----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:27:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 1.912315760771912 1.104076019257226 6.338094173333326 b -1.912315760771909 1.104076019257226 6.338094173333326 c 0.000000000000002 -2.208152038514455 6.338094173333326 Atomic positions (fractional): *1 O 0.10390482420900 0.10390482420900 0.10390482420900 15.999 2 O 0.89609517579100 0.89609517579100 0.89609517579100 15.999 *3 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 *4 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.824631521543822 0.000000000000000 0.000000000000000 b -1.912315760771912 3.312228057771681 0.000000000000000 c 0.000000000000000 0.000000000000000 19.014282519999998 Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.10390482420900 15.999 > 1 2 O 0.66666666666667 0.33333333333333 0.22942850912434 15.999 > 2 3 O 0.66666666666667 0.33333333333333 0.43723815754233 15.999 > 1 4 O 0.33333333333333 0.66666666666667 0.56276184245767 15.999 > 2 5 O 0.33333333333333 0.66666666666667 0.77057149087566 15.999 > 1 6 O 0.00000000000000 0.00000000000000 0.89609517579100 15.999 > 2 *7 Sr 0.33333333333333 0.66666666666667 0.16666666666667 87.620 > 3 8 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 3 9 Sr 0.66666666666667 0.33333333333333 0.83333333333333 87.620 > 3 *10 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 4 11 Hg 0.66666666666667 0.33333333333333 0.33333333333333 200.590 > 4 12 Hg 0.33333333333333 0.66666666666667 0.66666666666667 200.590 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.473894564631467 0.000000000000000 0.000000000000000 b -5.736947282315736 9.936684173315044 0.000000000000000 c 0.000000000000000 0.000000000000000 19.014282519999998 Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.10390482420900 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.10390482420900 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.10390482420900 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.10390482420900 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.10390482420900 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.10390482420900 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.10390482420900 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.10390482420900 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.10390482420900 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.22942850912434 15.999 > 2 11 O 0.55555555555556 0.11111111111111 0.22942850912434 15.999 > 2 12 O 0.88888888888889 0.11111111111111 0.22942850912434 15.999 > 2 13 O 0.22222222222222 0.44444444444444 0.22942850912434 15.999 > 2 14 O 0.55555555555556 0.44444444444444 0.22942850912434 15.999 > 2 15 O 0.88888888888889 0.44444444444444 0.22942850912434 15.999 > 2 16 O 0.22222222222222 0.77777777777778 0.22942850912434 15.999 > 2 17 O 0.55555555555556 0.77777777777778 0.22942850912434 15.999 > 2 18 O 0.88888888888889 0.77777777777778 0.22942850912434 15.999 > 2 19 O 0.22222222222222 0.11111111111111 0.43723815754233 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.43723815754233 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.43723815754233 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.43723815754233 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.43723815754233 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.43723815754233 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.43723815754233 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.43723815754233 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.43723815754233 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.56276184245767 15.999 > 2 29 O 0.44444444444444 0.22222222222222 0.56276184245767 15.999 > 2 30 O 0.77777777777778 0.22222222222222 0.56276184245767 15.999 > 2 31 O 0.11111111111111 0.55555555555556 0.56276184245767 15.999 > 2 32 O 0.44444444444444 0.55555555555556 0.56276184245767 15.999 > 2 33 O 0.77777777777778 0.55555555555556 0.56276184245767 15.999 > 2 34 O 0.11111111111111 0.88888888888889 0.56276184245767 15.999 > 2 35 O 0.44444444444444 0.88888888888889 0.56276184245767 15.999 > 2 36 O 0.77777777777778 0.88888888888889 0.56276184245767 15.999 > 2 37 O 0.11111111111111 0.22222222222222 0.77057149087566 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.77057149087566 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.77057149087566 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.77057149087566 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.77057149087566 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.77057149087566 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.77057149087566 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.77057149087566 