.067 ( 12.346 20.977 3.266) 24.559 3.651 ( 4.983 12.042 -2.879) 13.346 4.639 ( 9.607 8.085 -5.791) 13.828 4.967 ( 9.611 21.012 -0.910) 23.124 5.577 ( -1.768 -0.945 4.746) 5.152 8.652 ( 2.901 8.806 2.457) 9.591 8.861 ( 4.675 12.791 -0.656) 13.634 10.686 ( 2.794 1.730 -1.219) 3.505 11.212 ( -5.743 -11.328 -20.435) 24.060 12.394 ( -8.258 -25.660 16.787) 31.755 15.114 ( -7.751 -2.733 -7.507) 11.131 ======================= Grid point 58 (44/489) ======================= q-point: ( 0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 8.239 7.772 1.983) 11.498 3.470 ( 9.684 19.596 2.543) 22.006 3.839 ( 1.639 16.090 -3.897) 16.636 4.815 ( 7.735 0.441 -7.997) 11.135 5.185 ( 2.617 5.185 -0.075) 5.809 5.662 ( 4.571 7.527 7.635) 11.655 8.734 ( 3.164 5.372 -0.730) 6.277 9.181 ( 8.015 20.106 1.569) 21.701 10.771 ( 1.321 6.814 -0.952) 7.006 10.920 ( -6.325 -13.278 -16.481) 22.089 12.038 ( -10.926 -21.910 13.756) 28.083 14.942 ( -5.095 -4.464 -6.161) 9.157 ======================= Grid point 59 (45/489) ======================= q-point: ( 0.47 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( 7.551 3.870 0.373) 8.493 3.791 ( 4.818 17.919 1.650) 18.628 3.992 ( -2.430 18.413 -3.872) 18.972 4.852 ( 1.362 -1.668 -8.776) 9.036 5.269 ( 4.419 -0.141 4.525) 6.327 5.840 ( 5.780 3.703 5.168) 8.592 8.902 ( 9.541 6.983 -1.593) 11.930 9.486 ( 4.076 18.237 1.676) 18.762 10.618 ( -7.234 -10.839 -11.274) 17.231 10.844 ( -3.733 5.862 -0.115) 6.950 11.705 ( -10.419 -12.214 8.222) 18.037 14.825 ( 0.145 -7.193 -3.705) 8.093 ======================= Grid point 60 (46/489) ======================= q-point: ( 0.53 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( 5.062 0.293 -1.505) 5.289 3.987 ( -2.246 16.376 -0.585) 16.539 4.101 ( -4.966 18.135 -0.742) 18.818 4.823 ( -0.786 1.251 -6.029) 6.207 5.341 ( 3.885 -3.512 2.907) 5.990 5.952 ( 5.136 -2.935 4.303) 7.315 9.167 ( 13.369 5.535 -1.940) 14.599 9.668 ( -2.415 13.154 0.856) 13.401 10.404 ( -1.513 -9.251 -5.548) 10.893 10.737 ( -13.872 4.974 2.136) 14.891 11.536 ( -5.834 1.981 1.790) 6.416 14.778 ( 4.897 -9.729 -1.090) 10.946 ======================= Grid point 61 (47/489) ======================= q-point: (-0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( 0.790 -2.440 -3.094) 4.019 4.039 ( -8.696 14.443 -2.269) 17.011 4.173 ( -7.499 16.878 2.909) 18.697 4.830 ( 0.924 3.384 -3.552) 4.992 5.337 ( 0.915 -6.709 -0.223) 6.774 5.987 ( 2.904 -6.667 4.209) 8.403 9.357 ( 3.601 -4.245 -2.036) 5.927 9.687 ( -4.791 8.950 0.578) 10.168 10.375 ( 6.651 -4.951 0.220) 8.294 10.600 ( -9.868 13.718 1.373) 16.955 11.490 ( -5.748 6.164 -1.895) 8.639 14.787 ( 7.526 -10.245 1.114) 12.760 ======================= Grid point 62 (48/489) ======================= q-point: (-0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( -3.826 -3.580 -3.401) 6.247 3.961 ( -14.060 10.502 -2.119) 17.677 4.186 ( -11.550 15.618 4.030) 19.838 4.905 ( 5.077 3.220 -1.707) 6.249 5.245 ( -1.687 -9.116 -2.215) 9.531 5.940 ( -2.356 -6.736 3.530) 7.961 9.195 ( -9.543 -9.024 -0.007) 13.134 9.668 ( -9.240 5.069 0.856) 10.574 10.545 ( 15.447 1.970 1.285) 15.624 10.695 ( 0.114 16.264 1.448) 16.329 11.434 ( -4.087 2.792 -4.625) 6.774 14.839 ( 8.465 -7.993 2.722) 11.956 ======================= Grid point 63 (49/489) ======================= q-point: (-0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.936 ( -7.837 -3.266 -2.509) 8.853 3.753 ( -18.712 5.759 -1.370) 19.626 4.100 ( -15.456 11.669 3.076) 19.609 5.057 ( 9.416 1.922 0.869) 9.650 5.096 ( -4.207 -8.233 -3.443) 9.866 5.784 ( -10.412 -4.932 2.101) 11.711 8.944 ( -9.802 -6.399 1.187) 11.766 9.474 ( -16.957 2.502 0.847) 17.162 10.809 ( -2.139 10.401 -2.100) 10.824 10.934 ( 20.334 5.156 7.902) 22.416 11.427 ( 6.225 -0.879 -8.723) 10.752 14.938 ( 8.850 -4.083 3.382) 10.316 ======================= Grid point 64 (50/489) ======================= q-point: (-0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( -11.677 -2.007 -1.149) 11.904 3.430 ( -22.801 2.017 -0.537) 22.896 3.918 ( -15.718 5.279 1.326) 16.634 4.912 ( -8.685 -4.693 -0.954) 9.918 5.263 ( 11.962 0.980 0.552) 12.015 5.488 ( -20.224 -2.725 0.235) 20.408 8.757 ( -7.163 -2.562 0.890) 7.659 9.169 ( -19.917 0.831 0.582) 19.942 10.778 ( -6.827 3.793 -0.482) 7.825 11.398 ( 22.772 3.487 14.741) 27.350 11.575 ( 15.950 -1.155 -16.477) 22.962 15.079 ( 9.005 -0.850 2.526) 9.391 ======================= Grid point 65 (51/489) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( -15.929 -0.000 0.000) 15.929 3.019 ( -25.611 -0.000 0.000) 25.611 3.694 ( -13.213 -0.000 0.000) 13.213 4.695 ( -13.817 -0.000 0.000) 13.817 5.038 ( -30.176 -0.000 0.000) 30.176 5.477 ( 11.765 0.000 -0.000) 11.765 8.611 ( -11.748 -0.000 0.000) 11.748 8.876 ( -10.910 -0.000 0.000) 10.910 10.704 ( -2.983 -0.000 0.000) 2.983 11.714 ( 9.900 0.000 -0.000) 9.900 11.951 ( 29.695 0.000 -0.000) 29.695 15.232 ( 8.322 0.000 -0.000) 8.322 ======================= Grid point 72 (52/489) ======================= q-point: ( 0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 0.000 17.991 8.556) 19.922 2.364 ( 0.000 21.568 3.837) 21.906 3.321 ( -0.000 5.065 -1.841) 5.389 4.197 ( -0.000 35.614 -4.933) 35.954 4.328 ( 0.000 26.037 3.916) 26.330 5.710 ( -0.000 -5.648 -1.762) 5.917 8.170 ( 0.000 18.029 0.562) 18.038 8.957 ( 0.000 -6.032 3.389) 6.919 10.694 ( -0.000 -5.519 -0.623) 5.554 11.497 ( -0.000 -6.217 -26.634) 27.350 12.819 ( 0.000 -28.725 15.247) 32.521 15.401 ( -0.000 -0.045 -5.702) 5.702 ======================= Grid point 73 (53/489) ======================= q-point: ( 0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 1.875 14.809 5.991) 16.084 2.657 ( 8.613 19.595 3.284) 21.655 3.416 ( 5.622 5.711 -2.034) 8.268 4.444 ( 2.256 17.775 -9.505) 20.283 4.703 ( 4.267 32.842 5.594) 33.588 5.648 ( -1.367 -3.431 0.798) 3.778 8.409 ( 6.373 18.263 1.158) 19.378 8.909 ( -2.646 -0.732 2.381) 3.634 10.635 ( -0.548 -3.374 -0.895) 3.533 11.320 ( -0.634 -11.328 -25.234) 27.667 12.567 ( -2.382 -27.727 15.741) 31.973 15.348 ( -4.084 -0.639 -5.215) 6.655 ======================= Grid point 74 (54/489) ======================= q-point: ( 0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 3.736 11.054 3.592) 12.208 3.046 ( 13.134 17.817 2.757) 22.306 3.612 ( 9.683 8.198 -2.271) 12.889 4.595 ( 3.217 9.491 -9.507) 13.814 5.068 ( 3.771 21.109 1.646) 21.506 5.627 ( -1.086 3.669 5.201) 6.457 8.712 ( 4.829 13.391 2.969) 14.542 8.908 ( 1.992 9.359 -0.352) 9.575 10.629 ( 2.970 -0.422 -1.462) 3.337 11.099 ( -2.232 -13.220 -21.134) 25.028 12.287 ( -4.426 -26.662 14.778) 30.804 15.214 ( -8.123 -1.465 -5.300) 9.809 ======================= Grid point 75 (55/489) ======================= q-point: ( 0.41 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 5.319 7.428 1.779) 9.307 3.454 ( 13.430 15.801 2.202) 20.854 3.881 ( 9.804 12.951 -3.070) 16.531 4.685 ( 4.509 1.599 -9.068) 10.253 5.228 ( -0.521 6.332 1.602) 6.552 5.732 ( 0.885 11.545 6.527) 13.292 8.790 ( -1.950 7.276 0.364) 7.541 9.220 ( 10.934 18.723 1.960) 21.770 10.711 ( 6.058 -1.535 -4.680) 7.808 10.867 ( -3.614 -7.529 -14.075) 16.366 11.985 ( -5.885 -24.632 12.659) 28.313 15.019 ( -9.721 -2.791 -5.122) 11.337 ======================= Grid point 76 (56/489) ======================= q-point: ( 0.47 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.912 ( 5.888 4.044 0.279) 7.148 3.822 ( 11.116 14.384 1.455) 18.237 4.151 ( 4.288 17.009 -3.886) 17.967 4.743 ( 5.920 -1.427 -7.852) 9.937 5.250 ( -0.632 0.145 4.875) 4.918 5.859 ( -0.236 7.381 4.412) 8.602 8.873 ( 2.833 8.839 -0.500) 9.295 9.567 ( 7.380 16.179 3.152) 18.060 10.563 ( -4.668 -12.622 -12.659) 18.476 10.930 ( 4.040 9.906 -2.308) 10.944 11.699 ( -4.855 -19.266 9.611) 22.071 14.811 ( -7.525 -5.193 -4.154) 10.043 ======================= Grid point 77 (57/489) ======================= q-point: ( 0.53 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.032 ( 5.047 1.088 -1.123) 5.284 4.121 ( 6.102 14.892 0.085) 16.094 4.315 ( -1.696 13.993 -2.109) 14.252 4.817 ( 3.121 4.250 -7.327) 9.027 5.264 ( 2.547 -3.571 6.032) 7.458 5.889 ( -0.759 -1.348 3.291) 3.637 9.054 ( 7.646 8.714 -0.603) 11.608 9.793 ( 1.987 10.186 3.133) 10.841 10.329 ( -4.147 -10.699 -8.430) 14.238 11.012 ( -7.329 10.173 -0.160) 12.539 11.562 ( 1.950 -6.169 4.123) 7.672 14.648 ( -2.061 -8.205 -2.410) 8.796 ======================= Grid point 78 (58/489) ======================= q-point: ( 0.59 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( 2.606 -1.057 -2.160) 3.546 4.297 ( -3.696 15.300 -2.914) 16.008 4.402 ( -1.218 10.475 3.253) 11.036 4.862 ( -0.753 5.360 -5.625) 7.806 5.285 ( 0.072 -2.048 2.222) 3.023 5.856 ( 2.869 -9.160 3.812) 10.328 9.257 ( 6.383 4.235 -0.905) 7.713 9.837 ( -4.973 3.864 0.952) 6.370 10.213 ( 4.336 -7.247 -2.353) 8.767 10.944 ( -11.465 13.283 1.920) 17.652 11.589 ( -0.338 2.304 -1.034) 2.548 14.575 ( 4.452 -9.575 -0.375) 10.566 ======================= Grid point 79 (59/489) ======================= q-point: (-0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.086 ( -0.955 -1.904 -2.264) 3.108 4.288 ( -11.458 11.021 -2.419) 16.081 4.480 ( -4.144 10.587 5.080) 12.453 4.892 ( 1.169 3.951 -4.109) 5.819 5.202 ( -5.543 -4.869 -1.251) 7.483 5.852 ( 5.012 -8.565 3.644) 10.572 9.262 ( -5.851 -3.616 -0.656) 6.910 9.803 ( -2.938 3.090 -0.167) 4.267 10.308 ( 12.233 -2.291 0.938) 12.481 10.945 ( -6.579 17.184 2.574) 18.579 11.532 ( -6.755 -0.508 -3.698) 7.718 14.610 ( 9.132 -7.458 1.103) 11.842 ======================= Grid point 80 (60/489) ======================= q-point: (-0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.014 ( -4.653 -1.410 -1.361) 5.049 4.110 ( -17.027 4.669 -1.031) 17.686 4.469 ( -11.682 8.527 3.582) 14.900 4.955 ( 3.267 3.965 -4.477) 6.814 5.053 ( -1.654 -8.511 0.782) 8.705 5.845 ( -0.817 -3.587 1.736) 4.068 9.069 ( -10.259 -3.356 0.132) 10.795 9.724 ( -9.461 0.963 0.070) 9.510 10.583 ( 19.151 0.924 0.742) 19.188 11.056 ( -2.693 16.380 4.227) 17.129 11.349 ( -5.844 -8.012 -5.721) 11.448 14.735 ( 10.812 -3.289 1.288) 11.374 ======================= Grid point 81 (61/489) ======================= q-point: (-0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( -8.131 -0.000 0.000) 8.131 3.809 ( -20.061 -0.000 0.000) 20.061 4.248 ( -17.965 -0.000 0.000) 17.965 4.983 ( -2.786 -0.000 0.000) 2.786 5.079 ( 9.320 0.000 -0.000) 9.320 5.739 ( -10.267 -0.000 0.000) 10.267 8.883 ( -9.112 -0.000 0.000) 9.112 9.499 ( -16.869 -0.000 0.000) 16.869 10.897 ( 6.404 0.000 -0.000) 6.404 11.090 ( 5.590 0.000 -0.000) 5.590 11.328 ( 10.145 0.000 -0.000) 10.145 14.908 ( 10.459 0.000 -0.000) 10.459 ======================= Grid point 90 (62/489) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 0.000 12.304 4.185) 12.996 2.767 ( 0.000 16.893 2.658) 17.100 3.405 ( -0.000 4.655 -2.337) 5.209 4.552 ( -0.000 13.310 -11.311) 17.467 4.995 ( 0.000 27.750 4.588) 28.127 5.654 ( 0.000 1.987 3.649) 4.155 8.526 ( 0.000 16.780 0.192) 16.781 8.954 ( 0.000 3.438 2.338) 4.157 10.612 ( -0.000 -2.141 -0.117) 2.144 11.106 ( -0.000 -15.361 -24.387) 28.821 12.364 ( 0.000 -27.024 14.310) 30.579 15.368 ( -0.000 -0.046 -3.756) 3.757 ======================= Grid point 91 (63/489) ======================= q-point: ( 0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( 1.007 9.012 2.192) 9.329 3.014 ( 9.158 14.504 2.072) 17.278 3.510 ( 7.626 5.166 -2.290) 9.492 4.621 ( 0.386 6.983 -11.926) 13.825 5.233 ( 0.128 15.678 2.839) 15.933 5.733 ( -0.345 11.770 6.451) 13.427 8.751 ( 7.034 14.754 0.817) 16.366 8.991 ( -1.665 7.585 -0.074) 7.766 10.594 ( -0.174 -0.604 -0.609) 0.875 10.892 ( 1.616 -15.334 -19.434) 24.808 12.123 ( -2.086 -26.265 12.207) 29.038 15.313 ( -5.284 -0.065 -3.270) 6.214 ======================= Grid point 92 (64/489) ======================= q-point: ( 0.41 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( 2.766 5.979 0.739) 6.629 3.354 ( 13.847 11.782 1.458) 18.240 3.756 ( 14.174 7.683 -2.145) 16.265 4.633 ( 0.607 1.492 -10.424) 10.548 5.327 ( -2.336 6.389 2.971) 7.423 5.891 ( -0.864 15.698 5.993) 16.826 8.923 ( -2.809 9.125 0.216) 9.550 9.182 ( 12.491 14.678 -0.384) 19.277 10.575 ( 1.923 -7.027 -6.176) 9.551 10.769 ( 2.841 -4.688 -9.140) 10.658 11.856 ( -3.461 -24.421 9.938) 26.592 15.165 ( -10.083 -0.719 -3.268) 10.624 ======================= Grid point 93 (65/489) ======================= q-point: ( 0.47 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( 4.108 3.379 -0.254) 5.325 3.713 ( 14.965 9.496 0.908) 17.747 4.113 ( 15.777 11.701 -2.385) 19.786 4.622 ( 2.326 -1.673 -7.523) 8.050 5.320 ( -4.217 1.931 3.932) 6.080 6.008 ( -3.826 11.277 4.055) 12.580 8.960 ( -1.904 9.549 -1.020) 9.790 9.558 ( 12.202 13.036 1.819) 17.948 10.462 ( -1.177 -9.886 -9.688) 13.891 10.864 ( 9.565 3.868 -2.662) 10.655 11.598 ( -3.556 -19.968 7.971) 21.792 14.942 ( -12.492 -2.179 -3.160) 13.069 ======================= Grid point 94 (66/489) ======================= q-point: ( 0.53 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( 4.387 1.254 -0.935) 4.657 4.059 ( 14.217 8.927 0.296) 16.789 4.417 ( 3.588 10.216 -2.485) 11.109 4.704 ( 12.124 3.065 -5.712) 13.748 5.254 ( -4.124 -2.921 5.403) 7.398 5.995 ( -7.856 4.146 2.444) 9.213 9.060 ( 2.686 9.579 -0.555) 9.964 9.819 ( 5.903 6.254 2.754) 9.030 10.295 ( -5.408 -6.837 -7.407) 11.439 11.108 ( 10.053 8.668 -3.462) 13.718 11.421 ( 1.065 -12.927 6.871) 14.679 14.693 ( -11.038 -4.354 -2.531) 12.132 ======================= Grid point 95 (67/489) ======================= q-point: ( 0.59 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.030 ( 3.453 -0.171 -1.265) 3.682 4.373 ( 10.944 10.131 -0.955) 14.943 4.473 ( -0.801 3.330 0.121) 3.427 4.928 ( 0.111 9.260 -6.797) 11.487 5.223 ( 7.201 -3.636 6.229) 10.192 5.843 ( -10.042 -4.161 1.845) 11.025 9.219 ( 5.019 7.280 -0.114) 8.843 9.922 ( 0.997 1.656 2.783) 3.389 10.109 ( -4.405 -6.696 -4.900) 9.394 11.212 ( -5.794 8.743 0.428) 10.497 11.503 ( 11.351 -1.833 1.024) 11.543 14.491 ( -4.906 -5.850 -1.286) 7.742 ======================= Grid point 96 (68/489) ======================= q-point: (-0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( 1.369 -0.616 -0.987) 1.797 4.477 ( -1.803 3.566 -1.149) 4.158 4.625 ( 2.895 11.391 2.097) 11.939 4.843 ( -3.196 -6.119 -2.125) 7.223 5.384 ( -5.460 11.602 -1.704) 12.935 5.649 ( 3.342 -13.419 3.303) 14.217 9.314 ( -0.880 1.572 -0.210) 1.814 9.882 ( -5.064 1.195 0.004) 5.203 10.093 ( 9.047 -3.543 -0.321) 9.721 11.195 ( -5.801 8.136 1.665) 10.131 11.598 ( -0.761 -0.297 -1.569) 1.769 14.428 ( 4.024 -4.210 -0.058) 5.824 ======================= Grid point 97 (69/489) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( -1.501 -0.000 0.000) 1.501 4.397 ( -11.953 -0.000 0.000) 11.953 4.623 ( -3.907 -0.000 0.000) 3.907 4.891 ( 7.832 0.000 -0.000) 7.832 5.169 ( -16.509 -0.000 0.000) 16.509 5.759 ( 8.494 0.000 -0.000) 8.494 9.222 ( -8.688 -0.000 0.000) 8.688 9.829 ( -3.173 -0.000 0.000) 3.173 10.290 ( 15.046 0.000 -0.000) 15.046 11.178 ( -1.959 -0.000 0.000) 1.959 11.472 ( -11.301 -0.000 0.000) 11.301 14.534 ( 9.960 0.000 -0.000) 9.960 ======================= Grid point 108 (70/489) ======================= q-point: ( 0.35 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 0.000 6.282 0.238) 6.286 3.065 ( 0.000 11.676 1.762) 11.809 3.476 ( -0.000 4.030 -2.378) 4.680 4.628 ( -0.000 2.715 -11.950) 12.255 5.369 ( 0.000 9.485 3.180) 10.004 5.906 ( 0.000 17.281 6.577) 18.490 8.811 ( -0.000 11.711 -0.643) 11.728 9.090 ( -0.000 8.933 -1.766) 9.106 10.614 ( 0.000 2.145 0.712) 2.260 10.651 ( -0.000 -15.916 -15.337) 22.103 11.916 ( 0.000 -25.655 9.398) 27.323 15.356 ( -0.000 0.716 -2.104) 2.222 ======================= Grid point 109 (71/489) ======================= q-point: ( 0.41 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( 0.990 3.844 -0.869) 4.063 3.255 ( 9.086 8.779 1.119) 12.683 3.592 ( 9.684 4.486 -1.953) 10.850 4.604 ( 0.016 -0.182 -9.791) 9.792 5.438 ( -2.004 5.925 3.050) 6.959 6.090 ( -1.004 16.294 5.368) 17.185 8.990 ( 7.048 9.183 -0.158) 11.577 9.161 ( 0.786 9.398 -4.697) 10.536 10.459 ( -0.687 -10.811 -7.473) 13.161 10.676 ( 2.967 1.723 -1.082) 3.598 11.683 ( -1.174 -23.661 6.827) 24.654 15.304 ( -6.339 0.684 -1.734) 6.608 ======================= Grid point 110 (72/489) ======================= q-point: ( 0.47 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( 2.631 2.119 -1.128) 3.562 3.534 ( 14.114 5.989 0.506) 15.340 3.883 ( 18.208 5.942 -1.367) 19.202 4.571 ( 0.143 -1.282 -6.710) 6.833 5.437 ( -4.564 3.234 2.766) 6.240 6.206 ( -3.755 11.723 3.679) 12.848 9.091 ( -2.809 8.082 -2.697) 8.971 9.409 ( 16.442 7.950 -1.719) 18.344 10.364 ( 0.875 -5.106 -4.036) 6.567 10.739 ( 4.163 -0.812 -0.699) 4.299 11.472 ( -0.827 -17.633 4.666) 18.259 15.143 ( -11.961 -0.037 -1.708) 12.083 ======================= Grid point 111 (73/489) ======================= q-point: ( 0.53 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( 3.631 0.894 -0.954) 3.859 3.852 ( 16.503 4.362 0.178) 17.071 4.296 ( 21.136 7.295 -0.942) 22.379 4.549 ( 1.669 -1.698 -4.088) 4.731 5.363 ( -7.158 0.425 2.596) 7.626 6.203 ( -8.227 6.148 2.052) 10.474 9.125 ( -0.429 7.173 -1.952) 7.447 9.721 ( 11.446 2.606 0.283) 11.742 10.335 ( -3.410 1.991 -3.061) 4.996 10.843 ( 15.135 -6.255 -0.525) 16.385 11.357 ( 0.029 -6.679 3.055) 7.344 14.894 ( -15.096 -1.151 -1.528) 15.217 ======================= Grid point 112 (74/489) ======================= q-point: ( 0.59 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( 3.693 0.136 -0.596) 3.743 4.179 ( 16.903 3.079 -0.021) 17.181 4.503 ( -0.333 1.206 -0.723) 1.445 4.785 ( 23.205 5.089 -2.742) 23.915 5.217 ( -9.427 -2.670 2.797) 10.190 6.058 ( -13.247 1.274 0.832) 13.334 9.209 ( 3.343 4.724 -0.459) 5.806 9.855 ( 5.173 -1.365 0.612) 5.385 10.213 ( -10.207 -0.057 -1.754) 10.356 11.157 ( 23.160 -1.326 -1.298) 23.234 11.335 ( -0.811 0.204 2.289) 2.437 14.619 ( -13.801 -1.738 -0.879) 13.938 ======================= Grid point 113 (75/489) ======================= q-point: (-0.35 -0.65 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.022 ( 2.926 0.000 -0.000) 2.926 4.478 ( 15.470 0.000 -0.000) 15.470 4.499 ( -0.377 -0.000 0.000) 0.377 5.002 ( -12.799 -0.000 0.000) 12.799 5.216 ( 21.871 0.000 -0.000) 21.871 5.795 ( -17.253 -0.000 0.000) 17.253 9.300 ( 3.561 0.000 -0.000) 3.561 9.938 ( 6.125 0.000 -0.000) 6.125 10.024 ( -9.999 -0.000 0.000) 9.999 11.311 ( -3.238 -0.000 0.000) 3.238 11.488 ( 13.697 0.000 -0.000) 13.697 14.424 ( -6.305 -0.000 0.000) 6.305 ======================= Grid point 127 (76/489) ======================= q-point: ( 0.41 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( -0.000 1.838 -1.946) 2.676 3.251 ( 0.000 6.239 0.905) 6.304 3.536 ( -0.000 3.263 -1.676) 3.668 4.568 ( -0.000 -1.209 -7.597) 7.692 5.519 ( 0.000 4.657 2.416) 5.246 6.265 ( 0.000 13.548 4.223) 14.191 8.978 ( -0.000 5.849 -1.042) 5.941 9.230 ( -0.000 6.774 -7.276) 9.941 10.353 ( -0.000 -6.973 -2.907) 7.554 10.689 ( 0.000 4.072 1.058) 4.207 11.480 ( 0.000 -21.925 4.173) 22.319 15.366 ( -0.000 1.082 -0.947) 1.438 ======================= Grid point 128 (77/489) ======================= q-point: ( 0.47 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( 1.409 0.800 -1.682) 2.335 3.381 ( 8.711 3.704 0.378) 9.473 3.659 ( 11.259 2.953 -1.002) 11.682 4.537 ( 0.173 -1.200 -4.805) 4.956 5.540 ( -2.748 2.863 1.684) 4.311 6.373 ( -2.076 9.047 2.751) 9.681 9.124 ( 9.154 4.783 -0.302) 10.333 9.251 ( 1.580 3.202 -7.185) 8.023 10.316 ( 0.743 -0.633 0.768) 1.242 10.718 ( -1.228 0.759 0.479) 1.521 11.307 ( 1.698 -15.663 2.169) 15.903 15.312 ( -7.101 0.722 -0.701) 7.172 ======================= Grid point 129 (78/489) ======================= q-point: ( 0.53 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( 2.835 0.335 -0.792) 2.962 3.611 ( 14.372 1.771 0.082) 14.481 3.961 ( 20.416 2.255 -0.420) 20.545 4.521 ( 0.191 -0.677 -2.173) 2.284 5.491 ( -5.690 1.044 0.985) 5.868 6.381 ( -5.477 4.112 1.254) 6.963 9.191 ( -1.852 3.314 -2.248) 4.412 9.475 ( 18.161 0.825 -1.018) 18.209 10.386 ( 4.140 6.808 0.705) 7.999 10.634 ( -2.851 -8.914 -0.107) 9.360 11.268 ( 4.286 -4.609 0.932) 6.363 15.137 ( -13.140 0.092 -0.524) 13.151 ======================= Grid point 130 (79/489) ======================= q-point: (-0.41 -0.59 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( 3.543 0.000 -0.000) 3.543 3.895 ( 17.156 0.000 -0.000) 17.156 4.371 ( 25.053 0.000 -0.000) 25.053 4.514 ( -0.188 -0.000 0.000) 0.188 5.374 ( -8.512 -0.000 0.000) 8.512 6.271 ( -9.829 -0.000 0.000) 9.829 9.194 ( 0.792 0.000 -0.000) 0.792 9.729 ( 10.101 0.000 -0.000) 10.101 10.400 ( -10.562 -0.000 0.000) 10.562 10.720 ( 22.497 0.000 -0.000) 22.497 11.320 ( 2.899 0.000 -0.000) 2.899 14.878 ( -16.181 -0.000 0.000) 16.181 ======================= Grid point 146 (80/489) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( -0.000 0.130 -1.181) 1.188 3.332 ( 0.000 1.784 0.212) 1.797 3.577 ( -0.000 1.389 -0.544) 1.492 4.514 ( -0.000 -0.719 -2.421) 2.526 5.590 ( 0.000 1.522 0.797) 1.718 6.467 ( 0.000 4.735 1.419) 4.943 9.044 ( -0.000 1.639 -0.493) 1.711 9.261 ( -0.000 1.266 -4.696) 4.863 10.322 ( 0.000 1.491 1.790) 2.329 10.760 ( 0.000 1.963 0.489) 2.023 11.151 ( 0.000 -10.636 0.623) 10.654 15.380 ( -0.000 0.517 -0.253) 0.576 ======================= Grid point 147 (81/489) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( 1.645 0.000 -0.000) 1.645 3.417 ( 8.600 0.000 -0.000) 8.600 3.687 ( 11.779 0.000 -0.000) 11.779 4.509 ( 0.263 0.000 -0.000) 0.263 5.574 ( -2.968 -0.000 0.000) 2.968 6.472 ( -2.444 -0.000 0.000) 2.444 9.178 ( 13.981 0.000 -0.000) 13.981 9.240 ( -1.979 -0.000 0.000) 1.979 10.351 ( 2.255 0.000 -0.000) 2.255 10.706 ( -6.547 -0.000 0.000) 6.547 11.152 ( 5.319 0.000 -0.000) 5.319 15.318 ( -7.382 -0.000 0.000) 7.382 ======================= Grid point 313 (82/489) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.235 ( 0.000 -0.000 24.530) 24.530 0.235 ( 0.000 -0.000 24.530) 24.530 0.470 ( 0.000 -0.000 49.223) 49.223 3.064 ( -0.000 0.000 -1.010) 1.010 3.064 ( -0.000 0.000 -1.010) 1.010 6.972 ( -0.000 0.000 -4.508) 4.508 7.362 ( 0.000 -0.000 0.414) 0.414 7.362 ( 0.000 -0.000 0.414) 0.414 11.081 ( -0.000 0.000 -0.314) 0.314 11.081 ( -0.000 0.000 -0.314) 0.314 14.393 ( 0.000 -0.000 0.931) 0.931 14.741 ( -0.000 0.000 -0.368) 0.368 ======================= Grid point 314 (83/489) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 23.982 13.846 8.951) 29.103 0.698 ( 15.913 9.188 24.787) 30.855 1.248 ( 44.428 25.650 16.086) 53.763 3.076 ( 1.570 0.906 -1.701) 2.485 3.191 ( 10.522 6.075 -0.704) 12.170 6.061 ( -6.938 -4.006 6.244) 10.158 7.422 ( 4.832 2.790 0.898) 5.652 9.767 ( 18.376 10.610 -42.724) 47.703 11.041 ( 10.518 6.072 -24.238) 27.111 11.046 ( -2.873 -1.659 -0.416) 3.343 14.247 ( -12.422 -7.172 3.911) 14.868 15.246 ( 15.214 8.784 -22.089) 28.223 ======================= Grid point 315 (84/489) ======================= q-point: ( 0.18 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 18.238 10.530 15.935) 26.409 1.255 ( 24.694 14.257 4.844) 28.922 2.321 ( 44.780 25.854 8.755) 52.444 3.123 ( 3.040 1.755 -2.274) 4.183 3.517 ( 17.340 10.011 0.074) 20.023 5.958 ( -4.160 -2.402 -1.160) 4.942 7.587 ( 9.225 5.326 1.126) 10.711 9.566 ( -17.875 -10.320 -0.388) 20.644 10.954 ( -4.905 -2.832 -0.446) 5.681 11.320 ( 17.022 9.828 -31.808) 37.391 13.906 ( -18.315 -10.574 9.659) 23.250 15.378 ( 2.740 1.582 -12.886) 13.269 ======================= Grid point 316 (85/489) ======================= q-point: ( 0.24 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 19.247 11.112 9.203) 24.054 1.818 ( 23.027 13.295 3.384) 26.804 3.197 ( 4.009 2.314 -2.685) 5.351 3.329 ( 40.882 23.603 5.009) 47.471 3.953 ( 19.928 11.505 0.844) 23.026 5.845 ( -5.243 -3.027 -3.033) 6.772 7.845 ( 12.868 7.429 0.996) 14.892 9.150 ( -16.930 -9.774 1.277) 19.590 10.830 ( -5.506 -3.179 -0.345) 6.367 11.535 ( 9.024 5.210 -25.675) 27.709 13.495 ( -20.813 -12.016 16.228) 28.998 15.325 ( -3.208 -1.852 -12.490) 13.028 ======================= Grid point 317 (86/489) ======================= q-point: ( 0.29 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 18.967 10.951 4.801) 22.421 2.323 ( 20.069 11.587 2.700) 23.330 3.285 ( 4.347 2.510 -2.926) 5.810 4.202 ( 33.702 19.458 1.992) 38.967 4.410 ( 19.357 11.176 0.321) 22.354 5.701 ( -6.355 -3.669 -2.005) 7.607 8.170 ( 14.857 8.578 0.535) 17.164 8.843 ( -9.251 -5.341 -1.119) 10.740 10.712 ( -4.457 -2.574 -0.074) 5.148 11.554 ( -0.855 -0.494 -21.900) 21.922 13.059 ( -22.569 -13.030 20.835) 33.365 15.186 ( -4.515 -2.607 -12.823) 13.842 ======================= Grid point 318 (87/489) ======================= q-point: ( 0.35 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 17.134 9.892 2.248) 19.912 2.748 ( 16.273 9.395 2.352) 18.937 3.373 ( 4.019 2.321 -3.011) 5.532 4.794 ( 15.606 9.010 3.127) 18.289 4.878 ( 22.402 12.934 -8.621) 27.266 5.572 ( -3.631 -2.096 4.525) 6.168 8.510 ( 14.290 8.251 -0.120) 16.502 8.737 ( 0.801 0.463 -3.399) 3.523 10.636 ( -2.074 -1.197 0.349) 2.420 11.374 ( -8.476 -4.894 -18.582) 21.002 12.573 ( -25.963 -14.990 19.782) 35.918 15.074 ( -1.523 -0.879 -10.220) 10.370 ======================= Grid point 319 (88/489) ======================= q-point: ( 0.41 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( 13.799 7.967 0.704) 15.949 3.081 ( 12.101 6.987 2.183) 14.143 3.446 ( 3.038 1.754 -2.966) 4.593 5.002 ( 1.379 0.796 -10.120) 10.245 5.203 ( 10.497 6.061 -1.723) 12.243 5.679 ( 10.209 5.894 10.467) 15.765 8.804 ( 11.141 6.432 -0.722) 12.885 8.855 ( 10.366 5.985 -4.935) 12.947 10.621 ( 0.569 0.329 0.782) 1.021 11.086 ( -11.411 -6.588 -13.930) 19.175 11.992 ( -28.979 -16.731 14.238) 36.366 15.057 ( 1.934 1.116 -5.586) 6.015 ======================= Grid point 320 (89/489) ======================= q-point: ( 0.47 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.143 ( 9.142 5.278 -0.826) 10.589 3.317 ( 7.948 4.589 2.095) 9.413 3.489 ( 1.423 0.821 -2.793) 3.240 4.905 ( -4.315 -2.492 -8.638) 9.972 5.413 ( 7.323 4.228 0.875) 8.501 5.948 ( 8.955 5.170 6.877) 12.419 9.006 ( 6.713 3.875 -0.976) 7.812 9.163 ( 17.549 10.132 -5.850) 21.091 10.655 ( 1.781 1.028 0.971) 2.274 10.777 ( -13.077 -7.550 -7.281) 16.764 11.386 ( -25.038 -14.456 7.834) 29.954 15.106 ( 2.868 1.656 -1.714) 3.728 ======================= Grid point 321 (90/489) ======================= q-point: ( 0.53 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.280 ( 3.092 1.785 -2.866) 4.579 3.458 ( 3.386 1.955 1.299) 4.119 3.491 ( -0.104 -0.060 -1.768) 1.772 4.818 ( -0.763 -0.441 -3.959) 4.056 5.527 ( 2.336 1.349 -0.474) 2.739 6.100 ( 2.476 1.429 4.992) 5.753 9.107 ( 2.375 1.371 -0.765) 2.848 9.584 ( 18.828 10.870 -6.277) 22.628 10.403 ( -17.438 -10.068 1.146) 20.168 10.691 ( 0.744 0.429 0.784) 1.163 11.010 ( -7.824 -4.517 1.620) 9.179 15.159 ( 1.559 0.900 0.753) 1.951 ======================= Grid point 322 (91/489) ======================= q-point: (-0.41 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.263 ( -3.432 -1.982 -4.501) 5.997 3.421 ( -3.984 -2.300 -2.114) 5.062 3.531 ( 1.062 0.613 1.964) 2.315 4.860 ( 4.954 2.860 0.115) 5.721 5.513 ( -3.213 -1.855 -1.813) 4.129 6.086 ( -4.937 -2.850 3.712) 6.803 9.112 ( -1.803 -1.041 -0.244) 2.096 9.662 ( -14.790 -8.539 1.528) 17.146 10.357 ( 18.074 10.435 -3.487) 21.159 10.686 ( -1.290 -0.745 0.313) 1.522 11.001 ( 5.655 3.265 0.805) 6.579 15.178 ( -0.279 -0.161 2.673) 2.692 ======================= Grid point 323 (92/489) ======================= q-point: (-0.35 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.105 ( -8.817 -5.090 -4.520) 11.139 3.281 ( -7.831 -4.521 -1.667) 9.195 3.534 ( -1.231 -0.711 1.889) 2.365 5.029 ( 8.716 5.032 3.178) 10.555 5.373 ( -8.113 -4.684 -3.162) 9.887 5.896 ( -12.489 -7.210 2.296) 14.602 9.019 ( -6.439 -3.718 0.291) 7.441 9.269 ( -17.191 -9.925 4.947) 20.458 10.644 ( -2.086 -1.204 -0.216) 2.419 10.859 ( 22.775 13.149 -1.023) 26.318 11.247 ( 15.891 9.175 -4.291) 18.844 15.173 ( -0.844 -0.487 4.933) 5.029 ======================= Grid point 324 (93/489) ======================= q-point: (-0.29 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( -13.263 -7.657 -3.196) 15.644 3.049 ( -12.057 -6.961 -1.133) 13.968 3.492 ( -2.876 -1.660 1.766) 3.761 5.102 ( -12.148 -7.014 1.441) 14.102 5.282 ( 9.249 5.340 0.716) 10.704 5.529 ( -19.759 -11.408 -0.642) 22.824 8.816 ( -11.320 -6.535 0.516) 13.081 8.956 ( -11.073 -6.393 5.345) 13.858 10.608 ( -0.515 -0.297 -0.536) 0.800 11.340 ( 17.467 10.085 11.757) 23.346 11.666 ( 22.814 13.172 -18.761) 32.342 15.188 ( 0.768 0.443 7.449) 7.502 ======================= Grid point 325 (94/489) ======================= q-point: (-0.24 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( -17.204 -9.933 -1.323) 19.910 2.721 ( -16.337 -9.432 -0.511) 18.871 3.418 ( -3.910 -2.257 1.607) 4.792 4.754 ( -17.926 -10.350 -0.668) 20.710 4.978 ( -27.329 -15.778 0.509) 31.561 5.522 ( 9.915 5.725 0.229) 11.452 8.514 ( -14.771 -8.528 0.313) 17.059 8.813 ( -2.446 -1.412 4.288) 5.135 10.627 ( 2.355 1.360 -0.536) 2.772 11.709 ( 10.177 5.876 15.338) 19.322 12.152 ( 25.487 14.715 -22.864) 37.267 15.263 ( 3.420 1.975 8.687) 9.542 ======================= Grid point 326 (95/489) ======================= q-point: (-0.18 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( -20.345 -11.746 0.545) 23.499 2.300 ( -20.284 -11.711 0.299) 23.424 3.327 ( -4.331 -2.500 1.355) 5.181 4.169 ( -34.832 -20.110 -0.057) 40.220 4.398 ( -20.804 -12.011 -2.067) 24.111 5.726 ( 7.629 4.405 0.595) 8.829 8.163 ( -15.354 -8.865 -0.108) 17.730 8.877 ( 7.044 4.067 2.266) 8.444 10.709 ( 4.755 2.745 -0.365) 5.502 11.883 ( 1.730 0.999 8.927) 9.147 12.690 ( 26.401 15.243 -14.210) 33.635 15.383 ( 4.369 2.522 7.093) 8.704 ======================= Grid point 327 (96/489) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -22.268 -12.857 2.596) 25.844 1.799 ( -23.500 -13.568 1.459) 27.174 3.233 ( -4.111 -2.374 0.957) 4.843 3.265 ( -42.829 -24.727 -0.912) 49.463 3.933 ( -19.580 -11.304 -1.617) 22.666 5.872 ( 5.065 2.924 -0.103) 5.849 7.831 ( -13.163 -7.599 -0.431) 15.205 9.138 ( 15.070 8.701 -0.005) 17.402 10.831 ( 5.710 3.296 -0.209) 6.596 11.856 ( -5.708 -3.295 4.450) 7.952 13.255 ( 25.303 14.609 -6.142) 29.856 15.481 ( 2.277 1.315 3.023) 4.006 ======================= Grid point 328 (97/489) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -22.743 -13.131 6.677) 27.097 1.241 ( -25.662 -14.816 3.369) 29.823 2.230 ( -46.913 -27.085 -0.065) 54.170 3.150 ( -3.262 -1.883 0.402) 3.788 3.506 ( -16.784 -9.690 -1.267) 19.422 5.962 ( 3.000 1.732 -0.471) 3.497 7.571 ( -9.221 -5.324 -0.443) 10.657 9.542 ( 19.820 11.443 -2.768) 23.052 10.957 ( 4.998 2.886 -0.155) 5.774 11.655 ( -12.301 -7.102 -1.346) 14.267 13.791 ( 21.881 12.633 -0.664) 25.275 15.491 ( -1.595 -0.921 -2.867) 3.408 ======================= Grid point 331 (98/489) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 0.000 26.564 13.413) 29.758 0.809 ( 0.000 20.392 24.426) 31.819 1.256 ( 0.000 46.777 19.066) 50.513 3.083 ( -0.000 2.338 -1.312) 2.681 3.173 ( -0.000 11.451 -1.876) 11.604 6.077 ( 0.000 -10.837 6.259) 12.514 7.413 ( 0.000 5.138 0.331) 5.149 9.561 ( -0.000 32.428 -47.257) 57.313 11.045 ( -0.000 -3.339 -0.495) 3.375 11.077 ( -0.000 14.401 -19.405) 24.164 14.247 ( 0.000 -15.435 3.884) 15.916 15.161 ( -0.000 19.018 -20.696) 28.107 ======================= Grid point 332 (99/489) ======================= q-point: ( 0.18 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 7.926 19.306 19.699) 28.699 1.182 ( 10.730 24.747 10.592) 28.978 2.048 ( 27.441 42.502 10.961) 51.765 3.114 ( 0.995 3.822 -1.962) 4.410 3.394 ( 10.148 14.579 -1.179) 17.802 5.979 ( -2.592 -5.143 -0.580) 5.789 7.528 ( 5.431 7.692 0.801) 9.451 9.606 ( -1.973 -11.707 -8.105) 14.375 10.952 ( -3.217 -3.835 -3.373) 6.036 11.218 ( 3.865 21.034 -28.319) 35.487 14.013 ( -8.121 -19.115 7.756) 22.170 15.306 ( 4.342 7.270 -15.074) 17.290 ======================= Grid point 333 (100/489) ======================= q-point: ( 0.24 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 11.821 16.649 14.809) 25.224 1.681 ( 15.580 23.030 5.493) 28.343 2.992 ( 32.841 35.220 6.171) 48.549 3.180 ( 2.070 5.412 -2.527) 6.321 3.770 ( 15.948 14.857 0.138) 21.797 5.874 ( -3.598 -4.347 -3.377) 6.576 7.749 ( 9.247 10.461 1.163) 14.010 9.301 ( -12.982 -15.268 1.601) 20.105 10.848 ( -2.556 -5.658 -1.695) 6.436 11.399 ( 5.974 13.516 -27.905) 31.576 13.671 ( -12.437 -19.946 13.500) 27.107 15.324 ( -1.715 1.247 -13.066) 13.237 ======================= Grid point 334 (101/489) ======================= q-point: ( 0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 14.047 15.008 8.505) 22.246 2.185 ( 15.806 20.373 4.123) 26.112 3.269 ( 2.293 6.727 -2.953) 7.696 3.878 ( 31.182 28.273 1.917) 42.135 4.208 ( 17.826 12.945 1.406) 22.075 5.747 ( -4.705 -4.503 -3.302) 7.302 8.052 ( 11.729 12.790 1.167) 17.393 8.955 ( -11.692 -9.555 0.431) 15.106 10.746 ( -2.982 -4.129 -0.663) 5.136 11.472 ( 1.963 2.854 -23.998) 24.246 13.287 ( -15.215 -19.823 18.553) 31.124 15.213 ( -5.498 -1.087 -13.172) 14.314 ======================= Grid point 335 (102/489) ======================= q-point: ( 0.35 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 14.751 12.421 4.213) 19.739 2.643 ( 13.518 18.378 3.267) 23.047 3.367 ( 1.759 7.700 -3.205) 8.524 4.602 ( 23.962 17.816 -7.132) 30.699 4.627 ( 16.854 11.989 5.163) 21.318 5.619 ( -3.991 -3.563 0.772) 5.406 8.395 ( 11.945 13.677 0.905) 18.181 8.750 ( -4.170 -2.455 -2.006) 5.238 10.669 ( -2.554 -1.207 -0.049) 2.825 11.368 ( -4.182 -4.968 -20.543) 21.545 12.859 ( -19.342 -19.777 19.420) 33.799 15.071 ( -3.902 -1.259 -11.510) 12.218 ======================= Grid point 336 (103/489) ======================= q-point: ( 0.41 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 13.773 8.985 1.611) 16.523 3.028 ( 9.686 16.850 2.523) 19.598 3.457 ( 0.589 8.159 -3.306) 8.823 4.907 ( 8.502 3.196 -8.215) 12.247 5.070 ( 12.780 9.997 -2.395) 16.401 5.621 ( 5.295 2.821 9.257) 11.032 8.697 ( 8.836 7.115 -0.475) 11.354 8.782 ( 6.046 10.023 -3.042) 12.094 10.637 ( -1.276 1.242 0.484) 1.845 11.130 ( -7.921 -8.343 -16.394) 20.027 12.338 ( -25.123 -19.043 15.118) 34.962 15.005 ( 1.062 -1.085 -7.102) 7.263 ======================= Grid point 337 (104/489) ======================= q-point: ( 0.47 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.009 ( 11.161 5.299 -0.358) 12.360 3.321 ( 5.001 15.116 1.897) 16.035 3.524 ( -1.107 8.177 -3.192) 8.848 4.908 ( -2.086 -2.241 -10.881) 11.303 5.317 ( 8.835 4.489 1.507) 10.024 5.857 ( 10.262 5.305 8.602) 14.403 8.929 ( 13.063 6.620 -2.763) 14.903 9.019 ( 5.888 13.622 -2.579) 15.063 10.641 ( -0.106 0.347 0.648) 0.743 10.859 ( -8.797 -7.898 -10.598) 15.877 11.743 ( -27.527 -14.517 9.268) 32.471 15.029 ( 4.624 -1.848 -2.608) 5.622 ======================= Grid point 338 (105/489) ======================= q-point: ( 0.53 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.194 ( 6.708 1.463 -2.725) 7.387 3.510 ( 0.282 12.745 1.580) 12.846 3.558 ( -3.197 8.022 -2.754) 9.064 4.816 ( -1.809 -1.274 -6.705) 7.061 5.469 ( 5.206 0.729 0.448) 5.276 6.062 ( 5.953 1.822 6.720) 9.161 9.156 ( 0.544 11.696 -0.354) 11.714 9.311 ( 18.910 8.027 -6.360) 21.505 10.580 ( -12.362 -8.202 -3.530) 15.249 10.629 ( 0.147 -5.192 1.634) 5.445 11.258 ( -19.093 -0.982 3.408) 19.420 15.089 ( 5.147 -3.286 0.367) 6.117 ======================= Grid point 339 (106/489) ======================= q-point: (-0.41 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( 0.641 -2.584 -5.033) 5.693 3.546 ( -6.622 8.062 -2.416) 10.709 3.605 ( -2.841 9.776 1.860) 10.349 4.809 ( 2.973 1.598 -2.774) 4.369 5.507 ( 0.495 -2.869 -1.079) 3.105 6.127 ( -0.710 -2.218 5.677) 6.135 9.216 ( -5.310 9.400 -0.653) 10.816 9.643 ( 10.286 -2.435 -4.663) 11.553 10.288 ( -6.181 -0.268 1.046) 6.274 10.617 ( 4.241 -5.361 0.980) 6.906 11.103 ( -6.917 9.703 0.294) 11.920 15.132 ( 3.827 -4.521 2.299) 6.354 ======================= Grid point 340 (107/489) ======================= q-point: (-0.35 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.143 ( -4.795 -5.561 -5.473) 9.158 3.461 ( -11.014 6.326 -2.183) 12.888 3.628 ( -5.136 7.738 2.027) 9.506 4.929 ( 8.085 3.858 -0.470) 8.971 5.423 ( -4.564 -5.854 -2.020) 7.693 6.026 ( -8.351 -5.785 4.774) 11.225 9.156 ( -9.236 3.860 -0.367) 10.017 9.459 ( -14.391 -10.763 3.171) 18.248 10.516 ( 16.873 5.784 -4.777) 18.465 10.684 ( 7.405 4.006 1.363) 8.529 11.174 ( 3.423 10.982 -0.977) 11.545 15.149 ( 2.575 -4.630 4.101) 6.700 ======================= Grid point 341 (108/489) ======================= q-point: (-0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( -9.300 -7.129 -4.275) 12.473 3.275 ( -15.594 3.406 -1.467) 16.029 3.598 ( -6.723 5.792 1.760) 9.047 5.141 ( 10.828 4.639 0.830) 11.809 5.227 ( -9.157 -7.703 -3.118) 12.366 5.754 ( -16.553 -8.787 3.990) 19.161 8.973 ( -11.733 -3.627 0.808) 12.307 9.137 ( -14.782 -4.413 4.301) 16.015 10.616 ( 0.010 0.285 -0.814) 0.863 11.104 ( 23.499 11.098 1.130) 26.013 11.421 ( 13.465 10.206 -7.517) 18.492 15.169 ( 2.788 -3.105 6.006) 7.314 ======================= Grid point 342 (109/489) ======================= q-point: (-0.24 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( -13.948 -7.713 -2.224) 16.093 2.985 ( -19.621 -0.144 -0.548) 19.629 3.528 ( -7.519 3.901 1.385) 8.583 4.935 ( -14.100 -8.802 -1.368) 16.678 5.292 ( -21.150 -9.145 -5.102) 23.600 5.398 ( 7.471 2.220 6.958) 10.447 8.713 ( -14.369 -4.500 0.840) 15.080 8.897 ( -9.322 -2.671 4.145) 10.546 10.618 ( 0.024 1.804 -0.779) 1.965 11.593 ( 16.693 6.311 15.543) 23.666 11.772 ( 23.009 10.663 -23.322) 34.454 15.232 ( 4.329 -0.590 7.030) 8.277 ======================= Grid point 343 (110/489) ======================= q-point: (-0.18 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -18.829 -7.699 0.198) 20.343 2.600 ( -22.881 -3.240 0.375) 23.112 3.431 ( -7.568 2.159 0.980) 7.931 4.549 ( -22.368 -9.479 0.366) 24.296 4.684 ( -30.008 -12.557 -2.077) 32.595 5.616 ( 9.799 3.243 0.844) 10.356 8.386 ( -17.991 -4.670 0.311) 18.589 8.830 ( 1.586 0.403 3.035) 3.448 10.659 ( 2.920 1.937 -0.681) 3.569 11.844 ( 6.557 1.214 3.900) 7.725 12.297 ( 29.210 11.148 -10.738) 33.058 15.342 ( 5.309 1.133 5.724) 7.889 ======================= Grid point 344 (111/489) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -22.891 -7.352 2.826) 24.208 2.144 ( -25.719 -4.754 1.433) 26.194 3.322 ( -6.909 0.709 0.483) 6.962 3.828 ( -43.152 -13.162 0.683) 45.120 4.182 ( -20.506 -7.811 -2.013) 22.036 5.790 ( 7.273 2.002 -0.323) 7.550 8.034 ( -17.200 -4.190 0.048) 17.703 8.971 ( 11.249 3.687 1.245) 11.903 10.748 ( 5.587 1.173 -0.483) 5.729 11.896 ( -0.537 -1.462 -2.439) 2.894 12.886 ( 29.164 9.672 -2.165) 30.802 15.450 ( 3.975 0.950 1.933) 4.521 ======================= Grid point 345 (112/489) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -24.922 -6.188 6.518) 26.493 1.639 ( -28.371 -4.296 2.821) 28.833 2.906 ( -50.150 -9.830 1.580) 51.128 3.216 ( -5.607 -0.282 -0.142) 5.616 3.759 ( -20.611 -4.397 -1.203) 21.109 5.906 ( 4.877 0.955 -1.013) 5.072 7.731 ( -13.848 -2.289 0.045) 14.036 9.278 ( 18.765 4.619 -0.207) 19.326 10.861 ( 6.692 0.180 -0.417) 6.707 11.779 ( -8.600 -3.280 -8.193) 12.322 13.459 ( 27.262 6.877 2.878) 28.263 15.492 ( 0.427 -0.225 -3.360) 3.395 ======================= Grid point 349 (113/489) ======================= q-point: ( 0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 0.000 19.692 21.266) 28.983 1.367 ( 0.000 26.619 9.116) 28.137 2.324 ( 0.000 50.372 9.486) 51.258 3.137 ( -0.000 4.004 -1.737) 4.365 3.472 ( -0.000 19.139 -2.047) 19.248 5.941 ( -0.000 -5.718 -2.058) 6.077 7.571 ( 0.000 10.608 0.470) 10.619 9.470 ( -0.000 -13.184 -4.442) 13.913 10.948 ( -0.000 -5.836 -0.672) 5.874 11.305 ( -0.000 19.897 -29.672) 35.726 13.883 ( 0.000 -24.168 8.750) 25.703 15.305 ( -0.000 8.156 -13.871) 16.091 ======================= Grid point 350 (114/489) ======================= q-point: ( 0.24 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 3.865 19.436 17.160) 26.213 1.738 ( 8.806 24.931 7.135) 27.386 2.987 ( 16.001 45.270 5.980) 48.386 3.194 ( 2.081 5.476 -2.106) 6.225 3.732 ( 7.683 19.559 -1.105) 21.043 5.861 ( -1.764 -5.266 -3.766) 6.710 7.741 ( 5.541 13.155 0.923) 14.304 9.288 ( -4.224 -16.276 1.555) 16.887 10.841 ( -3.796 -5.477 -1.906) 6.931 11.396 ( 1.331 13.199 -27.899) 30.893 13.625 ( -4.580 -25.618 12.366) 28.812 15.329 ( -0.661 3.903 -12.479) 13.092 ======================= Grid point 351 (115/489) ======================= q-point: ( 0.29 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 7.304 17.368 11.713) 22.185 2.185 ( 12.320 23.553 5.483) 27.141 3.294 ( 2.935 7.619 -2.592) 8.567 3.742 ( 21.572 36.400 0.863) 42.321 4.092 ( 12.507 17.083 1.490) 21.224 5.755 ( -3.082 -5.038 -3.809) 7.028 8.019 ( 9.292 15.725 1.620) 18.336 9.030 ( -8.716 -12.079 1.762) 14.999 10.734 ( -1.831 -4.480 -1.832) 5.175 11.414 ( 0.101 3.842 -24.813) 25.109 13.310 ( -7.708 -25.437 16.311) 31.185 15.263 ( -4.946 0.721 -12.181) 13.167 ======================= Grid point 352 (116/489) ======================= q-point: ( 0.35 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 9.655 14.337 6.703) 18.539 2.644 ( 12.293 22.356 4.539) 25.913 3.420 ( 2.253 10.089 -3.126) 10.800 4.384 ( 19.053 18.885 -7.685) 27.905 4.516 ( 15.545 19.854 6.332) 25.998 5.643 ( -3.210 -3.953 -0.918) 5.174 8.365 ( 10.457 17.262 2.275) 20.310 8.807 ( -6.557 -4.510 -0.550) 7.978 10.681 ( -0.393 -1.603 -1.018) 1.939 11.311 ( -2.951 -4.703 -21.781) 22.477 12.956 ( -11.059 -24.790 17.986) 32.563 15.118 ( -6.678 -0.687 -11.431) 13.256 ======================= Grid point 353 (117/489) ======================= q-point: ( 0.41 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 10.648 10.617 3.223) 15.378 3.067 ( 9.891 21.304 3.583) 23.760 3.545 ( 0.539 12.209 -3.630) 12.748 4.737 ( 12.460 5.311 -7.770) 15.615 4.971 ( 12.070 15.003 0.010) 19.255 5.605 ( 1.634 0.902 5.949) 6.235 8.649 ( 3.877 5.437 0.990) 6.751 8.805 ( 5.534 14.740 -1.124) 15.785 10.678 ( -0.471 2.404 -0.345) 2.474 11.097 ( -5.445 -9.719 -18.295) 21.420 12.538 ( -16.376 -23.186 15.497) 32.341 14.981 ( -3.381 -1.792 -8.521) 9.340 ======================= Grid point 354 (118/489) ======================= q-point: ( 0.47 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( 10.005 6.683 0.630) 12.048 3.418 ( 5.771 19.897 2.713) 20.894 3.653 ( -1.746 13.805 -3.848) 14.438 4.854 ( 2.616 -1.003 -11.054) 11.404 5.226 ( 7.597 5.505 2.012) 9.595 5.768 ( 8.736 5.137 8.323) 13.115 8.778 ( 8.720 4.850 -2.050) 10.186 9.100 ( 5.231 19.592 0.274) 20.280 10.682 ( -3.191 2.028 -1.316) 4.003 10.856 ( -4.489 -8.436 -12.084) 15.406 12.041 ( -21.263 -18.164 10.193) 29.765 14.923 ( 2.157 -3.833 -4.302) 6.152 ======================= Grid point 355 (119/489) ======================= q-point: ( 0.53 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( 7.535 2.747 -1.972) 8.259 3.666 ( 0.471 16.860 1.682) 16.951 3.735 ( -4.168 15.824 -3.017) 16.640 4.806 ( -1.211 -1.300 -8.559) 8.742 5.381 ( 5.828 0.574 2.105) 6.223 5.979 ( 7.909 1.690 6.961) 10.671 9.039 ( 15.339 6.449 -3.102) 16.926 9.338 ( 0.012 18.347 -0.356) 18.351 10.559 ( -3.120 -7.841 -6.161) 10.449 10.721 ( -7.769 -1.226 -0.005) 7.865 11.576 ( -18.955 -6.159 4.340) 20.397 14.938 ( 5.888 -6.340 -0.820) 8.692 ======================= Grid point 356 (120/489) ======================= q-point: ( 0.59 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( 3.036 -0.977 -4.486) 5.504 3.754 ( -5.882 12.910 -2.518) 14.409 3.827 ( -5.565 17.596 1.859) 18.549 4.775 ( 0.968 1.004 -5.177) 5.361 5.443 ( 2.630 -3.568 0.320) 4.444 6.097 ( 3.604 -2.640 6.317) 7.737 9.371 ( 16.653 2.686 -4.371) 17.426 9.445 ( -6.361 14.572 -0.479) 15.907 10.455 ( -4.546 -1.970 -1.166) 5.090 10.512 ( -6.340 -5.723 2.261) 8.836 11.346 ( -10.172 6.845 -0.192) 12.262 14.979 ( 6.856 -8.126 1.443) 10.729 ======================= Grid point 357 (121/489) ======================= q-point: (-0.35 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.140 ( -2.182 -3.581 -5.478) 6.899 3.729 ( -10.316 11.319 -2.822) 15.573 3.876 ( -8.731 15.575 2.798) 18.073 4.837 ( 5.529 2.826 -3.156) 6.966 5.402 ( -1.160 -6.866 -0.918) 7.023 6.084 ( -2.684 -5.695 5.791) 8.554 9.353 ( -9.053 -1.979 -2.158) 9.515 9.554 ( -2.589 2.612 1.105) 3.840 10.393 ( 2.590 9.662 -1.781) 10.161 10.563 ( 9.012 -0.406 2.371) 9.328 11.297 ( -5.046 8.978 -2.077) 10.506 15.018 ( 6.378 -8.261 3.050) 10.873 ======================= Grid point 358 (122/489) ======================= q-point: (-0.29 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.005 ( -6.591 -4.688 -4.589) 9.299 3.600 ( -15.237 8.341 -2.225) 17.512 3.854 ( -11.243 12.865 2.510) 17.269 4.993 ( 9.732 3.416 -3.652) 10.942 5.267 ( -5.119 -8.526 -0.219) 9.947 5.925 ( -10.381 -7.308 5.130) 13.693 9.113 ( -10.867 -8.469 0.822) 13.802 9.410 ( -15.394 3.382 2.345) 15.935 10.602 ( 4.951 7.817 -2.736) 9.650 10.826 ( 18.799 7.480 1.060) 20.261 11.345 ( 3.399 6.604 -3.810) 8.347 15.062 ( 6.121 -6.425 4.301) 9.861 ======================= Grid point 359 (123/489) ======================= q-point: (-0.24 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( -10.610 -4.759 -2.681) 11.933 3.355 ( -20.131 4.737 -1.036) 20.707 3.766 ( -12.157 9.151 1.614) 15.302 5.039 ( -8.042 -7.738 -5.322) 12.365 5.219 ( 10.017 2.625 0.187) 10.356 5.614 ( -18.736 -7.991 5.526) 21.105 8.862 ( -9.416 -6.817 2.071) 11.807 9.148 ( -18.079 1.453 2.001) 18.247 10.668 ( -2.389 5.312 -1.173) 5.942 11.309 ( 25.988 8.790 0.342) 27.436 11.513 ( 10.916 3.448 -6.237) 13.036 15.136 ( 6.719 -3.438 4.646) 8.863 ======================= Grid point 360 (124/489) ======================= q-point: (-0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( -15.060 -4.154 -0.436) 15.628 3.002 ( -23.998 1.426 0.217) 24.041 3.635 ( -11.570 5.153 0.667) 12.683 4.764 ( -13.755 -6.581 -1.961) 15.374 5.105 ( -27.503 -6.537 -2.307) 28.364 5.468 ( 10.003 1.167 3.725) 10.738 8.645 ( -13.236 -2.973 1.320) 13.630 8.886 ( -10.127 -0.866 1.868) 10.335 10.665 ( -1.513 3.064 -0.981) 3.555 11.704 ( 10.723 0.698 -9.002) 14.018 11.870 ( 28.613 7.906 3.504) 29.891 15.249 ( 7.253 -1.164 3.126) 7.983 ======================= Grid point 361 (125/489) ======================= q-point: (-0.12 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -19.963 -2.995 1.826) 20.269 2.574 ( -26.274 -0.555 1.298) 26.312 3.482 ( -10.068 1.686 -0.160) 10.210 4.414 ( -25.957 -4.072 1.611) 26.324 4.488 ( -30.295 -4.686 -2.742) 30.777 5.660 ( 9.485 0.868 0.116) 9.526 8.328 ( -19.554 -1.532 0.769) 19.629 8.849 ( 4.640 -0.139 0.920) 4.732 10.687 ( 2.099 1.158 -0.682) 2.492 11.818 ( 5.969 -0.878 -10.609) 12.204 12.460 ( 29.653 6.136 6.786) 31.032 15.365 ( 6.362 -0.865 -0.412) 6.434 ======================= Grid point 362 (126/489) ======================= q-point: (-0.06 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -23.782 -0.916 4.412) 24.205 2.109 ( -27.610 -0.472 2.193) 27.701 3.329 ( -8.023 -0.477 -0.968) 8.095 3.700 ( -45.681 0.126 1.959) 45.723 4.098 ( -20.645 0.894 -0.768) 20.679 5.804 ( 7.096 -0.029 -1.336) 7.220 7.996 ( -17.789 0.075 0.666) 17.802 9.012 ( 13.762 -0.487 0.344) 13.775 10.756 ( 5.198 0.243 -0.530) 5.230 11.811 ( -1.481 -1.439 -13.643) 13.799 13.039 ( 28.948 2.983 9.801) 30.708 15.433 ( 3.873 -1.779 -4.956) 6.536 ======================= Grid point 367 (127/489) ======================= q-point: ( 0.24 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 0.000 18.529 15.903) 24.418 1.923 ( 0.000 24.257 6.361) 25.077 3.214 ( -0.000 4.934 -2.281) 5.436 3.341 ( 0.000 46.900 4.020) 47.072 3.877 ( 0.000 22.109 -0.788) 22.123 5.809 ( -0.000 -5.404 -4.166) 6.823 7.836 ( 0.000 15.421 0.712) 15.438 9.176 ( 0.000 -14.105 3.145) 14.451 10.816 ( -0.000 -6.704 -0.755) 6.747 11.402 ( -0.000 7.708 -29.027) 30.033 13.433 ( 0.000 -27.773 13.754) 30.992 15.340 ( -0.000 3.829 -11.261) 11.894 ======================= Grid point 368 (128/489) ======================= q-point: ( 0.29 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 2.412 16.934 12.252) 21.040 2.250 ( 8.323 22.530 5.303) 24.596 3.292 ( 3.737 5.934 -2.498) 7.444 3.865 ( 8.559 38.760 -2.282) 39.759 4.147 ( 5.139 22.932 3.188) 23.716 5.732 ( -1.476 -4.931 -3.646) 6.308 8.054 ( 6.009 17.311 1.201) 18.364 9.030 ( -3.878 -10.419 3.202) 11.569 10.721 ( -2.508 -5.294 -1.451) 6.035 11.356 ( 0.146 0.120 -26.616) 26.617 13.178 ( -2.749 -28.044 15.785) 32.299 15.311 ( -3.094 1.977 -10.511) 11.133 ======================= Grid point 369 (129/489) ======================= q-point: ( 0.35 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 4.702 14.136 7.962) 16.892 2.666 ( 12.267 21.322 4.667) 25.038 3.438 ( 5.618 8.375 -2.803) 10.467 4.297 ( 9.869 19.139 -8.856) 23.283 4.554 ( 9.757 27.956 6.499) 30.314 5.649 ( -2.112 -3.183 -1.054) 3.963 8.380 ( 9.716 18.753 2.414) 21.258 8.872 ( -5.864 -4.262 0.975) 7.315 10.652 ( 0.229 -2.510 -1.733) 3.059 11.232 ( -1.904 -6.449 -22.725) 23.699 12.883 ( -5.292 -27.788 16.571) 32.784 15.202 ( -6.898 0.350 -9.982) 12.138 ======================= Grid point 370 (130/489) ======================= q-point: ( 0.41 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 6.675 10.737 4.427) 13.396 3.102 ( 12.186 20.351 4.079) 24.069 3.620 ( 4.567 12.042 -3.542) 13.357 4.571 ( 10.188 7.470 -8.182) 15.051 4.971 ( 7.776 19.272 1.535) 20.839 5.619 ( 0.093 1.842 4.106) 4.501 8.676 ( 1.146 7.053 2.564) 7.592 8.856 ( 5.687 14.740 -0.257) 15.801 10.672 ( 3.131 1.474 -1.578) 3.803 11.024 ( -4.588 -10.378 -18.941) 22.079 12.545 ( -8.481 -26.820 15.074) 31.914 15.037 ( -7.753 -1.091 -8.594) 11.626 ======================= Grid point 371 (131/489) ======================= q-point: ( 0.47 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 7.531 7.092 1.620) 10.471 3.498 ( 9.428 19.035 3.465) 21.523 3.800 ( 1.467 15.984 -4.265) 16.608 4.732 ( 6.884 0.389 -9.288) 11.568 5.194 ( 3.856 7.118 1.796) 8.292 5.730 ( 4.691 6.531 6.674) 10.450 8.728 ( 2.397 5.285 -0.515) 5.826 9.199 ( 7.836 20.908 2.205) 22.437 10.756 ( -3.571 1.350 -5.505) 6.699 10.773 ( 0.586 -7.095 -10.892) 13.012 12.158 ( -12.241 -23.157 11.274) 28.516 14.884 ( -4.273 -3.462 -5.879) 8.050 ======================= Grid point 372 (132/489) ======================= q-point: ( 0.53 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( 6.808 3.506 -0.962) 7.718 3.808 ( 4.188 16.984 2.006) 17.607 3.958 ( -1.704 18.991 -3.187) 19.332 4.768 ( 1.762 -0.574 -8.937) 9.127 5.309 ( 4.103 0.929 3.767) 5.647 5.892 ( 5.807 2.334 5.752) 8.501 8.888 ( 8.947 7.380 -1.356) 11.677 9.505 ( 3.310 18.962 2.270) 19.382 10.514 ( -4.942 -10.597 -10.329) 15.601 10.841 ( -2.724 6.649 -0.448) 7.199 11.773 ( -12.732 -13.515 5.993) 19.511 14.794 ( 1.363 -6.866 -2.697) 7.501 ======================= Grid point 373 (133/489) ======================= q-point: ( 0.59 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( 4.270 0.350 -3.294) 5.405 3.975 ( -3.281 15.698 -1.845) 16.143 4.105 ( -3.496 19.182 1.573) 19.561 4.761 ( 0.341 1.891 -6.953) 7.214 5.366 ( 2.402 -3.289 2.236) 4.646 6.000 ( 5.410 -3.813 5.663) 8.711 9.147 ( 12.638 6.156 -2.282) 14.242 9.678 ( -3.418 13.557 1.213) 14.034 10.355 ( 1.295 -8.059 -4.510) 9.326 10.756 ( -13.191 4.943 1.869) 14.210 11.546 ( -7.612 0.824 0.251) 7.660 14.772 ( 6.006 -9.727 -0.094) 11.433 ======================= Grid point 374 (134/489) ======================= q-point: (-0.35 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.114 ( 0.293 -1.791 -4.490) 4.843 4.014 ( -8.703 14.417 -2.964) 17.099 4.206 ( -7.319 17.829 3.853) 19.654 4.787 ( 2.055 3.506 -5.401) 6.759 5.336 ( -0.102 -7.077 0.179) 7.080 6.035 ( 2.869 -7.342 5.738) 9.750 9.332 ( 3.621 -2.920 -2.964) 5.516 9.694 ( -4.518 8.677 0.805) 9.816 10.378 ( 7.747 -4.597 0.375) 9.016 10.616 ( -10.386 13.904 2.035) 17.474 11.467 ( -6.416 5.326 -2.860) 8.815 14.800 ( 8.397 -10.347 1.644) 13.427 ======================= Grid point 375 (135/489) ======================= q-point: (-0.29 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( -3.861 -2.531 -3.964) 6.085 3.938 ( -13.816 10.897 -2.647) 17.794 4.223 ( -12.146 16.176 3.792) 20.581 4.870 ( 5.880 3.088 -5.355) 8.532 5.235 ( -1.784 -9.225 0.297) 9.401 5.982 ( -2.662 -7.703 5.107) 9.617 9.192 ( -8.611 -8.402 -0.515) 12.042 9.678 ( -8.734 4.519 1.161) 9.902 10.536 ( 13.041 3.958 -2.775) 13.908 10.725 ( 1.754 15.726 4.315) 16.401 11.391 ( -4.691 1.778 -4.334) 6.630 14.865 ( 9.163 -8.363 2.518) 12.659 ======================= Grid point 376 (136/489) ======================= q-point: (-0.24 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( -7.615 -2.169 -2.284) 8.240 3.739 ( -18.372 6.315 -1.506) 19.486 4.125 ( -16.125 11.355 2.066) 19.830 4.988 ( 5.163 -0.248 -9.812) 11.091 5.131 ( 0.521 -5.247 5.514) 7.629 5.815 ( -10.585 -6.317 4.246) 13.038 8.954 ( -9.292 -6.708 0.965) 11.501 9.485 ( -16.811 1.912 1.447) 16.981 10.780 ( 1.821 9.889 -4.068) 10.847 10.985 ( 16.333 7.873 2.181) 18.263 11.369 ( 5.445 -1.517 -2.693) 6.262 14.965 ( 9.344 -5.069 2.249) 10.866 ======================= Grid point 377 (137/489) ======================= q-point: (-0.18 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( -11.413 -1.152 -0.296) 11.474 3.427 ( -22.521 2.386 -0.073) 22.647 3.925 ( -15.964 4.516 0.153) 16.591 4.891 ( -7.655 -2.951 -3.603) 8.961 5.248 ( 8.228 1.192 -2.900) 8.805 5.523 ( -17.572 -4.607 6.233) 19.206 8.766 ( -7.050 -3.389 0.982) 7.883 9.176 ( -19.936 0.186 1.015) 19.963 10.771 ( -6.674 4.311 -1.004) 8.008 11.374 ( 21.184 1.327 -17.602) 27.575 11.576 ( 17.119 3.063 14.577) 22.692 15.093 ( 9.146 -2.549 0.418) 9.504 ======================= Grid point 378 (138/489) ======================= q-point: (-0.12 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( -15.735 0.343 1.411) 15.802 3.024 ( -25.438 0.025 1.129) 25.463 3.689 ( -13.178 -0.625 -1.046) 13.234 4.692 ( -13.455 1.062 -0.679) 13.513 5.022 ( -28.639 0.040 -3.107) 28.807 5.493 ( 9.768 -0.771 3.159) 10.296 8.616 ( -11.484 -0.612 1.046) 11.548 8.874 ( -11.162 -0.983 -0.447) 11.214 10.702 ( -2.972 0.562 -0.446) 3.057 11.598 ( 13.285 -1.058 -18.553) 22.844 12.060 ( 26.235 3.511 17.052) 31.485 15.218 ( 8.075 -2.067 -2.935) 8.837 ======================= Grid point 379 (139/489) ======================= q-point: (-0.06 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -20.189 2.484 2.793) 20.532 2.580 ( -26.327 0.119 1.967) 26.401 3.467 ( -10.003 -2.491 -1.731) 10.452 4.424 ( -27.758 3.684 2.884) 28.150 4.488 ( -27.652 6.320 -2.871) 28.510 5.655 ( 9.090 -1.201 -0.402) 9.178 8.331 ( -19.427 1.184 1.069) 19.492 8.827 ( 5.259 -1.858 -1.309) 5.729 10.692 ( 1.901 -0.450 -0.148) 1.959 11.705 ( 6.777 -0.945 -17.840) 19.107 12.605 ( 28.033 0.232 17.389) 32.989 15.300 ( 6.128 -3.043 -7.023) 9.805 ======================= Grid point 385 (140/489) ======================= q-point: ( 0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 0.000 15.060 10.410) 18.308 2.404 ( 0.000 20.673 4.369) 21.130 3.299 ( -0.000 5.117 -2.824) 5.844 4.128 ( -0.000 28.655 -8.680) 29.941 4.388 ( 0.000 30.765 7.678) 31.709 5.690 ( -0.000 -3.749 -2.467) 4.488 8.176 ( 0.000 17.911 0.673) 17.923 8.990 ( 0.000 -6.322 3.618) 7.284 10.688 ( -0.000 -5.383 -0.548) 5.411 11.240 ( -0.000 -5.484 -27.044) 27.595 12.969 ( 0.000 -28.534 15.991) 32.710 15.331 ( -0.000 2.085 -9.004) 9.243 ======================= Grid point 386 (141/489) ======================= q-point: ( 0.35 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 1.435 12.334 7.311) 14.410 2.691 ( 8.717 18.790 3.763) 21.052 3.392 ( 5.695 5.808 -2.896) 8.634 4.348 ( 2.739 17.288 -10.267) 20.293 4.760 ( 3.388 30.589 6.227) 31.400 5.653 ( -0.941 -0.523 0.266) 1.109 8.420 ( 7.103 18.177 1.122) 19.548 8.929 ( -3.487 -1.448 1.839) 4.199 10.627 ( -1.003 -3.115 -0.950) 3.408 11.088 ( 0.596 -10.088 -23.246) 25.347 12.716 ( -2.246 -28.589 15.355) 32.530 15.284 ( -4.498 1.392 -8.048) 9.324 ======================= Grid point 387 (142/489) ======================= q-point: ( 0.41 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 3.287 9.293 4.358) 10.777 3.075 ( 13.266 16.986 3.386) 21.817 3.586 ( 9.462 8.382 -3.092) 13.014 4.503 ( 4.016 8.665 -9.585) 13.531 5.089 ( 2.590 19.907 2.393) 20.217 5.672 ( -0.286 6.280 4.164) 7.540 8.740 ( 5.104 12.837 2.816) 14.099 8.902 ( 1.918 9.183 -1.093) 9.445 10.614 ( 2.526 -0.568 -1.812) 3.160 10.911 ( -1.108 -11.254 -17.952) 21.217 12.422 ( -4.363 -28.235 13.638) 31.658 15.154 ( -8.563 0.340 -7.227) 11.210 ======================= Grid point 388 (143/489) ======================= q-point: ( 0.47 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 4.888 6.277 1.958) 8.193 3.479 ( 13.496 14.910 3.100) 20.349 3.849 ( 9.259 13.273 -3.802) 16.624 4.602 ( 5.077 1.569 -8.288) 9.845 5.245 ( -0.170 7.832 1.928) 8.068 5.788 ( 0.783 10.922 5.251) 12.144 8.791 ( -2.361 6.726 -0.182) 7.131 9.239 ( 11.827 19.012 2.024) 22.482 10.638 ( 1.332 -8.785 -10.499) 13.755 10.772 ( 1.552 1.363 -5.742) 6.103 12.098 ( -6.180 -26.217 11.075) 29.124 14.966 ( -9.763 -1.425 -5.953) 11.523 ======================= Grid point 389 (144/489) ======================= q-point: ( 0.53 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( 5.362 3.423 -0.111) 6.362 3.840 ( 10.871 13.404 2.208) 17.399 4.115 ( 4.408 17.481 -3.573) 18.379 4.670 ( 5.639 -0.506 -7.330) 9.262 5.293 ( 0.189 1.228 4.210) 4.389 5.899 ( -0.343 6.277 3.872) 7.383 8.868 ( 2.762 8.877 -0.530) 9.312 9.598 ( 7.585 16.378 3.232) 18.337 10.450 ( -4.054 -10.913 -11.083) 16.073 10.909 ( 4.681 9.320 -2.068) 10.633 11.782 ( -6.069 -20.231 7.841) 22.530 14.772 ( -6.997 -4.429 -4.049) 9.218 ======================= Grid point 390 (145/489) ======================= q-point: ( 0.59 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( 4.417 1.055 -1.884) 4.916 4.120 ( 4.927 14.212 -0.408) 15.047 4.306 ( 0.126 14.805 0.405) 14.811 4.745 ( 3.172 4.438 -7.744) 9.472 5.315 ( 1.538 -2.705 4.706) 5.642 5.922 ( -0.154 -2.304 3.512) 4.204 9.049 ( 7.327 9.049 -0.563) 11.657 9.823 ( 1.335 10.293 3.066) 10.823 10.255 ( -2.383 -9.407 -7.138) 12.047 11.010 ( -5.531 10.288 -0.143) 11.682 11.594 ( -0.766 -7.238 2.679) 7.756 14.628 ( -1.151 -7.941 -1.845) 8.233 ======================= Grid point 391 (146/489) ======================= q-point: ( 0.65 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( 2.080 -0.427 -2.900) 3.594 4.267 ( -3.840 14.600 -3.174) 15.427 4.442 ( -0.450 11.379 4.933) 12.411 4.803 ( 0.063 6.435 -6.715) 9.301 5.302 ( -1.906 -2.835 1.363) 3.678 5.897 ( 3.615 -9.758 4.640) 11.394 9.248 ( 5.820 4.804 -1.160) 7.635 9.844 ( -5.827 3.428 0.627) 6.790 10.195 ( 6.480 -6.321 -1.428) 9.164 10.965 ( -10.968 13.446 2.533) 17.536 11.573 ( -1.722 1.818 -2.308) 3.406 14.573 ( 5.338 -9.597 0.038) 10.982 ======================= Grid point 392 (147/489) ======================= q-point: (-0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.062 ( -1.157 -0.767 -2.647) 2.989 4.262 ( -11.058 11.579 -2.885) 16.269 4.527 ( -4.041 9.959 4.670) 11.719 4.849 ( 0.561 5.807 -4.547) 7.397 5.191 ( -5.150 -5.872 -0.928) 7.866 5.892 ( 4.762 -9.708 4.560) 11.735 9.255 ( -5.627 -2.955 -0.928) 6.423 9.804 ( -2.781 2.831 0.456) 3.994 10.310 ( 12.245 -2.279 -0.490) 12.465 10.976 ( -6.278 17.362 3.902) 18.870 11.493 ( -7.537 -0.473 -4.387) 8.734 14.619 ( 9.693 -7.837 0.903) 12.497 ======================= Grid point 393 (148/489) ======================= q-point: (-0.24 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( -4.593 -0.114 -1.294) 4.773 4.098 ( -16.741 5.688 -1.529) 17.747 4.494 ( -12.321 6.359 1.424) 13.938 4.904 ( 1.431 5.278 -5.569) 7.805 5.073 ( 0.622 -7.220 2.885) 7.800 5.868 ( -0.964 -5.458 2.952) 6.279 9.070 ( -9.983 -3.364 0.013) 10.534 9.730 ( -9.269 0.604 1.073) 9.350 10.569 ( 18.131 1.627 -3.626) 18.561 11.106 ( -1.833 16.820 6.109) 17.989 11.298 ( -6.257 -8.051 -4.779) 11.261 14.743 ( 11.013 -4.214 0.373) 11.797 ======================= Grid point 394 (149/489) ======================= q-point: (-0.18 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( -8.020 1.128 0.431) 8.110 3.809 ( -19.909 0.777 -0.068) 19.924 4.240 ( -17.784 -1.722 -1.605) 17.939 4.951 ( -0.879 4.050 -5.549) 6.926 5.105 ( 6.604 -1.615 4.420) 8.109 5.749 ( -9.847 -1.869 2.139) 10.249 8.882 ( -9.104 -0.597 -0.110) 9.124 9.504 ( -16.942 -0.631 0.979) 16.982 10.876 ( 10.164 2.862 -4.747) 11.577 11.044 ( -0.474 -4.985 -7.219) 8.786 11.386 ( 12.424 4.255 10.115) 16.576 14.901 ( 10.300 -1.378 -1.479) 10.496 ======================= Grid point 395 (150/489) ======================= q-point: (-0.12 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( -11.692 2.718 1.786) 12.136 3.437 ( -22.745 -1.724 1.030) 22.833 3.901 ( -15.391 -5.902 -2.391) 16.656 4.909 ( -8.006 5.799 -1.649) 10.022 5.236 ( 6.097 0.135 -4.292) 7.458 5.519 ( -15.376 0.487 6.001) 16.512 8.749 ( -7.010 1.708 -0.810) 7.260 9.166 ( -20.233 -1.613 0.008) 20.297 10.780 ( -6.849 -3.231 -0.033) 7.573 11.243 ( 18.797 -1.638 -17.039) 25.423 11.740 ( 20.196 1.303 17.261) 26.600 15.046 ( 8.462 -0.630 -4.337) 9.529 ======================= Grid point 396 (151/489) ======================= q-point: (-0.06 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( -15.742 4.723 2.383) 16.607 3.016 ( -24.171 -1.484 1.689) 24.275 3.605 ( -11.221 -5.542 -2.485) 12.760 4.786 ( -13.589 7.280 0.664) 15.431 5.061 ( -24.602 6.283 -6.550) 26.223 5.489 ( 7.207 -1.753 5.268) 9.097 8.636 ( -11.184 2.127 0.235) 11.387 8.842 ( -11.691 -1.033 -2.471) 11.994 10.678 ( -1.700 -2.517 0.353) 3.058 11.452 ( 13.858 -1.765 -18.540) 23.214 12.193 ( 25.650 -2.826 20.263) 32.809 15.142 ( 6.108 -1.591 -7.693) 9.951 ======================= Grid point 403 (152/489) ======================= q-point: ( 0.35 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 0.000 9.788 5.257) 11.110 2.794 ( 0.000 16.274 3.059) 16.559 3.379 ( -0.000 4.804 -3.144) 5.741 4.445 ( -0.000 12.466 -11.017) 16.637 5.040 ( 0.000 25.787 4.601) 26.195 5.685 ( 0.000 5.223 2.818) 5.934 8.527 ( 0.000 16.447 0.070) 16.447 8.969 ( 0.000 2.309 0.788) 2.440 10.612 ( -0.000 -1.831 0.083) 1.833 10.890 ( -0.000 -12.944 -20.924) 24.603 12.496 ( 0.000 -28.711 13.550) 31.748 15.319 ( -0.000 1.876 -6.482) 6.748 ======================= Grid point 404 (153/489) ======================= q-point: ( 0.41 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( 0.996 6.981 3.051) 7.683 3.036 ( 9.142 13.851 2.594) 16.798 3.485 ( 7.722 5.428 -3.024) 9.912 4.514 ( 0.830 6.682 -10.338) 12.337 5.259 ( -0.262 15.263 2.422) 15.457 5.787 ( -0.236 13.157 5.003) 14.078 8.757 ( 8.124 14.496 0.532) 16.626 8.981 ( -2.312 6.122 -2.018) 6.848 10.584 ( -1.110 -1.830 -1.925) 2.879 10.732 ( 2.629 -10.688 -13.678) 17.557 12.234 ( -1.965 -28.394 11.236) 30.599 15.271 ( -5.604 1.650 -5.487) 8.014 ======================= Grid point 405 (154/489) ======================= q-point: ( 0.47 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( 2.723 4.588 1.428) 5.523 3.372 ( 13.911 10.995 2.270) 17.876 3.731 ( 14.016 8.189 -2.945) 16.498 4.544 ( 1.310 2.048 -8.118) 8.475 5.351 ( -2.234 7.119 2.096) 7.750 5.941 ( -1.151 15.142 4.510) 15.842 8.918 ( -3.321 7.928 -1.362) 8.702 9.177 ( 14.391 14.441 -0.666) 20.399 10.504 ( 0.207 -9.124 -7.965) 12.113 10.712 ( 3.820 0.809 -3.385) 5.167 11.945 ( -3.231 -26.569 8.926) 28.214 15.126 ( -10.438 0.719 -4.745) 11.489 ======================= Grid point 406 (155/489) ======================= q-point: ( 0.53 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( 3.931 2.620 0.270) 4.732 3.726 ( 14.941 8.667 1.785) 17.365 4.088 ( 15.359 12.474 -2.960) 20.006 4.560 ( 2.830 -0.731 -5.500) 6.229 5.353 ( -3.531 2.160 3.038) 5.135 6.041 ( -4.190 10.578 2.773) 11.710 8.947 ( -1.320 9.121 -1.673) 9.366 9.573 ( 13.433 12.556 1.387) 18.440 10.379 ( -2.146 -7.493 -7.745) 10.988 10.842 ( 9.126 4.320 -1.846) 10.264 11.670 ( -3.205 -21.711 7.141) 23.079 14.909 ( -12.614 -1.080 -3.855) 13.234 ======================= Grid point 407 (156/489) ======================= q-point: ( 0.59 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.952 ( 4.037 1.123 -0.642) 4.239 4.064 ( 13.878 8.368 0.797) 16.225 4.401 ( 4.282 11.071 -0.868) 11.902 4.649 ( 10.754 3.630 -5.913) 12.799 5.302 ( -2.784 -3.007 4.653) 6.200 6.013 ( -7.904 3.546 1.416) 8.778 9.054 ( 3.169 9.561 -0.615) 10.091 9.843 ( 6.626 5.436 2.307) 8.876 10.231 ( -5.728 -4.471 -5.943) 9.387 11.077 ( 10.010 7.964 -3.042) 13.148 11.483 ( 0.591 -13.309 5.984) 14.605 14.668 ( -10.786 -3.600 -2.590) 11.662 ======================= Grid point 408 (157/489) ======================= q-point: ( 0.65 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( 3.068 0.313 -1.206) 3.312 4.356 ( 8.341 9.687 -2.181) 12.968 4.493 ( 2.266 3.381 3.852) 5.604 4.859 ( 1.520 10.329 -7.572) 12.897 5.278 ( 4.642 -3.671 5.099) 7.811 5.858 ( -9.176 -4.951 1.310) 10.508 9.218 ( 4.973 7.411 -0.095) 8.925 9.947 ( 0.940 1.221 2.336) 2.799 10.067 ( -3.845 -5.398 -3.946) 7.713 11.215 ( -3.542 8.866 0.180) 9.549 11.512 ( 8.588 -2.485 0.870) 8.983 14.479 ( -4.396 -5.410 -1.067) 7.052 ======================= Grid point 409 (158/489) ======================= q-point: (-0.29 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.054 ( 1.159 0.367 -1.083) 1.628 4.459 ( -1.646 5.352 -2.294) 6.051 4.654 ( 2.304 9.563 3.396) 10.406 4.821 ( -1.824 -4.617 -2.143) 5.407 5.366 ( -7.137 10.373 -2.201) 12.782 5.682 ( 4.138 -14.040 3.648) 15.085 9.311 ( -1.059 1.860 -0.279) 2.158 9.884 ( -5.256 1.133 0.374) 5.390 10.088 ( 9.539 -3.229 -0.737) 10.098 11.214 ( -5.126 6.788 2.180) 8.781 11.580 ( -1.698 0.991 -2.049) 2.840 14.427 ( 4.336 -4.191 -0.073) 6.031 ======================= Grid point 410 (159/489) ======================= q-point: (-0.24 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.057 ( -1.474 1.222 -0.156) 1.921 4.393 ( -11.854 1.801 -0.848) 12.020 4.607 ( -4.063 -2.857 -3.062) 5.835 4.913 ( 8.063 0.856 4.304) 9.180 5.161 ( -16.700 2.556 -1.706) 16.981 5.765 ( 8.451 -2.815 1.186) 8.986 9.222 ( -8.685 0.250 -0.035) 8.689 9.834 ( -3.118 -0.073 1.004) 3.277 10.279 ( 14.573 0.059 -2.153) 14.731 11.181 ( -1.953 -3.841 0.610) 4.351 11.473 ( -10.966 4.218 0.297) 11.753 14.532 ( 9.832 -0.492 -0.484) 9.856 ======================= Grid point 411 (160/489) ======================= q-point: (-0.18 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.026 ( -4.532 2.567 1.197) 5.345 4.117 ( -17.113 -3.616 0.452) 17.497 4.429 ( -10.855 -9.474 -4.654) 15.141 4.969 ( 0.155 -2.256 -1.677) 2.815 5.073 ( 0.200 8.145 5.157) 9.642 5.836 ( -0.420 1.732 -0.177) 1.791 9.067 ( -10.556 3.244 -0.263) 11.047 9.729 ( -9.650 -1.488 0.979) 9.813 10.555 ( 18.259 -0.154 -5.085) 18.954 11.027 ( -3.461 -15.785 -1.912) 16.273 11.405 ( -3.815 7.891 6.098) 10.677 14.719 ( 10.353 2.550 -2.035) 10.855 ======================= Grid point 412 (161/489) ======================= q-point: (-0.12 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( -7.836 4.109 2.303) 9.143 3.765 ( -18.779 -5.270 1.212) 19.542 4.068 ( -14.887 -11.715 -3.756) 19.312 5.004 ( 3.638 1.722 -6.982) 8.059 5.161 ( -0.049 5.066 7.067) 8.695 5.777 ( -9.398 3.669 0.749) 10.116 8.932 ( -10.240 5.979 -1.396) 11.940 9.470 ( -17.217 -3.407 -0.055) 17.551 10.812 ( -0.903 -11.183 -3.798) 11.845 10.856 ( 16.351 -1.361 -5.755) 17.388 11.521 ( 9.620 -0.418 10.475) 14.228 14.902 ( 8.086 3.464 -4.064) 9.690 ======================= Grid point 413 (162/489) ======================= q-point: (-0.06 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( -11.353 5.862 2.582) 13.035 3.379 ( -20.614 -4.488 1.542) 21.153 3.720 ( -11.461 -8.916 -3.125) 14.853 5.024 ( -3.972 5.586 -5.728) 8.932 5.219 ( 1.136 1.202 -0.931) 1.898 5.617 ( -14.019 5.269 5.983) 16.127 8.821 ( -9.240 6.331 -2.255) 11.425 9.112 ( -18.808 -3.178 -1.464) 19.131 10.685 ( -2.364 -4.946 0.549) 5.510 11.109 ( 16.703 -2.465 -13.571) 21.662 11.792 ( 21.299 -7.428 15.618) 27.436 15.028 ( 4.860 2.493 -6.205) 8.267 ======================= Grid point 421 (163/489) ======================= q-point: ( 0.41 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 0.000 4.443 1.399) 4.658 3.084 ( 0.000 11.147 2.214) 11.365 3.450 ( -0.000 4.420 -2.964) 5.322 4.526 ( -0.000 3.391 -9.336) 9.933 5.394 ( 0.000 9.676 2.052) 9.891 5.961 ( 0.000 17.117 4.910) 17.808 8.805 ( -0.000 11.407 -0.719) 11.429 9.061 ( -0.000 7.055 -4.428) 8.329 10.529 ( -0.000 -11.792 -10.250) 15.624 10.622 ( 0.000 2.413 0.784) 2.537 12.001 ( 0.000 -27.979 8.433) 29.222 15.326 ( -0.000 2.209 -4.181) 4.728 ======================= Grid point 422 (164/489) ======================= q-point: ( 0.47 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( 1.168 2.583 0.569) 2.892 3.269 ( 8.983 8.175 1.770) 12.274 3.571 ( 9.786 5.055 -2.522) 11.300 4.524 ( 0.332 1.088 -6.908) 7.001 5.461 ( -1.938 5.987 1.754) 6.533 6.132 ( -1.166 15.613 3.649) 16.076 8.987 ( 7.049 8.814 -0.531) 11.299 9.108 ( 1.803 8.033 -6.188) 10.299 10.401 ( -0.345 -7.778 -4.367) 8.927 10.672 ( 1.915 2.939 0.099) 3.510 11.744 ( -0.983 -25.892 5.908) 26.576 15.279 ( -6.561 1.946 -3.410) 7.646 ======================= Grid point 423 (165/489) ======================= q-point: ( 0.53 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( 2.716 1.480 0.443) 3.125 3.543 ( 14.084 5.382 1.341) 15.137 3.866 ( 18.147 6.646 -2.038) 19.432 4.519 ( 0.515 0.027 -4.069) 4.101 5.458 ( -4.257 2.962 1.673) 5.449 6.233 ( -4.007 11.069 1.968) 11.935 9.061 ( -2.518 7.808 -3.544) 8.937 9.394 ( 18.055 7.565 -1.452) 19.630 10.335 ( -0.402 -2.377 -2.099) 3.196 10.735 ( 3.769 -0.269 -0.228) 3.785 11.514 ( -0.395 -19.676 4.213) 20.125 15.121 ( -12.199 1.038 -2.858) 12.573 ======================= Grid point 424 (166/489) ======================= q-point: ( 0.59 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( 3.510 0.766 0.437) 3.619 3.857 ( 16.436 3.915 0.965) 16.923 4.283 ( 21.262 8.150 -1.716) 22.835 4.520 ( 1.351 -0.635 -1.908) 2.422 5.384 ( -6.475 -0.342 1.917) 6.761 6.215 ( -8.417 5.645 0.420) 10.144 9.107 ( 0.387 7.505 -1.644) 7.693 9.723 ( 12.249 2.253 0.010) 12.455 10.310 ( -4.345 3.886 -2.189) 6.226 10.835 ( 14.190 -5.476 -1.029) 15.245 11.389 ( 0.787 -8.724 3.713) 9.514 14.877 ( -15.175 -0.195 -2.136) 15.326 ======================= Grid point 425 (167/489) ======================= q-point: ( 0.65 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( 3.456 0.418 0.322) 3.496 4.181 ( 16.575 2.933 0.360) 16.836 4.507 ( -0.045 1.142 1.566) 1.938 4.751 ( 21.240 7.543 -4.377) 22.961 5.245 ( -7.320 -4.613 3.046) 9.173 6.059 ( -13.229 0.893 -0.621) 13.274 9.207 ( 3.634 5.020 -0.030) 6.198 9.859 ( 5.383 -1.912 0.120) 5.714 10.199 ( -10.379 1.533 -1.161) 10.556 11.133 ( 20.813 0.501 -3.494) 21.110 11.370 ( 1.322 -2.566 4.565) 5.401 14.609 ( -13.684 -0.871 -1.047) 13.752 ======================= Grid point 426 (168/489) ======================= q-point: (-0.29 -0.59 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.024 ( 2.776 0.619 0.316) 2.862 4.451 ( 8.835 1.686 -2.935) 9.462 4.539 ( 6.232 -2.070 5.472) 8.548 4.977 ( -10.232 5.201 -4.844) 12.459 5.234 ( 19.240 -4.465 3.409) 20.044 5.790 ( -17.134 -0.617 -1.170) 17.185 9.301 ( 3.483 -0.009 0.140) 3.486 9.930 ( 5.294 -1.418 -1.335) 5.640 10.031 ( -9.166 2.307 1.443) 9.561 11.303 ( -1.885 -0.208 -1.477) 2.404 11.495 ( 12.326 -0.414 1.410) 12.414 14.425 ( -6.280 0.618 0.032) 6.310 ======================= Grid point 427 (169/489) ======================= q-point: (-0.24 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.072 ( 1.444 1.452 0.703) 2.165 4.479 ( -1.213 -1.673 -0.560) 2.141 4.618 ( -0.081 -13.362 0.374) 13.367 4.858 ( -1.492 7.671 1.025) 7.882 5.398 ( -5.045 -12.706 1.257) 13.729 5.621 ( 3.537 12.725 -2.423) 13.428 9.315 ( -0.760 -1.361 0.128) 1.564 9.883 ( -4.178 -1.647 0.142) 4.493 10.095 ( 7.552 4.422 0.074) 8.752 11.182 ( -6.061 -9.149 -1.041) 11.024 11.610 ( 0.010 1.084 0.984) 1.464 14.428 ( 3.564 4.351 0.037) 5.624 ======================= Grid point 428 (170/489) ======================= q-point: (-0.18 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( -0.701 2.766 1.467) 3.209 4.307 ( -12.019 -10.357 1.689) 15.956 4.434 ( -4.517 -10.323 -4.398) 12.097 4.922 ( 0.679 -3.518 2.086) 4.146 5.216 ( -4.696 4.360 1.830) 6.664 5.825 ( 5.401 7.440 -1.992) 9.407 9.267 ( -6.086 4.036 0.293) 7.309 9.807 ( -2.874 -3.646 0.729) 4.699 10.292 ( 11.103 2.959 -2.217) 11.702 10.927 ( -6.460 -17.118 -1.137) 18.332 11.563 ( -5.669 0.384 2.749) 6.313 14.599 ( 8.379 7.345 -1.143) 11.201 ======================= Grid point 429 (171/489) ======================= q-point: (-0.12 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.109 ( -3.596 4.268 2.232) 6.011 3.977 ( -14.146 -10.128 1.390) 17.453 4.149 ( -11.420 -14.936 -3.699) 19.162 4.903 ( 3.080 -2.788 -1.858) 4.551 5.274 ( -0.645 8.216 3.714) 9.040 5.918 ( -1.734 5.947 -1.027) 6.279 9.192 ( -10.363 9.375 -0.624) 13.988 9.663 ( -9.725 -6.103 -0.340) 11.487 10.512 ( 13.958 -0.204 -4.992) 14.825 10.697 ( 1.123 -15.988 1.499) 16.097 11.477 ( -2.658 -3.867 4.201) 6.298 14.814 ( 7.620 7.991 -2.524) 11.326 ======================= Grid point 430 (172/489) ======================= q-point: (-0.06 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.076 ( -6.893 5.818 2.435) 9.343 3.636 ( -15.745 -8.015 1.577) 17.738 3.797 ( -10.679 -12.064 -3.277) 16.441 4.952 ( 5.870 -1.841 -6.142) 8.693 5.328 ( -3.666 6.902 3.841) 8.708 5.886 ( -8.360 5.920 1.726) 10.388 9.088 ( -12.552 10.060 -1.920) 16.200 9.363 ( -15.795 -5.992 -2.214) 17.037 10.629 ( 3.625 -4.939 -0.388) 6.139 10.760 ( 16.399 -4.914 -4.364) 17.667 11.462 ( 8.785 -10.786 7.090) 15.613 14.982 ( 4.280 6.631 -3.616) 8.681 ======================= Grid point 439 (173/489) ======================= q-point: ( 0.47 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( 0.000 1.069 0.360) 1.128 3.262 ( 0.000 5.676 1.444) 5.857 3.518 ( -0.000 3.927 -2.056) 4.433 4.510 ( -0.000 0.338 -4.691) 4.703 5.536 ( 0.000 4.409 1.140) 4.554 6.296 ( 0.000 12.789 2.345) 13.002 8.969 ( -0.000 5.897 -0.803) 5.951 9.159 ( -0.000 6.281 -7.538) 9.812 10.340 ( -0.000 -3.679 0.148) 3.682 10.698 ( 0.000 4.011 0.780) 4.086 11.514 ( 0.000 -23.874 3.146) 24.080 15.349 ( -0.000 2.113 -2.541) 3.305 ======================= Grid point 440 (174/489) ======================= q-point: ( 0.53 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( 1.506 0.522 1.039) 1.902 3.388 ( 8.653 3.221 1.070) 9.295 3.647 ( 11.304 3.613 -1.427) 11.953 4.504 ( 0.304 0.282 -2.160) 2.199 5.551 ( -2.645 2.469 0.590) 3.667 6.390 ( -2.154 8.326 0.824) 8.639 9.122 ( 8.396 5.465 -0.127) 10.019 9.190 ( 3.119 4.099 -5.605) 7.612 10.329 ( 0.258 0.579 1.824) 1.931 10.721 ( -1.532 0.572 0.144) 1.641 11.324 ( 1.964 -17.102 1.407) 17.272 15.299 ( -7.202 1.600 -2.045) 7.656 ======================= Grid point 441 (175/489) ======================= q-point: ( 0.59 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( 2.753 0.310 1.688) 3.244 3.615 ( 14.365 1.409 0.901) 14.462 3.954 ( 20.343 2.877 -1.085) 20.574 4.511 ( 0.273 0.627 0.179) 0.707 5.496 ( -5.507 0.417 0.152) 5.525 6.384 ( -5.543 3.503 -0.641) 6.588 9.176 ( -1.631 4.942 -0.896) 5.281 9.468 ( 18.587 1.548 -0.591) 18.661 10.393 ( 3.210 6.912 0.725) 7.655 10.631 ( -2.726 -9.164 -0.656) 9.583 11.278 ( 4.643 -5.679 1.146) 7.425 15.127 ( -13.175 0.941 -1.526) 13.296 ======================= Grid point 442 (176/489) ======================= q-point: (-0.35 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( 3.315 0.056 1.736) 3.742 3.899 ( 17.122 -0.282 0.817) 17.143 4.365 ( 24.611 0.601 -1.337) 24.655 4.526 ( 0.083 1.408 2.406) 2.789 5.372 ( -8.353 -1.180 -0.419) 8.447 6.263 ( -9.772 -0.434 -1.733) 9.934 9.199 ( 0.618 1.094 1.122) 1.684 9.728 ( 10.028 0.072 -0.279) 10.032 10.399 ( -10.422 0.939 -0.191) 10.466 10.715 ( 22.166 0.109 -0.934) 22.186 11.326 ( 3.223 -1.440 1.310) 3.765 14.875 ( -16.065 0.912 -0.631) 16.104 ======================= Grid point 443 (177/489) ======================= q-point: (-0.29 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( 3.530 -0.013 1.384) 3.792 4.182 ( 16.769 -3.199 0.616) 17.083 4.520 ( -0.007 -1.199 2.522) 2.793 4.802 ( 23.847 -1.891 0.725) 23.932 5.194 ( -10.478 -0.148 -1.896) 10.649 6.044 ( -13.087 -1.539 -2.216) 13.362 9.215 ( 2.849 -4.658 0.799) 5.518 9.847 ( 4.767 0.800 -1.090) 4.955 10.232 ( -9.709 2.002 2.304) 10.177 11.151 ( 22.855 4.215 -2.571) 23.382 11.332 ( -0.466 -4.157 1.690) 4.511 14.626 ( -13.698 2.638 0.596) 13.962 ======================= Grid point 444 (178/489) ======================= q-point: (-0.24 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.041 ( 3.528 0.390 1.068) 3.707 4.375 ( 11.068 -9.163 -0.116) 14.369 4.490 ( -1.723 -4.668 3.285) 5.962 4.984 ( -3.250 -6.420 4.651) 8.567 5.164 ( 11.456 1.499 -5.813) 12.934 5.824 ( -10.252 3.819 -2.244) 11.168 9.220 ( 4.989 -7.213 0.114) 8.771 9.895 ( 1.101 -2.062 -2.846) 3.683 10.158 ( -5.086 8.277 5.273) 11.053 11.207 ( -7.000 -8.032 -0.736) 10.679 11.493 ( 13.006 0.268 -1.012) 13.048 14.503 ( -5.295 6.440 1.332) 8.443 ======================= Grid point 445 (179/489) ======================= q-point: (-0.18 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.109 ( 2.949 1.332 1.004) 3.388 4.318 ( -2.981 -16.357 1.301) 16.677 4.384 ( -3.229 -9.097 -0.250) 9.656 4.907 ( -1.721 -4.059 3.608) 5.697 5.261 ( 2.431 0.992 -2.649) 3.729 5.827 ( 2.544 8.659 -2.233) 9.297 9.264 ( 6.709 -3.746 0.540) 7.703 9.827 ( -3.776 -4.226 -1.159) 5.784 10.239 ( 1.693 8.536 2.969) 9.194 10.929 ( -11.709 -13.427 -1.153) 17.853 11.593 ( 1.017 -2.976 -0.300) 3.159 14.580 ( 3.544 9.816 0.746) 10.463 ======================= Grid point 446 (180/489) ======================= q-point: (-0.12 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.170 ( 1.294 2.661 1.109) 3.160 4.055 ( -8.588 -14.538 0.927) 16.911 4.153 ( -8.320 -15.950 -1.165) 18.027 4.853 ( -0.616 -2.872 1.229) 3.183 5.339 ( 2.455 6.107 0.173) 6.584 5.959 ( 3.175 6.085 -1.571) 7.041 9.370 ( 3.365 5.178 0.728) 6.218 9.683 ( -5.111 -9.100 -0.213) 10.439 10.374 ( 4.820 5.898 -0.070) 7.617 10.591 ( -8.890 -14.077 -0.487) 16.656 11.502 ( -4.767 -6.938 0.664) 8.445 14.779 ( 6.597 10.448 -0.394) 12.363 ======================= Grid point 447 (181/489) ======================= q-point: (-0.06 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( -1.501 4.179 1.107) 4.576 3.769 ( -10.154 -10.922 1.208) 14.961 3.827 ( -9.428 -14.763 -2.008) 17.631 4.846 ( 2.187 -1.554 -1.958) 3.321 5.432 ( 0.414 5.848 1.329) 6.012 6.025 ( -1.367 4.503 0.386) 4.721 9.387 ( -11.518 3.398 1.315) 12.081 9.503 ( -5.320 -1.725 -3.974) 6.860 10.436 ( 7.403 -11.404 2.501) 13.824 10.517 ( 6.440 3.158 -2.171) 7.494 11.333 ( -3.571 -11.266 1.447) 11.907 14.976 ( 4.793 8.690 -1.134) 9.989 ======================= Grid point 457 (182/489) ======================= q-point: ( 0.53 0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( 0.000 0.169 2.267) 2.273 3.336 ( 0.000 1.367 0.829) 1.599 3.571 ( -0.000 2.022 -0.839) 2.189 4.503 ( 0.000 0.773 0.070) 0.777 5.593 ( -0.000 1.114 -0.216) 1.135 6.471 ( -0.000 4.000 -0.564) 4.040 9.042 ( 0.000 1.950 -0.017) 1.950 9.230 ( -0.000 4.575 -1.795) 4.914 10.338 ( 0.000 0.303 1.748) 1.774 10.762 ( 0.000 1.666 -0.031) 1.667 11.152 ( -0.000 -11.232 -0.397) 11.239 15.371 ( -0.000 1.238 -1.622) 2.040 ======================= Grid point 458 (183/489) ======================= q-point: (-0.41 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( 1.491 0.002 3.239) 3.566 3.421 ( 8.642 -0.359 0.724) 8.679 3.685 ( 11.722 0.587 -0.412) 11.744 4.520 ( 0.242 1.465 2.319) 2.753 5.569 ( -2.945 -0.498 -0.903) 3.121 6.463 ( -2.435 -0.689 -1.959) 3.201 9.176 ( 12.805 -0.451 -0.308) 12.817 9.257 ( -1.053 4.175 3.436) 5.508 10.349 ( 2.279 -1.920 -0.356) 3.001 10.703 ( -6.572 0.137 -0.656) 6.606 11.149 ( 5.528 -0.413 -0.497) 5.565 15.312 ( -7.332 0.702 -1.268) 7.474 ======================= Grid point 459 (184/489) ======================= q-point: (-0.35 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( 2.496 -0.598 3.097) 4.022 3.614 ( 14.416 -2.136 0.791) 14.595 3.962 ( 20.310 -1.619 -0.275) 20.376 4.552 ( 0.059 2.083 4.357) 4.829 5.478 ( -5.758 -1.758 -1.749) 6.269 6.361 ( -5.346 -4.679 -3.072) 7.740 9.217 ( -1.966 -2.503 3.065) 4.419 9.487 ( 16.960 0.100 1.581) 17.034 10.380 ( 5.009 -6.104 -0.649) 7.923 10.633 ( -2.919 8.860 -0.394) 9.337 11.260 ( 4.438 3.358 -0.627) 5.601 15.137 ( -12.919 0.723 -0.556) 12.951 ======================= Grid point 460 (185/489) ======================= q-point: (-0.29 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.914 ( 3.349 -1.340 2.135) 4.191 3.855 ( 16.521 -4.816 0.767) 17.225 4.301 ( 21.267 -6.218 0.058) 22.158 4.597 ( 1.426 2.754 5.920) 6.683 5.335 ( -7.596 -1.391 -3.093) 8.319 6.176 ( -7.895 -6.537 -3.530) 10.841 9.143 ( -1.248 -7.399 1.925) 7.747 9.717 ( 10.449 -3.100 -0.578) 10.914 10.368 ( -2.443 0.710 3.932) 4.684 10.843 ( 15.517 7.647 -0.454) 17.305 11.333 ( -0.213 3.898 -1.864) 4.326 14.905 ( -14.756 2.101 0.716) 14.922 ======================= Grid point 461 (186/489) ======================= q-point: (-0.24 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.969 ( 4.352 -1.693 1.035) 4.783 4.059 ( 14.264 -9.514 0.503) 17.153 4.445 ( 4.139 -9.837 3.280) 11.165 4.757 ( 12.395 -1.661 5.295) 13.580 5.201 ( -5.567 2.395 -5.593) 8.247 5.968 ( -7.466 -4.504 -3.240) 9.302 9.064 ( 2.325 -9.686 0.422) 9.970 9.792 ( 5.342 -6.914 -2.842) 9.188 10.370 ( -5.356 9.473 8.203) 13.628 11.142 ( 10.721 -8.926 3.556) 14.397 11.353 ( 0.651 11.685 -7.302) 13.794 14.715 ( -10.973 5.225 2.138) 12.340 ======================= Grid point 462 (187/489) ======================= q-point: (-0.18 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.038 ( 5.291 -1.412 0.164) 5.479 4.120 ( 6.430 -15.491 -0.108) 16.773 4.344 ( -2.744 -13.706 3.808) 14.488 4.882 ( 2.622 -3.673 6.368) 7.805 5.202 ( 3.499 4.389 -6.926) 8.915 5.861 ( -0.665 0.629 -2.575) 2.733 9.060 ( 7.893 -8.306 0.537) 11.471 9.765 ( 2.563 -9.922 -2.721) 10.603 10.412 ( -5.910 12.286 8.776) 16.214 11.013 ( -9.114 -10.274 0.183) 13.735 11.517 ( 4.561 4.625 -5.260) 8.359 14.673 ( -2.714 8.733 2.642) 9.519 ======================= Grid point 463 (188/489) ======================= q-point: (-0.12 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( 5.504 -0.532 -0.499) 5.552 3.987 ( -1.652 -17.000 -0.566) 17.090 4.118 ( -6.333 -17.427 2.673) 18.734 4.873 ( -2.267 -0.189 4.380) 4.935 5.310 ( 5.658 3.713 -3.633) 7.680 5.922 ( 5.324 2.057 -1.877) 6.008 9.183 ( 13.592 -4.884 1.324) 14.503 9.662 ( -1.363 -12.416 -0.286) 12.494 10.459 ( -4.398 10.477 5.951) 12.827 10.716 ( -14.327 -5.568 -2.229) 15.532 11.512 ( -3.908 -3.167 -3.187) 5.955 14.793 ( 3.881 10.032 1.948) 10.931 ======================= Grid point 475 (189/489) ======================= q-point: (-0.41 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( 0.000 -0.389 4.419) 4.436 3.332 ( 0.000 -2.228 0.386) 2.261 3.581 ( 0.000 -0.767 0.222) 0.799 4.548 ( 0.000 2.353 4.742) 5.294 5.578 ( -0.000 -2.016 -1.740) 2.663 6.444 ( -0.000 -5.450 -3.343) 6.394 9.051 ( 0.000 -1.384 0.909) 1.656 9.317 ( 0.000 1.308 7.143) 7.262 10.305 ( -0.000 -1.878 -1.690) 2.526 10.753 ( -0.000 -2.202 -0.950) 2.398 11.140 ( -0.000 9.985 -1.611) 10.114 15.376 ( -0.000 0.151 -1.168) 1.178 ======================= Grid point 476 (190/489) ======================= q-point: (-0.35 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( 1.045 -1.548 4.103) 4.508 3.381 ( 8.883 -4.205 0.337) 9.834 3.666 ( 11.107 -2.324 0.521) 11.359 4.594 ( -0.013 2.907 7.096) 7.669 5.519 ( -2.804 -3.410 -2.659) 5.153 6.338 ( -1.962 -9.716 -4.541) 10.903 9.127 ( 9.081 -4.568 0.494) 10.177 9.323 ( 0.530 -3.362 7.607) 8.334 10.316 ( 1.060 3.194 0.675) 3.432 10.712 ( -0.814 -0.617 -0.657) 1.215 11.283 ( 1.747 14.089 -2.843) 14.478 15.312 ( -6.895 0.062 -0.767) 6.938 ======================= Grid point 477 (191/489) ======================= q-point: (-0.29 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( 2.237 -3.185 2.501) 4.626 3.534 ( 14.209 -6.610 0.420) 15.677 3.892 ( 18.166 -5.262 0.603) 18.923 4.645 ( -0.362 2.769 8.862) 9.292 5.406 ( -4.755 -3.661 -3.722) 7.062 6.164 ( -3.401 -12.283 -5.165) 13.752 9.111 ( -2.609 -8.912 1.519) 9.410 9.425 ( 14.299 -8.702 1.550) 16.810 10.410 ( 1.854 8.307 5.602) 10.190 10.749 ( 4.444 2.245 1.464) 5.190 11.427 ( -0.953 15.169 -4.855) 15.955 15.152 ( -11.502 1.027 0.312) 11.552 ======================= Grid point 478 (192/489) ======================= q-point: (-0.24 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( 3.951 -4.411 0.747) 5.969 3.709 ( 14.965 -10.340 0.069) 18.190 4.132 ( 16.457 -10.887 1.504) 19.790 4.701 ( 1.284 2.526 9.097) 9.528 5.279 ( -4.720 -1.701 -4.618) 6.819 5.964 ( -3.246 -11.873 -5.031) 13.298 8.967 ( -2.098 -10.053 0.327) 10.274 9.539 ( 11.088 -13.413 -2.032) 17.521 10.559 ( -0.059 11.933 10.377) 15.814 10.893 ( 9.281 -2.392 3.628) 10.248 11.520 ( -4.043 17.491 -8.365) 19.805 14.967 ( -12.008 3.301 2.053) 12.622 ======================= Grid point 479 (193/489) ======================= q-point: (-0.18 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( 5.991 -4.799 -0.598) 7.699 3.812 ( 11.161 -15.296 -0.651) 18.946 4.187 ( 4.827 -16.795 3.669) 17.856 4.818 ( 5.654 2.242 7.809) 9.898 5.201 ( -1.704 1.191 -5.197) 5.597 5.817 ( 0.390 -8.433 -4.415) 9.527 8.877 ( 3.115 -8.680 0.389) 9.230 9.540 ( 7.368 -15.848 -2.666) 17.679 10.686 ( -5.193 14.454 12.958) 20.095 10.953 ( 2.811 -10.559 2.747) 11.267 11.601 ( -3.845 17.826 -10.995) 21.294 14.849 ( -7.576 6.170 3.704) 10.449 ======================= Grid point 480 (194/489) ======================= q-point: (-0.12 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( 7.770 -4.290 -1.563) 9.013 3.777 ( 4.995 -18.514 -1.280) 19.219 4.030 ( -2.727 -18.416 4.029) 19.048 4.933 ( 0.736 2.805 8.066) 8.571 5.221 ( 4.446 1.521 -5.633) 7.336 5.798 ( 6.487 -5.203 -3.441) 8.999 8.918 ( 10.001 -6.455 1.567) 12.006 9.474 ( 4.883 -17.422 -0.840) 18.113 10.726 ( -9.730 9.467 11.220) 17.612 10.843 ( -4.891 -3.461 -0.131) 5.993 11.619 ( -7.917 10.400 -9.903) 16.398 14.863 ( -0.691 7.852 4.182) 8.923 ======================= Grid point 493 (195/489) ======================= q-point: (-0.35 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( 0.000 -3.148 4.036) 5.119 3.245 ( -0.000 -6.827 -0.372) 6.837 3.549 ( 0.000 -2.666 1.198) 2.923 4.652 ( 0.000 2.987 9.933) 10.372 5.491 ( -0.000 -5.067 -3.553) 6.189 6.217 ( -0.000 -14.248 -5.901) 15.421 8.989 ( 0.000 -5.925 1.147) 6.035 9.292 ( 0.000 -8.771 5.582) 10.396 10.398 ( 0.000 11.791 6.563) 13.494 10.678 ( -0.000 -4.000 -1.198) 4.175 11.435 ( -0.000 19.995 -5.103) 20.636 15.367 ( -0.000 -0.203 -0.823) 0.848 ======================= Grid point 494 (196/489) ======================= q-point: (-0.29 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 0.619 -5.515 2.293) 6.005 3.248 ( 9.326 -9.425 -0.424) 13.266 3.608 ( 9.502 -3.982 1.279) 10.382 4.708 ( -0.363 1.488 11.942) 12.040 5.404 ( -2.020 -5.845 -4.205) 7.478 6.031 ( -0.781 -16.941 -6.836) 18.285 8.990 ( 6.336 -9.623 -0.087) 11.522 9.195 ( 0.671 -11.218 2.433) 11.499 10.533 ( -2.119 10.654 7.296) 13.085 10.702 ( 4.755 3.381 5.241) 7.843 11.614 ( -1.278 21.340 -7.607) 22.691 15.311 ( -5.986 0.407 -0.219) 6.004 ======================= Grid point 495 (197/489) ======================= q-point: (-0.24 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 2.584 -7.545 0.155) 7.977 3.345 ( 13.879 -12.648 -0.607) 18.788 3.772 ( 14.266 -7.195 1.245) 16.026 4.739 ( -0.264 -1.423 11.807) 11.895 5.296 ( -2.313 -5.042 -3.483) 6.550 5.828 ( -0.435 -16.369 -7.226) 17.898 8.915 ( -2.171 -10.159 -1.291) 10.468 9.183 ( 10.956 -14.870 -0.207) 18.471 10.618 ( 3.822 3.246 3.088) 5.890 10.886 ( 1.088 12.008 15.095) 19.319 11.757 ( -3.733 22.000 -10.766) 24.776 15.187 ( -9.421 2.057 1.357) 9.738 ======================= Grid point 496 (198/489) ======================= q-point: (-0.18 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( 5.420 -8.558 -1.309) 10.214 3.437 ( 13.418 -16.737 -1.288) 21.490 3.906 ( 10.494 -12.569 2.127) 16.511 4.770 ( 3.552 -2.693 8.555) 9.647 5.218 ( -0.828 -3.464 -0.375) 3.581 5.665 ( 1.326 -12.583 -7.502) 14.710 8.784 ( -1.186 -7.661 -0.773) 7.791 9.202 ( 10.273 -18.245 -1.700) 21.007 10.741 ( 7.216 -1.931 2.320) 7.822 11.022 ( -5.810 12.542 17.819) 22.551 11.858 ( -5.857 22.741 -13.991) 27.335 15.061 ( -9.154 4.221 3.652) 10.721 ======================= Grid point 497 (199/489) ======================= q-point: (-0.12 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 8.453 -8.322 -2.071) 12.041 3.450 ( 9.870 -20.145 -1.689) 22.496 3.874 ( 2.019 -16.205 3.267) 16.654 4.878 ( 8.619 -1.926 5.002) 10.150 5.199 ( 0.512 -0.945 2.948) 3.138 5.587 ( 5.367 -9.488 -7.819) 13.415 8.742 ( 4.071 -5.348 0.783) 6.767 9.169 ( 8.307 -19.201 -0.766) 20.935 10.778 ( 1.071 -7.204 0.517) 7.301 11.080 ( -8.475 14.320 17.119) 23.873 11.898 ( -9.905 20.259 -15.792) 27.531 14.998 ( -5.253 5.706 5.611) 9.572 ======================= Grid point 511 (200/489) ======================= q-point: (-0.29 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 0.000 -8.399 1.178) 8.481 3.051 ( -0.000 -12.246 -1.233) 12.308 3.495 ( 0.000 -3.707 1.632) 4.051 4.750 ( 0.000 -2.496 13.537) 13.766 5.335 ( -0.000 -8.783 -3.910) 9.614 5.836 ( -0.000 -17.471 -8.087) 19.252 8.817 ( -0.000 -12.069 0.477) 12.079 9.095 ( -0.000 -10.593 -0.696) 10.616 10.608 ( -0.000 -1.797 -0.540) 1.876 10.816 ( 0.000 19.965 19.199) 27.698 11.823 ( -0.000 23.312 -10.269) 25.474 15.365 ( -0.000 0.557 -0.311) 0.638 ======================= Grid point 512 (201/489) ======================= q-point: (-0.24 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 0.891 -11.099 -0.902) 11.171 2.997 ( 9.264 -15.235 -1.441) 17.889 3.528 ( 7.504 -4.936 1.420) 9.093 4.735 ( -0.122 -8.276 11.920) 14.512 5.208 ( 0.675 -15.487 -2.116) 15.646 5.665 ( -0.479 -10.013 -7.888) 12.756 8.742 ( 5.881 -14.957 -1.007) 16.103 8.984 ( -0.712 -8.602 -1.489) 8.759 10.599 ( 0.443 0.569 0.501) 0.878 11.093 ( 0.650 18.438 22.544) 29.131 12.002 ( -2.256 24.150 -13.105) 27.569 15.331 ( -4.784 1.587 0.599) 5.075 ======================= Grid point 513 (202/489) ======================= q-point: (-0.18 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 3.983 -12.674 -2.363) 13.494 3.023 ( 13.106 -18.704 -1.968) 22.923 3.629 ( 9.896 -7.966 1.336) 12.774 4.678 ( 2.238 -11.212 7.563) 13.709 5.062 ( 5.366 -22.252 0.399) 22.894 5.574 ( -2.030 -0.317 -5.968) 6.311 8.685 ( 4.492 -13.561 -2.697) 14.538 8.908 ( 2.534 -9.403 -0.410) 9.747 10.642 ( 3.260 0.397 1.334) 3.545 11.308 ( -3.574 14.448 22.669) 27.118 12.142 ( -4.725 25.264 -15.656) 30.095 15.253 ( -7.266 3.185 2.739) 8.393 ======================= Grid point 514 (203/489) ======================= q-point: (-0.12 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 8.053 -12.829 -2.691) 15.384 3.040 ( 12.559 -21.583 -2.240) 25.071 3.674 ( 5.492 -11.930 2.026) 13.289 4.678 ( 8.539 -9.583 2.607) 13.098 4.988 ( 12.158 -22.701 3.338) 25.967 5.531 ( -3.799 4.377 -4.660) 7.437 8.631 ( 4.246 -9.833 -1.917) 10.881 8.868 ( 4.408 -11.267 0.711) 12.119 10.696 ( 2.413 -2.002 0.858) 3.250 11.408 ( -6.981 11.741 20.653) 24.761 12.228 ( -8.639 24.636 -17.866) 31.635 15.177 ( -7.072 4.415 5.537) 10.009 ======================= Grid point 529 (204/489) ======================= q-point: (-0.24 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( -0.000 -14.756 -2.571) 14.979 2.745 ( -0.000 -17.535 -2.055) 17.655 3.423 ( 0.000 -4.548 1.371) 4.750 4.653 ( 0.000 -14.820 9.506) 17.607 4.957 ( -0.000 -29.528 -3.025) 29.682 5.616 ( -0.000 1.737 -4.280) 4.619 8.523 ( -0.000 -17.033 -0.287) 17.036 8.927 ( -0.000 -3.944 -3.316) 5.153 10.614 ( 0.000 2.417 0.301) 2.435 11.347 ( 0.000 16.917 26.045) 31.056 12.225 ( -0.000 25.711 -14.820) 29.676 15.389 ( 0.000 1.767 0.507) 1.838 ======================= Grid point 530 (205/489) ======================= q-point: (-0.18 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 2.232 -17.053 -4.100) 17.680 2.629 ( 8.563 -20.382 -2.523) 22.251 3.430 ( 5.593 -5.618 1.048) 7.996 4.522 ( 1.492 -17.827 6.391) 18.997 4.660 ( 5.393 -35.438 -2.928) 35.966 5.638 ( -1.746 6.265 -1.177) 6.610 8.399 ( 5.703 -18.241 -1.020) 19.139 8.884 ( -1.777 0.589 -2.677) 3.267 10.644 ( -0.204 3.522 0.879) 3.635 11.559 ( -1.751 11.272 24.649) 27.161 12.420 ( -2.695 27.645 -15.006) 31.571 15.381 ( -3.448 2.545 1.728) 4.621 ======================= Grid point 531 (206/489) ======================= q-point: (-0.12 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 6.741 -17.751 -4.175) 19.442 2.593 ( 12.451 -22.656 -2.759) 25.998 3.476 ( 6.157 -8.088 1.129) 10.227 4.426 ( 6.440 -16.378 1.547) 17.667 4.462 ( 14.134 -35.256 0.058) 37.983 5.660 ( -3.646 7.355 0.154) 8.210 8.340 ( 8.681 -18.003 -1.589) 20.050 8.857 ( -3.471 3.644 -0.742) 5.087 10.678 ( 0.117 2.557 1.044) 2.765 11.663 ( -4.117 6.431 20.435) 21.815 12.571 ( -7.026 27.797 -14.956) 32.337 15.343 ( -5.337 3.459 4.227) 7.637 ======================= Grid point 547 (207/489) ======================= q-point: (-0.18 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -0.000 -20.564 -6.045) 21.434 2.332 ( -0.000 -22.397 -2.933) 22.588 3.333 ( 0.000 -5.028 0.753) 5.084 4.205 ( -0.000 -42.533 -2.344) 42.598 4.330 ( 0.000 -20.851 3.574) 21.155 5.723 ( 0.000 7.239 0.974) 7.304 8.166 ( -0.000 -18.035 -0.377) 18.039 8.927 ( -0.000 6.345 -3.008) 7.022 10.699 ( 0.000 5.586 0.614) 5.619 11.733 ( 0.000 5.164 21.987) 22.586 12.688 ( -0.000 29.871 -11.660) 32.066 15.437 ( 0.000 2.128 1.618) 2.673 ======================= Grid point 548 (208/489) ======================= q-point: (-0.12 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 4.291 -22.137 -6.537) 23.477 2.166 ( 8.495 -24.196 -3.159) 25.838 3.321 ( 3.885 -5.745 0.547) 6.957 3.843 ( 10.120 -44.167 -2.343) 45.372 4.159 ( 3.842 -20.810 2.588) 21.319 5.782 ( -1.820 6.825 1.527) 7.226 8.036 ( 5.215 -17.139 -0.530) 17.923 8.985 ( -2.740 10.837 -1.722) 11.310 10.742 ( -1.878 5.517 0.797) 5.882 11.801 ( -1.563 -0.285 16.664) 16.739 12.921 ( -4.437 29.945 -8.773) 31.517 15.445 ( -2.015 2.168 2.915) 4.154 ======================= Grid point 565 (209/489) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -0.000 -24.495 -8.158) 25.817 1.824 ( -0.000 -26.560 -3.638) 26.808 3.237 ( -0.000 -4.815 0.105) 4.816 3.271 ( -0.000 -49.644 -2.035) 49.686 3.915 ( 0.000 -22.227 2.247) 22.340 5.864 ( 0.000 5.717 1.547) 5.923 7.829 ( -0.000 -15.328 0.041) 15.328 9.141 ( 0.000 16.216 -0.724) 16.233 10.828 ( 0.000 6.672 0.460) 6.688 11.822 ( 0.000 -6.229 11.383) 12.976 13.243 ( -0.000 29.984 -3.663) 30.207 15.482 ( 0.000 0.763 2.769) 2.872 ======================= Grid point 620 (210/489) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 0.000 -0.000 23.583) 23.583 0.464 ( 0.000 -0.000 23.583) 23.583 0.932 ( 0.000 -0.000 47.936) 47.936 3.050 ( -0.000 0.000 -1.958) 1.958 3.050 ( -0.000 0.000 -1.958) 1.958 6.909 ( -0.000 0.000 -8.696) 8.696 7.367 ( 0.000 -0.000 0.776) 0.776 7.367 ( 0.000 -0.000 0.776) 0.776 11.077 ( -0.000 0.000 -0.588) 0.588 11.077 ( -0.000 0.000 -0.588) 0.588 14.406 ( 0.000 -0.000 1.788) 1.788 14.736 ( -0.000 0.000 -0.744) 0.744 ======================= Grid point 621 (211/489) ======================= q-point: ( 0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 19.636 11.337 14.128) 26.715 0.943 ( 15.715 9.073 25.109) 30.980 1.448 ( 34.349 19.831 25.685) 47.253 3.056 ( 1.443 0.833 -2.526) 3.026 3.180 ( 11.000 6.351 -1.520) 12.793 6.117 ( -12.930 -7.465 4.800) 15.683 7.431 ( 4.935 2.849 1.140) 5.811 9.304 ( 54.354 31.381 -49.232) 79.768 10.880 ( -6.500 -3.753 -10.636) 13.017 11.041 ( -2.866 -1.655 -0.668) 3.376 14.288 ( -10.458 -6.038 4.572) 12.912 15.063 ( 16.791 9.694 -15.953) 25.109 ======================= Grid point 622 (212/489) ======================= q-point: ( 0.24 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 22.965 13.259 8.127) 27.735 1.340 ( 13.928 8.041 22.164) 27.384 2.415 ( 41.904 24.193 10.689) 49.553 3.098 ( 2.957 1.707 -2.959) 4.518 3.517 ( 17.879 10.323 -0.054) 20.645 5.940 ( -5.486 -3.167 -2.718) 6.893 7.598 ( 9.213 5.319 1.267) 10.713 9.554 ( -12.250 -7.072 -2.011) 14.287 10.948 ( -4.858 -2.805 -0.682) 5.651 10.996 ( 18.724 10.811 -34.801) 40.971 14.003 ( -15.752 -9.095 10.465) 20.985 15.242 ( 3.981 2.299 -14.981) 15.670 ======================= Grid point 623 (213/489) ======================= q-point: ( 0.29 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 15.783 9.112 14.012) 22.989 1.860 ( 22.140 12.782 5.416) 26.132 3.169 ( 3.975 2.295 -3.236) 5.616 3.375 ( 39.145 22.601 4.224) 45.398 3.965 ( 20.248 11.690 1.769) 23.447 5.809 ( -5.162 -2.980 -4.517) 7.479 7.855 ( 12.723 7.346 1.099) 14.733 9.166 ( -17.754 -10.250 2.275) 20.626 10.826 ( -5.397 -3.116 -0.575) 6.259 11.273 ( 12.117 6.996 -28.922) 32.128 13.652 ( -18.505 -10.684 16.443) 26.962 15.194 ( -3.063 -1.768 -14.745) 15.164 ======================= Grid point 624 (214/489) ======================= q-point: ( 0.35 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 16.744 9.667 7.375) 20.693 2.355 ( 19.563 11.295 3.949) 22.932 3.255 ( 4.362 2.518 -3.366) 6.058 4.205 ( 32.233 18.610 -1.954) 37.271 4.426 ( 18.736 10.817 3.539) 21.921 5.679 ( -4.755 -2.745 -2.563) 6.059 8.175 ( 14.599 8.429 0.655) 16.871 8.837 ( -10.440 -6.027 -0.045) 12.055 10.710 ( -4.272 -2.467 -0.296) 4.942 11.339 ( 0.973 0.562 -22.961) 22.988 13.250 ( -21.950 -12.673 19.122) 31.750 15.060 ( -3.616 -2.087 -13.546) 14.175 ======================= Grid point 625 (215/489) ======================= q-point: ( 0.41 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 15.874 9.165 2.770) 18.538 2.774 ( 15.981 9.227 3.083) 18.709 3.343 ( 4.078 2.354 -3.368) 5.789 4.761 ( 15.362 8.869 -10.953) 20.848 4.854 ( 18.357 10.598 4.686) 21.709 5.616 ( 0.567 0.327 4.663) 4.709 8.509 ( 13.982 8.073 0.008) 16.145 8.710 ( -0.158 -0.091 -2.232) 2.240 10.638 ( -1.837 -1.060 0.178) 2.128 11.198 ( -6.736 -3.889 -18.486) 20.055 12.743 ( -27.396 -15.817 15.911) 35.410 14.983 ( 0.377 0.218 -8.749) 8.760 ======================= Grid point 626 (216/489) ======================= q-point: ( 0.47 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( 13.054 7.537 -0.592) 15.085 3.103 ( 11.937 6.892 2.548) 14.018 3.416 ( 3.138 1.812 -3.249) 4.867 4.890 ( 0.839 0.484 -12.883) 12.920 5.206 ( 11.646 6.724 2.117) 13.614 5.775 ( 9.749 5.629 9.612) 14.803 8.797 ( 10.907 6.297 -0.681) 12.613 8.812 ( 9.664 5.580 -3.916) 11.827 10.629 ( 0.762 0.440 0.750) 1.156 10.954 ( -9.261 -5.347 -13.760) 17.427 12.109 ( -30.796 -17.780 10.384) 37.045 15.015 ( 3.560 2.055 -3.201) 5.210 ======================= Grid point 627 (217/489) ======================= q-point: ( 0.53 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( 8.534 4.927 -3.584) 10.486 3.337 ( 7.827 4.519 2.134) 9.286 3.461 ( 1.596 0.922 -2.944) 3.473 4.818 ( -2.337 -1.349 -9.477) 9.854 5.422 ( 6.780 3.914 1.159) 7.914 6.022 ( 7.927 4.577 8.412) 12.432 8.996 ( 6.680 3.857 -1.129) 7.795 9.109 ( 16.975 9.800 -5.525) 20.364 10.666 ( 1.806 1.043 1.163) 2.388 10.704 ( -9.849 -5.686 -7.984) 13.895 11.453 ( -26.981 -15.578 6.219) 31.770 15.100 ( 3.771 2.177 0.405) 4.374 ======================= Grid point 628 (218/489) ======================= q-point: ( 0.59 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.236 ( 2.671 1.542 -6.226) 6.948 3.455 ( 0.178 0.103 -1.954) 1.965 3.489 ( 3.234 1.867 1.248) 3.937 4.774 ( 1.146 0.662 -5.283) 5.446 5.522 ( 1.741 1.005 -0.346) 2.040 6.161 ( 1.675 0.967 7.378) 7.628 9.097 ( 2.558 1.477 -1.133) 3.164 9.517 ( 18.776 10.840 -7.580) 22.967 10.408 ( -14.765 -8.525 0.002) 17.050 10.701 ( 0.574 0.332 1.195) 1.367 11.029 ( -9.188 -5.305 2.358) 10.869 15.174 ( 2.081 1.202 2.378) 3.381 ======================= Grid point 629 (219/489) ======================= q-point: (-0.35 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( -3.221 -1.860 -7.286) 8.180 3.401 ( -3.784 -2.185 -2.080) 4.839 3.548 ( 1.044 0.603 1.629) 2.026 4.848 ( 6.326 3.652 -2.847) 7.840 5.498 ( -3.616 -2.088 -1.112) 4.321 6.137 ( -5.745 -3.317 6.624) 9.375 9.107 ( -1.499 -0.865 -0.733) 1.879 9.661 ( -10.375 -5.990 -1.827) 12.118 10.323 ( 14.722 8.500 -3.428) 17.342 10.692 ( -1.585 -0.915 0.835) 2.011 11.014 ( 5.523 3.189 1.982) 6.678 15.209 ( 0.294 0.170 3.850) 3.865 ======================= Grid point 630 (220/489) ======================= q-point: (-0.29 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.054 ( -8.013 -4.626 -6.205) 11.141 3.266 ( -7.607 -4.392 -1.360) 8.888 3.549 ( -1.241 -0.716 1.283) 1.924 5.029 ( 9.855 5.690 -3.482) 11.900 5.353 ( -8.616 -4.974 -0.295) 9.953 5.938 ( -13.373 -7.721 6.093) 16.600 9.019 ( -6.169 -3.561 -0.146) 7.124 9.310 ( -16.267 -9.392 3.781) 19.160 10.644 ( -2.377 -1.372 0.243) 2.755 10.811 ( 25.590 14.775 -8.713) 30.807 11.236 ( 12.283 7.092 1.847) 14.303 15.223 ( -0.047 -0.027 5.454) 5.454 ======================= Grid point 631 (221/489) ======================= q-point: (-0.24 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( -12.214 -7.052 -3.690) 14.578 3.041 ( -11.839 -6.835 -0.541) 13.681 3.505 ( -2.853 -1.647 0.965) 3.433 5.091 ( -11.703 -6.757 -4.837) 14.353 5.263 ( 7.837 4.525 -2.298) 9.337 5.572 ( -19.300 -11.143 8.243) 23.761 8.820 ( -11.234 -6.486 0.293) 12.976 9.004 ( -11.080 -6.397 4.874) 13.691 10.604 ( -0.665 -0.384 -0.288) 0.820 11.388 ( 27.085 15.637 -9.114) 32.576 11.539 ( 12.875 7.434 -0.171) 14.868 15.256 ( 1.460 0.843 6.705) 6.914 ======================= Grid point 632 (222/489) ======================= q-point: (-0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( -16.196 -9.351 -0.440) 18.707 2.720 ( -16.092 -9.291 0.427) 18.587 3.429 ( -3.883 -2.242 0.673) 4.534 4.749 ( -17.071 -9.856 -0.943) 19.735 4.965 ( -27.346 -15.788 -2.623) 31.685 5.539 ( 8.482 4.897 3.068) 10.264 8.517 ( -14.879 -8.590 0.352) 17.184 8.853 ( -3.044 -1.757 4.219) 5.491 10.622 ( 2.361 1.363 -0.526) 2.776 11.783 ( 9.028 5.212 -7.662) 12.937 11.995 ( 27.269 15.744 -2.065) 31.555 15.334 ( 3.353 1.936 6.144) 7.262 ======================= Grid point 633 (223/489) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( -19.481 -11.248 3.292) 22.735 2.309 ( -19.959 -11.523 1.725) 23.111 3.335 ( -4.336 -2.503 0.338) 5.018 4.180 ( -35.870 -20.709 2.219) 41.478 4.369 ( -19.823 -11.445 -3.862) 23.213 5.728 ( 7.232 4.175 -0.177) 8.353 8.163 ( -15.528 -8.965 0.143) 17.931 8.900 ( 6.143 3.547 2.632) 7.566 10.705 ( 4.828 2.788 -0.524) 5.600 11.888 ( 2.230 1.287 -8.771) 9.141 12.622 ( 27.404 15.822 0.596) 31.649 15.431 ( 3.357 1.938 2.835) 4.803 ======================= Grid point 638 (224/489) ======================= q-point: ( 0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 0.000 22.511 15.679) 27.434 1.022 ( 0.000 25.141 20.061) 32.163 1.498 ( 0.000 31.042 30.701) 43.659 3.065 ( -0.000 2.471 -2.280) 3.362 3.152 ( -0.000 11.534 -2.420) 11.786 6.127 ( 0.000 -17.000 3.793) 17.418 7.418 ( 0.000 5.028 0.736) 5.081 9.117 ( -0.000 62.468 -43.335) 76.028 10.937 ( -0.000 -1.477 -10.602) 10.705 11.039 ( -0.000 -3.341 -0.721) 3.418 14.288 ( 0.000 -13.442 4.635) 14.218 15.001 ( -0.000 17.623 -13.372) 22.122 ======================= Grid point 639 (225/489) ======================= q-point: ( 0.24 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 9.591 23.974 11.202) 28.147 1.365 ( 5.975 15.617 23.922) 29.186 2.170 ( 24.703 37.629 14.364) 47.250 3.091 ( 0.702 4.037 -2.766) 4.944 3.382 ( 10.957 14.632 -1.236) 18.322 5.966 ( -3.771 -7.062 -2.188) 8.299 7.537 ( 5.697 7.582 1.073) 9.544 9.512 ( 6.451 1.210 -11.427) 13.178 10.853 ( -3.079 8.639 -20.400) 22.367 11.019 ( -0.084 4.838 -9.180) 10.377 14.092 ( -6.572 -17.135 8.638) 20.284 15.162 ( 4.777 8.382 -14.736) 17.613 ======================= Grid point 640 (226/489) ======================= q-point: ( 0.29 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 8.948 13.941 18.687) 24.973 1.743 ( 14.160 22.033 7.497) 27.243 3.049 ( 31.057 32.914 5.424) 45.577 3.153 ( 1.936 5.680 -3.105) 6.757 3.776 ( 16.817 14.984 1.166) 22.554 5.835 ( -3.866 -4.558 -4.885) 7.719 7.761 ( 9.271 10.512 1.316) 14.078 9.321 ( -12.415 -15.032 2.755) 19.690 10.820 ( -0.420 -4.535 -5.057) 6.806 11.130 ( 5.746 15.515 -27.240) 31.871 13.802 ( -10.349 -18.461 13.917) 25.330 15.190 ( -1.737 1.963 -14.816) 15.046 ======================= Grid point 641 (227/489) ======================= q-point: ( 0.35 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 11.252 12.958 11.472) 20.643 2.231 ( 15.017 20.150 5.366) 25.697 3.239 ( 2.173 6.816 -3.348) 7.899 3.882 ( 29.586 26.083 -1.569) 39.473 4.234 ( 18.352 13.401 4.216) 23.112 5.711 ( -3.864 -3.652 -4.202) 6.777 8.063 ( 11.477 13.044 1.302) 17.423 8.964 ( -12.736 -10.396 1.602) 16.518 10.737 ( -2.308 -4.164 -1.213) 4.913 11.240 ( 3.358 4.687 -24.508) 25.177 13.459 ( -13.883 -19.361 17.569) 29.602 15.081 ( -5.277 -0.166 -14.326) 15.268 ======================= Grid point 642 (228/489) ======================= q-point: ( 0.41 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 12.821 11.326 5.534) 17.980 2.678 ( 12.885 18.288 4.086) 22.741 3.335 ( 1.746 7.688 -3.476) 8.616 4.519 ( 20.957 14.569 -9.878) 27.368 4.686 ( 17.203 12.850 6.882) 22.548 5.626 ( -1.178 -1.369 0.720) 1.945 8.405 ( 11.454 14.202 1.089) 18.278 8.737 ( -5.182 -3.300 -0.738) 6.187 10.667 ( -2.197 -1.162 -0.327) 2.506 11.174 ( -2.677 -3.887 -20.160) 20.705 13.029 ( -20.072 -20.471 16.199) 32.930 14.965 ( -2.354 -0.022 -10.629) 10.887 ======================= Grid point 643 (229/489) ======================= q-point: ( 0.47 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( 12.443 8.593 1.225) 15.171 3.055 ( 9.217 16.694 3.055) 19.313 3.425 ( 0.693 8.074 -3.464) 8.813 4.801 ( 6.833 3.019 -12.843) 14.858 5.081 ( 12.722 9.204 3.457) 16.078 5.702 ( 7.323 3.988 7.736) 11.374 8.692 ( 6.982 5.017 -0.372) 8.606 8.760 ( 6.420 12.095 -1.587) 13.785 10.641 ( -0.974 1.254 0.255) 1.608 10.977 ( -6.044 -7.194 -15.769) 18.356 12.462 ( -26.892 -20.077 10.940) 35.298 14.948 ( 3.063 -0.201 -4.772) 5.674 ======================= Grid point 644 (230/489) ======================= q-point: ( 0.53 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( 10.033 5.233 -2.336) 11.554 3.341 ( 4.719 14.928 2.240) 15.815 3.493 ( -0.885 8.105 -3.241) 8.774 4.802 ( -0.789 -1.045 -11.266) 11.342 5.335 ( 8.350 4.393 2.448) 9.748 5.939 ( 9.845 4.586 8.543) 13.818 8.900 ( 13.221 6.263 -2.994) 14.933 9.002 ( 4.333 14.166 -1.209) 14.863 10.643 ( -0.127 -1.021 -0.562) 1.173 10.763 ( -6.123 -4.881 -9.221) 12.097 11.817 ( -28.929 -15.680 6.288) 33.501 15.015 ( 5.986 -1.505 -0.346) 6.182 ======================= Grid point 645 (231/489) ======================= q-point: ( 0.59 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( 5.667 1.501 -5.619) 8.120 3.522 ( -1.380 11.824 -0.198) 11.906 3.535 ( -1.343 8.908 -0.824) 9.046 4.748 ( -0.112 -0.107 -7.384) 7.386 5.475 ( 4.371 0.510 0.899) 4.491 6.133 ( 5.581 1.204 7.876) 9.728 9.152 ( -0.228 12.360 -0.545) 12.374 9.251 ( 18.405 7.737 -6.197) 20.905 10.539 ( -7.359 -6.049 -4.713) 10.629 10.650 ( -1.489 -4.915 2.332) 5.640 11.287 ( -20.432 -2.821 2.732) 20.806 15.100 ( 5.906 -3.210 2.026) 7.020 ======================= Grid point 646 (232/489) ======================= q-point: (-0.35 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( 0.272 -2.167 -7.440) 7.754 3.521 ( -6.392 7.890 -2.791) 10.530 3.623 ( -2.927 10.079 1.924) 10.670 4.773 ( 4.231 2.293 -4.702) 6.728 5.500 ( -0.058 -3.051 -0.185) 3.057 6.190 ( -1.101 -2.742 7.375) 7.945 9.208 ( -5.294 9.492 -0.962) 10.911 9.587 ( 12.332 0.262 -6.866) 14.117 10.300 ( -7.767 -1.290 1.362) 7.991 10.629 ( 4.523 -5.269 1.506) 7.106 11.107 ( -6.817 8.624 0.558) 11.007 15.159 ( 4.408 -4.454 3.378) 7.119 ======================= Grid point 647 (233/489) ======================= q-point: (-0.29 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.084 ( -4.413 -4.762 -6.842) 9.432 3.439 ( -10.568 6.222 -2.310) 12.479 3.645 ( -5.415 8.051 1.602) 9.834 4.904 ( 8.556 4.069 -4.911) 10.671 5.414 ( -4.644 -5.888 0.321) 7.506 6.083 ( -8.784 -6.303 6.951) 12.853 9.152 ( -8.848 3.948 -0.556) 9.705 9.479 ( -12.294 -9.331 0.948) 15.463 10.466 ( 16.792 6.933 -5.653) 19.026 10.693 ( 4.859 3.509 0.525) 6.016 11.175 ( 3.842 9.151 1.110) 9.987 15.191 ( 3.275 -4.514 4.536) 7.188 ======================= Grid point 648 (234/489) ======================= q-point: (-0.24 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( -8.521 -6.231 -4.633) 11.528 3.262 ( -15.053 3.434 -1.248) 15.490 3.612 ( -6.970 6.001 1.029) 9.255 5.076 ( 6.726 2.164 -11.430) 13.437 5.252 ( -5.411 -5.321 5.552) 9.403 5.809 ( -16.499 -9.163 7.204) 20.201 8.979 ( -11.587 -2.612 0.632) 11.894 9.173 ( -14.140 -5.173 3.332) 15.421 10.609 ( 0.561 -0.060 -0.778) 0.961 11.052 ( 23.689 14.547 -11.302) 30.009 11.405 ( 11.589 6.962 3.671) 14.009 15.224 ( 3.532 -3.173 5.402) 7.192 ======================= Grid point 649 (235/489) ======================= q-point: (-0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( -12.929 -6.961 -1.575) 14.768 2.982 ( -19.168 -0.006 0.097) 19.168 3.537 ( -7.639 3.968 0.475) 8.622 4.909 ( -12.372 -8.110 -4.800) 15.553 5.229 ( -12.769 -5.191 -5.608) 14.881 5.490 ( -3.094 -2.838 10.250) 11.077 8.722 ( -14.940 -4.087 1.003) 15.521 8.934 ( -8.829 -3.492 3.565) 10.142 10.611 ( 0.110 1.543 -0.718) 1.706 11.546 ( 20.574 10.346 -24.223) 33.423 11.737 ( 18.692 7.692 14.790) 25.047 15.289 ( 4.660 -1.249 4.913) 6.886 ======================= Grid point 650 (236/489) ======================= q-point: (-0.12 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( -17.615 -7.274 2.070) 19.169 2.610 ( -22.498 -3.093 1.535) 22.761 3.435 ( -7.600 2.088 -0.020) 7.882 4.553 ( -18.646 -8.770 -0.378) 20.609 4.659 ( -32.867 -12.756 -2.354) 35.334 5.626 ( 8.517 2.593 1.220) 8.986 8.391 ( -18.292 -4.554 0.722) 18.864 8.858 ( 1.293 -0.425 2.887) 3.192 10.652 ( 3.060 1.824 -0.816) 3.654 11.770 ( 8.750 2.235 -17.868) 20.021 12.297 ( 27.320 11.820 9.203) 31.158 15.379 ( 4.877 -0.213 2.065) 5.301 ======================= Grid point 656 (237/489) ======================= q-point: ( 0.24 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 0.000 24.469 10.148) 26.490 1.562 ( 0.000 17.136 22.883) 28.588 2.428 ( 0.000 45.503 11.902) 47.034 3.116 ( -0.000 4.080 -2.708) 4.897 3.454 ( -0.000 19.440 -1.473) 19.495 5.914 ( -0.000 -7.201 -3.578) 8.041 7.578 ( 0.000 10.581 0.870) 10.617 9.428 ( -0.000 -4.224 -4.291) 6.022 10.941 ( -0.000 -5.839 -0.814) 5.896 11.012 ( -0.000 18.576 -31.005) 36.144 13.974 ( 0.000 -21.996 10.105) 24.206 15.171 ( -0.000 9.224 -14.055) 16.812 ======================= Grid point 657 (238/489) ======================= q-point: ( 0.29 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 6.396 21.635 12.124) 25.612 1.824 ( 4.440 18.029 15.470) 24.167 3.041 ( 14.721 42.067 5.003) 44.849 3.170 ( 2.022 5.715 -2.934) 6.735 3.729 ( 8.429 20.057 0.672) 21.766 5.818 ( -1.923 -5.484 -5.114) 7.741 7.751 ( 5.801 13.183 1.204) 14.453 9.310 ( -3.770 -14.753 3.214) 15.563 10.812 ( -4.817 -3.308 -5.174) 7.805 11.127 ( 3.090 13.223 -27.198) 30.399 13.748 ( -3.675 -23.892 13.389) 27.633 15.201 ( -0.848 5.087 -14.072) 14.987 ======================= Grid point 658 (239/489) ======================= q-point: ( 0.35 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 5.213 14.493 13.923) 20.762 2.241 ( 11.914 22.956 6.215) 26.600 3.267 ( 2.741 7.733 -3.122) 8.779 3.733 ( 19.985 32.808 -2.901) 38.525 4.123 ( 13.559 18.660 4.888) 23.579 5.714 ( -2.641 -4.113 -4.717) 6.793 8.035 ( 9.468 15.990 1.774) 18.667 9.052 ( -9.633 -12.725 2.926) 16.226 10.711 ( -1.255 -3.777 -3.250) 5.138 11.179 ( 1.267 4.997 -24.009) 24.557 13.465 ( -6.710 -24.746 16.177) 30.316 15.138 ( -5.146 2.075 -13.850) 14.920 ======================= Grid point 659 (240/489) ======================= q-point: ( 0.41 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 7.783 12.569 8.047) 16.832 2.690 ( 11.819 22.035 5.145) 25.529 3.388 ( 2.076 10.063 -3.459) 10.841 4.304 ( 18.306 17.792 -9.034) 27.079 4.580 ( 14.942 18.659 6.933) 24.889 5.632 ( -1.505 -1.832 -1.238) 2.675 8.387 ( 10.407 17.998 2.392) 20.927 8.806 ( -7.632 -5.437 0.449) 9.382 10.669 ( 0.231 -1.605 -1.562) 2.251 11.109 ( -1.933 -3.638 -20.477) 20.887 13.119 ( -11.134 -25.270 16.041) 31.935 15.006 ( -6.032 0.797 -11.759) 13.240 ======================= Grid point 660 (241/489) ======================= q-point: ( 0.47 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( 9.178 9.720 3.397) 13.793 3.104 ( 9.344 21.157 4.158) 23.499 3.510 ( 0.520 11.980 -3.759) 12.567 4.646 ( 11.278 5.744 -10.729) 16.592 4.990 ( 11.320 12.967 3.405) 17.547 5.657 ( 4.078 2.899 4.904) 7.006 8.659 ( 1.785 3.293 1.251) 3.949 8.800 ( 6.330 17.143 0.023) 18.275 10.673 ( 0.007 2.227 -0.632) 2.315 10.929 ( -4.077 -8.693 -16.970) 19.498 12.669 ( -17.890 -24.099 12.016) 32.330 14.906 ( -1.657 -0.774 -7.115) 7.346 ======================= Grid point 661 (242/489) ======================= q-point: ( 0.53 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( 8.730 6.255 -0.479) 10.750 3.447 ( 5.233 19.929 3.372) 20.879 3.616 ( -1.537 13.524 -3.834) 14.141 4.747 ( 2.571 0.045 -11.232) 11.523 5.251 ( 7.834 5.653 3.090) 10.143 5.843 ( 9.042 4.529 7.318) 12.483 8.762 ( 7.830 4.743 -1.249) 9.240 9.107 ( 4.541 20.331 0.973) 20.855 10.653 ( -4.355 -3.825 -5.662) 8.102 10.762 ( -0.831 -1.530 -6.961) 7.176 12.122 ( -23.067 -19.056 6.794) 30.682 14.891 ( 3.911 -3.554 -2.283) 5.757 ======================= Grid point 662 (243/489) ======================= q-point: ( 0.59 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.054 ( 6.316 2.633 -3.988) 7.920 3.677 ( -1.354 14.055 -0.029) 14.120 3.714 ( -2.399 18.731 -0.621) 18.894 4.724 ( -0.034 -0.146 -8.601) 8.602 5.401 ( 5.008 0.555 2.171) 5.486 6.048 ( 8.013 0.926 7.229) 10.832 9.010 ( 14.402 6.604 -2.884) 16.104 9.338 ( -0.937 18.986 0.391) 19.013 10.499 ( -1.394 -7.902 -6.392) 10.258 10.724 ( -6.099 0.645 0.489) 6.153 11.608 ( -20.516 -7.617 2.391) 22.015 14.938 ( 7.063 -6.457 0.813) 9.604 ======================= Grid point 663 (244/489) ======================= q-point: ( 0.65 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( 2.225 -0.572 -6.374) 6.775 3.728 ( -6.194 12.934 -3.024) 14.656 3.848 ( -5.275 17.993 2.544) 18.923 4.721 ( 2.065 1.592 -6.092) 6.627 5.448 ( 1.886 -3.735 0.806) 4.261 6.162 ( 3.620 -3.228 7.127) 8.621 9.321 ( 14.421 2.968 -5.641) 15.767 9.447 ( -5.334 15.651 0.538) 16.543 10.442 ( -0.020 -0.936 -1.501) 1.769 10.537 ( -8.776 -5.890 2.830) 10.942 11.340 ( -10.644 5.615 -0.876) 12.066 14.998 ( 7.618 -8.310 2.430) 11.532 ======================= Grid point 664 (245/489) ======================= q-point: (-0.29 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( -2.220 -2.660 -6.500) 7.366 3.700 ( -10.152 11.379 -3.106) 15.562 3.902 ( -9.034 16.059 2.621) 18.611 4.794 ( 5.945 2.869 -5.651) 8.689 5.401 ( -1.294 -6.910 0.691) 7.064 6.145 ( -2.807 -6.292 6.868) 9.728 9.331 ( -7.249 -2.155 -2.449) 7.949 9.557 ( -1.988 5.222 -0.524) 5.612 10.379 ( -0.398 8.079 -1.081) 8.160 10.584 ( 9.555 0.628 2.100) 9.803 11.279 ( -4.788 7.703 -1.750) 9.237 15.049 ( 7.031 -8.459 3.335) 11.494 ======================= Grid point 665 (246/489) ======================= q-point: (-0.24 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( -6.111 -3.582 -4.719) 8.512 3.578 ( -14.711 8.539 -2.274) 17.161 3.874 ( -11.774 13.144 1.833) 17.742 4.931 ( 8.267 2.598 -8.809) 12.357 5.285 ( -3.725 -7.658 3.394) 9.167 5.982 ( -10.397 -8.018 6.588) 14.690 9.119 ( -9.863 -7.761 0.512) 12.561 9.429 ( -15.052 3.229 1.533) 15.471 10.570 ( 6.961 8.385 -4.088) 11.639 10.821 ( 14.190 8.340 -1.993) 16.580 11.328 ( 4.409 5.050 0.121) 6.705 15.100 ( 6.739 -6.881 3.688) 10.313 ======================= Grid point 666 (247/489) ======================= q-point: (-0.18 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -9.898 -3.766 -2.039) 10.785 3.347 ( -19.496 5.016 -0.692) 20.143 3.777 ( -12.561 9.125 0.682) 15.541 4.962 ( -3.455 -4.516 -10.337) 11.798 5.233 ( 3.227 -0.687 2.502) 4.140 5.679 ( -16.823 -8.362 7.814) 20.347 8.882 ( -9.167 -6.885 2.031) 11.643 9.165 ( -17.938 1.090 1.609) 18.043 10.655 ( -2.033 5.223 -1.427) 5.784 11.212 ( 20.986 9.406 -16.511) 28.311 11.550 ( 14.735 4.069 9.737) 18.124 15.173 ( 7.067 -4.517 2.872) 8.866 ======================= Grid point 667 (248/489) ======================= q-point: (-0.12 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( -14.182 -3.543 0.937) 14.648 3.009 ( -23.465 1.641 1.107) 23.548 3.637 ( -11.721 4.883 -0.340) 12.702 4.735 ( -12.390 -5.497 -4.356) 14.237 5.077 ( -24.293 -5.909 -2.792) 25.157 5.516 ( 5.095 -0.631 5.904) 7.824 8.662 ( -13.730 -3.052 2.104) 14.221 8.901 ( -9.736 -1.766 1.175) 9.964 10.654 ( -1.407 3.122 -1.194) 3.626 11.524 ( 14.986 3.011 -22.429) 27.142 11.992 ( 24.040 7.728 15.784) 29.779 15.265 ( 7.059 -2.931 0.180) 7.646 ======================= Grid point 674 (249/489) ======================= q-point: ( 0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 0.000 22.907 6.689) 23.864 2.012 ( 0.000 15.104 17.673) 23.248 3.188 ( -0.000 4.972 -3.187) 5.906 3.368 ( 0.000 43.117 1.067) 43.130 3.884 ( 0.000 23.603 2.610) 23.747 5.765 ( -0.000 -5.047 -5.246) 7.280 7.844 ( 0.000 15.372 0.974) 15.403 9.213 ( 0.000 -13.587 4.790) 14.406 10.809 ( -0.000 -6.652 -0.761) 6.696 11.115 ( -0.000 9.586 -30.719) 32.180 13.570 ( 0.000 -26.333 14.746) 30.181 15.222 ( -0.000 5.314 -13.270) 14.294 ======================= Grid point 675 (250/489) ======================= q-point: ( 0.35 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 1.474 13.763 13.566) 19.381 2.302 ( 8.375 21.595 5.538) 23.815 3.264 ( 3.806 5.980 -3.240) 7.794 3.823 ( 7.515 33.474 -6.228) 34.868 4.197 ( 5.761 26.114 7.052) 27.656 5.693 ( -1.238 -3.617 -4.366) 5.803 8.066 ( 6.431 17.300 1.302) 18.502 9.065 ( -4.617 -11.064 3.961) 12.626 10.704 ( -3.227 -4.621 -2.340) 6.103 11.107 ( 2.008 1.239 -25.236) 25.346 13.329 ( -2.484 -27.531 15.943) 31.911 15.201 ( -3.346 3.703 -12.630) 13.581 ======================= Grid point 676 (251/489) ======================= q-point: ( 0.41 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 3.507 11.820 8.771) 15.131 2.712 ( 12.324 20.621 4.923) 24.523 3.408 ( 5.464 8.398 -3.372) 10.572 4.210 ( 10.162 18.809 -9.159) 23.258 4.617 ( 8.727 25.983 6.638) 28.202 5.637 ( -1.146 -0.833 -1.468) 2.040 8.403 ( 10.371 19.089 2.301) 21.846 8.883 ( -6.924 -5.284 1.209) 8.793 10.633 ( 0.249 -2.140 -2.374) 3.205 11.028 ( -0.639 -5.430 -19.964) 20.699 13.036 ( -5.277 -28.339 15.536) 32.746 15.100 ( -6.931 2.144 -11.360) 13.479 ======================= Grid point 677 (252/489) ======================= q-point: ( 0.47 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( 5.552 9.299 4.646) 11.785 3.143 ( 12.134 19.864 4.520) 23.712 3.584 ( 4.289 11.897 -3.934) 13.245 4.489 ( 10.101 7.661 -8.692) 15.372 4.992 ( 6.848 17.503 2.640) 18.979 5.654 ( 1.670 4.051 3.182) 5.415 8.699 ( -0.799 4.657 2.255) 5.236 8.857 ( 7.360 16.937 0.330) 18.470 10.655 ( 3.473 1.087 -2.282) 4.295 10.857 ( -3.861 -8.927 -15.825) 18.575 12.678 ( -9.288 -27.855 12.826) 32.042 14.955 ( -7.010 0.320 -8.606) 11.104 ======================= Grid point 678 (253/489) ======================= q-point: ( 0.53 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( 6.413 6.287 1.127) 9.051 3.535 ( 9.206 18.594 4.245) 21.178 3.759 ( 1.493 15.893 -4.386) 16.554 4.644 ( 6.082 1.188 -9.033) 10.955 5.215 ( 4.635 7.674 2.512) 9.310 5.787 ( 5.211 6.056 5.362) 9.622 8.725 ( 1.902 5.022 -0.069) 5.371 9.221 ( 7.776 21.538 2.480) 23.033 10.632 ( -4.373 -10.811 -13.052) 17.503 10.750 ( 2.904 5.922 -1.355) 6.733 12.251 ( -13.876 -23.946 8.401) 28.922 14.833 ( -2.853 -2.860 -4.759) 6.242 ======================= Grid point 679 (254/489) ======================= q-point: ( 0.59 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( 5.634 3.230 -2.044) 6.808 3.826 ( 2.654 15.448 1.430) 15.740 3.935 ( -0.091 20.458 -1.474) 20.511 4.685 ( 1.912 0.376 -8.424) 8.646 5.341 ( 3.705 1.451 3.096) 5.042 5.946 ( 6.353 1.344 5.439) 8.471 8.878 ( 8.291 7.538 -0.803) 11.235 9.528 ( 2.648 19.525 2.489) 19.860 10.423 ( -2.991 -9.858 -8.710) 13.490 10.835 ( -1.826 7.042 -0.652) 7.304 11.818 ( -14.827 -14.339 3.548) 20.929 14.775 ( 2.782 -6.921 -1.312) 7.574 ======================= Grid point 680 (255/489) ======================= q-point: ( 0.65 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.057 ( 3.264 0.703 -4.439) 5.555 3.954 ( -4.071 15.342 -2.465) 16.063 4.128 ( -2.687 20.159 3.164) 20.582 4.693 ( 1.085 2.148 -7.137) 7.532 5.384 ( 1.404 -3.305 1.687) 3.967 6.056 ( 5.965 -4.485 5.942) 9.540 9.125 ( 11.508 6.609 -2.219) 13.455 9.690 ( -4.240 13.604 1.295) 14.308 10.319 ( 3.782 -6.734 -3.176) 8.351 10.773 ( -12.425 5.260 1.611) 13.588 11.541 ( -9.071 -0.246 -1.203) 9.154 14.776 ( 7.037 -10.016 0.880) 12.273 ======================= Grid point 681 (256/489) ======================= q-point: (-0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.067 ( -0.146 -0.818 -5.159) 5.225 3.984 ( -8.755 14.390 -3.166) 17.139 4.245 ( -7.668 18.786 4.169) 20.715 4.730 ( 2.613 3.349 -6.447) 7.721 5.340 ( -0.370 -7.379 0.679) 7.419 6.093 ( 3.019 -7.937 6.166) 10.494 9.302 ( 3.473 -1.509 -3.412) 5.097 9.702 ( -4.398 8.461 0.889) 9.577 10.382 ( 8.073 -4.895 0.494) 9.454 10.637 ( -10.494 14.666 2.408) 18.194 11.437 ( -6.645 4.451 -3.433) 8.704 14.817 ( 9.085 -10.724 1.913) 14.185 ======================= Grid point 682 (257/489) ======================= q-point: (-0.24 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( -3.719 -1.252 -4.021) 5.619 3.912 ( -13.499 11.229 -2.782) 17.778 4.256 ( -13.046 16.486 3.103) 21.251 4.808 ( 5.346 2.748 -7.504) 9.614 5.248 ( -0.818 -8.897 2.193) 9.199 6.034 ( -2.685 -8.601 5.713) 10.669 9.186 ( -7.638 -7.609 -0.933) 10.821 9.690 ( -8.309 4.578 1.235) 9.567 10.500 ( 9.825 4.106 -4.477) 11.551 10.768 ( 2.773 16.227 4.550) 17.079 11.354 ( -4.117 0.919 -3.315) 5.365 14.886 ( 9.619 -9.029 1.960) 13.337 ======================= Grid point 683 (258/489) ======================= q-point: (-0.18 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( -7.180 -0.952 -1.813) 7.467 3.725 ( -17.828 6.857 -1.386) 19.152 4.139 ( -16.753 10.736 0.861) 19.917 4.891 ( 3.920 0.469 -10.438) 11.159 5.183 ( 1.259 -5.015 5.381) 7.463 5.861 ( -10.163 -7.464 5.354) 13.699 8.962 ( -8.730 -6.912 0.680) 11.156 9.501 ( -16.811 1.755 1.839) 17.002 10.730 ( 6.438 9.155 -6.672) 13.030 10.975 ( 6.479 8.019 -3.622) 10.927 11.380 ( 9.759 0.271 4.603) 10.794 14.980 ( 9.513 -6.278 0.834) 11.428 ======================= Grid point 684 (259/489) ======================= q-point: (-0.12 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( -10.898 -0.299 0.581) 10.918 3.429 ( -21.954 2.803 0.512) 22.138 3.921 ( -16.097 3.666 -1.029) 16.541 4.843 ( -5.643 -0.510 -6.528) 8.644 5.224 ( 1.912 -0.549 -1.703) 2.619 5.592 ( -13.721 -5.110 7.795) 16.588 8.776 ( -6.656 -4.173 0.975) 7.916 9.188 ( -20.305 -0.195 1.370) 20.352 10.759 ( -6.285 4.781 -1.548) 8.047 11.197 ( 16.968 1.208 -18.879) 25.413 11.720 ( 20.676 5.031 15.021) 26.047 15.087 ( 8.878 -4.269 -1.728) 10.002 ======================= Grid point 692 (260/489) ======================= q-point: ( 0.35 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 0.000 11.997 11.105) 16.348 2.446 ( 0.000 19.836 4.463) 20.332 3.268 ( -0.000 5.174 -3.569) 6.285 4.041 ( -0.000 26.035 -9.390) 27.677 4.465 ( 0.000 31.042 8.372) 32.151 5.664 ( -0.000 -1.702 -2.964) 3.418 8.183 ( 0.000 17.695 0.692) 17.709 9.024 ( 0.000 -7.386 3.381) 8.123 10.683 ( -0.000 -5.195 -0.399) 5.211 10.992 ( -0.000 -3.515 -24.794) 25.042 13.120 ( 0.000 -28.832 15.749) 32.853 15.233 ( -0.000 4.025 -11.298) 11.994 ======================= Grid point 693 (261/489) ======================= q-point: ( 0.41 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 0.970 9.821 7.587) 12.448 2.727 ( 8.867 18.086 3.891) 20.515 3.361 ( 5.789 5.887 -3.529) 8.979 4.253 ( 3.077 16.986 -9.507) 19.707 4.818 ( 2.672 28.380 5.807) 29.091 5.653 ( -0.515 2.243 -0.227) 2.312 8.430 ( 7.781 17.996 0.931) 19.628 8.942 ( -4.120 -2.795 0.803) 5.043 10.616 ( -1.645 -2.723 -1.355) 3.458 10.886 ( 1.851 -8.103 -18.880) 20.629 12.858 ( -2.260 -29.750 14.518) 33.180 15.198 ( -4.667 3.360 -9.983) 11.521 ======================= Grid point 694 (262/489) ======================= q-point: ( 0.47 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 2.740 7.554 4.423) 9.172 3.109 ( 13.504 16.346 3.739) 21.530 3.553 ( 9.242 8.480 -3.724) 13.084 4.418 ( 4.554 8.601 -8.069) 12.643 5.111 ( 1.830 18.593 2.124) 18.803 5.706 ( 0.360 8.317 3.076) 8.875 8.764 ( 4.970 11.635 2.144) 12.832 8.888 ( 2.736 9.161 -1.767) 9.723 10.592 ( 1.775 -1.450 -3.165) 3.908 10.765 ( -0.195 -8.167 -12.345) 14.803 12.545 ( -4.569 -29.784 12.217) 32.515 15.079 ( -8.535 2.056 -8.309) 12.088 ======================= Grid point 695 (263/489) ======================= q-point: ( 0.53 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 4.224 5.235 1.869) 6.982 3.512 ( 13.640 14.140 3.794) 20.010 3.810 ( 8.937 13.554 -4.303) 16.796 4.531 ( 5.153 2.153 -6.511) 8.578 5.263 ( 0.316 8.540 1.618) 8.697 5.831 ( 0.853 10.484 3.827) 11.193 8.786 ( -2.241 6.037 -0.759) 6.484 9.257 ( 12.792 19.082 1.766) 23.041 10.534 ( -1.326 -9.806 -10.451) 14.392 10.739 ( 3.997 4.100 -2.151) 6.117 12.194 ( -6.807 -27.456 9.199) 29.745 14.908 ( -9.247 -0.290 -6.022) 11.039 ======================= Grid point 696 (264/489) ======================= q-point: ( 0.59 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( 4.504 3.016 -0.364) 5.433 3.863 ( 10.292 12.321 2.498) 16.247 4.084 ( 5.311 18.337 -2.804) 19.295 4.606 ( 4.820 0.293 -6.168) 7.834 5.329 ( 0.804 2.028 3.241) 3.907 5.931 ( -0.042 5.235 2.976) 6.022 8.863 ( 2.957 8.751 -0.459) 9.248 9.627 ( 7.960 16.436 2.828) 18.480 10.355 ( -3.667 -9.444 -8.628) 13.307 10.891 ( 4.993 8.928 -1.703) 10.371 11.847 ( -7.498 -20.723 5.802) 22.789 14.736 ( -6.043 -3.993 -3.389) 7.997 ======================= Grid point 697 (265/489) ======================= q-point: ( 0.65 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( 3.500 1.302 -2.203) 4.336 4.113 ( 3.318 13.631 -1.036) 14.067 4.322 ( 2.285 16.095 2.884) 16.511 4.672 ( 2.886 4.116 -7.532) 9.055 5.353 ( 0.522 -2.024 3.109) 3.746 5.955 ( 0.953 -3.293 3.300) 4.758 9.044 ( 6.985 9.233 -0.405) 11.585 9.850 ( 0.592 10.211 2.456) 10.519 10.196 ( -0.649 -8.357 -5.137) 9.831 11.009 ( -3.838 10.569 0.035) 11.244 11.612 ( -3.446 -7.830 1.078) 8.623 14.614 ( -0.113 -7.979 -1.028) 8.046 ======================= Grid point 698 (266/489) ======================= q-point: ( 0.71 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.041 ( 1.439 0.435 -3.113) 3.457 4.238 ( -4.053 14.274 -2.851) 15.110 4.493 ( -0.440 11.546 5.686) 12.878 4.738 ( 0.814 7.723 -6.784) 10.312 5.310 ( -3.204 -3.630 0.286) 4.851 5.942 ( 4.523 -10.309 4.733) 12.212 9.236 ( 5.091 5.348 -1.247) 7.488 9.849 ( -6.089 3.107 0.390) 6.847 10.186 ( 7.774 -5.930 -0.572) 9.794 10.992 ( -10.296 13.915 3.063) 17.579 11.546 ( -2.992 1.496 -3.430) 4.791 14.575 ( 6.072 -9.871 0.433) 11.597 ======================= Grid point 699 (267/489) ======================= q-point: (-0.24 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( -1.307 0.473 -2.677) 3.016 4.234 ( -10.859 11.963 -2.849) 16.406 4.562 ( -3.817 7.451 2.427) 8.717 4.812 ( -1.358 10.067 -2.966) 10.583 5.184 ( -3.666 -7.416 -0.672) 8.300 5.936 ( 4.682 -10.677 4.737) 12.584 9.245 ( -5.431 -2.144 -1.086) 5.938 9.811 ( -2.514 2.887 0.994) 3.955 10.299 ( 11.313 -2.941 -1.675) 11.808 11.018 ( -5.720 17.807 4.854) 19.323 11.450 ( -7.889 -0.436 -4.771) 9.230 14.626 ( 9.988 -8.421 0.580) 13.077 ======================= Grid point 700 (268/489) ======================= q-point: (-0.18 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( -4.369 1.150 -1.161) 4.665 4.082 ( -16.323 6.532 -1.644) 17.658 4.495 ( -12.121 3.242 -1.109) 12.596 4.853 ( -1.892 7.948 -5.127) 9.645 5.106 ( 3.015 -6.440 4.086) 8.201 5.900 ( -0.872 -7.013 3.607) 7.934 9.069 ( -9.751 -3.280 -0.114) 10.288 9.744 ( -9.084 0.485 1.932) 9.299 10.519 ( 15.932 1.736 -6.610) 17.336 11.162 ( -5.040 17.266 4.678) 18.585 11.264 ( -1.588 -7.804 -1.600) 8.123 14.742 ( 10.933 -5.203 -0.586) 12.122 ======================= Grid point 701 (269/489) ======================= q-point: (-0.12 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( -7.689 2.104 0.665) 7.999 3.809 ( -19.478 1.465 0.110) 19.533 4.219 ( -17.357 -3.181 -2.892) 17.881 4.889 ( -0.303 5.517 -7.175) 9.056 5.152 ( 3.940 -1.282 5.158) 6.617 5.777 ( -8.792 -3.228 3.686) 10.065 8.880 ( -9.087 -1.161 -0.243) 9.164 9.518 ( -17.138 -1.171 1.899) 17.282 10.801 ( 15.451 3.509 -10.669) 19.102 10.986 ( -8.612 -4.798 -4.473) 10.826 11.492 ( 15.201 5.319 11.655) 19.880 14.880 ( 9.840 -2.587 -2.770) 10.544 ======================= Grid point 710 (270/489) ======================= q-point: ( 0.41 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 0.000 7.461 5.315) 9.161 2.824 ( 0.000 15.769 3.188) 16.088 3.346 ( -0.000 4.966 -3.666) 6.173 4.348 ( -0.000 12.275 -9.092) 15.276 5.080 ( 0.000 23.694 3.672) 23.977 5.708 ( 0.000 7.957 1.985) 8.201 8.527 ( 0.000 16.081 -0.060) 16.082 8.967 ( -0.000 0.599 -1.405) 1.527 10.613 ( 0.000 -1.531 0.272) 1.555 10.714 ( -0.000 -9.962 -15.695) 18.590 12.621 ( 0.000 -30.541 12.597) 33.037 15.248 ( -0.000 3.818 -8.445) 9.268 ======================= Grid point 711 (271/489) ======================= q-point: ( 0.47 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 0.909 5.295 3.211) 6.259 3.062 ( 9.228 13.361 2.915) 16.497 3.453 ( 7.753 5.678 -3.539) 10.241 4.428 ( 1.185 6.963 -7.474) 10.283 5.277 ( -0.506 14.605 1.373) 14.678 5.828 ( -0.155 14.143 3.553) 14.583 8.761 ( 9.011 14.226 0.200) 16.841 8.952 ( -2.481 4.428 -4.109) 6.530 10.546 ( -1.429 -6.274 -5.991) 8.792 10.648 ( 2.677 -2.773 -4.017) 5.567 12.336 ( -1.909 -30.498 10.124) 32.191 15.211 ( -5.718 3.389 -7.040) 9.682 ======================= Grid point 712 (272/489) ======================= q-point: ( 0.53 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 2.516 3.613 1.867) 4.782 3.397 ( 14.061 10.331 2.906) 17.689 3.700 ( 13.810 8.693 -3.601) 16.711 4.481 ( 1.771 2.786 -5.071) 6.051 5.366 ( -1.997 7.542 0.990) 7.864 5.977 ( -1.337 14.577 2.880) 14.919 8.897 ( -3.260 6.836 -3.017) 8.153 9.170 ( 16.055 14.189 -0.710) 21.438 10.437 ( -0.957 -7.934 -5.778) 9.862 10.693 ( 3.758 2.603 -0.949) 4.669 12.025 ( -3.094 -28.468 7.740) 29.663 15.077 ( -10.451 2.101 -5.636) 12.058 ======================= Grid point 713 (273/489) ======================= q-point: ( 0.59 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( 3.468 2.260 0.878) 4.231 3.746 ( 14.837 7.865 2.356) 16.957 4.058 ( 15.355 13.200 -3.289) 20.514 4.519 ( 2.726 0.182 -3.074) 4.112 5.377 ( -2.745 2.402 1.986) 4.153 6.060 ( -4.351 9.798 1.306) 10.800 8.929 ( -0.402 8.868 -2.089) 9.120 9.583 ( 14.584 12.083 0.753) 18.954 10.317 ( -3.219 -5.467 -5.084) 8.130 10.828 ( 8.427 4.363 -1.101) 9.554 11.733 ( -3.052 -22.872 6.033) 23.850 14.871 ( -12.353 -0.140 -4.060) 13.004 ======================= Grid point 714 (274/489) ======================= q-point: ( 0.65 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( 3.357 1.294 -0.093) 3.599 4.073 ( 13.162 7.905 0.927) 15.381 4.401 ( 6.448 12.745 0.740) 14.303 4.594 ( 8.301 3.028 -5.375) 10.342 5.341 ( -1.746 -2.790 3.485) 4.793 6.022 ( -7.611 2.757 0.279) 8.099 9.048 ( 3.705 9.644 -0.566) 10.347 9.862 ( 7.381 4.628 1.615) 8.861 10.183 ( -6.162 -2.632 -4.100) 7.855 11.051 ( 10.102 7.080 -2.437) 12.575 11.534 ( -0.299 -13.081 4.863) 13.959 14.645 ( -10.243 -3.065 -2.306) 10.938 ======================= Grid point 715 (275/489) ======================= q-point: ( 0.71 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( 2.421 0.946 -0.866) 2.739 4.337 ( 6.472 9.022 -1.779) 11.245 4.540 ( 4.067 3.568 5.568) 7.764 4.787 ( 2.475 10.994 -7.453) 13.510 5.318 ( 2.502 -2.949 3.304) 5.086 5.868 ( -7.699 -6.079 0.757) 9.839 9.217 ( 4.845 7.581 -0.063) 8.998 9.965 ( 0.900 0.836 1.559) 1.985 10.036 ( -3.379 -4.501 -2.555) 6.181 11.216 ( -0.714 8.359 0.044) 8.390 11.519 ( 5.205 -2.184 0.579) 5.674 14.471 ( -3.832 -5.180 -0.703) 6.482 ======================= Grid point 716 (276/489) ======================= q-point: (-0.24 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( 0.823 1.324 -1.021) 1.864 4.439 ( -1.521 6.170 -1.841) 6.616 4.673 ( -2.721 8.253 -0.413) 8.700 4.816 ( 4.095 -3.157 1.950) 5.526 5.341 ( -9.244 9.577 -2.916) 13.626 5.717 ( 5.273 -14.578 3.546) 15.902 9.308 ( -1.268 2.194 -0.319) 2.554 9.890 ( -4.968 1.358 0.882) 5.225 10.079 ( 9.226 -3.409 -1.236) 9.913 11.236 ( -4.045 5.097 2.526) 6.980 11.559 ( -2.782 2.781 -2.375) 4.595 14.426 ( 4.459 -4.295 -0.079) 6.192 ======================= Grid point 717 (277/489) ======================= q-point: (-0.18 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.055 ( -1.415 2.265 -0.395) 2.700 4.383 ( -11.799 3.223 -1.019) 12.274 4.570 ( -4.343 -4.018 -4.351) 7.344 4.963 ( 8.620 -0.932 5.627) 10.337 5.140 ( -17.107 5.956 -2.414) 18.274 5.780 ( 8.371 -5.068 2.017) 9.992 9.222 ( -8.683 0.468 -0.069) 8.696 9.848 ( -2.955 -0.122 1.885) 3.507 10.250 ( 13.300 0.040 -3.890) 13.857 11.189 ( -2.065 -7.115 0.962) 7.471 11.477 ( -9.962 7.872 0.591) 12.710 14.525 ( 9.463 -0.918 -0.902) 9.550 ======================= Grid point 718 (278/489) ======================= q-point: (-0.12 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( -4.252 3.432 0.680) 5.506 4.119 ( -16.981 -2.724 0.114) 17.199 4.384 ( -10.399 -9.598 -4.660) 14.899 4.936 ( -2.988 -0.210 -4.816) 5.671 5.135 ( 1.879 6.391 7.089) 9.728 5.842 ( 0.180 0.337 1.367) 1.419 9.064 ( -10.857 3.019 -0.407) 11.276 9.743 ( -9.803 -2.101 1.955) 10.215 10.492 ( 16.050 0.431 -7.817) 17.858 11.016 ( -3.826 -14.577 -0.581) 15.082 11.463 ( -1.111 7.325 5.948) 9.501 14.697 ( 9.694 2.101 -2.509) 10.231 ======================= Grid point 728 (279/489) ======================= q-point: ( 0.47 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( 0.000 3.223 2.100) 3.846 3.107 ( 0.000 10.736 2.530) 11.030 3.420 ( -0.000 4.818 -3.315) 5.848 4.454 ( -0.000 4.208 -5.842) 7.200 5.407 ( 0.000 9.680 0.676) 9.703 5.999 ( 0.000 16.831 3.149) 17.123 8.798 ( -0.000 11.197 -0.697) 11.219 9.008 ( -0.000 5.492 -6.547) 8.545 10.458 ( -0.000 -8.144 -4.749) 9.427 10.629 ( 0.000 2.564 0.750) 2.671 12.076 ( 0.000 -30.285 7.368) 31.168 15.279 ( -0.000 3.764 -5.731) 6.857 ======================= Grid point 729 (280/489) ======================= q-point: ( 0.53 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( 1.182 2.008 1.897) 3.005 3.288 ( 8.997 7.654 2.318) 12.037 3.545 ( 9.786 5.649 -2.951) 11.678 4.475 ( 0.553 2.158 -3.506) 4.154 5.471 ( -1.817 6.073 0.382) 6.351 6.158 ( -1.278 14.873 1.787) 15.034 8.978 ( 4.784 8.330 -1.633) 9.744 9.049 ( 5.073 7.818 -5.739) 10.945 10.377 ( -0.773 -5.066 -0.796) 5.186 10.675 ( 1.455 3.211 0.404) 3.548 11.795 ( -0.729 -28.034 4.904) 28.469 15.240 ( -6.632 3.235 -4.657) 8.726 ======================= Grid point 730 (281/489) ======================= q-point: ( 0.59 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( 2.495 1.382 2.089) 3.536 3.559 ( 14.070 4.821 2.001) 15.007 3.844 ( 18.011 7.341 -2.590) 19.621 4.494 ( 0.727 1.073 -1.182) 1.754 5.468 ( -3.850 2.831 0.543) 4.809 6.243 ( -4.165 10.345 0.137) 11.153 9.027 ( -1.832 8.288 -3.569) 9.208 9.381 ( 18.907 7.455 -1.142) 20.356 10.324 ( -1.820 -0.649 -0.171) 1.939 10.734 ( 3.461 -0.263 -0.005) 3.471 11.552 ( 0.236 -21.318 3.616) 21.624 15.089 ( -12.192 2.069 -3.655) 12.895 ======================= Grid point 731 (282/489) ======================= q-point: ( 0.65 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( 2.999 0.935 1.915) 3.679 3.870 ( 16.276 3.556 1.550) 16.732 4.263 ( 21.424 8.645 -2.553) 23.243 4.514 ( 0.798 0.446 0.591) 1.089 5.399 ( -5.645 -0.887 1.134) 5.826 6.211 ( -8.459 5.067 -1.260) 9.941 9.095 ( 1.030 8.338 -0.985) 8.459 9.722 ( 12.863 2.044 -0.258) 13.027 10.293 ( -5.222 4.859 -1.358) 7.261 10.824 ( 13.075 -5.329 -1.216) 14.171 11.426 ( 1.741 -9.942 3.932) 10.832 14.855 ( -14.981 0.648 -2.481) 15.199 ======================= Grid point 732 (283/489) ======================= q-point: ( 0.71 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( 2.845 0.762 1.287) 3.214 4.186 ( 15.859 2.883 0.796) 16.139 4.532 ( 0.641 0.747 3.310) 3.454 4.705 ( 19.042 9.377 -5.030) 21.813 5.272 ( -5.126 -5.628 2.676) 8.069 6.047 ( -13.022 0.425 -2.029) 13.186 9.209 ( 3.659 5.487 0.431) 6.609 9.858 ( 5.422 -2.470 -0.204) 5.962 10.190 ( -10.203 2.772 -0.702) 10.596 11.096 ( 19.037 0.623 -4.014) 19.466 11.417 ( 2.702 -3.481 5.114) 6.751 14.599 ( -13.358 -0.148 -1.083) 13.403 ======================= Grid point 733 (284/489) ======================= q-point: (-0.24 -0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.028 ( 2.336 1.103 0.607) 2.653 4.431 ( 7.385 1.742 -1.259) 7.691 4.593 ( 7.648 -2.355 5.836) 9.904 4.920 ( -7.102 7.059 -6.676) 12.035 5.272 ( 15.875 -5.632 4.178) 17.355 5.773 ( -16.767 -1.264 -2.223) 16.961 9.303 ( 3.261 -0.014 0.251) 3.271 9.916 ( 4.281 -2.288 -1.654) 5.128 10.048 ( -8.152 3.979 1.865) 9.261 11.285 ( 0.992 -0.464 -2.342) 2.586 11.513 ( 9.401 -0.735 2.222) 9.688 14.425 ( -6.206 1.155 0.058) 6.313 ======================= Grid point 734 (285/489) ======================= q-point: (-0.18 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.077 ( 1.351 1.995 0.256) 2.423 4.473 ( -0.660 -1.035 -0.484) 1.319 4.624 ( -4.707 -13.149 0.547) 13.977 4.863 ( 2.106 7.829 0.229) 8.110 5.407 ( -6.281 -12.907 0.504) 14.362 5.605 ( 5.189 11.737 -0.921) 12.866 9.316 ( -0.708 -1.245 0.043) 1.433 9.885 ( -2.639 -2.491 0.077) 3.630 10.095 ( 5.174 5.799 -0.000) 7.772 11.176 ( -5.940 -9.802 -0.354) 11.467 11.616 ( 0.579 1.376 0.335) 1.531 14.428 ( 3.021 4.596 0.013) 5.501 ======================= Grid point 735 (286/489) ======================= q-point: (-0.12 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( -0.456 3.224 0.308) 3.271 4.319 ( -12.750 -10.066 0.793) 16.264 4.398 ( -4.997 -9.317 -2.928) 10.971 4.929 ( -0.812 -3.574 -0.822) 3.756 5.237 ( -2.723 3.767 2.462) 5.260 5.816 ( 5.841 6.664 0.136) 8.862 9.268 ( -6.335 4.152 -0.122) 7.575 9.816 ( -2.491 -4.448 1.091) 5.213 10.267 ( 9.054 4.168 -2.956) 10.396 10.923 ( -6.085 -17.033 0.144) 18.088 11.584 ( -4.405 0.017 1.592) 4.684 14.588 ( 7.538 7.524 -1.017) 10.699 ======================= Grid point 746 (287/489) ======================= q-point: ( 0.53 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( 0.000 1.026 2.659) 2.850 3.278 ( 0.000 5.173 1.956) 5.530 3.497 ( -0.000 4.612 -2.325) 5.165 4.480 ( -0.000 1.531 -1.504) 2.146 5.541 ( 0.000 4.309 -0.170) 4.313 6.309 ( 0.000 11.993 0.371) 11.999 8.963 ( -0.000 6.061 -0.463) 6.078 9.091 ( -0.000 7.232 -6.425) 9.674 10.353 ( 0.000 -1.994 2.458) 3.164 10.703 ( 0.000 3.829 0.405) 3.850 11.539 ( 0.000 -25.830 2.101) 25.915 15.319 ( -0.000 3.174 -3.818) 4.965 ======================= Grid point 747 (288/489) ======================= q-point: ( 0.59 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( 1.342 0.748 3.732) 4.036 3.401 ( 8.669 2.782 1.707) 9.263 3.632 ( 11.246 4.272 -1.786) 12.162 4.497 ( 0.375 1.447 0.552) 1.594 5.551 ( -2.495 2.228 -0.489) 3.381 6.388 ( -2.204 7.586 -1.153) 7.983 9.120 ( 4.636 7.431 -0.238) 8.762 9.148 ( 7.223 4.741 -3.008) 9.149 10.350 ( -0.266 0.679 2.616) 2.715 10.720 ( -1.757 0.128 -0.305) 1.788 11.333 ( 2.515 -18.389 0.663) 18.572 15.274 ( -7.187 2.463 -3.147) 8.223 ======================= Grid point 748 (289/489) ======================= q-point: ( 0.65 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( 2.263 0.461 4.023) 4.639 3.628 ( 14.374 1.111 1.641) 14.509 3.941 ( 20.096 3.446 -1.694) 20.460 4.524 ( 0.315 1.752 2.434) 3.016 5.494 ( -5.222 -0.101 -0.624) 5.260 6.369 ( -5.542 2.895 -2.516) 6.741 9.175 ( -1.561 6.983 0.797) 7.200 9.463 ( 18.466 2.151 -0.360) 18.594 10.400 ( 2.228 6.484 0.769) 6.899 10.622 ( -2.477 -9.585 -1.238) 9.977 11.289 ( 5.438 -6.504 1.315) 8.579 15.109 ( -13.018 1.717 -2.358) 13.341 ======================= Grid point 749 (290/489) ======================= q-point: (-0.29 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( 2.667 0.037 3.279) 4.227 3.911 ( 17.037 -0.473 1.629) 17.121 4.347 ( 23.636 1.319 -2.470) 23.801 4.558 ( 0.560 2.527 4.415) 5.118 5.366 ( -7.914 -2.272 -0.772) 8.270 6.239 ( -9.601 -0.828 -3.356) 10.204 9.215 ( 0.104 1.976 2.133) 2.910 9.724 ( 9.841 0.155 -0.530) 9.857 10.396 ( -10.031 1.941 -0.362) 10.223 10.702 ( 21.286 -0.008 -1.715) 21.355 11.344 ( 4.076 -2.636 2.427) 5.427 14.866 ( -15.729 1.709 -1.202) 15.867 ======================= Grid point 750 (291/489) ======================= q-point: (-0.24 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( 2.987 -0.112 2.004) 3.599 4.192 ( 16.409 -3.246 1.458) 16.790 4.547 ( 1.234 -1.168 2.970) 3.422 4.801 ( 21.799 1.401 -0.638) 21.853 5.181 ( -9.623 -3.186 -0.719) 10.162 6.017 ( -12.753 -1.655 -3.416) 13.306 9.224 ( 2.223 -4.841 1.022) 5.424 9.835 ( 4.293 0.227 -1.360) 4.509 10.256 ( -9.075 4.202 2.574) 10.327 11.114 ( 20.360 5.145 -4.766) 21.534 11.361 ( 1.928 -6.228 4.038) 7.669 14.630 ( -13.385 3.454 0.227) 13.825 ======================= Grid point 751 (292/489) ======================= q-point: (-0.18 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.050 ( 3.265 0.292 0.729) 3.358 4.376 ( 9.820 -8.472 0.438) 12.977 4.528 ( -1.478 -5.686 4.428) 7.357 5.003 ( -7.907 1.871 -1.554) 8.273 5.127 ( 16.627 -6.486 -0.964) 17.873 5.801 ( -9.776 3.995 -2.351) 10.819 9.221 ( 4.894 -7.217 0.098) 8.721 9.869 ( 1.234 -2.393 -2.529) 3.694 10.207 ( -5.850 9.975 4.953) 12.580 11.199 ( -6.794 -6.850 -0.970) 9.696 11.484 ( 13.179 -2.017 -0.849) 13.359 14.515 ( -5.511 7.098 1.198) 9.066 ======================= Grid point 764 (293/489) ======================= q-point: ( 0.59 0.59 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( 0.000 0.456 5.468) 5.487 3.347 ( 0.000 0.973 1.419) 1.720 3.561 ( -0.000 2.637 -1.105) 2.860 4.515 ( 0.000 2.047 2.453) 3.195 5.587 ( -0.000 0.811 -1.151) 1.408 6.456 ( -0.000 3.281 -2.537) 4.147 9.044 ( 0.000 2.281 0.461) 2.328 9.227 ( 0.000 8.222 1.210) 8.311 10.355 ( 0.000 -1.508 1.642) 2.229 10.759 ( -0.000 1.348 -0.547) 1.454 11.143 ( -0.000 -11.767 -1.323) 11.841 15.350 ( -0.000 1.919 -2.817) 3.408 ======================= Grid point 765 (294/489) ======================= q-point: (-0.35 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( 1.051 -0.061 6.040) 6.131 3.431 ( 8.771 -0.699 1.413) 8.912 3.679 ( 11.555 1.146 -0.814) 11.640 4.552 ( 0.183 2.855 4.360) 5.215 5.557 ( -2.878 -0.975 -1.653) 3.459 6.435 ( -2.404 -1.339 -3.837) 4.722 9.175 ( 11.723 -0.173 0.180) 11.725 9.301 ( -0.707 7.307 5.735) 9.315 10.344 ( 2.346 -3.791 -0.693) 4.512 10.694 ( -6.638 0.333 -1.239) 6.761 11.142 ( 6.136 -0.831 -0.878) 6.254 15.294 ( -7.186 1.312 -2.421) 7.696 ======================= Grid point 766 (295/489) ======================= q-point: (-0.29 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( 1.793 -1.108 4.964) 5.392 3.626 ( 14.513 -2.456 1.661) 14.813 3.956 ( 20.028 -1.009 -0.971) 20.077 4.602 ( -0.118 3.516 6.095) 7.037 5.458 ( -5.713 -2.541 -2.298) 6.661 6.324 ( -5.142 -5.162 -4.707) 8.674 9.247 ( -1.656 -2.765 3.304) 4.616 9.505 ( 14.799 1.160 2.094) 14.992 10.374 ( 5.804 -4.709 -0.485) 7.489 10.627 ( -3.026 8.957 -0.857) 9.493 11.256 ( 5.110 2.037 -0.176) 5.504 15.127 ( -12.531 1.402 -1.609) 12.712 ======================= Grid point 767 (296/489) ======================= q-point: (-0.24 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( 2.708 -2.061 3.053) 4.572 3.866 ( 16.527 -5.242 1.714) 17.423 4.296 ( 21.405 -5.066 -1.002) 22.019 4.660 ( 0.811 3.830 7.312) 8.294 5.305 ( -7.732 -2.534 -3.309) 8.784 6.137 ( -7.424 -6.775 -4.734) 11.110 9.161 ( -1.936 -8.120 1.672) 8.513 9.710 ( 9.396 -3.704 -0.874) 10.138 10.409 ( -1.583 3.954 4.628) 6.289 10.833 ( 15.025 9.278 -1.892) 17.760 11.323 ( 0.318 0.833 -0.176) 0.909 14.907 ( -14.188 2.926 -0.215) 14.488 ======================= Grid point 768 (297/489) ======================= q-point: (-0.18 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( 3.932 -2.383 1.075) 4.722 4.068 ( 14.128 -10.150 1.259) 17.442 4.475 ( 5.978 -9.560 2.862) 11.633 4.805 ( 11.060 0.306 4.994) 12.140 5.150 ( -6.731 1.253 -5.116) 8.547 5.935 ( -6.726 -4.562 -3.672) 8.919 9.068 ( 2.111 -9.862 0.263) 10.088 9.766 ( 5.020 -7.367 -2.550) 9.272 10.448 ( -5.683 12.171 8.040) 15.655 11.172 ( 14.015 -6.746 2.197) 15.708 11.288 ( -2.563 7.677 -5.944) 10.042 14.732 ( -10.603 6.100 1.460) 12.319 ======================= Grid point 782 (298/489) ======================= q-point: (-0.35 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( 0.000 -0.929 7.052) 7.113 3.339 ( 0.000 -2.691 0.924) 2.845 3.581 ( -0.000 -0.186 -0.125) 0.224 4.603 ( 0.000 4.042 6.584) 7.726 5.558 ( -0.000 -2.587 -2.446) 3.560 6.404 ( -0.000 -6.104 -5.115) 7.964 9.061 ( 0.000 -1.218 1.213) 1.719 9.394 ( 0.000 2.646 8.762) 9.153 10.290 ( -0.000 -1.163 -1.331) 1.767 10.742 ( -0.000 -2.353 -1.293) 2.685 11.121 ( -0.000 9.265 -2.432) 9.579 15.358 ( -0.000 0.679 -2.506) 2.596 ======================= Grid point 783 (299/489) ======================= q-point: (-0.29 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( 0.442 -2.643 5.969) 6.543 3.387 ( 9.199 -4.703 1.030) 10.383 3.669 ( 10.854 -1.755 -0.003) 10.995 4.670 ( -0.240 4.753 8.708) 9.924 5.490 ( -2.818 -4.134 -3.341) 6.016 6.287 ( -1.805 -10.289 -6.071) 12.083 9.133 ( 8.722 -4.633 0.638) 9.896 9.392 ( -0.385 -5.079 6.676) 8.398 10.331 ( 1.011 7.133 2.505) 7.628 10.706 ( -0.287 -0.033 -0.656) 0.717 11.253 ( 2.149 12.380 -3.276) 12.986 15.297 ( -6.601 0.650 -2.211) 6.992 ======================= Grid point 784 (300/489) ======================= q-point: (-0.24 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.879 ( 1.584 -4.497 3.599) 5.973 3.542 ( 14.378 -7.234 1.292) 16.147 3.894 ( 17.998 -4.633 -0.216) 18.586 4.737 ( -0.941 4.403 10.265) 11.209 5.367 ( -4.828 -4.314 -4.403) 7.830 6.109 ( -2.940 -12.721 -6.287) 14.491 9.121 ( -2.201 -10.014 0.519) 10.266 9.436 ( 12.255 -9.727 0.770) 15.664 10.467 ( 2.523 10.881 6.205) 12.777 10.768 ( 4.209 5.239 2.458) 7.156 11.382 ( -0.619 12.242 -4.503) 13.058 15.148 ( -10.864 1.813 -1.181) 11.077 ======================= Grid point 785 (301/489) ======================= q-point: (-0.18 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.879 ( 3.478 -5.564 1.268) 6.683 3.714 ( 14.942 -11.187 0.894) 18.687 4.141 ( 17.159 -10.026 0.380) 19.877 4.793 ( -0.090 3.183 10.117) 10.606 5.233 ( -4.978 -1.486 -5.086) 7.270 5.914 ( -2.431 -12.324 -5.536) 13.727 8.967 ( -1.965 -10.558 -0.259) 10.742 9.520 ( 10.283 -13.629 -2.033) 17.194 10.653 ( 1.808 12.381 9.275) 15.575 10.933 ( 7.516 1.594 4.581) 8.945 11.442 ( -4.530 13.873 -7.775) 16.536 14.981 ( -11.214 4.314 0.665) 12.034 ======================= Grid point 800 (302/489) ======================= q-point: (-0.29 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( 0.000 -4.754 5.698) 7.421 3.244 ( -0.000 -7.406 0.131) 7.407 3.558 ( 0.000 -2.171 0.637) 2.263 4.754 ( 0.000 4.940 11.391) 12.416 5.452 ( -0.000 -5.715 -4.396) 7.210 6.154 ( -0.000 -14.862 -7.228) 16.526 8.999 ( 0.000 -6.121 1.097) 6.218 9.333 ( 0.000 -11.699 2.959) 12.068 10.477 ( 0.000 17.457 10.112) 20.175 10.667 ( -0.000 -3.800 -1.178) 3.978 11.383 ( -0.000 18.065 -5.802) 18.974 15.351 ( -0.000 0.410 -2.585) 2.617 ======================= Grid point 801 (303/489) ======================= q-point: (-0.24 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 0.077 -7.319 3.520) 8.122 3.247 ( 9.690 -10.083 0.249) 13.987 3.616 ( 9.262 -3.565 0.533) 9.939 4.828 ( -0.775 2.772 13.202) 13.512 5.359 ( -1.991 -5.745 -5.149) 7.967 5.961 ( -0.486 -17.597 -7.879) 19.286 8.988 ( 5.386 -10.149 -0.294) 11.493 9.207 ( 1.072 -12.902 0.123) 12.947 10.582 ( -2.334 4.706 3.036) 6.068 10.787 ( 4.892 14.411 12.338) 19.592 11.539 ( -1.242 18.854 -8.072) 20.547 15.299 ( -5.532 1.198 -2.237) 6.086 ======================= Grid point 802 (304/489) ======================= q-point: (-0.18 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 2.196 -9.085 1.136) 9.415 3.343 ( 13.980 -13.538 0.141) 19.461 3.779 ( 14.271 -6.735 0.288) 15.783 4.854 ( -1.233 -2.330 12.009) 12.295 5.262 ( -2.213 -2.484 -3.449) 4.792 5.756 ( 0.209 -17.333 -7.996) 19.089 8.900 ( -1.683 -10.917 -1.839) 11.198 9.178 ( 10.094 -14.978 -0.946) 18.087 10.640 ( 4.943 1.494 1.862) 5.489 11.045 ( -0.501 17.488 17.697) 24.886 11.652 ( -3.961 19.083 -11.204) 22.480 15.190 ( -8.513 3.147 -0.776) 9.109 ======================= Grid point 818 (305/489) ======================= q-point: (-0.24 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 0.000 -10.525 2.517) 10.821 3.042 ( -0.000 -12.799 -0.659) 12.816 3.507 ( 0.000 -3.476 0.789) 3.564 4.881 ( 0.000 -3.223 13.867) 14.237 5.297 ( -0.000 -6.856 -3.947) 7.911 5.753 ( -0.000 -17.972 -9.311) 20.240 8.820 ( -0.000 -12.433 0.242) 12.435 9.079 ( -0.000 -11.780 -2.618) 12.068 10.604 ( -0.000 -1.415 -0.292) 1.445 11.011 ( 0.000 23.767 21.414) 31.991 11.721 ( -0.000 20.840 -10.972) 23.552 15.350 ( -0.000 1.461 -2.803) 3.161 ======================= Grid point 819 (306/489) ======================= q-point: (-0.18 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 0.672 -13.034 0.463) 13.059 2.986 ( 9.421 -15.963 -0.766) 18.552 3.537 ( 7.378 -4.756 0.479) 8.791 4.840 ( -0.635 -11.064 9.551) 14.630 5.200 ( 1.345 -14.328 0.707) 14.408 5.583 ( -0.644 -7.753 -9.247) 12.084 8.732 ( 4.810 -15.051 -1.069) 15.837 8.964 ( 0.353 -9.170 -2.681) 9.560 10.604 ( 0.912 0.726 0.604) 1.313 11.316 ( -0.343 20.923 24.030) 31.864 11.874 ( -2.460 22.059 -13.966) 26.224 15.324 ( -4.141 2.751 -2.245) 5.455 ======================= Grid point 836 (307/489) ======================= q-point: (-0.18 -0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( -0.000 -16.945 -0.907) 16.969 2.729 ( -0.000 -18.121 -1.298) 18.167 3.431 ( 0.000 -4.491 0.341) 4.504 4.724 ( 0.000 -17.134 4.930) 17.829 4.945 ( -0.000 -30.849 0.650) 30.856 5.575 ( -0.000 5.877 -4.304) 7.285 8.520 ( -0.000 -17.173 -0.343) 17.176 8.892 ( -0.000 -3.927 -3.902) 5.536 10.617 ( 0.000 2.621 0.444) 2.658 11.594 ( 0.000 16.748 25.214) 30.269 12.085 ( -0.000 25.689 -14.183) 29.344 15.377 ( -0.000 3.099 -2.931) 4.266 ======================= Grid point 927 (308/489) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 0.000 -0.000 21.986) 21.986 0.681 ( 0.000 -0.000 21.986) 21.986 1.378 ( 0.000 -0.000 45.642) 45.642 3.027 ( -0.000 0.000 -2.771) 2.771 3.027 ( -0.000 0.000 -2.771) 2.771 6.809 ( -0.000 0.000 -12.219) 12.219 7.376 ( 0.000 -0.000 1.039) 1.039 7.376 ( 0.000 -0.000 1.039) 1.039 11.071 ( -0.000 0.000 -0.786) 0.786 11.071 ( -0.000 0.000 -0.786) 0.786 14.426 ( 0.000 -0.000 2.510) 2.510 14.727 ( -0.000 0.000 -1.133) 1.133 ======================= Grid point 928 (309/489) ======================= q-point: ( 0.24 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 15.850 9.151 16.129) 24.395 1.161 ( 20.366 11.759 20.835) 31.419 1.724 ( 21.611 12.477 31.520) 40.202 3.029 ( 1.358 0.784 -3.148) 3.517 3.163 ( 11.650 6.726 -2.049) 13.607 6.144 ( -16.381 -9.457 0.670) 18.927 7.443 ( 5.000 2.887 1.234) 5.904 8.888 ( 64.459 37.215 -37.513) 83.349 10.812 ( -16.195 -9.350 -4.834) 19.315 11.034 ( -2.861 -1.652 -0.833) 3.407 14.333 ( -8.512 -4.915 4.921) 10.992 14.939 ( 13.306 7.682 -10.578) 18.654 ======================= Grid point 929 (310/489) ======================= q-point: ( 0.29 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 20.953 12.097 10.148) 26.236 1.565 ( 10.974 6.336 24.604) 27.676 2.517 ( 37.653 21.739 10.370) 44.697 3.068 ( 2.906 1.678 -3.383) 4.765 3.518 ( 18.797 10.852 0.485) 21.710 5.906 ( -6.689 -3.862 -4.536) 8.957 7.610 ( 9.193 5.308 1.241) 10.688 9.528 ( -2.744 -1.584 -3.382) 4.635 10.681 ( 14.646 8.456 -30.743) 35.087 10.941 ( -4.821 -2.784 -0.827) 5.628 14.102 ( -13.196 -7.619 10.396) 18.446 15.101 ( 3.805 2.197 -14.627) 15.273 ======================= Grid point 930 (311/489) ======================= q-point: ( 0.35 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 11.960 6.905 17.354) 22.179 1.918 ( 21.013 12.132 6.786) 25.195 3.137 ( 3.957 2.285 -3.486) 5.747 3.402 ( 36.795 21.244 1.151) 42.503 3.990 ( 21.051 12.154 3.717) 24.590 5.760 ( -4.866 -2.809 -5.662) 7.977 7.866 ( 12.606 7.278 1.057) 14.594 9.194 ( -18.597 -10.737 3.729) 21.795 10.819 ( -5.303 -3.062 -0.729) 6.166 10.996 ( 15.298 8.832 -28.949) 33.913 13.804 ( -16.563 -9.563 15.561) 24.656 15.050 ( -2.893 -1.670 -15.422) 15.780 ======================= Grid point 931 (312/489) ======================= q-point: ( 0.41 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 13.813 7.975 9.583) 18.608 2.397 ( 18.887 10.905 4.783) 22.327 3.223 ( 4.374 2.525 -3.483) 6.135 4.164 ( 29.321 16.928 -6.435) 34.463 4.476 ( 19.471 11.242 6.683) 23.455 5.653 ( -2.754 -1.590 -2.906) 4.308 8.182 ( 14.380 8.302 0.689) 16.619 8.843 ( -11.625 -6.712 1.455) 13.502 10.707 ( -4.095 -2.364 -0.479) 4.752 11.123 ( 3.025 1.746 -22.342) 22.613 13.419 ( -22.185 -12.808 16.095) 30.253 14.934 ( -1.996 -1.152 -12.530) 12.740 ======================= Grid point 932 (313/489) ======================= q-point: ( 0.47 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 13.850 7.997 3.432) 16.357 2.806 ( 15.569 8.989 3.519) 18.319 3.310 ( 4.120 2.379 -3.393) 5.844 4.645 ( 14.345 8.282 -12.910) 21.000 4.911 ( 16.158 9.329 6.536) 19.769 5.658 ( 4.082 2.357 3.971) 6.163 8.510 ( 13.682 7.899 0.134) 15.799 8.696 ( -1.159 -0.669 -0.518) 1.435 10.639 ( -1.574 -0.909 -0.017) 1.817 11.025 ( -4.998 -2.886 -17.618) 18.539 12.872 ( -29.070 -16.784 11.153) 35.371 14.913 ( 2.645 1.527 -5.822) 6.574 ======================= Grid point 933 (314/489) ======================= q-point: ( 0.53 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( 11.588 6.690 -1.511) 13.466 3.128 ( 11.679 6.743 2.669) 13.747 3.385 ( 3.228 1.863 -3.192) 4.907 4.766 ( 1.727 0.997 -13.112) 13.263 5.237 ( 10.818 6.246 4.020) 13.122 5.859 ( 10.215 5.898 8.068) 14.290 8.782 ( 8.726 5.038 -2.285) 10.332 8.791 ( 10.617 6.129 -0.550) 12.271 10.635 ( 1.032 0.596 0.619) 1.343 10.827 ( -7.312 -4.222 -13.077) 15.565 12.189 ( -32.004 -18.478 6.412) 37.507 14.998 ( 4.996 2.885 -0.369) 5.781 ======================= Grid point 934 (315/489) ======================= q-point: ( 0.59 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.077 ( 7.427 4.288 -5.722) 10.309 3.356 ( 7.473 4.314 1.715) 8.797 3.435 ( 1.922 1.109 -2.528) 3.363 4.727 ( -0.591 -0.341 -9.480) 9.504 5.437 ( 5.939 3.429 2.126) 7.179 6.102 ( 7.652 4.418 8.224) 12.071 8.985 ( 6.540 3.776 -1.126) 7.635 9.060 ( 15.877 9.167 -4.577) 18.896 10.628 ( -7.233 -4.176 -7.902) 11.497 10.677 ( 1.946 1.123 1.195) 2.545 11.503 ( -27.717 -16.003 4.322) 32.296 15.114 ( 4.410 2.546 2.361) 5.613 ======================= Grid point 935 (316/489) ======================= q-point: ( 0.65 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 2.194 1.267 -8.606) 8.971 3.432 ( -0.248 -0.143 -2.602) 2.618 3.504 ( 3.734 2.156 1.753) 4.654 4.719 ( 2.477 1.430 -6.235) 6.860 5.523 ( 1.147 0.662 0.700) 1.498 6.235 ( 1.370 0.791 7.974) 8.129 9.086 ( 2.635 1.521 -1.338) 3.324 9.442 ( 17.689 10.213 -8.058) 21.957 10.404 ( -11.647 -6.725 -0.736) 13.469 10.713 ( 0.508 0.293 1.435) 1.550 11.053 ( -10.185 -5.880 2.719) 12.071 15.203 ( 2.426 1.401 3.571) 4.539 ======================= Grid point 936 (317/489) ======================= q-point: (-0.29 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.128 ( -2.764 -1.596 -8.974) 9.525 3.382 ( -3.489 -2.015 -1.949) 4.476 3.562 ( 0.900 0.519 1.255) 1.629 4.807 ( 6.667 3.849 -5.710) 9.584 5.495 ( -3.671 -2.120 0.693) 4.295 6.207 ( -6.076 -3.508 7.740) 10.447 9.098 ( -1.244 -0.718 -1.113) 1.817 9.627 ( -5.121 -2.957 -5.317) 7.952 10.295 ( 9.611 5.549 -2.263) 11.327 10.702 ( -1.834 -1.059 1.233) 2.450 11.037 ( 5.931 3.424 2.779) 7.391 15.249 ( 0.706 0.408 4.397) 4.472 ======================= Grid point 937 (318/489) ======================= q-point: (-0.24 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( -6.898 -3.983 -6.936) 10.562 3.255 ( -7.284 -4.206 -1.002) 8.471 3.558 ( -1.345 -0.777 0.635) 1.678 4.966 ( 8.348 4.819 -9.310) 13.401 5.370 ( -7.335 -4.235 3.363) 9.113 6.005 ( -13.523 -7.808 7.787) 17.450 9.016 ( -5.858 -3.382 -0.561) 6.788 9.339 ( -14.786 -8.537 2.077) 17.199 10.648 ( -2.707 -1.563 0.667) 3.196 10.707 ( 23.811 13.747 -12.491) 30.199 11.272 ( 12.481 7.206 5.168) 15.310 15.274 ( 0.445 0.257 5.136) 5.162 ======================= Grid point 938 (319/489) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( -10.799 -6.235 -3.438) 12.934 3.039 ( -11.506 -6.643 0.062) 13.286 3.510 ( -2.894 -1.671 0.095) 3.343 5.007 ( -5.465 -3.155 -11.936) 13.501 5.265 ( -1.515 -0.875 2.414) 2.981 5.661 ( -16.737 -9.663 9.872) 21.701 8.821 ( -11.041 -6.375 0.028) 12.749 9.047 ( -10.813 -6.243 3.983) 13.105 10.603 ( -0.913 -0.527 0.002) 1.055 11.217 ( 23.992 13.852 -21.466) 35.047 11.616 ( 15.442 8.916 10.964) 20.932 15.313 ( 1.617 0.933 5.051) 5.385 ======================= Grid point 945 (320/489) ======================= q-point: ( 0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 0.000 19.078 15.700) 24.707 1.198 ( 0.000 28.795 17.438) 33.664 1.812 ( 0.000 18.283 34.110) 38.701 3.040 ( -0.000 2.551 -3.082) 4.001 3.128 ( -0.000 11.919 -2.539) 12.186 6.143 ( -0.000 -19.844 -0.615) 19.854 7.426 ( 0.000 4.962 1.047) 5.072 8.761 ( -0.000 70.132 -31.413) 76.846 10.860 ( -0.000 -12.258 -6.137) 13.708 11.032 ( -0.000 -3.339 -0.853) 3.446 14.334 ( 0.000 -11.274 5.072) 12.362 14.897 ( -0.000 13.331 -8.934) 16.048 ======================= Grid point 946 (321/489) ======================= q-point: ( 0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 8.397 22.152 11.600) 26.378 1.593 ( 6.784 14.998 23.487) 28.682 2.313 ( 19.867 30.895 15.320) 39.798 3.062 ( 0.563 4.164 -3.315) 5.352 3.373 ( 11.889 15.176 -0.509) 19.285 5.936 ( -4.753 -8.478 -4.279) 10.620 7.548 ( 5.834 7.554 1.204) 9.620 9.395 ( 15.052 16.957 -12.879) 26.076 10.644 ( -7.276 4.839 -20.407) 22.199 10.979 ( -1.846 -2.611 -2.030) 3.788 14.175 ( -5.224 -14.843 8.860) 18.059 15.030 ( 3.938 7.485 -13.045) 15.547 ======================= Grid point 947 (322/489) ======================= q-point: ( 0.35 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 13.630 21.326 8.238) 26.617 1.886 ( 5.874 10.612 20.845) 24.117 3.088 ( 28.426 30.053 2.393) 41.436 3.122 ( 2.022 5.959 -3.428) 7.166 3.796 ( 17.943 15.676 3.132) 24.031 5.782 ( -4.000 -4.580 -6.073) 8.594 7.774 ( 9.238 10.645 1.292) 14.153 9.355 ( -11.826 -14.603 4.537) 19.331 10.710 ( 7.833 6.520 -20.198) 22.623 10.935 ( -0.802 6.609 -11.348) 13.157 13.933 ( -8.666 -16.861 13.549) 23.302 15.047 ( -2.043 2.086 -15.094) 15.373 ======================= Grid point 948 (323/489) ======================= q-point: ( 0.41 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 8.344 10.444 13.368) 18.905 2.285 ( 14.205 19.752 6.026) 25.065 3.207 ( 2.107 6.856 -3.401) 7.938 3.848 ( 27.564 23.606 -5.330) 36.680 4.286 ( 19.178 14.314 6.528) 24.805 5.668 ( -2.782 -2.610 -4.669) 6.029 8.076 ( 11.236 13.364 1.259) 17.505 8.986 ( -13.785 -11.361 3.097) 18.129 10.721 ( -0.740 -4.032 -2.515) 4.810 11.016 ( 3.990 6.394 -22.118) 23.367 13.617 ( -13.428 -19.095 15.553) 28.050 14.945 ( -4.419 0.751 -13.927) 14.631 ======================= Grid point 949 (324/489) ======================= q-point: ( 0.47 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 10.448 9.723 6.582) 15.716 2.719 ( 12.208 18.147 4.427) 22.315 3.302 ( 1.752 7.646 -3.360) 8.534 4.419 ( 19.086 13.329 -10.984) 25.740 4.754 ( 16.737 12.085 7.115) 21.836 5.632 ( 1.580 0.734 0.447) 1.798 8.416 ( 11.008 14.781 1.108) 18.463 8.737 ( -6.093 -4.235 0.993) 7.486 10.662 ( -1.748 -1.155 -0.618) 2.184 10.989 ( -1.354 -2.722 -18.608) 18.855 13.163 ( -21.608 -21.149 11.868) 32.481 14.875 ( 0.022 1.131 -8.060) 8.139 ======================= Grid point 950 (325/489) ======================= q-point: ( 0.53 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 10.507 7.709 1.017) 13.071 3.085 ( 8.682 16.601 3.206) 19.007 3.393 ( 0.785 7.993 -3.196) 8.644 4.676 ( 6.418 3.550 -13.021) 14.944 5.123 ( 12.080 8.058 5.001) 15.358 5.767 ( 9.035 4.993 6.032) 11.956 8.692 ( 5.108 3.223 0.446) 6.056 8.751 ( 6.779 13.750 -0.355) 15.334 10.642 ( -0.679 1.168 -0.016) 1.351 10.833 ( -4.353 -5.978 -14.477) 16.256 12.545 ( -28.492 -20.702 6.471) 35.809 14.917 ( 5.155 0.345 -1.693) 5.437 ======================= Grid point 951 (326/489) ======================= q-point: ( 0.59 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.966 ( 8.339 4.801 -3.784) 10.340 3.362 ( 4.283 14.886 2.136) 15.636 3.464 ( -0.648 8.036 -2.730) 8.512 4.697 ( 0.404 0.099 -10.662) 10.671 5.363 ( 7.636 3.844 3.276) 9.156 6.016 ( 10.089 4.438 7.449) 13.302 8.876 ( 12.245 5.890 -1.965) 13.730 8.994 ( 3.530 14.492 -0.463) 14.923 10.616 ( -1.810 -5.320 -5.769) 8.054 10.699 ( -2.059 0.922 -3.431) 4.106 11.863 ( -29.566 -16.321 3.437) 33.946 15.022 ( 7.099 -1.462 1.864) 7.484 ======================= Grid point 952 (327/489) ======================= q-point: ( 0.65 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.091 ( 4.440 1.527 -7.511) 8.858 3.499 ( -2.952 8.836 -3.022) 9.794 3.549 ( 0.184 11.909 2.189) 12.110 4.677 ( 1.121 0.780 -7.393) 7.518 5.487 ( 3.668 0.126 1.680) 4.037 6.208 ( 5.640 0.953 7.618) 9.526 9.146 ( -1.162 12.881 -0.687) 12.952 9.196 ( 17.290 7.256 -5.307) 19.488 10.494 ( -4.488 -4.491 -4.671) 7.882 10.671 ( -1.282 -4.070 2.143) 4.775 11.309 ( -20.854 -4.361 1.957) 21.395 15.126 ( 6.445 -3.333 3.299) 7.970 ======================= Grid point 953 (328/489) ======================= q-point: (-0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.102 ( 0.017 -1.452 -8.798) 8.917 3.494 ( -6.095 7.662 -2.802) 10.184 3.641 ( -3.233 10.328 1.793) 10.969 4.721 ( 4.640 2.565 -6.095) 8.078 5.505 ( -0.275 -3.155 1.099) 3.352 6.262 ( -1.124 -3.022 7.601) 8.257 9.198 ( -5.306 9.593 -1.098) 11.018 9.516 ( 12.560 2.228 -8.040) 15.078 10.313 ( -8.009 -1.545 1.388) 8.274 10.645 ( 4.485 -5.317 1.828) 7.192 11.114 ( -6.299 7.477 0.836) 9.812 15.194 ( 4.828 -4.554 3.908) 7.702 ======================= Grid point 954 (329/489) ======================= q-point: (-0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.016 ( -3.874 -3.590 -7.400) 9.092 3.418 ( -9.970 6.003 -2.103) 11.826 3.658 ( -5.838 8.305 1.095) 10.210 4.840 ( 7.611 3.623 -8.112) 11.699 5.428 ( -3.936 -5.477 2.524) 7.201 6.153 ( -8.770 -6.615 7.588) 13.351 9.146 ( -8.553 4.276 -0.673) 9.586 9.476 ( -9.517 -7.387 -1.756) 12.175 10.412 ( 14.300 7.234 -5.607) 16.978 10.696 ( 2.420 2.210 0.351) 3.296 11.193 ( 5.576 8.142 2.608) 10.207 15.233 ( 3.756 -4.624 4.284) 7.337 ======================= Grid point 955 (330/489) ======================= q-point: (-0.18 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( -7.545 -4.994 -4.354) 10.041 3.252 ( -14.347 3.396 -0.828) 14.767 3.618 ( -7.304 6.155 0.250) 9.555 4.955 ( 4.233 1.081 -13.334) 14.032 5.307 ( -4.077 -4.585 5.781) 8.430 5.884 ( -15.777 -9.240 8.192) 20.035 8.985 ( -11.502 -1.543 0.473) 11.614 9.198 ( -13.116 -5.544 1.842) 14.359 10.600 ( 1.844 -0.330 -1.135) 2.190 10.921 ( 18.024 14.064 -14.970) 27.327 11.464 ( 14.373 7.248 7.624) 17.811 15.269 ( 3.877 -3.560 4.059) 6.647 ======================= Grid point 963 (331/489) ======================= q-point: ( 0.29 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 0.000 22.388 9.969) 24.508 1.779 ( 0.000 16.610 22.422) 27.904 2.540 ( 0.000 38.459 11.192) 40.054 3.086 ( -0.000 4.112 -3.450) 5.367 3.448 ( 0.000 20.399 0.355) 20.402 5.872 ( -0.000 -8.248 -5.264) 9.784 7.587 ( 0.000 10.553 1.157) 10.616 9.391 ( -0.000 6.971 -3.469) 7.786 10.731 ( -0.000 11.758 -27.668) 30.063 10.933 ( -0.000 -5.822 -0.850) 5.884 14.072 ( 0.000 -19.471 10.546) 22.144 15.042 ( -0.000 8.419 -13.097) 15.569 ======================= Grid point 964 (332/489) ======================= q-point: ( 0.35 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 8.014 22.596 7.838) 25.224 2.008 ( 1.603 12.616 20.429) 24.064 3.074 ( 13.068 37.954 1.441) 40.167 3.139 ( 2.047 5.797 -3.522) 7.085 3.749 ( 9.176 21.451 3.691) 23.622 5.765 ( -2.021 -5.454 -6.135) 8.454 7.763 ( 5.981 13.216 1.325) 14.567 9.350 ( -3.444 -13.305 5.362) 14.752 10.702 ( -4.096 8.488 -20.030) 22.136 10.931 ( 3.254 2.779 -11.638) 12.400 13.876 ( -3.058 -22.043 13.509) 26.033 15.065 ( -1.203 5.272 -14.380) 15.363 ======================= Grid point 965 (333/489) ======================= q-point: ( 0.41 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 3.312 11.393 14.627) 18.834 2.301 ( 11.670 22.218 6.320) 25.880 3.236 ( 2.686 7.747 -3.360) 8.861 3.690 ( 18.595 29.522 -6.016) 35.405 4.181 ( 14.167 20.219 7.048) 25.675 5.667 ( -2.075 -3.018 -5.136) 6.308 8.052 ( 9.613 16.255 1.685) 18.960 9.086 ( -10.622 -13.813 4.125) 17.907 10.665 ( 0.391 -1.077 -7.097) 7.189 10.973 ( 1.568 4.461 -18.318) 18.918 13.614 ( -6.328 -24.166 15.204) 29.244 15.004 ( -4.983 3.084 -14.195) 15.357 ======================= Grid point 966 (334/489) ======================= q-point: ( 0.47 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 5.876 10.426 8.565) 14.717 2.740 ( 11.437 21.699 5.118) 25.057 3.355 ( 2.026 9.929 -3.405) 10.690 4.216 ( 17.459 17.217 -9.368) 26.249 4.645 ( 14.394 17.382 6.609) 23.516 5.620 ( 0.230 0.236 -1.424) 1.461 8.409 ( 10.416 18.725 2.169) 21.536 8.816 ( -8.443 -6.629 1.634) 10.858 10.650 ( 1.210 -1.384 -2.623) 3.204 10.928 ( -1.505 -2.569 -17.056) 17.314 13.258 ( -12.130 -25.711 13.129) 31.314 14.899 ( -4.488 2.024 -10.541) 11.634 ======================= Grid point 967 (335/489) ======================= q-point: ( 0.53 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 7.404 8.435 3.326) 11.706 3.144 ( 8.855 21.165 4.151) 23.316 3.475 ( 0.596 11.655 -3.393) 12.154 4.542 ( 10.113 6.453 -10.790) 16.135 5.028 ( 11.171 11.326 4.293) 16.478 5.698 ( 6.000 4.424 3.648) 8.299 8.673 ( 0.184 1.414 1.833) 2.322 8.805 ( 6.987 19.024 0.882) 20.286 10.666 ( 0.666 2.128 -0.928) 2.416 10.778 ( -3.302 -7.639 -14.619) 16.821 12.764 ( -19.845 -24.566 7.922) 32.558 14.849 ( 0.665 -0.250 -4.569) 4.624 ======================= Grid point 968 (336/489) ======================= q-point: ( 0.59 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( 7.012 5.579 -1.311) 9.056 3.481 ( 4.694 20.417 3.507) 21.241 3.581 ( -1.319 12.957 -3.315) 13.439 4.644 ( 2.701 1.217 -10.245) 10.665 5.283 ( 7.729 5.157 3.463) 9.916 5.905 ( 9.737 4.428 5.850) 12.192 8.756 ( 6.956 4.403 0.070) 8.232 9.118 ( 3.925 20.981 1.356) 21.388 10.578 ( -3.866 -8.073 -9.050) 12.729 10.723 ( 0.738 3.802 -2.126) 4.418 12.170 ( -24.534 -19.449 3.396) 31.491 14.881 ( 5.649 -3.718 0.035) 6.763 ======================= Grid point 969 (337/489) ======================= q-point: ( 0.65 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.009 ( 4.801 2.561 -5.186) 7.517 3.661 ( -3.423 13.136 -2.736) 13.848 3.728 ( -0.588 19.864 2.677) 20.052 4.645 ( 0.801 0.754 -7.881) 7.958 5.422 ( 4.426 0.187 2.248) 4.968 6.113 ( 8.450 0.594 6.497) 10.675 8.986 ( 13.004 6.445 -1.955) 14.645 9.344 ( -1.699 19.531 0.810) 19.621 10.441 ( 0.201 -6.866 -5.719) 8.938 10.728 ( -4.770 1.455 0.464) 5.009 11.622 ( -21.356 -8.732 0.602) 23.080 14.953 ( 8.009 -6.851 2.255) 10.778 ======================= Grid point 970 (338/489) ======================= q-point: ( 0.71 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.056 ( 1.424 0.089 -7.227) 7.367 3.698 ( -6.358 12.916 -3.059) 14.718 3.874 ( -5.450 18.403 2.729) 19.386 4.662 ( 2.569 1.858 -6.290) 7.044 5.459 ( 1.586 -3.978 1.316) 4.480 6.229 ( 3.869 -3.555 6.811) 8.602 9.268 ( 12.466 3.440 -5.269) 13.964 9.452 ( -5.298 16.132 0.543) 16.989 10.428 ( 2.168 0.643 -1.304) 2.610 10.563 ( -8.915 -6.302 2.698) 11.246 11.330 ( -10.626 4.349 -1.300) 11.555 15.024 ( 8.159 -8.698 3.022) 12.302 ======================= Grid point 971 (339/489) ======================= q-point: (-0.24 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( -2.127 -1.464 -6.735) 7.213 3.671 ( -9.938 11.370 -2.952) 15.387 3.925 ( -9.558 16.461 2.203) 19.161 4.733 ( 5.436 2.598 -7.023) 9.254 5.414 ( -0.846 -6.756 1.944) 7.081 6.211 ( -2.667 -6.719 6.829) 9.945 9.306 ( -5.138 -2.422 -2.781) 6.325 9.545 ( -2.525 8.295 -1.726) 8.841 10.372 ( -3.201 6.215 -0.395) 7.002 10.602 ( 9.655 1.334 1.723) 9.898 11.265 ( -3.833 6.593 -1.134) 7.710 15.080 ( 7.461 -8.887 3.130) 12.019 ======================= Grid point 972 (340/489) ======================= q-point: (-0.18 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( -5.459 -2.254 -4.360) 7.341 3.558 ( -14.096 8.697 -1.951) 16.677 3.888 ( -12.379 13.285 1.046) 18.189 4.837 ( 6.169 1.831 -10.531) 12.342 5.324 ( -2.244 -6.844 4.529) 8.508 6.046 ( -10.061 -8.555 6.853) 14.879 9.122 ( -8.761 -7.238 0.128) 11.365 9.438 ( -14.722 4.039 0.388) 15.270 10.524 ( 8.448 8.467 -5.517) 13.172 10.795 ( 7.570 7.664 -3.088) 11.206 11.344 ( 7.587 4.838 3.105) 9.519 15.130 ( 7.041 -7.609 2.583) 10.684 ======================= Grid point 981 (341/489) ======================= q-point: ( 0.35 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 0.000 21.671 6.263) 22.558 2.182 ( 0.000 11.759 17.888) 21.407 3.155 ( -0.000 4.984 -3.773) 6.251 3.357 ( -0.000 38.576 -3.283) 38.715 3.928 ( 0.000 25.869 6.412) 26.652 5.711 ( -0.000 -4.467 -5.884) 7.387 7.854 ( 0.000 15.263 1.106) 15.303 9.267 ( 0.000 -13.886 6.411) 15.294 10.802 ( -0.000 -6.561 -0.666) 6.595 10.827 ( -0.000 11.942 -29.517) 31.841 13.710 ( 0.000 -24.999 14.814) 29.059 15.091 ( -0.000 5.962 -14.074) 15.284 ======================= Grid point 982 (342/489) ======================= q-point: ( 0.41 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 1.727 11.899 11.685) 16.766 2.355 ( 7.417 19.365 6.759) 21.811 3.231 ( 3.952 5.976 -3.660) 8.045 3.754 ( 7.046 30.467 -7.763) 32.221 4.272 ( 5.727 27.257 8.277) 29.056 5.650 ( -0.962 -2.180 -4.612) 5.191 8.078 ( 6.786 17.217 1.227) 18.547 9.104 ( -5.356 -12.525 4.228) 14.263 10.668 ( -4.193 -1.862 -6.105) 7.637 10.894 ( 4.200 1.123 -18.359) 18.866 13.478 ( -2.472 -27.252 15.370) 31.385 15.075 ( -3.404 4.982 -13.561) 14.843 ======================= Grid point 983 (343/489) ======================= q-point: ( 0.47 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 2.455 9.399 8.343) 12.805 2.758 ( 12.457 20.056 4.618) 24.057 3.375 ( 5.419 8.301 -3.620) 10.553 4.126 ( 10.230 18.859 -8.218) 22.975 4.677 ( 7.841 24.080 5.895) 26.002 5.622 ( -0.192 1.385 -1.640) 2.155 8.423 ( 10.981 19.317 1.880) 22.300 8.894 ( -7.580 -6.764 1.143) 10.223 10.605 ( 0.424 -1.221 -3.844) 4.055 10.862 ( 0.124 -4.449 -14.453) 15.122 13.177 ( -5.792 -28.964 13.834) 32.616 14.991 ( -6.377 3.654 -11.477) 13.628 ======================= Grid point 984 (344/489) ======================= q-point: ( 0.53 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 4.405 7.744 4.218) 9.858 3.186 ( 12.194 19.664 4.410) 23.555 3.546 ( 4.197 11.541 -3.905) 12.887 4.411 ( 9.528 8.385 -7.566) 14.776 5.018 ( 6.554 15.887 2.617) 17.384 5.679 ( 2.916 5.747 2.203) 6.811 8.718 ( -2.305 2.068 1.693) 3.529 8.862 ( 9.199 18.891 0.768) 21.026 10.623 ( 3.294 -0.622 -5.001) 6.020 10.734 ( -3.232 -5.902 -9.344) 11.515 12.787 ( -10.700 -28.569 9.955) 32.090 14.877 ( -5.514 1.291 -7.428) 9.340 ======================= Grid point 985 (345/489) ======================= q-point: ( 0.59 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( 5.084 5.447 0.595) 7.474 3.578 ( 9.114 18.457 4.682) 21.111 3.718 ( 1.642 15.675 -4.287) 16.333 4.564 ( 5.187 2.296 -7.638) 9.514 5.239 ( 5.242 7.553 2.448) 9.514 5.831 ( 5.884 5.869 3.885) 9.174 8.728 ( 1.798 4.514 0.540) 4.888 9.244 ( 7.854 21.967 2.303) 23.442 10.521 ( -3.408 -9.688 -10.160) 14.447 10.737 ( 2.802 5.798 -1.230) 6.556 12.316 ( -15.721 -24.211 5.228) 29.337 14.796 ( -1.018 -2.778 -2.927) 4.162 ======================= Grid point 986 (346/489) ======================= q-point: ( 0.65 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( 4.217 3.072 -2.605) 5.832 3.830 ( 0.160 14.213 -0.669) 14.230 3.935 ( 2.466 21.875 1.474) 22.063 4.610 ( 1.793 1.114 -7.175) 7.479 5.367 ( 3.390 1.458 2.321) 4.360 5.994 ( 7.181 0.755 4.534) 8.526 8.874 ( 7.685 7.367 0.007) 10.646 9.551 ( 2.157 19.866 2.286) 20.113 10.351 ( -1.512 -8.864 -6.528) 11.111 10.829 ( -1.083 7.347 -0.682) 7.458 11.841 ( -16.593 -14.752 1.131) 22.232 14.769 ( 4.175 -7.345 0.235) 8.452 ======================= Grid point 987 (347/489) ======================= q-point: ( 0.71 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.012 ( 2.161 1.263 -4.761) 5.379 3.930 ( -4.581 15.250 -2.533) 16.123 4.162 ( -2.516 21.101 3.878) 21.602 4.627 ( 1.453 2.057 -6.546) 7.014 5.397 ( 0.943 -3.610 1.118) 3.895 6.110 ( 6.648 -4.889 5.401) 9.862 9.106 ( 10.156 6.758 -1.729) 12.321 9.702 ( -4.783 13.369 1.141) 14.244 10.295 ( 5.706 -5.301 -1.795) 7.992 10.787 ( -11.709 5.837 1.420) 13.160 11.524 ( -10.075 -1.225 -2.408) 10.431 14.789 ( 7.835 -10.540 1.696) 13.242 ======================= Grid point 988 (348/489) ======================= q-point: (-0.24 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( -0.544 0.316 -5.118) 5.157 3.955 ( -8.852 14.374 -2.935) 17.134 4.284 ( -8.437 19.692 3.968) 21.788 4.667 ( 2.677 3.005 -6.574) 7.708 5.348 ( 0.033 -7.675 0.971) 7.736 6.150 ( 3.300 -8.374 5.749) 10.680 9.269 ( 3.120 -0.270 -3.378) 4.606 9.710 ( -4.440 8.392 0.855) 9.533 10.387 ( 7.846 -5.682 0.536) 9.702 10.661 ( -10.433 15.851 2.477) 19.137 11.403 ( -6.359 3.576 -3.551) 8.114 14.835 ( 9.497 -11.311 1.904) 14.892 ======================= Grid point 989 (349/489) ======================= q-point: (-0.18 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( -3.456 0.093 -3.691) 5.057 3.886 ( -13.157 11.483 -2.447) 17.634 4.281 ( -14.075 16.438 2.115) 21.744 4.733 ( 4.203 2.595 -7.985) 9.389 5.274 ( 0.484 -8.480 3.094) 9.040 6.088 ( -2.495 -9.317 5.520) 11.113 9.175 ( -6.736 -6.705 -1.317) 9.595 9.701 ( -8.029 5.223 1.117) 9.643 10.455 ( 6.916 2.741 -4.902) 8.910 10.807 ( 2.133 17.183 3.451) 17.655 11.330 ( -2.244 0.447 -1.702) 2.852 14.901 ( 9.778 -9.887 1.150) 13.953 ======================= Grid point 999 (350/489) ======================= q-point: ( 0.41 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 0.000 8.984 10.088) 13.509 2.487 ( 0.000 19.171 4.037) 19.592 3.232 ( -0.000 5.216 -3.902) 6.514 3.955 ( -0.000 25.181 -8.452) 26.562 4.543 ( 0.000 29.849 7.728) 30.833 5.635 ( -0.000 0.316 -3.086) 3.102 8.189 ( 0.000 17.412 0.617) 17.422 9.052 ( 0.000 -9.306 2.255) 9.575 10.680 ( -0.000 -4.981 -0.195) 4.984 10.777 ( -0.000 -0.642 -20.110) 20.120 13.266 ( 0.000 -29.390 14.975) 32.985 15.120 ( -0.000 5.639 -12.480) 13.695 ======================= Grid point 1000 (351/489) ======================= q-point: ( 0.47 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 0.610 7.527 6.409) 9.905 2.763 ( 9.053 17.586 3.579) 20.101 3.326 ( 5.859 5.916 -3.788) 9.147 4.173 ( 3.321 17.198 -7.213) 18.943 4.868 ( 2.072 26.104 4.557) 26.579 5.649 ( -0.120 4.691 -0.531) 4.722 8.438 ( 8.317 17.746 0.628) 19.609 8.942 ( -4.363 -4.675 -0.880) 6.455 10.596 ( -2.391 -2.087 -3.166) 4.483 10.740 ( 2.905 -5.852 -11.205) 12.971 12.990 ( -2.449 -31.016 13.260) 33.821 15.098 ( -4.564 5.109 -10.854) 12.835 ======================= Grid point 1001 (352/489) ======================= q-point: ( 0.53 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( 2.275 6.092 3.650) 7.457 3.145 ( 13.834 16.018 3.675) 21.481 3.516 ( 9.029 8.425 -4.029) 12.989 4.354 ( 4.766 9.070 -5.242) 11.509 5.127 ( 1.440 17.289 1.185) 17.389 5.730 ( 0.839 9.799 2.016) 10.039 8.778 ( 3.632 9.041 0.804) 9.777 8.869 ( 5.255 10.204 -2.121) 11.672 10.551 ( 0.441 -3.561 -5.055) 6.199 10.684 ( 0.710 -3.738 -4.960) 6.251 12.653 ( -5.099 -31.160 10.387) 33.240 14.999 ( -8.004 3.496 -8.393) 12.112 ======================= Grid point 1002 (353/489) ======================= q-point: ( 0.59 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( 3.490 4.489 1.559) 5.896 3.550 ( 13.866 13.547 4.163) 19.827 3.767 ( 8.844 13.771 -4.595) 16.999 4.481 ( 4.690 3.012 -3.956) 6.836 5.275 ( 0.941 8.806 0.901) 8.902 5.861 ( 1.011 10.094 2.327) 10.408 8.776 ( -1.537 5.266 -1.251) 5.627 9.271 ( 13.694 18.964 1.147) 23.420 10.450 ( -2.417 -8.635 -7.019) 11.387 10.724 ( 4.256 4.569 -0.974) 6.320 12.271 ( -7.784 -28.256 6.968) 30.125 14.854 ( -8.199 0.445 -5.284) 9.765 ======================= Grid point 1003 (354/489) ======================= q-point: ( 0.65 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( 3.466 2.894 -0.367) 4.530 3.885 ( 9.107 11.242 2.005) 14.606 4.063 ( 7.176 19.391 -1.724) 20.748 4.556 ( 3.540 0.943 -4.237) 5.601 5.354 ( 1.242 2.536 2.041) 3.484 5.955 ( 0.566 4.315 1.862) 4.734 8.860 ( 3.428 8.454 -0.306) 9.128 9.650 ( 8.453 16.362 1.946) 18.519 10.288 ( -3.616 -8.271 -5.492) 10.566 10.877 ( 5.083 8.719 -1.136) 10.156 11.892 ( -9.085 -20.734 3.567) 22.916 14.709 ( -4.781 -3.961 -2.251) 6.604 ======================= Grid point 1004 (355/489) ======================= q-point: ( 0.71 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( 2.419 1.761 -2.015) 3.607 4.102 ( 2.010 13.442 -1.223) 13.646 4.357 ( 4.217 17.777 4.169) 18.740 4.605 ( 2.163 3.085 -6.367) 7.399 5.374 ( -0.391 -1.673 1.378) 2.202 5.983 ( 2.326 -4.148 2.732) 5.485 9.041 ( 6.680 9.211 -0.151) 11.379 9.868 ( -0.156 9.911 1.398) 10.010 10.158 ( 0.898 -7.483 -2.686) 8.001 11.011 ( -2.317 10.963 0.431) 11.213 11.614 ( -5.954 -7.997 -0.553) 9.985 14.609 ( 0.900 -8.312 -0.074) 8.360 ======================= Grid point 1005 (356/489) ======================= q-point: ( 0.76 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.012 ( 0.720 1.366 -2.831) 3.225 4.214 ( -4.444 14.260 -2.203) 15.098 4.544 ( -1.168 9.434 4.568) 10.547 4.680 ( 1.682 10.996 -4.867) 12.142 5.307 ( -3.720 -4.612 -0.841) 5.984 5.985 ( 5.419 -10.725 4.224) 12.737 9.224 ( 4.294 5.758 -1.139) 7.273 9.852 ( -5.840 3.026 0.320) 6.585 10.183 ( 8.229 -6.092 0.011) 10.239 11.023 ( -9.588 14.647 3.531) 17.858 11.509 ( -3.997 1.267 -4.323) 6.023 14.581 ( 6.552 -10.352 0.761) 12.275 ======================= Grid point 1006 (357/489) ======================= q-point: (-0.18 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.012 ( -1.438 1.629 -2.443) 3.270 4.210 ( -10.869 12.266 -2.306) 16.550 4.569 ( -2.780 3.278 -1.112) 4.439 4.797 ( -5.117 15.979 -0.213) 16.779 5.179 ( -1.168 -9.054 -0.191) 9.131 5.980 ( 4.754 -11.401 4.304) 13.081 9.234 ( -5.305 -1.288 -1.118) 5.573 9.822 ( -2.223 3.242 1.324) 4.148 10.280 ( 9.831 -4.172 -2.389) 10.944 11.066 ( -5.326 18.688 5.240) 20.126 11.404 ( -7.626 -0.652 -4.759) 9.013 14.630 ( 9.983 -9.127 0.183) 13.528 ======================= Grid point 1017 (358/489) ======================= q-point: ( 0.47 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 0.000 5.672 4.080) 6.987 2.854 ( 0.000 15.477 2.928) 15.751 3.310 ( -0.000 5.087 -3.735) 6.311 4.277 ( -0.000 12.601 -5.674) 13.820 5.108 ( 0.000 21.607 2.100) 21.709 5.723 ( 0.000 10.105 1.223) 10.179 8.526 ( 0.000 15.734 -0.182) 15.735 8.941 ( -0.000 -1.378 -3.907) 4.143 10.596 ( -0.000 -6.843 -9.102) 11.387 10.617 ( 0.000 -1.281 0.423) 1.349 12.735 ( 0.000 -32.394 11.354) 34.327 15.162 ( -0.000 5.613 -9.484) 11.020 ======================= Grid point 1018 (359/489) ======================= q-point: ( 0.53 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 0.849 4.309 2.618) 5.113 3.090 ( 9.413 13.133 2.903) 16.416 3.418 ( 7.664 5.839 -3.695) 10.319 4.375 ( 1.404 7.472 -3.581) 8.404 5.284 ( -0.612 13.942 -0.036) 13.955 5.855 ( -0.104 14.672 2.090) 14.821 8.761 ( 9.572 13.968 -0.132) 16.933 8.905 ( -2.124 2.959 -5.764) 6.818 10.495 ( -0.931 -6.374 -3.570) 7.365 10.632 ( 1.591 0.326 -0.386) 1.670 12.426 ( -1.941 -32.495 8.765) 33.712 15.139 ( -5.610 4.980 -7.785) 10.811 ======================= Grid point 1019 (360/489) ======================= q-point: ( 0.59 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 2.241 3.290 2.079) 4.491 3.427 ( 14.272 9.841 3.284) 17.644 3.664 ( 13.557 9.147 -4.066) 16.852 4.449 ( 1.924 3.449 -1.535) 4.237 5.369 ( -1.632 7.836 -0.231) 8.007 5.996 ( -1.443 13.931 1.161) 14.054 8.862 ( -2.510 6.165 -4.065) 7.799 9.163 ( 17.070 13.945 -0.778) 22.056 10.399 ( -2.185 -6.306 -2.049) 6.981 10.690 ( 3.513 3.159 0.056) 4.725 12.092 ( -3.091 -30.057 6.320) 30.869 15.022 ( -10.105 3.265 -5.845) 12.122 ======================= Grid point 1020 (361/489) ======================= q-point: ( 0.65 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 2.806 2.371 1.555) 3.989 3.770 ( 14.561 7.131 2.562) 16.415 4.026 ( 15.720 13.816 -3.502) 21.219 4.502 ( 2.165 0.987 -0.300) 2.398 5.390 ( -1.944 2.675 0.846) 3.413 6.065 ( -4.315 8.961 -0.248) 9.949 8.909 ( 0.664 8.880 -2.105) 9.150 9.587 ( 15.506 11.736 -0.037) 19.446 10.283 ( -4.381 -4.206 -2.093) 6.424 10.821 ( 7.740 4.195 -0.424) 8.813 11.784 ( -3.125 -23.476 4.672) 24.139 14.833 ( -11.725 0.511 -3.744) 12.319 ======================= Grid point 1021 (362/489) ======================= q-point: ( 0.71 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( 2.434 1.710 0.653) 3.046 4.081 ( 12.213 7.684 0.951) 14.460 4.408 ( 10.563 15.251 0.247) 18.554 4.554 ( 4.205 1.160 -2.513) 5.034 5.367 ( -1.111 -2.363 2.022) 3.303 6.019 ( -6.975 1.840 -0.856) 7.264 9.044 ( 4.193 9.829 -0.399) 10.693 9.873 ( 8.034 4.125 0.784) 9.065 10.154 ( -6.558 -1.652 -2.066) 7.072 11.031 ( 10.223 6.044 -1.729) 12.001 11.574 ( -1.434 -12.294 3.567) 12.881 14.625 ( -9.471 -2.831 -1.712) 10.032 ======================= Grid point 1022 (363/489) ======================= q-point: ( 0.76 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.002 ( 1.571 1.597 -0.314) 2.262 4.325 ( 5.473 8.832 -0.653) 10.411 4.590 ( 3.514 3.049 4.092) 6.196 4.725 ( 4.461 11.701 -4.677) 13.368 5.339 ( 0.363 -1.861 1.143) 2.214 5.873 ( -5.733 -7.384 0.245) 9.352 9.217 ( 4.643 7.756 -0.022) 9.040 9.976 ( 0.679 0.690 0.551) 1.114 10.019 ( -2.825 -4.176 -0.887) 5.120 11.216 ( 2.282 7.245 0.003) 7.596 11.523 ( 1.651 -1.000 0.202) 1.941 14.466 ( -3.293 -5.194 -0.245) 6.154 ======================= Grid point 1023 (364/489) ======================= q-point: (-0.18 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.035 ( 0.362 2.096 -0.850) 2.291 4.427 ( -1.732 6.653 -0.475) 6.891 4.645 ( -5.888 6.380 -4.725) 9.884 4.857 ( 8.429 -1.668 6.091) 10.533 5.310 ( -11.221 9.593 -3.708) 15.221 5.748 ( 6.367 -14.961 3.047) 16.542 9.305 ( -1.474 2.529 -0.313) 2.944 9.901 ( -4.500 1.806 1.380) 5.041 10.065 ( 8.443 -4.009 -1.677) 9.495 11.261 ( -2.602 3.034 2.625) 4.782 11.536 ( -4.008 5.067 -2.476) 6.919 14.426 ( 4.377 -4.507 -0.074) 6.283 ======================= Grid point 1035 (365/489) ======================= q-point: ( 0.53 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( 0.000 2.952 2.337) 3.765 3.132 ( 0.000 10.558 2.597) 10.873 3.388 ( -0.000 5.113 -3.310) 6.091 4.417 ( -0.000 4.860 -1.736) 5.161 5.407 ( -0.000 9.671 -0.831) 9.707 6.020 ( 0.000 16.356 1.328) 16.410 8.792 ( -0.000 11.108 -0.583) 11.124 8.940 ( -0.000 4.756 -7.384) 8.783 10.437 ( 0.000 -5.557 0.295) 5.565 10.636 ( 0.000 2.580 0.616) 2.653 12.140 ( 0.000 -32.508 6.146) 33.084 15.219 ( -0.000 5.220 -6.627) 8.436 ======================= Grid point 1036 (366/489) ======================= q-point: ( 0.59 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( 1.081 2.300 3.042) 3.963 3.312 ( 9.099 7.287 2.705) 11.967 3.515 ( 9.651 6.193 -3.193) 11.904 4.459 ( 0.657 2.841 0.125) 2.918 5.469 ( -1.633 6.236 -0.980) 6.521 6.166 ( -1.351 14.066 -0.147) 14.132 8.949 ( -0.428 7.764 -4.366) 8.918 9.010 ( 11.045 8.843 -2.299) 14.334 10.385 ( -1.513 -3.511 2.344) 4.485 10.679 ( 1.334 3.143 0.392) 3.437 11.836 ( -0.436 -30.024 3.802) 30.267 15.192 ( -6.541 4.407 -5.369) 9.541 ======================= Grid point 1037 (367/489) ======================= q-point: ( 0.65 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( 2.018 1.842 3.629) 4.542 3.581 ( 14.012 4.344 2.469) 14.876 3.818 ( 17.821 7.998 -3.008) 19.763 4.497 ( 0.786 1.759 1.694) 2.565 5.468 ( -3.367 2.845 -0.525) 4.440 6.236 ( -4.229 9.584 -1.726) 10.616 8.996 ( -1.118 9.461 -2.690) 9.899 9.371 ( 19.138 7.518 -0.995) 20.586 10.331 ( -3.213 -0.027 1.606) 3.592 10.734 ( 3.319 -0.633 0.021) 3.379 11.583 ( 0.979 -22.534 2.899) 22.741 15.053 ( -11.932 2.932 -4.024) 12.929 ======================= Grid point 1038 (368/489) ======================= q-point: ( 0.71 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( 2.168 1.331 3.286) 4.156 3.886 ( 16.028 3.371 1.986) 16.499 4.235 ( 21.144 8.779 -3.377) 23.142 4.531 ( 0.570 1.424 3.106) 3.464 5.406 ( -4.792 -1.190 0.323) 4.948 6.191 ( -8.341 4.452 -2.877) 9.883 9.089 ( 1.351 9.525 -0.073) 9.620 9.718 ( 13.354 1.997 -0.547) 13.513 10.284 ( -6.065 4.890 -0.484) 7.806 10.812 ( 12.074 -5.678 -1.267) 13.403 11.463 ( 2.665 -10.394 3.780) 11.377 14.831 ( -14.529 1.268 -2.527) 14.801 ======================= Grid point 1039 (369/489) ======================= q-point: ( 0.76 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( 1.931 1.074 2.173) 3.099 4.197 ( 15.098 3.006 1.445) 15.463 4.561 ( 2.691 0.282 1.715) 3.203 4.665 ( 15.780 10.453 -2.349) 19.073 5.294 ( -3.340 -5.889 1.879) 7.026 6.021 ( -12.614 -0.104 -3.274) 13.032 9.215 ( 3.389 6.042 0.847) 6.979 9.855 ( 5.434 -3.049 -0.315) 6.239 10.185 ( -9.816 3.661 -0.372) 10.483 11.058 ( 18.035 -0.031 -3.895) 18.451 11.465 ( 3.158 -3.431 4.921) 6.780 14.589 ( -12.858 0.331 -0.985) 12.900 ======================= Grid point 1053 (370/489) ======================= q-point: ( 0.59 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( 0.000 1.758 4.714) 5.031 3.299 ( 0.000 4.775 2.392) 5.341 3.474 ( -0.000 5.246 -2.467) 5.797 4.481 ( 0.000 2.243 1.673) 2.798 5.533 ( -0.000 4.375 -1.399) 4.593 6.303 ( -0.000 11.181 -1.632) 11.299 8.961 ( 0.000 6.317 -0.066) 6.317 9.040 ( -0.000 9.189 -4.344) 10.164 10.385 ( 0.000 -1.653 4.178) 4.493 10.705 ( 0.000 3.550 -0.020) 3.550 11.554 ( -0.000 -27.736 1.061) 27.757 15.278 ( -0.000 4.141 -4.670) 6.242 ======================= Grid point 1054 (371/489) ======================= q-point: ( 0.65 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( 0.955 1.410 6.037) 6.273 3.420 ( 8.725 2.410 2.257) 9.329 3.614 ( 11.092 4.893 -2.068) 12.299 4.514 ( 0.386 2.212 3.069) 3.803 5.542 ( -2.299 2.157 -1.413) 3.455 6.368 ( -2.227 6.862 -3.102) 7.853 9.116 ( -1.432 10.918 -0.269) 11.015 9.134 ( 13.183 4.396 -0.190) 13.898 10.378 ( -0.756 -0.091 3.261) 3.348 10.715 ( -1.954 -0.521 -0.815) 2.180 11.336 ( 3.318 -19.469 -0.012) 19.750 15.240 ( -7.054 3.207 -3.907) 8.678 ======================= Grid point 1055 (372/489) ======================= q-point: ( 0.71 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( 1.447 0.706 5.895) 6.111 3.646 ( 14.382 0.927 2.282) 14.592 3.922 ( 19.697 3.929 -2.212) 20.206 4.556 ( 0.328 2.616 4.341) 5.079 5.485 ( -4.868 -0.480 -1.211) 5.039 6.337 ( -5.466 2.333 -4.269) 7.317 9.191 ( -1.778 9.066 2.569) 9.589 9.460 ( 17.982 2.703 -0.314) 18.187 10.408 ( 1.222 5.562 0.877) 5.762 10.607 ( -2.078 -10.102 -1.813) 10.472 11.302 ( 6.547 -7.035 1.440) 9.717 15.083 ( -12.681 2.320 -2.936) 13.222 ======================= Grid point 1056 (373/489) ======================= q-point: (-0.24 -0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( 1.698 -0.094 4.453) 4.767 3.930 ( 16.943 -0.531 2.376) 17.117 4.319 ( 22.484 2.022 -3.366) 22.824 4.608 ( 0.949 3.327 5.851) 6.797 5.358 ( -7.297 -3.184 -0.984) 8.022 6.200 ( -9.312 -1.140 -4.745) 10.513 9.239 ( -0.718 2.489 2.921) 3.904 9.718 ( 9.625 0.252 -0.729) 9.656 10.392 ( -9.468 2.993 -0.487) 9.941 10.683 ( 20.121 -0.444 -2.243) 20.251 11.371 ( 5.184 -3.420 3.203) 6.988 14.853 ( -15.203 2.288 -1.648) 15.463 ======================= Grid point 1071 (374/489) ======================= q-point: ( 0.65 0.65 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 0.000 0.901 7.986) 8.037 3.363 ( 0.000 0.600 1.932) 2.023 3.550 ( -0.000 3.208 -1.340) 3.476 4.548 ( 0.000 3.021 4.468) 5.394 5.572 ( -0.000 0.639 -1.835) 1.943 6.423 ( -0.000 2.612 -4.422) 5.136 9.050 ( 0.000 2.592 0.883) 2.738 9.252 ( 0.000 11.888 3.980) 12.537 10.370 ( 0.000 -3.847 1.514) 4.134 10.752 ( -0.000 1.045 -0.995) 1.443 11.127 ( -0.000 -12.199 -2.058) 12.372 15.318 ( -0.000 2.474 -3.722) 4.469 ======================= Grid point 1072 (375/489) ======================= q-point: (-0.29 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( 0.383 -0.223 8.041) 8.053 3.447 ( 8.997 -1.002 2.027) 9.277 3.669 ( 11.288 1.648 -1.193) 11.470 4.601 ( 0.091 4.073 5.843) 7.123 5.539 ( -2.777 -1.400 -2.064) 3.732 6.391 ( -2.339 -1.900 -5.525) 6.293 9.180 ( 11.278 0.085 0.702) 11.300 9.364 ( -1.438 9.823 7.327) 12.338 10.336 ( 2.445 -5.524 -0.993) 6.122 10.680 ( -6.728 0.614 -1.673) 6.960 11.133 ( 7.092 -1.235 -1.064) 7.277 15.266 ( -6.958 1.751 -3.332) 7.911 ======================= Grid point 1073 (376/489) ======================= q-point: (-0.24 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( 0.842 -1.806 6.209) 6.521 3.645 ( 14.659 -2.714 2.427) 15.104 3.943 ( 19.590 -0.469 -1.630) 19.663 4.665 ( -0.315 4.880 7.090) 8.613 5.436 ( -5.583 -3.357 -2.440) 6.956 6.272 ( -4.856 -5.511 -6.021) 9.497 9.278 ( -0.781 -3.973 3.125) 5.115 9.526 ( 11.783 1.966 2.239) 12.153 10.371 ( 6.487 -2.549 -0.146) 6.971 10.617 ( -3.261 9.079 -1.299) 9.734 11.257 ( 6.228 0.830 0.436) 6.298 15.107 ( -12.015 1.855 -2.513) 12.414 ======================= Grid point 1089 (377/489) ======================= q-point: (-0.29 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.952 ( 0.000 -1.665 8.794) 8.951 3.350 ( 0.000 -3.161 1.372) 3.446 3.579 ( -0.000 0.325 -0.491) 0.589 4.671 ( 0.000 5.660 7.598) 9.475 5.533 ( -0.000 -3.216 -2.678) 4.185 6.348 ( -0.000 -6.639 -6.594) 9.357 9.074 ( 0.000 -1.167 1.362) 1.794 9.480 ( 0.000 2.143 9.153) 9.401 10.281 ( -0.000 1.087 -0.567) 1.226 10.729 ( -0.000 -2.394 -1.471) 2.810 11.095 ( -0.000 8.467 -2.963) 8.971 15.329 ( -0.000 0.992 -3.602) 3.736 ======================= Grid point 1090 (378/489) ======================= q-point: (-0.24 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( -0.334 -3.907 7.102) 8.112 3.400 ( 9.653 -5.183 1.643) 11.079 3.666 ( 10.514 -1.275 -0.550) 10.605 4.756 ( -0.475 6.650 9.231) 11.387 5.458 ( -2.800 -5.066 -3.443) 6.735 6.224 ( -1.598 -10.710 -7.171) 12.987 9.139 ( 8.306 -4.892 0.701) 9.665 9.446 ( -1.133 -8.208 4.531) 9.444 10.364 ( 0.376 11.865 4.382) 12.654 10.700 ( 0.286 1.171 -0.506) 1.308 11.222 ( 2.965 10.581 -3.275) 11.467 15.270 ( -6.250 0.961 -3.449) 7.203 ======================= Grid point 1107 (379/489) ======================= q-point: (-0.24 -0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( 0.000 -6.421 6.726) 9.299 3.247 ( 0.000 -7.944 0.591) 7.966 3.561 ( -0.000 -1.798 0.016) 1.798 4.864 ( 0.000 7.135 11.510) 13.542 5.409 ( -0.000 -6.782 -4.604) 8.197 6.081 ( -0.000 -15.349 -7.976) 17.298 9.009 ( 0.000 -6.414 0.894) 6.476 9.348 ( -0.000 -14.664 0.220) 14.666 10.586 ( 0.000 22.981 12.467) 26.145 10.656 ( -0.000 -3.495 -0.993) 3.633 11.327 ( -0.000 16.132 -6.020) 17.219 15.319 ( -0.000 0.667 -4.106) 4.160 ======================= Grid point 1234 (380/489) ======================= q-point: ( 0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 0.000 -0.000 19.703) 19.703 0.880 ( 0.000 -0.000 19.703) 19.703 1.796 ( 0.000 -0.000 42.092) 42.092 2.998 ( -0.000 0.000 -3.347) 3.347 2.998 ( -0.000 0.000 -3.347) 3.347 6.680 ( -0.000 0.000 -14.672) 14.672 7.387 ( 0.000 -0.000 1.167) 1.167 7.387 ( 0.000 -0.000 1.167) 1.167 11.063 ( -0.000 0.000 -0.880) 0.880 11.063 ( -0.000 0.000 -0.880) 0.880 14.453 ( 0.000 -0.000 3.051) 3.051 14.714 ( -0.000 0.000 -1.532) 1.532 ======================= Grid point 1235 (381/489) ======================= q-point: ( 0.29 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 13.130 7.581 15.892) 21.964 1.341 ( 23.941 13.822 17.202) 32.560 2.029 ( 11.414 6.590 31.641) 34.276 2.997 ( 1.327 0.766 -3.468) 3.792 3.143 ( 12.594 7.271 -1.992) 14.678 6.130 ( -17.409 -10.051 -3.644) 20.430 7.454 ( 5.018 2.897 1.164) 5.910 8.591 ( 63.088 36.424 -25.495) 77.181 10.777 ( -20.643 -11.918 -2.752) 23.994 11.026 ( -2.857 -1.650 -0.886) 3.416 14.381 ( -6.776 -3.912 5.245) 9.419 14.853 ( 9.479 5.472 -7.877) 13.485 ======================= Grid point 1236 (382/489) ======================= q-point: ( 0.35 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 19.046 10.996 10.740) 24.475 1.799 ( 10.088 5.824 24.356) 26.998 2.604 ( 31.913 18.425 7.606) 37.627 3.035 ( 2.895 1.671 -3.453) 4.805 3.529 ( 20.140 11.628 1.821) 23.327 5.855 ( -7.460 -4.307 -6.092) 10.551 7.621 ( 9.169 5.293 1.049) 10.639 9.492 ( 10.563 6.099 -4.232) 12.911 10.422 ( 4.182 2.415 -23.450) 23.942 10.933 ( -4.798 -2.770 -0.861) 5.606 14.200 ( -10.855 -6.267 10.157) 16.133 14.967 ( 2.533 1.462 -13.554) 13.866 ======================= Grid point 1237 (383/489) ======================= q-point: ( 0.41 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 19.835 11.452 7.266) 24.029 2.062 ( 8.346 4.818 18.916) 21.229 3.104 ( 3.956 2.284 -3.340) 5.659 3.394 ( 34.244 19.771 -2.889) 39.647 4.035 ( 22.161 12.795 5.448) 26.163 5.703 ( -4.330 -2.500 -6.169) 7.941 7.875 ( 12.531 7.235 0.872) 14.496 9.238 ( -19.616 -11.325 5.570) 23.325 10.730 ( 18.176 10.494 -26.696) 33.958 10.812 ( -5.236 -3.023 -0.784) 6.097 13.945 ( -15.256 -8.808 14.069) 22.545 14.905 ( -2.582 -1.491 -14.788) 15.086 ======================= Grid point 1238 (384/489) ======================= q-point: ( 0.47 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 10.583 6.110 10.939) 16.401 2.444 ( 18.145 10.476 5.002) 21.541 3.191 ( 4.378 2.528 -3.172) 5.968 4.090 ( 26.922 15.543 -8.768) 32.300 4.545 ( 19.970 11.530 7.267) 24.177 5.625 ( -0.640 -0.369 -2.892) 2.985 8.188 ( 14.229 8.215 0.631) 16.442 8.866 ( -12.743 -7.357 3.243) 15.067 10.701 ( -3.948 -2.280 -0.598) 4.598 10.919 ( 4.914 2.837 -20.247) 21.027 13.552 ( -23.342 -13.476 11.656) 29.365 14.828 ( 0.402 0.232 -9.488) 9.499 ======================= Grid point 1239 (385/489) ======================= q-point: ( 0.53 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 11.295 6.521 3.993) 13.640 2.840 ( 15.099 8.718 3.475) 17.778 3.280 ( 4.138 2.389 -2.956) 5.619 4.522 ( 13.180 7.610 -12.713) 19.831 4.974 ( 15.250 8.805 6.591) 18.803 5.691 ( 6.837 3.947 2.958) 8.431 8.512 ( 13.428 7.753 0.241) 15.507 8.701 ( -2.137 -1.234 1.630) 2.957 10.638 ( -1.320 -0.762 -0.210) 1.538 10.866 ( -3.474 -2.006 -15.884) 16.383 12.953 ( -30.585 -17.658 5.866) 35.800 14.876 ( 4.839 2.794 -1.878) 5.895 ======================= Grid point 1240 (386/489) ======================= q-point: ( 0.59 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( 9.533 5.504 -1.985) 11.185 3.153 ( 11.334 6.544 2.294) 13.287 3.357 ( 3.320 1.917 -2.566) 4.613 4.646 ( 2.709 1.564 -11.947) 12.350 5.279 ( 9.880 5.704 4.727) 12.349 5.928 ( 11.032 6.370 6.253) 14.191 8.771 ( 7.583 4.378 -0.101) 8.757 8.787 ( 10.309 5.952 -0.349) 11.908 10.640 ( 1.344 0.776 0.408) 1.604 10.708 ( -5.625 -3.248 -11.858) 13.521 12.232 ( -32.494 -18.761 2.748) 37.622 15.008 ( 5.988 3.457 2.385) 7.314 ======================= Grid point 1241 (387/489) ======================= q-point: ( 0.65 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.016 ( 5.944 3.432 -6.916) 9.744 3.364 ( 6.002 3.465 -0.456) 6.945 3.419 ( 3.285 1.897 -0.250) 3.802 4.641 ( 0.778 0.449 -8.619) 8.665 5.461 ( 5.108 2.949 2.834) 6.544 6.175 ( 7.866 4.542 7.093) 11.524 8.975 ( 6.316 3.646 -0.976) 7.358 9.024 ( 14.284 8.247 -2.968) 16.759 10.555 ( -5.047 -2.914 -7.378) 9.402 10.688 ( 2.177 1.257 1.069) 2.732 11.536 ( -27.571 -15.918 2.612) 31.943 15.144 ( 4.705 2.716 3.861) 6.665 ======================= Grid point 1242 (388/489) ======================= q-point: ( 0.71 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.077 ( 1.710 0.987 -9.712) 9.911 3.407 ( -0.061 -0.035 -2.571) 2.572 3.521 ( 3.551 2.050 1.692) 4.436 4.657 ( 3.106 1.793 -6.489) 7.414 5.535 ( 0.736 0.425 1.676) 1.879 6.308 ( 1.444 0.834 7.388) 7.574 9.073 ( 2.600 1.501 -1.357) 3.295 9.367 ( 15.781 9.111 -7.600) 19.744 10.395 ( -8.572 -4.949 -1.143) 9.964 10.727 ( 0.550 0.318 1.475) 1.606 11.080 ( -10.690 -6.172 2.770) 12.650 15.240 ( 2.553 1.474 4.189) 5.123 ======================= Grid point 1243 (389/489) ======================= q-point: (-0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( -2.135 -1.233 -9.469) 9.784 3.364 ( -3.132 -1.808 -1.714) 4.002 3.572 ( 0.641 0.370 0.870) 1.143 4.743 ( 6.063 3.500 -7.396) 10.184 5.510 ( -3.320 -1.917 2.144) 4.392 6.280 ( -6.041 -3.488 7.574) 10.297 9.086 ( -1.075 -0.621 -1.330) 1.819 9.563 ( -0.646 -0.373 -7.990) 8.025 10.281 ( 4.559 2.632 -0.697) 5.311 10.715 ( -2.004 -1.157 1.453) 2.732 11.066 ( 6.603 3.812 3.102) 8.231 15.291 ( 0.902 0.521 4.284) 4.409 ======================= Grid point 1252 (390/489) ======================= q-point: ( 0.29 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 0.000 16.387 14.185) 21.674 1.356 ( 0.000 29.856 15.718) 33.741 2.128 ( 0.000 9.671 31.656) 33.101 3.008 ( -0.000 2.566 -3.583) 4.407 3.106 ( -0.000 12.861 -1.864) 12.995 6.116 ( -0.000 -20.176 -4.725) 20.722 7.437 ( 0.000 4.952 1.221) 5.101 8.514 ( -0.000 68.816 -21.141) 71.990 10.813 ( -0.000 -18.639 -4.062) 19.077 11.023 ( -0.000 -3.333 -0.873) 3.446 14.384 ( 0.000 -9.210 5.433) 10.693 14.823 ( -0.000 9.416 -6.896) 11.671 ======================= Grid point 1253 (391/489) ======================= q-point: ( 0.35 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 7.669 20.081 10.962) 24.129 1.804 ( 9.359 17.142 20.847) 28.566 2.450 ( 13.501 22.353 13.066) 29.201 3.030 ( 0.599 4.185 -3.482) 5.478 3.376 ( 12.879 16.388 1.314) 20.884 5.886 ( -5.318 -9.190 -6.056) 12.223 7.560 ( 5.822 7.611 1.174) 9.654 9.275 ( 21.762 31.062 -11.897) 39.749 10.480 ( -12.566 -7.315 -14.185) 20.313 10.965 ( -2.182 -3.669 -1.218) 4.439 14.260 ( -4.069 -12.555 8.929) 15.935 14.914 ( 2.506 5.635 -11.530) 13.075 ======================= Grid point 1254 (392/489) ======================= q-point: ( 0.41 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 12.810 20.176 7.914) 25.176 2.087 ( 4.010 7.894 21.129) 22.909 3.087 ( 11.742 14.633 -3.483) 19.082 3.092 ( 16.172 18.697 -1.767) 24.784 3.835 ( 18.942 16.776 4.979) 25.789 5.722 ( -3.912 -4.385 -6.544) 8.795 7.785 ( 9.151 10.842 1.093) 14.230 9.409 ( -11.450 -14.317 6.888) 19.583 10.478 ( 12.139 15.455 -25.821) 32.448 10.879 ( -3.707 -1.105 -2.902) 4.835 14.058 ( -7.472 -15.401 12.822) 21.387 14.906 ( -2.485 1.805 -14.455) 14.778 ======================= Grid point 1255 (393/489) ======================= q-point: ( 0.47 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 6.175 8.273 13.141) 16.711 2.344 ( 12.993 18.728 6.508) 23.705 3.176 ( 2.113 6.836 -3.000) 7.759 3.786 ( 25.962 21.918 -7.494) 34.794 4.351 ( 19.635 14.902 6.737) 25.553 5.624 ( -1.579 -1.516 -4.485) 4.991 8.087 ( 11.038 13.707 1.049) 17.630 9.023 ( -14.755 -12.468 4.596) 19.857 10.676 ( 4.699 -1.381 -8.220) 9.568 10.839 ( 0.530 5.433 -13.394) 14.464 13.751 ( -14.135 -19.117 12.294) 26.765 14.822 ( -2.647 1.712 -11.663) 12.081 ======================= Grid point 1256 (394/489) ======================= q-point: ( 0.53 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 7.996 7.799 6.921) 13.140 2.760 ( 11.566 17.954 4.092) 21.746 3.273 ( 1.779 7.587 -2.708) 8.250 4.314 ( 17.591 12.641 -10.800) 24.205 4.818 ( 16.505 11.433 6.350) 21.058 5.635 ( 3.931 2.498 0.164) 4.661 8.426 ( 10.656 15.312 0.987) 18.681 8.756 ( -6.771 -5.182 2.908) 9.009 10.655 ( -0.985 -1.188 -1.142) 1.920 10.825 ( -0.735 -1.609 -15.574) 15.674 13.251 ( -23.657 -21.565 6.528) 32.670 14.817 ( 2.903 1.943 -3.959) 5.280 ======================= Grid point 1257 (395/489) ======================= q-point: ( 0.59 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( 8.231 6.425 0.853) 10.476 3.113 ( 8.144 16.531 2.643) 18.616 3.366 ( 0.864 7.961 -2.247) 8.317 4.558 ( 6.317 4.134 -11.581) 13.824 5.172 ( 11.655 7.170 5.109) 14.607 5.816 ( 10.470 5.861 4.288) 12.742 8.703 ( 3.851 2.282 2.043) 4.921 8.752 ( 6.661 14.399 0.381) 15.870 10.640 ( -0.707 0.624 -0.535) 1.084 10.705 ( -2.735 -4.392 -12.187) 13.240 12.586 ( -29.600 -20.842 2.146) 36.265 14.916 ( 6.922 0.443 1.565) 7.110 ======================= Grid point 1258 (396/489) ======================= q-point: ( 0.65 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( 6.313 4.073 -4.478) 8.746 3.375 ( 3.298 14.321 0.226) 14.697 3.447 ( 0.024 8.611 -0.448) 8.623 4.602 ( 1.364 1.052 -9.113) 9.274 5.396 ( 7.024 3.179 3.514) 8.473 6.079 ( 10.664 4.616 5.857) 13.013 8.866 ( 10.848 5.228 -0.084) 12.043 8.992 ( 2.920 14.816 -0.046) 15.101 10.546 ( -2.251 -5.673 -7.869) 9.958 10.686 ( 0.388 2.645 -0.381) 2.700 11.884 ( -29.467 -16.529 0.993) 33.801 15.049 ( 7.800 -1.704 3.685) 8.793 ======================= Grid point 1259 (397/489) ======================= q-point: ( 0.71 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( 3.134 1.538 -8.161) 8.876 3.471 ( -2.790 8.681 -2.975) 9.591 3.571 ( -0.195 12.103 2.330) 12.327 4.610 ( 1.815 1.332 -6.644) 7.016 5.505 ( 3.216 -0.294 2.124) 3.866 6.275 ( 5.976 0.977 6.515) 8.895 9.138 ( -0.465 12.089 -1.115) 12.149 9.153 ( 13.939 7.695 -3.338) 16.268 10.451 ( -2.358 -3.072 -4.318) 5.800 10.690 ( -0.704 -3.253 1.785) 3.777 11.324 ( -20.536 -5.546 1.256) 21.309 15.161 ( 6.698 -3.622 4.045) 8.622 ======================= Grid point 1260 (398/489) ======================= q-point: (-0.24 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.016 ( -0.189 -0.601 -9.000) 9.022 3.469 ( -5.743 7.439 -2.514) 9.728 3.656 ( -3.684 10.511 1.531) 11.242 4.661 ( 4.307 2.471 -6.490) 8.172 5.519 ( -0.153 -3.168 1.923) 3.709 6.331 ( -0.887 -3.083 6.861) 7.574 9.188 ( -5.374 9.692 -1.018) 11.129 9.438 ( 11.358 3.370 -8.157) 14.384 10.326 ( -7.287 -1.254 1.238) 7.497 10.663 ( 4.226 -5.423 1.885) 7.129 11.123 ( -5.505 6.408 1.035) 8.511 15.232 ( 5.032 -4.798 3.868) 7.956 ======================= Grid point 1270 (399/489) ======================= q-point: ( 0.35 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 0.000 20.598 8.675) 22.350 1.985 ( 0.000 18.090 20.787) 27.556 2.629 ( 0.000 29.623 6.852) 30.405 3.051 ( -0.000 4.091 -3.792) 5.578 3.465 ( 0.000 22.103 3.430) 22.368 5.816 ( -0.000 -8.690 -6.426) 10.808 7.599 ( 0.000 10.527 1.290) 10.606 9.363 ( -0.000 19.664 -2.184) 19.785 10.492 ( -0.000 0.658 -22.531) 22.541 10.925 ( -0.000 -5.786 -0.773) 5.838 14.173 ( 0.000 -16.922 10.676) 20.008 14.922 ( -0.000 6.599 -12.024) 13.716 ======================= Grid point 1271 (400/489) ======================= q-point: ( 0.41 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 7.944 21.346 6.702) 23.742 2.201 ( 0.949 9.797 19.737) 22.056 3.065 ( 11.678 34.339 -3.342) 36.424 3.105 ( 2.176 5.489 -3.504) 6.866 3.797 ( 9.507 23.153 6.307) 25.812 5.704 ( -2.001 -5.155 -6.380) 8.443 7.776 ( 6.057 13.249 1.268) 14.623 9.413 ( -3.318 -12.433 7.794) 15.044 10.470 ( -0.383 15.953 -26.068) 30.564 10.874 ( 0.519 -3.888 -2.890) 4.872 14.003 ( -2.696 -20.300 13.207) 24.367 14.930 ( -1.627 4.755 -13.914) 14.794 ======================= Grid point 1272 (401/489) ======================= q-point: ( 0.47 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 6.934 15.788 8.188) 19.089 2.371 ( 6.424 13.929 10.943) 18.842 3.204 ( 2.806 7.646 -3.188) 8.747 3.625 ( 17.800 27.800 -7.188) 33.784 4.249 ( 14.043 20.906 7.011) 26.142 5.619 ( -1.432 -1.895 -4.799) 5.355 8.066 ( 9.708 16.487 1.378) 19.182 9.129 ( -11.560 -15.462 4.814) 19.897 10.568 ( 3.962 5.282 -12.854) 14.451 10.846 ( -0.112 0.468 -8.397) 8.411 13.751 ( -6.713 -23.781 13.376) 28.099 14.873 ( -4.263 3.808 -13.103) 14.296 ======================= Grid point 1273 (402/489) ======================= q-point: ( 0.53 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 4.260 8.159 7.820) 12.077 2.785 ( 11.145 21.385 4.326) 24.500 3.325 ( 2.159 9.681 -2.789) 10.303 4.130 ( 16.535 17.186 -8.428) 25.294 4.702 ( 14.004 16.296 5.356) 22.144 5.606 ( 1.763 1.997 -1.315) 2.971 8.428 ( 10.468 19.318 1.680) 22.036 8.836 ( -8.767 -7.990 2.582) 12.139 10.614 ( 2.838 -0.532 -5.136) 5.892 10.795 ( -2.256 -2.055 -10.520) 10.954 13.364 ( -14.093 -25.893 9.032) 30.833 14.812 ( -2.014 2.767 -7.577) 8.314 ======================= Grid point 1274 (403/489) ======================= q-point: ( 0.59 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( 5.644 6.933 2.787) 9.365 3.180 ( 8.407 21.335 3.205) 23.155 3.448 ( 0.821 11.240 -2.213) 11.485 4.446 ( 9.084 7.257 -9.214) 14.835 5.068 ( 11.337 10.145 3.981) 15.725 5.726 ( 7.434 5.550 2.375) 9.576 8.695 ( -0.558 -0.015 2.676) 2.734 8.815 ( 7.339 20.135 1.220) 21.466 10.641 ( 1.673 -2.028 -8.229) 8.639 10.669 ( -3.516 -2.480 -4.116) 5.954 12.818 ( -21.903 -24.450 3.461) 33.007 14.821 ( 3.182 -0.368 -1.245) 3.436 ======================= Grid point 1275 (404/489) ======================= q-point: ( 0.65 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( 5.143 4.769 -1.805) 7.243 3.505 ( 3.370 20.974 0.606) 21.252 3.561 ( -0.289 12.444 0.050) 12.447 4.555 ( 2.777 2.260 -8.298) 9.037 5.315 ( 7.625 4.447 3.218) 9.396 5.953 ( 10.569 4.605 4.169) 12.259 8.764 ( 6.247 3.759 1.674) 7.480 9.131 ( 3.448 21.515 1.426) 21.836 10.495 ( -2.743 -7.717 -7.882) 11.366 10.709 ( 1.026 4.563 -1.124) 4.810 12.188 ( -25.474 -19.405 0.278) 32.024 14.892 ( 7.068 -4.283 2.272) 8.571 ======================= Grid point 1276 (405/489) ======================= q-point: ( 0.71 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.958 ( 3.201 2.533 -5.426) 6.790 3.633 ( -3.591 13.633 -2.940) 14.402 3.757 ( -0.820 19.638 3.248) 19.922 4.577 ( 1.275 1.351 -6.419) 6.682 5.442 ( 4.118 -0.365 2.016) 4.599 6.169 ( 9.061 0.581 5.179) 10.453 8.974 ( 11.428 5.891 -0.489) 12.866 9.353 ( -2.328 19.970 0.965) 20.128 10.391 ( 1.363 -5.479 -4.597) 7.281 10.732 ( -3.668 1.909 0.286) 4.145 11.620 ( -21.500 -9.553 -0.869) 23.543 14.980 ( 8.595 -7.445 3.322) 11.847 ======================= Grid point 1277 (406/489) ======================= q-point: ( 0.76 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( 0.634 0.865 -7.030) 7.112 3.671 ( -6.430 12.897 -2.779) 14.676 3.899 ( -5.880 18.767 2.583) 19.835 4.604 ( 2.541 1.843 -5.682) 6.492 5.472 ( 1.670 -4.240 1.473) 4.789 6.289 ( 4.268 -3.651 5.764) 8.048 9.223 ( 10.639 3.450 -4.147) 11.929 9.457 ( -5.887 16.579 0.403) 17.598 10.417 ( 3.463 2.297 -1.063) 4.290 10.587 ( -8.399 -6.642 2.323) 10.957 11.316 ( -10.166 3.156 -1.464) 10.745 15.054 ( 8.410 -9.226 3.180) 12.883 ======================= Grid point 1288 (407/489) ======================= q-point: ( 0.41 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 0.000 20.695 5.046) 21.301 2.345 ( 0.000 8.319 16.169) 18.183 3.118 ( -0.000 4.960 -3.848) 6.277 3.310 ( -0.000 35.621 -6.220) 36.160 3.999 ( 0.000 27.294 8.118) 28.476 5.655 ( -0.000 -3.723 -5.707) 6.814 7.864 ( 0.000 15.108 1.087) 15.147 9.333 ( 0.000 -15.602 7.427) 17.279 10.562 ( -0.000 15.109 -25.874) 29.963 10.796 ( -0.000 -6.443 -0.481) 6.461 13.849 ( 0.000 -23.877 14.369) 27.867 14.958 ( -0.000 5.965 -13.939) 15.162 ======================= Grid point 1289 (408/489) ======================= q-point: ( 0.47 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 8.417 19.887 4.005) 21.963 2.465 ( 0.314 7.533 10.959) 13.302 3.196 ( 4.123 5.908 -3.600) 8.054 3.682 ( 6.941 29.596 -7.012) 31.197 4.348 ( 5.300 26.959 7.478) 28.474 5.608 ( -0.667 -0.804 -4.144) 4.274 8.089 ( 7.032 17.078 0.994) 18.495 9.141 ( -5.951 -14.876 3.390) 16.377 10.573 ( -2.207 5.461 -12.729) 14.026 10.781 ( 3.350 -2.881 -5.980) 7.435 13.619 ( -2.761 -27.191 14.138) 30.771 14.947 ( -3.196 5.845 -13.254) 14.835 ======================= Grid point 1290 (409/489) ======================= q-point: ( 0.53 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 1.808 7.168 6.328) 9.731 2.798 ( 12.612 19.696 3.673) 23.675 3.341 ( 5.516 8.057 -3.352) 10.324 4.059 ( 10.050 19.454 -5.833) 22.661 4.726 ( 7.108 22.310 4.305) 23.807 5.607 ( 0.640 3.234 -1.435) 3.595 8.438 ( 11.460 19.404 1.245) 22.570 8.902 ( -7.586 -8.546 0.471) 11.437 10.559 ( 0.857 0.498 -5.327) 5.418 10.760 ( 0.055 -4.035 -7.076) 8.146 13.297 ( -6.950 -29.489 11.244) 32.316 14.887 ( -5.136 4.715 -10.118) 12.288 ======================= Grid point 1291 (410/489) ======================= q-point: ( 0.59 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( 3.501 6.338 3.011) 7.842 3.224 ( 12.288 19.874 3.486) 23.624 3.512 ( 4.365 10.870 -3.159) 12.132 4.349 ( 8.541 9.426 -5.153) 13.724 5.039 ( 6.718 14.543 1.855) 16.126 5.696 ( 3.793 6.918 1.275) 7.992 8.731 ( -2.739 -0.175 1.046) 2.937 8.870 ( 10.645 20.118 0.761) 22.773 10.562 ( 0.963 -3.286 -6.585) 7.422 10.682 ( -1.187 -1.824 -2.693) 3.462 12.865 ( -12.652 -28.753 6.385) 32.055 14.817 ( -3.380 1.600 -5.077) 6.305 ======================= Grid point 1292 (411/489) ======================= q-point: ( 0.65 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( 3.803 4.753 0.044) 6.088 3.622 ( 9.274 19.597 4.187) 22.082 3.679 ( 1.748 14.304 -3.523) 14.835 4.502 ( 4.113 3.434 -5.341) 7.566 5.260 ( 5.801 7.104 1.882) 9.363 5.861 ( 6.575 5.829 2.338) 9.093 8.736 ( 2.158 3.751 1.129) 4.472 9.264 ( 8.089 22.174 1.694) 23.664 10.442 ( -3.199 -8.519 -6.433) 11.144 10.727 ( 2.678 5.722 -0.931) 6.386 12.350 ( -17.557 -23.936 1.912) 29.746 14.778 ( 0.937 -3.255 -0.649) 3.449 ======================= Grid point 1293 (412/489) ======================= q-point: ( 0.71 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( 2.784 3.068 -2.609) 4.896 3.816 ( -1.153 14.614 -2.048) 14.802 3.959 ( 3.850 21.778 3.225) 22.350 4.551 ( 1.387 1.650 -5.186) 5.616 5.385 ( 3.220 1.075 1.383) 3.666 6.031 ( 8.120 0.505 3.269) 8.768 8.878 ( 7.261 6.835 0.909) 10.014 9.570 ( 1.911 19.939 1.711) 20.103 10.301 ( -0.666 -7.755 -3.897) 8.705 10.823 ( -0.549 7.706 -0.511) 7.742 11.841 ( -17.899 -14.846 -1.093) 23.281 14.779 ( 5.323 -8.063 1.718) 9.813 ======================= Grid point 1294 (413/489) ======================= q-point: ( 0.76 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.969 ( 1.061 1.914 -4.314) 4.837 3.907 ( -4.923 15.339 -2.325) 16.276 4.200 ( -2.690 22.010 3.894) 22.513 4.571 ( 1.430 1.683 -5.178) 5.629 5.405 ( 0.962 -4.130 0.446) 4.264 6.157 ( 7.355 -5.045 4.309) 9.906 9.093 ( 8.780 6.530 -0.904) 10.980 9.711 ( -5.008 12.981 0.858) 13.940 10.284 ( 6.892 -3.924 -0.550) 7.950 10.800 ( -11.177 6.640 1.312) 13.066 11.496 ( -10.519 -2.115 -3.274) 11.218 14.808 ( 8.293 -11.215 2.261) 14.130 ======================= Grid point 1306 (414/489) ======================= q-point: ( 0.47 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( 0.000 18.779 2.992) 19.016 2.559 ( 0.000 6.295 6.885) 9.330 3.196 ( -0.000 5.218 -3.626) 6.354 3.886 ( -0.000 25.456 -5.674) 26.081 4.609 ( 0.000 28.116 5.993) 28.747 5.607 ( -0.000 2.076 -2.671) 3.383 8.194 ( 0.000 17.098 0.456) 17.104 9.063 ( -0.000 -11.878 -0.007) 11.878 10.617 ( -0.000 2.735 -13.065) 13.349 10.680 ( -0.000 -4.768 0.036) 4.768 13.402 ( 0.000 -30.111 13.609) 33.044 15.000 ( -0.000 6.877 -12.449) 14.222 ======================= Grid point 1307 (415/489) ======================= q-point: ( 0.53 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 0.521 5.849 3.665) 6.922 2.793 ( 9.268 17.359 2.699) 19.862 3.291 ( 5.853 5.857 -3.466) 8.976 4.121 ( 3.418 17.880 -3.407) 18.520 4.903 ( 1.596 23.887 2.610) 24.082 5.644 ( 0.209 6.605 -0.573) 6.633 8.442 ( 8.658 17.471 0.263) 19.500 8.924 ( -4.105 -6.713 -2.955) 8.406 10.558 ( -1.866 -0.883 -3.998) 4.499 10.676 ( 2.285 -4.174 -3.096) 5.677 13.108 ( -2.869 -32.240 11.392) 34.313 14.995 ( -4.149 6.490 -10.507) 13.028 ======================= Grid point 1308 (416/489) ======================= q-point: ( 0.59 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( 2.076 5.247 2.114) 6.026 3.177 ( 14.221 16.122 3.000) 21.706 3.479 ( 8.826 8.101 -3.735) 12.549 4.322 ( 4.563 9.791 -1.467) 10.901 5.132 ( 1.394 16.152 -0.146) 16.213 5.745 ( 1.141 10.671 0.983) 10.777 8.776 ( 0.635 4.362 -1.311) 4.598 8.850 ( 9.799 13.333 -1.688) 16.632 10.511 ( -0.871 -4.061 -2.528) 4.862 10.658 ( 1.082 -1.194 -1.257) 2.044 12.741 ( -6.000 -32.186 7.975) 33.698 14.923 ( -6.958 4.455 -7.383) 11.080 ======================= Grid point 1309 (417/489) ======================= q-point: ( 0.65 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( 2.854 4.245 1.087) 5.230 3.590 ( 14.216 13.277 4.189) 19.897 3.723 ( 8.840 13.739 -4.706) 17.002 4.457 ( 3.732 3.913 -0.868) 5.476 5.279 ( 1.676 8.835 -0.034) 8.993 5.875 ( 1.216 9.669 0.788) 9.777 8.763 ( -0.377 4.535 -1.533) 4.802 9.278 ( 14.432 18.721 0.240) 23.639 10.403 ( -3.475 -7.527 -2.588) 8.686 10.719 ( 4.035 4.795 -0.193) 6.270 12.325 ( -9.066 -28.510 4.340) 30.230 14.810 ( -6.718 0.638 -3.791) 7.740 ======================= Grid point 1310 (418/489) ======================= q-point: ( 0.71 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( 2.411 3.100 -0.151) 3.930 3.898 ( 7.292 10.783 0.765) 13.040 4.052 ( 9.839 19.754 -0.561) 22.076 4.528 ( 1.977 1.620 -1.531) 2.979 5.367 ( 1.516 2.755 0.697) 3.221 5.966 ( 1.397 3.555 0.633) 3.871 8.858 ( 4.118 8.035 -0.107) 9.029 9.663 ( 8.993 16.170 0.696) 18.515 10.252 ( -3.914 -7.476 -1.888) 8.647 10.870 ( 5.041 8.659 -0.400) 10.028 11.915 ( -10.709 -20.278 1.204) 22.964 14.695 ( -3.388 -4.351 -0.789) 5.571 ======================= Grid point 1311 (419/489) ======================= q-point: ( 0.76 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( 1.299 2.342 -1.430) 3.036 4.091 ( 1.125 13.721 -1.086) 13.810 4.394 ( 6.295 19.342 3.159) 20.585 4.557 ( 0.580 1.771 -3.148) 3.658 5.379 ( -1.090 -1.715 -0.368) 2.065 6.006 ( 3.756 -4.769 1.890) 6.358 9.041 ( 6.477 8.968 0.140) 11.063 9.876 ( -0.606 9.452 0.218) 9.474 10.145 ( 1.864 -6.810 -0.185) 7.063 11.018 ( -0.999 11.418 1.022) 11.507 11.602 ( -8.156 -7.819 -2.121) 11.496 14.613 ( 1.738 -8.886 0.882) 9.097 ======================= Grid point 1324 (420/489) ======================= q-point: ( 0.53 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( 0.000 4.850 1.735) 5.151 2.878 ( 0.000 15.486 2.111) 15.629 3.277 ( -0.000 5.099 -3.139) 5.988 4.244 ( -0.000 13.152 -1.095) 13.198 5.118 ( 0.000 19.738 0.111) 19.738 5.731 ( 0.000 11.517 0.523) 11.529 8.524 ( 0.000 15.453 -0.278) 15.455 8.894 ( -0.000 -3.059 -5.895) 6.641 10.543 ( -0.000 -4.218 -2.108) 4.715 10.621 ( 0.000 -1.117 0.516) 1.231 12.835 ( 0.000 -34.139 9.638) 35.473 15.071 ( -0.000 7.093 -9.471) 11.832 ======================= Grid point 1325 (421/489) ======================= q-point: ( 0.59 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( 0.907 4.348 1.516) 4.693 3.116 ( 9.699 13.292 2.346) 16.620 3.385 ( 7.397 5.781 -3.239) 9.931 4.362 ( 1.434 7.881 0.886) 8.059 5.276 ( -0.578 13.432 -1.604) 13.540 5.867 ( -0.083 14.708 0.594) 14.720 8.758 ( 9.639 13.646 -0.461) 16.713 8.846 ( -1.280 2.250 -6.314) 6.824 10.485 ( -1.259 -5.006 1.402) 5.349 10.632 ( 1.181 0.971 0.307) 1.559 12.501 ( -2.088 -34.247 7.011) 35.020 15.066 ( -5.268 6.242 -7.626) 11.174 ======================= Grid point 1326 (422/489) ======================= q-point: ( 0.65 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( 1.982 3.765 2.125) 4.756 3.459 ( 14.571 9.648 3.385) 17.800 3.624 ( 13.179 9.409 -4.265) 16.745 4.452 ( 1.747 3.840 2.132) 4.727 5.361 ( -1.149 8.110 -1.440) 8.316 5.999 ( -1.476 13.179 -0.609) 13.275 8.823 ( -1.438 6.071 -4.091) 7.461 9.155 ( 17.451 13.765 -0.992) 22.249 10.398 ( -3.464 -5.377 1.811) 6.647 10.693 ( 3.379 3.340 0.558) 4.784 12.144 ( -3.256 -31.223 4.571) 31.723 14.968 ( -9.412 4.052 -5.330) 11.550 ======================= Grid point 1327 (423/489) ======================= q-point: ( 0.71 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( 2.042 2.957 2.193) 4.210 3.794 ( 14.043 6.544 2.475) 15.690 3.992 ( 16.272 14.217 -3.602) 21.905 4.513 ( 1.436 1.627 2.585) 3.375 5.393 ( -1.222 2.985 -0.305) 3.240 6.055 ( -4.076 8.104 -1.803) 9.249 8.891 ( 1.630 9.180 -1.677) 9.473 9.582 ( 16.101 11.585 -0.904) 19.857 10.278 ( -5.493 -3.883 0.965) 6.795 10.820 ( 7.223 3.864 0.132) 8.193 11.821 ( -3.425 -23.502 3.033) 23.943 14.801 ( -10.787 0.770 -2.936) 11.206 ======================= Grid point 1342 (424/489) ======================= q-point: ( 0.59 0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( 0.000 3.818 2.298) 4.456 3.155 ( 0.000 10.787 2.169) 11.003 3.359 ( -0.000 5.115 -2.712) 5.790 4.421 ( 0.000 5.097 2.543) 5.696 5.392 ( -0.000 9.764 -2.335) 10.039 6.024 ( 0.000 15.674 -0.532) 15.684 8.787 ( 0.000 11.148 -0.393) 11.155 8.872 ( -0.000 4.983 -6.719) 8.365 10.460 ( 0.000 -4.272 4.430) 6.154 10.640 ( 0.000 2.464 0.402) 2.496 12.192 ( 0.000 -34.526 4.666) 34.840 15.155 ( -0.000 6.414 -6.778) 9.331 ======================= Grid point 1343 (425/489) ======================= q-point: ( 0.65 0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( 0.905 3.467 3.936) 5.323 3.339 ( 9.316 7.227 2.832) 12.126 3.485 ( 9.315 6.512 -3.141) 11.792 4.477 ( 0.635 3.001 3.642) 4.761 5.453 ( -1.384 6.528 -2.204) 7.027 6.156 ( -1.389 13.209 -2.101) 13.447 8.906 ( -1.217 8.662 -4.147) 9.680 8.997 ( 12.199 9.324 -0.715) 15.370 10.420 ( -2.314 -3.142 4.877) 6.246 10.682 ( 1.434 2.875 0.247) 3.222 11.867 ( -0.130 -31.751 2.531) 31.851 15.140 ( -6.288 5.322 -5.470) 9.889 ======================= Grid point 1344 (426/489) ======================= q-point: (-0.29 -0.41 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( 1.356 2.779 4.828) 5.733 3.606 ( 13.868 3.976 2.779) 14.692 3.788 ( 17.599 8.593 -3.256) 19.853 4.526 ( 0.714 2.008 4.303) 4.801 5.459 ( -2.851 3.024 -1.417) 4.391 6.211 ( -4.190 8.826 -3.535) 10.390 8.977 ( -0.672 11.078 -1.197) 11.163 9.362 ( 18.945 7.701 -0.979) 20.474 10.354 ( -4.449 -0.398 3.203) 5.497 10.734 ( 3.345 -1.299 -0.095) 3.589 11.606 ( 1.750 -23.256 2.012) 23.409 15.014 ( -11.436 3.512 -3.920) 12.589 ======================= Grid point 1360 (427/489) ======================= q-point: (-0.35 -0.35 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( 0.000 3.150 6.268) 7.015 3.323 ( 0.000 4.583 2.657) 5.297 3.451 ( -0.000 5.697 -2.427) 6.193 4.511 ( 0.000 2.390 4.565) 5.153 5.515 ( -0.000 4.641 -2.381) 5.216 6.278 ( -0.000 10.383 -3.604) 10.991 8.962 ( 0.000 6.634 0.338) 6.642 9.010 ( -0.000 11.653 -1.789) 11.790 10.431 ( 0.000 -2.339 5.505) 5.981 10.703 ( -0.000 3.210 -0.440) 3.240 11.559 ( -0.000 -29.485 -0.008) 29.485 15.232 ( -0.000 4.902 -5.007) 7.007 ======================= Grid point 1361 (428/489) ======================= q-point: (-0.29 -0.35 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( 0.405 2.373 7.608) 7.980 3.444 ( 8.805 2.122 2.693) 9.449 3.593 ( 10.862 5.444 -2.260) 12.358 4.553 ( 0.341 2.500 5.162) 5.746 5.525 ( -2.076 2.283 -2.013) 3.685 6.330 ( -2.212 6.199 -4.936) 8.227 9.122 ( -0.347 12.130 1.553) 12.234 9.137 ( 11.579 6.432 0.669) 13.263 10.412 ( -1.171 -1.551 3.826) 4.291 10.705 ( -2.173 -1.328 -1.327) 2.872 11.333 ( 4.325 -20.241 -0.631) 20.708 15.201 ( -6.813 3.739 -4.233) 8.850 ======================= Grid point 1378 (429/489) ======================= q-point: (-0.29 -0.29 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( 0.000 1.424 9.475) 9.582 3.384 ( 0.000 0.248 2.328) 2.342 3.536 ( -0.000 3.707 -1.538) 4.013 4.598 ( 0.000 3.584 5.878) 6.885 5.553 ( -0.000 0.635 -2.067) 2.162 6.373 ( -0.000 2.048 -6.102) 6.437 9.060 ( 0.000 2.844 1.196) 3.085 9.301 ( 0.000 15.302 6.196) 16.508 10.383 ( 0.000 -6.661 1.365) 6.799 10.741 ( -0.000 0.797 -1.320) 1.541 11.105 ( -0.000 -12.438 -2.547) 12.696 15.280 ( -0.000 2.833 -4.216) 5.079 ======================= Grid point 1541 (430/489) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 0.000 -0.000 16.674) 16.674 1.053 ( 0.000 -0.000 16.674) 16.674 2.172 ( 0.000 -0.000 36.884) 36.884 2.965 ( -0.000 0.000 -3.555) 3.555 2.965 ( -0.000 0.000 -3.555) 3.555 6.535 ( -0.000 0.000 -15.550) 15.550 7.398 ( 0.000 -0.000 1.138) 1.138 7.398 ( 0.000 -0.000 1.138) 1.138 11.054 ( -0.000 0.000 -0.857) 0.857 11.054 ( -0.000 0.000 -0.857) 0.857 14.484 ( 0.000 -0.000 3.382) 3.382 14.698 ( -0.000 0.000 -1.927) 1.927 ======================= Grid point 1542 (431/489) ======================= q-point: ( 0.35 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 11.353 6.555 14.050) 19.216 1.489 ( 25.703 14.840 13.846) 32.750 2.310 ( 3.870 2.235 26.994) 27.361 2.964 ( 1.355 0.782 -3.364) 3.710 3.129 ( 14.019 8.094 -0.874) 16.212 6.079 ( -16.948 -9.785 -6.646) 20.667 7.464 ( 4.987 2.879 0.935) 5.834 8.394 ( 59.094 34.118 -16.366) 70.171 10.756 ( -22.803 -13.166 -1.761) 26.390 11.018 ( -2.856 -1.649 -0.819) 3.398 14.432 ( -5.196 -3.000 5.502) 8.141 14.785 ( 6.217 3.589 -6.664) 9.795 ======================= Grid point 1543 (432/489) ======================= q-point: ( 0.41 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 17.482 10.093 9.915) 22.490 2.022 ( 11.452 6.612 22.275) 25.905 2.655 ( 24.988 14.427 2.844) 28.993 3.004 ( 2.926 1.689 -3.054) 4.554 3.554 ( 21.537 12.434 3.376) 25.097 5.793 ( -7.715 -4.454 -6.725) 11.161 7.630 ( 9.142 5.278 0.711) 10.581 9.450 ( 25.694 14.834 -4.327) 29.982 10.237 ( -9.920 -5.727 -15.557) 19.319 10.925 ( -4.791 -2.766 -0.775) 5.586 14.295 ( -8.826 -5.095 9.900) 14.208 14.843 ( 0.789 0.456 -12.466) 12.499 ======================= Grid point 1544 (433/489) ======================= q-point: ( 0.47 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 18.771 10.837 6.705) 22.688 2.241 ( 5.177 2.989 18.422) 19.368 3.075 ( 3.973 2.294 -2.690) 5.318 3.350 ( 32.380 18.694 -6.079) 37.880 4.088 ( 23.006 13.283 5.484) 27.125 5.646 ( -3.617 -2.088 -5.701) 7.067 7.882 ( 12.511 7.223 0.567) 14.458 9.300 ( -21.040 -12.148 7.324) 25.375 10.494 ( 20.816 12.018 -22.583) 32.980 10.805 ( -5.207 -3.006 -0.731) 6.057 14.068 ( -15.075 -8.703 11.490) 20.857 14.774 ( -1.605 -0.927 -12.533) 12.669 ======================= Grid point 1545 (434/489) ======================= q-point: ( 0.53 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 7.505 4.333 10.833) 13.873 2.489 ( 17.441 10.069 4.423) 20.619 3.164 ( 4.375 2.526 -2.315) 5.558 4.003 ( 25.349 14.635 -9.169) 30.673 4.609 ( 20.232 11.681 5.941) 24.105 5.600 ( 1.259 0.727 -2.372) 2.783 8.194 ( 14.168 8.180 0.487) 16.367 8.905 ( -13.665 -7.889 4.918) 16.527 10.696 ( -3.854 -2.225 -0.636) 4.495 10.743 ( 6.359 3.671 -16.642) 18.190 13.635 ( -25.154 -14.523 5.566) 29.574 14.761 ( 3.280 1.894 -4.289) 5.722 ======================= Grid point 1546 (435/489) ======================= q-point: ( 0.59 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 8.585 4.956 4.010) 10.693 2.870 ( 14.620 8.441 2.732) 17.101 3.256 ( 4.146 2.394 -1.891) 5.147 4.407 ( 12.488 7.210 -11.133) 18.218 5.033 ( 14.909 8.608 5.700) 18.135 5.714 ( 8.837 5.102 1.914) 10.382 8.514 ( 13.254 7.652 0.317) 15.308 8.728 ( -2.975 -1.718 3.897) 5.195 10.635 ( -1.108 -0.640 -0.375) 1.334 10.727 ( -2.364 -1.365 -13.170) 13.450 12.984 ( -31.488 -18.180 0.672) 36.366 14.878 ( 6.444 3.721 2.295) 7.787 ======================= Grid point 1547 (436/489) ======================= q-point: ( 0.65 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( 7.182 4.147 -2.146) 8.566 3.169 ( 10.808 6.240 1.034) 12.523 3.339 ( 3.545 2.047 -1.019) 4.218 4.542 ( 3.567 2.059 -9.696) 10.535 5.324 ( 9.161 5.289 4.527) 11.506 5.978 ( 11.947 6.898 4.344) 14.463 8.782 ( 6.332 3.656 2.420) 7.702 8.784 ( 10.023 5.787 -0.104) 11.574 10.603 ( -4.332 -2.501 -10.070) 11.244 10.643 ( 1.657 0.957 0.145) 1.919 12.243 ( -32.237 -18.612 -0.339) 37.226 15.041 ( 6.397 3.693 4.629) 8.718 ======================= Grid point 1548 (437/489) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( 4.291 2.478 -7.070) 8.633 3.348 ( 4.282 2.472 -2.434) 5.511 3.429 ( 4.833 2.790 1.932) 5.906 4.566 ( 1.678 0.969 -6.940) 7.206 5.489 ( 4.455 2.572 2.916) 5.913 6.235 ( 8.359 4.826 5.471) 11.094 8.967 ( 6.039 3.486 -0.701) 7.008 9.006 ( 12.294 7.098 -0.771) 14.217 10.489 ( -3.282 -1.895 -6.561) 7.577 10.697 ( 2.468 1.425 0.806) 2.961 11.554 ( -26.776 -15.459 1.195) 30.942 15.185 ( 4.639 2.679 4.752) 7.161 ======================= Grid point 1559 (438/489) ======================= q-point: ( 0.35 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 0.000 14.347 11.476) 18.372 1.494 ( 0.000 30.169 13.322) 32.979 2.400 ( 0.000 2.779 24.938) 25.092 2.973 ( -0.000 2.510 -3.617) 4.403 3.097 ( 0.000 14.693 0.176) 14.694 6.058 ( -0.000 -19.180 -7.141) 20.467 7.449 ( 0.000 4.999 1.230) 5.148 8.351 ( -0.000 65.380 -13.534) 66.766 10.781 ( -0.000 -22.604 -2.858) 22.784 11.016 ( -0.000 -3.326 -0.775) 3.415 14.437 ( 0.000 -7.229 5.701) 9.206 14.762 ( -0.000 6.218 -6.041) 8.670 ======================= Grid point 1560 (439/489) ======================= q-point: ( 0.41 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 7.468 18.211 9.055) 21.665 1.985 ( 12.776 21.351 17.055) 30.165 2.552 ( 6.840 12.773 7.948) 16.526 2.998 ( 0.824 4.100 -3.143) 5.232 3.400 ( 13.518 18.016 3.664) 22.820 5.825 ( -5.467 -9.302 -6.629) 12.663 7.570 ( 5.662 7.748 0.984) 9.646 9.174 ( 25.996 41.057 -9.140) 49.447 10.371 ( -16.243 -17.934 -9.034) 25.828 10.955 ( -2.309 -3.990 -0.871) 4.691 14.345 ( -3.088 -10.381 8.949) 14.050 14.810 ( 0.932 3.547 -10.446) 11.071 ======================= Grid point 1561 (440/489) ======================= q-point: ( 0.47 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 12.336 19.035 6.589) 23.620 2.281 ( 2.504 5.395 19.437) 20.327 3.045 ( 18.106 19.731 -5.725) 27.385 3.068 ( 8.301 11.780 -2.718) 14.665 3.885 ( 19.273 17.781 5.179) 26.729 5.662 ( -3.614 -4.037 -5.850) 7.974 7.794 ( 9.023 11.079 0.744) 14.308 9.487 ( -11.860 -14.930 9.410) 21.263 10.243 ( 14.158 18.375 -23.210) 32.814 10.860 ( -3.997 -2.860 -1.346) 5.096 14.175 ( -7.059 -14.351 11.447) 19.668 14.776 ( -2.599 1.535 -12.854) 13.204 ======================= Grid point 1562 (441/489) ======================= q-point: ( 0.53 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 11.677 16.172 5.481) 20.686 2.431 ( 4.812 7.699 11.437) 14.603 3.152 ( 2.219 6.760 -2.024) 7.397 3.712 ( 24.944 21.202 -7.664) 33.622 4.408 ( 19.729 15.229 5.015) 25.423 5.586 ( -0.445 -0.557 -3.460) 3.532 8.095 ( 10.910 14.037 0.705) 17.792 9.072 ( -15.453 -13.679 5.458) 21.348 10.564 ( 10.563 5.233 -13.128) 17.643 10.768 ( -3.868 0.237 -3.440) 5.182 13.844 ( -16.259 -19.294 6.972) 26.177 14.732 ( 0.291 2.598 -6.851) 7.333 ======================= Grid point 1563 (442/489) ======================= q-point: ( 0.59 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 5.887 5.846 6.052) 10.270 2.794 ( 11.010 17.689 2.909) 21.037 3.253 ( 1.837 7.561 -1.375) 7.902 4.218 ( 16.430 12.376 -9.125) 22.503 4.871 ( 16.655 11.139 4.696) 20.580 5.636 ( 5.629 3.745 0.047) 6.761 8.434 ( 10.440 15.737 0.764) 18.900 8.792 ( -7.028 -6.068 4.517) 10.325 10.634 ( 1.451 -1.189 -4.284) 4.677 10.705 ( -2.451 -0.737 -8.527) 8.903 13.286 ( -25.586 -21.449 0.736) 33.395 14.802 ( 5.592 2.134 0.953) 6.061 ======================= Grid point 1564 (443/489) ======================= q-point: ( 0.65 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( 6.004 4.980 0.460) 7.814 3.132 ( 7.584 16.273 1.078) 17.986 3.353 ( 0.992 8.163 -0.382) 8.232 4.460 ( 6.326 4.689 -8.947) 11.919 5.217 ( 11.508 6.562 4.387) 13.955 5.849 ( 11.602 6.560 2.586) 13.577 8.730 ( 3.946 3.738 3.254) 6.335 8.759 ( 5.557 12.494 1.406) 13.747 10.594 ( -3.100 -4.693 -9.212) 10.793 10.642 ( 0.607 1.802 -0.868) 2.091 12.588 ( -29.986 -20.516 -1.640) 36.370 14.945 ( 8.041 0.101 4.427) 9.180 ======================= Grid point 1565 (444/489) ======================= q-point: ( 0.71 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 4.269 3.240 -4.471) 6.979 3.364 ( 1.944 12.494 -2.273) 12.847 3.458 ( 1.002 10.488 2.350) 10.795 4.526 ( 2.013 1.725 -6.719) 7.223 5.428 ( 6.599 2.562 3.112) 7.733 6.126 ( 11.382 4.968 4.029) 13.057 8.875 ( 9.383 4.295 2.164) 10.544 8.993 ( 2.385 15.105 0.268) 15.294 10.476 ( -1.681 -4.524 -6.799) 8.338 10.684 ( 1.258 2.689 -0.118) 2.971 11.884 ( -28.711 -16.391 -0.974) 33.075 15.091 ( 8.014 -2.172 4.912) 9.647 ======================= Grid point 1577 (445/489) ======================= q-point: ( 0.41 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 0.000 19.226 6.348) 20.247 2.171 ( 0.000 21.510 18.309) 28.247 2.664 ( 0.000 20.051 0.441) 20.056 3.016 ( -0.000 4.014 -3.554) 5.361 3.511 ( 0.000 23.821 6.011) 24.568 5.754 ( -0.000 -8.639 -6.279) 10.680 7.611 ( 0.000 10.508 1.246) 10.582 9.350 ( 0.000 32.774 -0.751) 32.783 10.304 ( -0.000 -12.502 -16.873) 21.000 10.919 ( -0.000 -5.737 -0.590) 5.767 14.275 ( 0.000 -14.512 10.657) 18.005 14.813 ( -0.000 4.457 -11.086) 11.948 ======================= Grid point 1578 (446/489) ======================= q-point: ( 0.47 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 8.064 20.332 4.718) 22.376 2.377 ( 0.330 6.629 17.052) 18.298 3.014 ( 10.688 31.956 -6.847) 34.385 3.075 ( 2.881 5.969 -2.865) 7.221 3.861 ( 9.175 24.288 6.630) 26.796 5.647 ( -1.872 -4.712 -5.379) 7.392 7.787 ( 6.020 13.280 1.039) 14.618 9.498 ( -3.692 -13.268 10.033) 17.039 10.231 ( 2.052 18.683 -23.555) 30.135 10.856 ( -0.510 -5.059 -1.184) 5.220 14.126 ( -2.688 -18.875 12.391) 22.738 14.803 ( -1.898 3.995 -12.734) 13.480 ======================= Grid point 1579 (447/489) ======================= q-point: ( 0.53 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 10.835 20.135 3.730) 23.167 2.481 ( 1.586 5.937 10.305) 11.998 3.177 ( 3.148 7.443 -2.450) 8.445 3.560 ( 17.375 27.577 -6.060) 33.153 4.308 ( 13.452 21.082 5.103) 25.524 5.578 ( -0.811 -0.958 -3.500) 3.718 8.077 ( 9.745 16.663 0.900) 19.325 9.173 ( -12.195 -17.592 4.202) 21.814 10.445 ( 6.798 10.516 -11.604) 17.072 10.797 ( -1.405 -2.339 -2.942) 4.013 13.864 ( -8.222 -23.541 9.980) 26.858 14.761 ( -2.599 4.265 -9.994) 11.172 ======================= Grid point 1580 (448/489) ======================= q-point: ( 0.59 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 3.271 6.118 5.469) 8.834 2.819 ( 10.891 21.113 2.668) 23.906 3.304 ( 2.529 9.357 -1.436) 9.798 4.061 ( 15.488 17.591 -6.007) 24.195 4.744 ( 13.881 15.628 3.286) 21.160 5.596 ( 2.874 3.208 -0.825) 4.385 8.441 ( 10.561 19.710 1.025) 22.384 8.863 ( -8.394 -9.368 2.819) 12.891 10.556 ( 3.692 0.913 -6.171) 7.248 10.730 ( -3.009 -2.241 -3.764) 5.314 13.426 ( -16.771 -25.469 3.695) 30.718 14.760 ( 1.092 2.686 -2.966) 4.148 ======================= Grid point 1581 (449/489) ======================= q-point: ( 0.65 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 4.249 5.528 1.593) 7.152 3.201 ( 7.847 21.396 1.071) 22.815 3.437 ( 1.335 10.983 0.013) 11.064 4.371 ( 8.110 8.050 -6.396) 13.095 5.102 ( 11.766 9.400 2.988) 15.353 5.743 ( 8.369 6.268 1.174) 10.522 8.724 ( -0.341 -0.955 3.298) 3.450 8.826 ( 7.467 20.449 1.172) 21.801 10.557 ( -1.057 -4.368 -7.298) 8.571 10.656 ( -0.831 0.815 -0.637) 1.327 12.830 ( -23.616 -23.743 -0.938) 33.501 14.826 ( 5.368 -1.134 2.252) 5.930 ======================= Grid point 1582 (450/489) ======================= q-point: ( 0.71 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( 3.466 4.037 -2.044) 5.699 3.489 ( 1.269 18.326 -2.961) 18.607 3.584 ( 1.555 15.175 3.834) 15.729 4.489 ( 2.709 3.035 -5.523) 6.859 5.342 ( 7.589 3.717 2.490) 8.809 5.984 ( 11.399 4.926 2.399) 12.648 8.788 ( 5.871 2.838 3.168) 7.250 9.144 ( 3.183 21.878 1.261) 22.144 10.432 ( -2.374 -6.663 -5.230) 8.796 10.700 ( 1.190 4.604 -0.841) 4.830 12.177 ( -25.769 -19.029 -2.391) 32.122 14.923 ( 7.952 -5.134 4.106) 10.318 ======================= Grid point 1595 (451/489) ======================= q-point: ( 0.47 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 0.000 20.081 3.029) 20.308 2.480 ( 0.000 4.461 11.465) 12.303 3.084 ( -0.000 4.893 -3.239) 5.868 3.249 ( -0.000 35.364 -6.025) 35.874 4.073 ( 0.000 27.592 7.147) 28.503 5.606 ( -0.000 -3.016 -4.376) 5.315 7.874 ( 0.000 14.928 0.917) 14.956 9.402 ( 0.000 -19.515 6.628) 20.610 10.345 ( -0.000 19.879 -19.219) 27.650 10.793 ( -0.000 -6.313 -0.227) 6.317 13.981 ( 0.000 -23.099 13.252) 26.630 14.830 ( -0.000 5.663 -12.814) 14.009 ======================= Grid point 1596 (452/489) ======================= q-point: ( 0.53 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 8.603 19.583 2.159) 21.498 2.547 ( 0.211 4.680 5.959) 7.580 3.165 ( 4.266 5.783 -2.884) 7.743 3.629 ( 6.908 30.112 -3.855) 31.134 4.409 ( 4.717 26.141 5.157) 27.059 5.574 ( -0.391 0.246 -2.806) 2.844 8.096 ( 7.145 16.905 0.634) 18.364 9.164 ( -6.177 -17.738 1.004) 18.809 10.464 ( 0.477 10.633 -8.846) 13.840 10.750 ( 1.473 -4.535 -1.457) 4.986 13.744 ( -3.503 -27.298 11.805) 29.946 14.828 ( -2.559 6.335 -11.393) 13.285 ======================= Grid point 1597 (453/489) ======================= q-point: ( 0.59 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 1.814 5.584 2.733) 6.476 2.825 ( 12.722 19.571 1.994) 23.427 3.314 ( 5.802 7.674 -2.314) 9.895 4.020 ( 9.503 20.425 -2.099) 22.625 4.757 ( 6.601 20.880 2.006) 21.990 5.596 ( 1.232 4.443 -0.827) 4.684 8.446 ( 11.763 19.359 0.499) 22.658 8.901 ( -6.832 -10.285 -0.791) 12.372 10.517 ( 0.883 2.316 -2.875) 3.796 10.719 ( -0.305 -3.905 -2.191) 4.488 13.386 ( -8.833 -29.614 7.402) 31.777 14.804 ( -3.155 5.052 -7.062) 9.238 ======================= Grid point 1598 (454/489) ======================= q-point: ( 0.65 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 3.066 5.445 1.101) 6.345 3.248 ( 12.163 20.427 1.407) 23.815 3.490 ( 4.971 9.924 -1.297) 11.175 4.316 ( 7.172 10.540 -1.831) 12.880 5.051 ( 7.262 13.577 0.666) 15.411 5.704 ( 4.275 7.507 0.415) 8.649 8.738 ( -2.025 -1.802 0.357) 2.734 8.875 ( 11.547 20.539 0.313) 23.564 10.516 ( -0.883 -3.241 -2.609) 4.253 10.668 ( -0.339 -0.592 -0.610) 0.915 12.906 ( -14.894 -28.237 2.210) 32.000 14.784 ( -0.916 1.080 -1.810) 2.298 ======================= Grid point 1599 (455/489) ======================= q-point: ( 0.71 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( 2.811 4.420 -0.529) 5.265 3.627 ( 5.133 20.381 -3.321) 21.278 3.680 ( 6.288 13.314 3.981) 15.253 4.465 ( 2.862 4.441 -2.382) 5.795 5.274 ( 6.336 6.511 1.019) 9.142 5.876 ( 7.212 5.852 0.772) 9.320 8.748 ( 2.975 2.831 1.498) 4.371 9.276 ( 8.480 22.141 0.780) 23.722 10.401 ( -3.688 -7.496 -2.068) 8.606 10.720 ( 2.443 5.763 -0.445) 6.276 12.353 ( -19.111 -23.187 -1.341) 30.078 14.784 ( 2.675 -4.219 1.715) 5.281 ======================= Grid point 1613 (456/489) ======================= q-point: ( 0.53 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( 0.000 18.715 1.286) 18.759 2.601 ( 0.000 4.496 1.632) 4.783 3.166 ( -0.000 5.170 -2.601) 5.787 3.853 ( 0.000 26.357 -1.138) 26.381 4.654 ( 0.000 26.325 3.304) 26.532 5.586 ( -0.000 3.287 -1.653) 3.680 8.198 ( 0.000 16.799 0.232) 16.801 9.050 ( -0.000 -14.396 -2.920) 14.689 10.534 ( -0.000 5.838 -4.421) 7.323 10.681 ( 0.000 -4.587 0.264) 4.595 13.522 ( 0.000 -30.870 11.273) 32.864 14.888 ( -0.000 7.674 -10.961) 13.380 ======================= Grid point 1614 (457/489) ======================= q-point: ( 0.59 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( 0.810 5.263 -0.095) 5.326 2.812 ( 9.505 17.443 1.130) 19.896 3.263 ( 5.759 5.699 -2.347) 8.435 4.111 ( 3.286 18.747 1.336) 19.080 4.916 ( 1.286 21.981 0.178) 22.019 5.639 ( 0.432 7.720 -0.394) 7.743 8.443 ( 8.784 17.215 -0.116) 19.327 8.887 ( -3.418 -8.342 -4.661) 10.149 10.540 ( -1.383 0.708 0.827) 1.760 10.662 ( 1.356 -3.543 -0.286) 3.804 13.204 ( -3.580 -33.198 8.589) 34.477 14.903 ( -3.379 7.296 -8.763) 11.893 ======================= Grid point 1615 (458/489) ======================= q-point: ( 0.65 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( 2.230 5.333 0.182) 5.783 3.199 ( 14.567 16.718 1.407) 22.218 3.449 ( 8.691 7.413 -2.410) 11.675 4.327 ( 3.914 10.495 2.652) 11.511 5.124 ( 1.673 15.323 -1.621) 15.499 5.749 ( 1.270 10.874 -0.064) 10.948 8.755 ( -1.086 0.477 -3.021) 3.245 8.837 ( 13.120 16.033 -1.147) 20.749 10.510 ( -2.106 -3.534 2.415) 4.771 10.652 ( 1.115 -0.347 0.013) 1.168 12.802 ( -7.260 -32.641 4.829) 33.785 14.862 ( -5.454 4.709 -5.277) 8.931 ======================= Grid point 1631 (459/489) ======================= q-point: ( 0.59 0.59 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( -0.000 5.344 -0.956) 5.429 2.892 ( 0.000 15.813 0.631) 15.826 3.253 ( -0.000 4.984 -1.743) 5.280 4.257 ( 0.000 13.635 3.839) 14.166 5.109 ( -0.000 18.301 -2.050) 18.416 5.733 ( 0.000 12.044 -0.184) 12.045 8.521 ( 0.000 15.275 -0.337) 15.279 8.834 ( -0.000 -3.971 -6.565) 7.673 10.554 ( 0.000 -2.617 4.223) 4.968 10.626 ( 0.000 -1.060 0.539) 1.190 12.915 ( 0.000 -35.574 7.199) 36.295 14.985 ( -0.000 8.059 -8.286) 11.559 ======================= Grid point 1632 (460/489) ======================= q-point: (-0.35 -0.41 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( 1.090 5.540 0.360) 5.658 3.132 ( 10.059 13.904 0.957) 17.188 3.360 ( 6.960 5.406 -1.825) 9.001 4.392 ( 1.255 7.993 5.267) 9.654 5.253 ( -0.396 13.179 -3.132) 13.552 5.866 ( -0.091 14.249 -0.959) 14.281 8.752 ( 8.163 12.295 -1.137) 14.802 8.790 ( 0.862 3.449 -5.144) 6.252 10.521 ( -1.884 -4.428 5.957) 7.658 10.636 ( 1.125 1.181 0.479) 1.700 12.557 ( -2.368 -35.565 4.686) 35.950 14.998 ( -4.695 6.983 -6.503) 10.635 ======================= Grid point 1649 (461/489) ======================= q-point: (-0.35 -0.35 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( 0.000 5.724 2.208) 6.135 3.170 ( 0.000 11.549 0.868) 11.582 3.340 ( -0.000 4.668 -1.168) 4.812 4.464 ( 0.000 4.826 6.487) 8.085 5.363 ( -0.000 10.043 -3.646) 10.685 6.010 ( -0.000 14.804 -2.426) 15.002 8.785 ( 0.000 11.311 -0.154) 11.312 8.816 ( -0.000 5.951 -4.876) 7.693 10.518 ( 0.000 -4.174 7.638) 8.704 10.643 ( 0.000 2.231 0.137) 2.235 12.228 ( 0.000 -36.165 2.781) 36.271 15.093 ( -0.000 7.186 -6.119) 9.438 ======================= Grid point 1849 (462/489) ======================= q-point: ( 0.35 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 0.000 -0.000 12.831) 12.831 1.194 ( 0.000 -0.000 12.831) 12.831 2.489 ( 0.000 -0.000 29.482) 29.482 2.932 ( -0.000 0.000 -3.245) 3.245 2.932 ( -0.000 0.000 -3.245) 3.245 6.391 ( -0.000 0.000 -14.255) 14.255 7.408 ( 0.000 -0.000 0.953) 0.953 7.408 ( 0.000 -0.000 0.953) 0.953 11.047 ( -0.000 0.000 -0.716) 0.716 11.047 ( -0.000 0.000 -0.716) 0.716 14.516 ( 0.000 -0.000 3.479) 3.479 14.678 ( -0.000 0.000 -2.281) 2.281 ======================= Grid point 1850 (463/489) ======================= q-point: ( 0.41 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 10.310 5.952 10.921) 16.155 1.603 ( 26.523 15.313 9.983) 32.213 2.529 ( -1.959 -1.131 18.408) 18.546 2.935 ( 1.442 0.832 -2.714) 3.184 3.131 ( 15.774 9.107 1.486) 18.275 6.011 ( -15.857 -9.155 -7.320) 19.719 7.472 ( 4.910 2.835 0.574) 5.698 8.272 ( 55.398 31.984 -9.649) 64.692 10.743 ( -23.842 -13.765 -1.049) 27.550 11.011 ( -2.856 -1.649 -0.637) 3.359 14.485 ( -3.681 -2.125 5.634) 7.057 14.724 ( 3.481 2.010 -6.142) 7.340 ======================= Grid point 1851 (464/489) ======================= q-point: ( 0.47 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 16.367 9.449 7.772) 20.435 2.218 ( 15.391 8.886 18.823) 25.887 2.656 ( 17.278 9.976 -2.416) 20.097 2.979 ( 2.997 1.730 -2.098) 4.047 3.589 ( 22.294 12.871 3.620) 25.996 5.732 ( -7.575 -4.373 -5.795) 10.492 7.634 ( 9.119 5.265 0.272) 10.533 9.412 ( 38.718 22.354 -3.714) 44.862 10.125 ( -22.745 -13.132 -8.201) 27.515 10.918 ( -4.803 -2.773 -0.581) 5.576 14.387 ( -7.285 -4.206 9.387) 12.605 14.730 ( -0.827 -0.478 -11.271) 11.312 ======================= Grid point 1852 (465/489) ======================= q-point: ( 0.53 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 17.939 10.357 5.069) 21.325 2.404 ( 2.442 1.410 15.298) 15.556 3.055 ( 4.009 2.315 -1.473) 4.858 3.285 ( 31.782 18.349 -7.137) 37.386 4.132 ( 23.396 13.508 3.438) 27.233 5.599 ( -2.886 -1.666 -4.018) 5.220 7.886 ( 12.549 7.245 0.180) 14.491 9.373 ( -22.974 -13.264 7.736) 27.633 10.308 ( 23.410 13.516 -16.133) 31.479 10.799 ( -5.220 -3.014 -0.576) 6.055 14.154 ( -16.687 -9.634 5.909) 20.154 14.678 ( 0.807 0.466 -6.946) 7.008 ======================= Grid point 1853 (466/489) ======================= q-point: ( 0.59 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 16.850 9.728 2.974) 19.683 2.525 ( 5.046 2.913 8.669) 10.445 3.148 ( 4.381 2.529 -0.870) 5.133 3.922 ( 24.367 14.068 -7.576) 29.139 4.653 ( 20.664 11.930 3.325) 24.091 5.582 ( 2.613 1.509 -1.286) 3.280 8.197 ( 14.205 8.201 0.275) 16.405 8.956 ( -14.152 -8.171 5.804) 17.341 10.608 ( 7.075 4.085 -11.344) 13.980 10.690 ( -3.825 -2.208 -0.586) 4.455 13.654 ( -26.680 -15.404 -1.395) 30.839 14.751 ( 5.662 3.269 2.097) 6.866 ======================= Grid point 1854 (467/489) ======================= q-point: ( 0.65 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( 6.200 3.579 3.037) 7.776 2.889 ( 14.142 8.165 1.221) 16.375 3.246 ( 4.196 2.423 -0.173) 4.848 4.315 ( 12.115 6.994 -8.126) 16.178 5.080 ( 15.106 8.722 4.092) 17.917 5.728 ( 10.049 5.802 0.979) 11.645 8.517 ( 13.185 7.612 0.350) 15.228 8.774 ( -3.488 -2.014 5.753) 7.023 10.619 ( -1.885 -1.088 -9.332) 9.582 10.631 ( -0.968 -0.559 -0.490) 1.220 12.968 ( -31.535 -18.207 -3.786) 36.610 14.917 ( 7.150 4.128 5.853) 10.120 ======================= Grid point 1867 (468/489) ======================= q-point: ( 0.41 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 0.000 12.865 7.738) 15.013 1.605 ( 0.000 30.477 9.813) 32.018 2.590 ( 0.000 -3.020 14.791) 15.096 2.941 ( -0.000 2.387 -3.034) 3.860 3.114 ( 0.000 17.072 3.303) 17.389 5.989 ( -0.000 -17.819 -6.951) 19.126 7.460 ( 0.000 5.096 1.068) 5.207 8.251 ( -0.000 62.248 -7.916) 62.750 10.758 ( -0.000 -25.164 -1.948) 25.239 11.009 ( -0.000 -3.318 -0.571) 3.366 14.492 ( 0.000 -5.246 5.829) 7.842 14.707 ( -0.000 3.562 -5.705) 6.725 ======================= Grid point 1868 (469/489) ======================= q-point: ( 0.47 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 7.729 16.702 6.006) 19.359 2.124 ( 16.361 26.979 11.924) 33.730 2.601 ( 1.192 3.553 2.632) 4.580 2.972 ( 1.224 3.917 -2.230) 4.670 3.440 ( 13.266 19.290 4.373) 23.816 5.766 ( -5.349 -9.094 -5.299) 11.806 7.578 ( 5.374 7.946 0.654) 9.615 9.104 ( 28.258 47.013 -5.601) 55.138 10.304 ( -18.008 -25.254 -5.025) 31.421 10.948 ( -2.371 -4.118 -0.544) 4.783 14.429 ( -2.315 -8.397 8.790) 12.375 14.715 ( -0.510 1.612 -9.548) 9.697 ======================= Grid point 1869 (470/489) ======================= q-point: ( 0.53 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 12.199 18.078 4.256) 22.221 2.448 ( 0.743 2.446 14.984) 15.201 2.980 ( 22.975 24.149 -7.291) 34.120 3.048 ( 3.810 7.481 -1.394) 8.510 3.926 ( 18.886 18.492 3.127) 26.616 5.615 ( -3.233 -3.693 -3.723) 6.160 7.799 ( 8.872 11.329 0.293) 14.392 9.584 ( -14.770 -18.315 10.442) 25.742 10.046 ( 18.175 22.197 -17.488) 33.599 10.851 ( -4.061 -3.413 -0.671) 5.347 14.268 ( -8.322 -14.022 7.591) 17.986 14.670 ( -1.327 1.745 -8.618) 8.893 ======================= Grid point 1870 (471/489) ======================= q-point: ( 0.59 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 12.431 17.396 2.753) 21.558 2.526 ( 2.457 3.818 7.901) 9.113 3.139 ( 2.429 6.667 -0.447) 7.110 3.647 ( 24.272 21.179 -5.490) 32.677 4.442 ( 19.742 15.617 1.926) 25.246 5.561 ( 0.384 0.059 -1.596) 1.643 8.100 ( 10.871 14.320 0.273) 17.981 9.122 ( -15.504 -14.736 4.830) 21.928 10.459 ( 11.653 7.811 -8.167) 16.233 10.749 ( -4.392 -1.440 -1.051) 4.740 13.876 ( -19.135 -18.984 -0.475) 26.958 14.700 ( 3.728 2.796 0.378) 4.676 ======================= Grid point 1871 (472/489) ======================= q-point: ( 0.65 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( 4.518 4.233 3.679) 7.202 2.813 ( 10.579 17.329 0.965) 20.326 3.249 ( 1.938 7.647 0.519) 7.906 4.146 ( 15.478 12.327 -5.854) 20.635 4.906 ( 17.280 11.348 2.396) 20.811 5.636 ( 6.499 4.343 0.155) 7.818 8.440 ( 10.391 16.041 0.468) 19.118 8.839 ( -6.652 -6.784 5.235) 10.848 10.574 ( 2.417 -0.669 -6.069) 6.567 10.667 ( -3.611 -0.742 -1.317) 3.915 13.267 ( -26.744 -20.746 -4.534) 34.149 14.834 ( 7.372 1.647 5.496) 9.341 ======================= Grid point 1885 (473/489) ======================= q-point: ( 0.47 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 0.000 18.343 3.118) 18.606 2.329 ( 0.000 27.937 14.510) 31.481 2.640 ( -0.000 9.690 -4.923) 10.869 2.986 ( -0.000 3.888 -2.624) 4.691 3.570 ( 0.000 24.767 5.694) 25.413 5.702 ( -0.000 -8.391 -4.311) 9.434 7.622 ( 0.000 10.497 1.028) 10.548 9.349 ( 0.000 44.572 0.569) 44.576 10.172 ( -0.000 -24.992 -11.005) 27.307 10.914 ( -0.000 -5.681 -0.325) 5.690 14.375 ( 0.000 -12.418 10.286) 16.125 14.712 ( -0.000 2.489 -10.024) 10.328 ======================= Grid point 1886 (474/489) ======================= q-point: ( 0.53 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 8.383 19.674 1.959) 21.475 2.512 ( -0.536 1.883 10.249) 10.434 2.948 ( 10.962 33.601 -5.991) 35.848 3.052 ( 3.452 6.004 -1.785) 7.151 3.915 ( 8.389 24.849 4.364) 26.587 5.607 ( -1.701 -4.363 -2.940) 5.529 7.795 ( 5.878 13.308 0.667) 14.563 9.597 ( -5.732 -19.033 10.144) 22.316 10.033 ( 5.504 24.810 -17.222) 30.699 10.849 ( -0.910 -5.326 -0.437) 5.421 14.234 ( -3.439 -17.995 9.956) 20.851 14.694 ( -1.516 3.438 -9.849) 10.541 ======================= Grid point 1887 (475/489) ======================= q-point: ( 0.59 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 11.286 19.983 1.309) 22.987 2.552 ( 1.214 3.328 3.995) 5.340 3.160 ( 3.718 7.173 -0.968) 8.137 3.518 ( 16.867 28.204 -2.441) 32.953 4.342 ( 12.707 21.236 1.870) 24.818 5.555 ( -0.358 -0.452 -1.296) 1.418 8.083 ( 9.728 16.773 0.313) 19.393 9.203 ( -12.077 -19.556 1.734) 23.050 10.366 ( 7.946 13.234 -4.500) 16.078 10.781 ( -1.832 -3.184 -0.762) 3.752 13.932 ( -11.087 -22.891 3.917) 25.734 14.693 ( 0.266 3.978 -3.951) 5.613 ======================= Grid point 1888 (476/489) ======================= q-point: ( 0.65 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 3.161 4.729 1.642) 5.920 2.834 ( 10.666 20.909 0.328) 23.474 3.300 ( 3.117 9.052 0.506) 9.587 4.021 ( 14.259 18.129 -2.235) 23.173 4.763 ( 14.129 15.562 0.682) 21.030 5.592 ( 3.387 3.665 -0.026) 4.991 8.447 ( 10.702 19.891 0.279) 22.590 8.887 ( -7.240 -10.503 2.120) 12.932 10.513 ( 2.966 1.864 -2.284) 4.182 10.711 ( -3.083 -2.321 -0.481) 3.889 13.433 ( -19.410 -24.222 -2.192) 31.117 14.758 ( 4.025 1.587 2.397) 4.946 ======================= Grid point 1903 (477/489) ======================= q-point: ( 0.53 0.53 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 0.000 19.882 0.356) 19.885 2.549 ( 0.000 0.950 2.401) 2.582 3.059 ( -0.000 4.797 -1.930) 5.171 3.210 ( 0.000 36.850 -1.498) 36.881 4.128 ( 0.000 27.403 4.126) 27.712 5.576 ( -0.000 -2.623 -1.868) 3.220 7.881 ( 0.000 14.749 0.618) 14.762 9.447 ( 0.000 -25.172 2.158) 25.264 10.211 ( -0.000 25.932 -8.102) 27.168 10.792 ( -0.000 -6.189 0.060) 6.189 14.096 ( 0.000 -22.725 10.444) 25.010 14.720 ( -0.000 5.306 -9.822) 11.163 ======================= Grid point 1904 (478/489) ======================= q-point: ( 0.59 0.53 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 8.760 19.479 -0.227) 21.359 2.571 ( 0.830 3.236 -1.170) 3.540 3.144 ( 4.390 5.621 -1.416) 7.272 3.615 ( 6.662 31.021 1.065) 31.747 4.443 ( 4.133 25.370 1.772) 25.765 5.557 ( -0.194 0.689 -0.717) 1.013 8.100 ( 7.120 16.728 0.193) 18.181 9.157 ( -5.827 -20.028 -2.322) 20.988 10.420 ( 1.354 13.465 -0.235) 13.535 10.744 ( 0.829 -4.750 -0.026) 4.822 13.837 ( -4.907 -27.216 7.431) 28.636 14.738 ( -1.275 6.198 -7.219) 9.599 ======================= Grid point 1921 (479/489) ======================= q-point: (-0.41 -0.41 -0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 0.000 18.962 -0.883) 18.983 2.588 ( -0.000 4.284 -4.217) 6.012 3.149 ( -0.000 5.101 -0.944) 5.187 3.866 ( 0.000 27.292 3.879) 27.566 4.669 ( 0.000 24.837 -0.008) 24.837 5.577 ( -0.000 3.656 -0.196) 3.661 8.199 ( 0.000 16.556 -0.024) 16.556 9.010 ( -0.000 -15.984 -5.179) 16.802 10.533 ( 0.000 7.759 4.189) 8.818 10.685 ( 0.000 -4.465 0.456) 4.488 13.612 ( 0.000 -31.320 7.331) 32.167 14.798 ( -0.000 7.756 -7.572) 10.839 ======================= Grid point 2158 (480/489) ======================= q-point: ( 0.41 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 0.000 -0.000 8.157) 8.157 1.294 ( 0.000 -0.000 8.157) 8.157 2.724 ( 0.000 -0.000 19.409) 19.409 2.905 ( -0.000 0.000 -2.320) 2.320 2.905 ( -0.000 0.000 -2.320) 2.320 6.273 ( -0.000 0.000 -10.282) 10.282 7.415 ( 0.000 -0.000 0.633) 0.633 7.415 ( 0.000 -0.000 0.633) 0.633 11.041 ( -0.000 0.000 -0.475) 0.475 11.041 ( -0.000 0.000 -0.475) 0.475 14.549 ( 0.000 -0.000 3.246) 3.246 14.655 ( -0.000 0.000 -2.460) 2.460 ======================= Grid point 2159 (481/489) ======================= q-point: ( 0.47 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 9.843 5.683 6.736) 13.212 1.676 ( 26.888 15.524 5.331) 31.502 2.656 ( -5.398 -3.116 8.570) 10.597 2.915 ( 1.576 0.910 -1.483) 2.348 3.154 ( 16.647 9.611 2.830) 19.429 5.949 ( -14.819 -8.556 -5.177) 17.878 7.475 ( 4.797 2.770 0.129) 5.541 8.206 ( 52.897 30.540 -4.571) 61.251 10.736 ( -24.183 -13.962 -0.364) 27.927 11.006 ( -2.858 -1.650 -0.365) 3.321 14.539 ( -2.148 -1.240 5.528) 6.059 14.667 ( 1.122 0.648 -5.811) 5.954 ======================= Grid point 2160 (482/489) ======================= q-point: ( 0.53 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 15.732 9.083 4.547) 18.726 2.373 ( 24.069 13.896 13.021) 30.691 2.615 ( 6.901 3.984 -5.488) 9.676 2.966 ( 3.104 1.792 -0.618) 3.637 3.615 ( 22.239 12.840 1.415) 25.719 5.688 ( -7.301 -4.215 -3.071) 8.972 7.635 ( 9.101 5.254 -0.210) 10.511 9.381 ( 45.777 26.429 -2.744) 52.930 10.079 ( -29.725 -17.162 -1.458) 34.355 10.914 ( -4.831 -2.789 -0.306) 5.586 14.467 ( -7.319 -4.226 6.264) 10.520 14.635 ( -0.981 -0.566 -7.590) 7.674 ======================= Grid point 2161 (483/489) ======================= q-point: ( 0.59 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 17.409 10.051 2.550) 20.263 2.520 ( 0.440 0.254 8.304) 8.320 3.048 ( 4.071 2.350 0.196) 4.705 3.226 ( 32.204 18.593 -4.619) 37.472 4.149 ( 23.556 13.600 -0.145) 27.200 5.573 ( -2.371 -1.369 -1.253) 3.011 7.885 ( 12.640 7.298 -0.234) 14.598 9.435 ( -24.276 -14.015 4.526) 28.394 10.201 ( 24.971 14.417 -5.696) 29.392 10.794 ( -5.273 -3.045 -0.341) 6.099 14.167 ( -18.993 -10.966 -3.566) 22.219 14.656 ( 3.635 2.099 2.708) 4.995 ======================= Grid point 2176 (484/489) ======================= q-point: ( 0.47 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 0.000 11.882 3.164) 12.296 1.677 ( 0.000 30.851 5.216) 31.289 2.683 ( 0.000 -6.266 5.263) 8.183 2.918 ( -0.000 2.212 -1.807) 2.856 3.151 ( 0.000 18.341 3.748) 18.720 5.935 ( -0.000 -16.791 -3.957) 17.251 7.469 ( 0.000 5.232 0.756) 5.286 8.197 ( -0.000 60.290 -3.511) 60.392 10.743 ( -0.000 -26.781 -1.132) 26.805 11.005 ( -0.000 -3.310 -0.285) 3.323 14.547 ( 0.000 -3.153 5.642) 6.463 14.654 ( -0.000 1.245 -5.386) 5.528 ======================= Grid point 2177 (485/489) ======================= q-point: ( 0.53 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 8.379 15.641 2.109) 17.869 2.205 ( 19.000 32.227 4.519) 37.683 2.611 ( -2.297 -3.269 0.162) 3.999 2.957 ( 1.743 3.652 -0.813) 4.127 3.473 ( 12.294 20.010 1.971) 23.567 5.730 ( -5.176 -8.895 -2.047) 10.493 7.582 ( 4.997 8.180 0.230) 9.588 9.069 ( 29.078 49.808 -1.871) 57.705 10.273 ( -18.023 -29.279 -1.617) 34.419 10.945 ( -2.401 -4.165 -0.186) 4.811 14.507 ( -2.337 -6.994 6.754) 10.000 14.632 ( -1.122 0.367 -6.984) 7.083 ======================= Grid point 2178 (486/489) ======================= q-point: ( 0.59 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 12.378 17.412 1.223) 21.398 2.545 ( -0.935 -0.911 4.122) 4.323 2.927 ( 25.259 27.145 -2.433) 37.159 3.042 ( 3.289 6.484 0.233) 7.274 3.939 ( 18.136 19.086 -0.554) 26.335 5.595 ( -2.955 -3.534 -0.461) 4.630 7.799 ( 8.719 11.561 -0.201) 14.481 9.653 ( -20.554 -23.741 1.232) 31.426 9.943 ( 24.899 27.268 -1.155) 36.944 10.847 ( -4.113 -3.564 -0.128) 5.444 14.298 ( -11.804 -13.467 -2.256) 18.049 14.633 ( 1.983 1.595 1.678) 3.048 ======================= Grid point 2194 (487/489) ======================= q-point: ( 0.53 0.53 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 0.000 17.985 -0.703) 17.998 2.428 ( 0.000 39.375 3.950) 39.573 2.591 ( -0.000 -3.570 -2.955) 4.634 2.968 ( -0.000 3.735 -1.109) 3.896 3.610 ( 0.000 25.246 2.477) 25.367 5.677 ( -0.000 -8.269 -0.782) 8.306 7.630 ( 0.000 10.497 0.665) 10.518 9.360 ( 0.000 52.316 1.702) 52.344 10.096 ( -0.000 -33.416 -4.907) 33.775 10.913 ( -0.000 -5.625 -0.012) 5.625 14.463 ( 0.000 -11.086 7.148) 13.190 14.629 ( -0.000 1.299 -6.332) 6.464 ======================= Grid point 2467 (488/489) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 0.000 -0.000 2.809) 2.809 1.347 ( 0.000 -0.000 2.809) 2.809 2.850 ( 0.000 -0.000 6.831) 6.831 2.890 ( -0.000 0.000 -0.848) 0.848 2.890 ( -0.000 0.000 -0.848) 0.848 6.204 ( -0.000 0.000 -3.790) 3.790 7.420 ( 0.000 -0.000 0.222) 0.222 7.420 ( 0.000 -0.000 0.222) 0.222 11.038 ( -0.000 0.000 -0.166) 0.166 11.038 ( -0.000 0.000 -0.166) 0.166 14.575 ( 0.000 -0.000 1.929) 1.929 14.634 ( -0.000 0.000 -1.656) 1.656 ======================= Grid point 2468 (489/489) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 9.854 5.689 1.856) 11.528 1.702 ( 26.933 15.550 0.065) 31.099 2.700 ( -6.177 -3.566 1.283) 7.247 2.908 ( 1.742 1.006 0.158) 2.018 3.171 ( 16.295 9.408 0.033) 18.816 5.920 ( -14.309 -8.261 -0.796) 16.542 7.474 ( 4.665 2.693 -0.336) 5.397 8.182 ( 51.834 29.926 -0.416) 59.854 10.736 ( -23.964 -13.836 0.362) 27.674 11.004 ( -2.862 -1.652 -0.042) 3.305 14.583 ( -0.807 -0.466 1.636) 1.882 14.621 ( -0.697 -0.403 -1.891) 2.056 =================== 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 3/58956 10.0 3395.181 3395.181 7433.633 -0.000 0.000 0.000 3/58956 20.0 1089.749 1089.749 1240.289 -0.000 0.000 0.000 3/58956 30.0 376.035 376.035 269.969 -0.000 0.000 0.000 3/58956 40.0 196.593 196.593 106.937 -0.000 -0.000 0.000 3/58956 50.0 131.163 131.163 58.851 -0.000 -0.000 0.000 3/58956 60.0 97.720 97.720 38.795 -0.000 -0.000 0.000 3/58956 70.0 76.844 76.844 28.390 -0.000 -0.000 0.000 3/58956 80.0 62.473 62.473 22.182 -0.000 -0.000 0.000 3/58956 90.0 52.071 52.071 18.118 0.000 -0.000 0.000 3/58956 100.0 44.297 44.297 15.281 0.000 -0.000 0.000 3/58956 110.0 38.344 38.344 13.202 0.000 -0.000 0.000 3/58956 120.0 33.688 33.688 11.621 0.000 -0.000 0.000 3/58956 130.0 29.977 29.977 10.383 0.000 -0.000 0.000 3/58956 140.0 26.969 26.969 9.389 0.000 -0.000 0.000 3/58956 150.0 24.492 24.492 8.575 0.000 -0.000 0.000 3/58956 160.0 22.424 22.424 7.895 -0.000 -0.000 0.000 3/58956 170.0 20.676 20.676 7.320 -0.000 -0.000 0.000 3/58956 180.0 19.181 19.181 6.827 -0.000 -0.000 0.000 3/58956 190.0 17.889 17.889 6.399 -0.000 -0.000 0.000 3/58956 200.0 16.763 16.763 6.024 -0.000 -0.000 0.000 3/58956 210.0 15.773 15.773 5.693 -0.000 -0.000 0.000 3/58956 220.0 14.896 14.896 5.398 -0.000 -0.000 0.000 3/58956 230.0 14.114 14.114 5.133 -0.000 -0.000 0.000 3/58956 240.0 13.412 13.412 4.894 -0.000 -0.000 0.000 3/58956 250.0 12.778 12.778 4.677 -0.000 -0.000 0.000 3/58956 260.0 12.204 12.204 4.480 -0.000 -0.000 0.000 3/58956 270.0 11.681 11.681 4.299 -0.000 -0.000 0.000 3/58956 280.0 11.202 11.202 4.133 -0.000 -0.000 0.000 3/58956 290.0 10.762 10.762 3.979 -0.000 -0.000 0.000 3/58956 300.0 10.357 10.357 3.837 -0.000 -0.000 0.000 3/58956 310.0 9.982 9.982 3.705 -0.000 -0.000 0.000 3/58956 320.0 9.634 9.634 3.582 -0.000 -0.000 0.000 3/58956 330.0 9.310 9.310 3.468 -0.000 -0.000 0.000 3/58956 340.0 9.008 9.008 3.360 -0.000 -0.000 0.000 3/58956 350.0 8.725 8.725 3.259 -0.000 -0.000 0.000 3/58956 360.0 8.460 8.460 3.164 -0.000 -0.000 0.000 3/58956 370.0 8.212 8.212 3.075 -0.000 -0.000 0.000 3/58956 380.0 7.978 7.978 2.991 -0.000 -0.000 0.000 3/58956 390.0 7.757 7.757 2.911 -0.000 -0.000 0.000 3/58956 400.0 7.548 7.548 2.836 -0.000 -0.000 0.000 3/58956 410.0 7.351 7.351 2.764 -0.000 -0.000 0.000 3/58956 420.0 7.164 7.164 2.696 -0.000 -0.000 0.000 3/58956 430.0 6.986 6.986 2.631 -0.000 -0.000 0.000 3/58956 440.0 6.818 6.818 2.570 -0.000 -0.000 0.000 3/58956 450.0 6.657 6.657 2.511 -0.000 -0.000 0.000 3/58956 460.0 6.504 6.504 2.455 -0.000 -0.000 0.000 3/58956 470.0 6.358 6.358 2.401 -0.000 -0.000 0.000 3/58956 480.0 6.219 6.219 2.350 -0.000 -0.000 0.000 3/58956 490.0 6.085 6.085 2.301 -0.000 -0.000 0.000 3/58956 500.0 5.958 5.958 2.254 -0.000 -0.000 0.000 3/58956 510.0 5.836 5.836 2.209 -0.000 -0.000 0.000 3/58956 520.0 5.718 5.718 2.165 -0.000 -0.000 0.000 3/58956 530.0 5.606 5.606 2.124 -0.000 -0.000 0.000 3/58956 540.0 5.498 5.498 2.084 -0.000 -0.000 0.000 3/58956 550.0 5.394 5.394 2.045 -0.000 -0.000 0.000 3/58956 560.0 5.294 5.294 2.008 -0.000 -0.000 0.000 3/58956 570.0 5.197 5.197 1.972 -0.000 -0.000 0.000 3/58956 580.0 5.104 5.104 1.938 -0.000 -0.000 0.000 3/58956 590.0 5.015 5.015 1.904 -0.000 -0.000 0.000 3/58956 600.0 4.929 4.929 1.872 -0.000 -0.000 0.000 3/58956 610.0 4.845 4.845 1.841 -0.000 -0.000 0.000 3/58956 620.0 4.765 4.765 1.811 -0.000 -0.000 0.000 3/58956 630.0 4.687 4.687 1.782 -0.000 -0.000 0.000 3/58956 640.0 4.611 4.611 1.753 -0.000 -0.000 0.000 3/58956 650.0 4.538 4.538 1.726 -0.000 -0.000 0.000 3/58956 660.0 4.468 4.468 1.700 -0.000 -0.000 0.000 3/58956 670.0 4.399 4.399 1.674 -0.000 -0.000 0.000 3/58956 680.0 4.333 4.333 1.649 -0.000 -0.000 0.000 3/58956 690.0 4.269 4.269 1.625 -0.000 -0.000 0.000 3/58956 700.0 4.206 4.206 1.601 -0.000 -0.000 0.000 3/58956 710.0 4.145 4.145 1.579 -0.000 -0.000 0.000 3/58956 720.0 4.087 4.087 1.556 -0.000 -0.000 0.000 3/58956 730.0 4.029 4.029 1.535 -0.000 -0.000 0.000 3/58956 740.0 3.974 3.974 1.514 -0.000 -0.000 0.000 3/58956 750.0 3.920 3.920 1.494 -0.000 -0.000 0.000 3/58956 760.0 3.867 3.867 1.474 -0.000 -0.000 0.000 3/58956 770.0 3.816 3.816 1.455 -0.000 -0.000 0.000 3/58956 780.0 3.766 3.766 1.436 -0.000 -0.000 0.000 3/58956 790.0 3.717 3.717 1.417 -0.000 -0.000 0.000 3/58956 800.0 3.670 3.670 1.400 -0.000 -0.000 0.000 3/58956 810.0 3.624 3.624 1.382 -0.000 -0.000 0.000 3/58956 820.0 3.579 3.579 1.365 -0.000 -0.000 0.000 3/58956 830.0 3.535 3.535 1.349 -0.000 -0.000 0.000 3/58956 840.0 3.492 3.492 1.332 -0.000 -0.000 0.000 3/58956 850.0 3.451 3.451 1.317 -0.000 -0.000 0.000 3/58956 860.0 3.410 3.410 1.301 -0.000 -0.000 0.000 3/58956 870.0 3.370 3.370 1.286 -0.000 -0.000 0.000 3/58956 880.0 3.331 3.331 1.271 -0.000 -0.000 0.000 3/58956 890.0 3.293 3.293 1.257 -0.000 -0.000 0.000 3/58956 900.0 3.256 3.256 1.243 -0.000 -0.000 0.000 3/58956 910.0 3.220 3.220 1.229 -0.000 -0.000 0.000 3/58956 920.0 3.184 3.184 1.216 -0.000 -0.000 0.000 3/58956 930.0 3.150 3.150 1.203 -0.000 -0.000 0.000 3/58956 940.0 3.116 3.116 1.190 -0.000 -0.000 0.000 3/58956 950.0 3.082 3.082 1.177 -0.000 -0.000 0.000 3/58956 960.0 3.050 3.050 1.165 -0.000 -0.000 0.000 3/58956 970.0 3.018 3.018 1.153 -0.000 -0.000 0.000 3/58956 980.0 2.987 2.987 1.141 -0.000 -0.000 0.000 3/58956 990.0 2.956 2.956 1.129 -0.000 -0.000 0.000 3/58956 1000.0 2.926 2.926 1.118 -0.000 -0.000 0.000 3/58956 Thermal conductivity related properties were written into "kappa-m171717.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:34:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|