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.77057149087566 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.89609517579100 15.999 > 2 47 O 0.33333333333333 0.00000000000000 0.89609517579100 15.999 > 2 48 O 0.66666666666667 0.00000000000000 0.89609517579100 15.999 > 2 49 O 0.00000000000000 0.33333333333333 0.89609517579100 15.999 > 2 50 O 0.33333333333333 0.33333333333333 0.89609517579100 15.999 > 2 51 O 0.66666666666667 0.33333333333333 0.89609517579100 15.999 > 2 52 O 0.00000000000000 0.66666666666667 0.89609517579100 15.999 > 2 53 O 0.33333333333333 0.66666666666667 0.89609517579100 15.999 > 2 54 O 0.66666666666667 0.66666666666667 0.89609517579100 15.999 > 2 *55 Sr 0.11111111111111 0.22222222222222 0.16666666666667 87.620 > 3 56 Sr 0.44444444444444 0.22222222222222 0.16666666666667 87.620 > 3 57 Sr 0.77777777777778 0.22222222222222 0.16666666666667 87.620 > 3 58 Sr 0.11111111111111 0.55555555555556 0.16666666666667 87.620 > 3 59 Sr 0.44444444444444 0.55555555555556 0.16666666666667 87.620 > 3 60 Sr 0.77777777777778 0.55555555555556 0.16666666666667 87.620 > 3 61 Sr 0.11111111111111 0.88888888888889 0.16666666666667 87.620 > 3 62 Sr 0.44444444444444 0.88888888888889 0.16666666666667 87.620 > 3 63 Sr 0.77777777777778 0.88888888888889 0.16666666666667 87.620 > 3 64 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 3 65 Sr 0.33333333333333 0.00000000000000 0.50000000000000 87.620 > 3 66 Sr 0.66666666666667 0.00000000000000 0.50000000000000 87.620 > 3 67 Sr 0.00000000000000 0.33333333333333 0.50000000000000 87.620 > 3 68 Sr 0.33333333333333 0.33333333333333 0.50000000000000 87.620 > 3 69 Sr 0.66666666666667 0.33333333333333 0.50000000000000 87.620 > 3 70 Sr 0.00000000000000 0.66666666666667 0.50000000000000 87.620 > 3 71 Sr 0.33333333333333 0.66666666666667 0.50000000000000 87.620 > 3 72 Sr 0.66666666666667 0.66666666666667 0.50000000000000 87.620 > 3 73 Sr 0.22222222222222 0.11111111111111 0.83333333333333 87.620 > 3 74 Sr 0.55555555555556 0.11111111111111 0.83333333333333 87.620 > 3 75 Sr 0.88888888888889 0.11111111111111 0.83333333333333 87.620 > 3 76 Sr 0.22222222222222 0.44444444444444 0.83333333333333 87.620 > 3 77 Sr 0.55555555555556 0.44444444444444 0.83333333333333 87.620 > 3 78 Sr 0.88888888888889 0.44444444444444 0.83333333333333 87.620 > 3 79 Sr 0.22222222222222 0.77777777777778 0.83333333333333 87.620 > 3 80 Sr 0.55555555555556 0.77777777777778 0.83333333333333 87.620 > 3 81 Sr 0.88888888888889 0.77777777777778 0.83333333333333 87.620 > 3 *82 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 4 83 Hg 0.33333333333333 0.00000000000000 0.00000000000000 200.590 > 4 84 Hg 0.66666666666667 0.00000000000000 0.00000000000000 200.590 > 4 85 Hg 0.00000000000000 0.33333333333333 0.00000000000000 200.590 > 4 86 Hg 0.33333333333333 0.33333333333333 0.00000000000000 200.590 > 4 87 Hg 0.66666666666667 0.33333333333333 0.00000000000000 200.590 > 4 88 Hg 0.00000000000000 0.66666666666667 0.00000000000000 200.590 > 4 89 Hg 0.33333333333333 0.66666666666667 0.00000000000000 200.590 > 4 90 Hg 0.66666666666667 0.66666666666667 0.00000000000000 200.590 > 4 91 Hg 0.22222222222222 0.11111111111111 0.33333333333333 200.590 > 4 92 Hg 0.55555555555556 0.11111111111111 0.33333333333333 200.590 > 4 93 Hg 0.88888888888889 0.11111111111111 0.33333333333333 200.590 > 4 94 Hg 0.22222222222222 0.44444444444444 0.33333333333333 200.590 > 4 95 Hg 0.55555555555556 0.44444444444444 0.33333333333333 200.590 > 4 96 Hg 0.88888888888889 0.44444444444444 0.33333333333333 200.590 > 4 97 Hg 0.22222222222222 0.77777777777778 0.33333333333333 200.590 > 4 98 Hg 0.55555555555556 0.77777777777778 0.33333333333333 200.590 > 4 99 Hg 0.88888888888889 0.77777777777778 0.33333333333333 200.590 > 4 100 Hg 0.11111111111111 0.22222222222222 0.66666666666667 200.590 > 4 101 Hg 0.44444444444444 0.22222222222222 0.66666666666667 200.590 > 4 102 Hg 0.77777777777778 0.22222222222222 0.66666666666667 200.590 > 4 103 Hg 0.11111111111111 0.55555555555556 0.66666666666667 200.590 > 4 104 Hg 0.44444444444444 0.55555555555556 0.66666666666667 200.590 > 4 105 Hg 0.77777777777778 0.55555555555556 0.66666666666667 200.590 > 4 106 Hg 0.11111111111111 0.88888888888889 0.66666666666667 200.590 > 4 107 Hg 0.44444444444444 0.88888888888889 0.66666666666667 200.590 > 4 108 Hg 0.77777777777778 0.88888888888889 0.66666666666667 200.590 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4470095 -0.0000000 0.0000000 0.0000000 3.4470095 0.0000000 0.0000000 0.0000000 4.6552719 -------------------------- Born effective charges -------------------------- 1 O -1.3915277 0.0000000 0.0000000 0.0000000 -1.3915277 0.0000000 0.0000000 0.0000000 -2.7744685 2 O -1.3915277 0.0000000 0.0000000 0.0000000 -1.3915277 0.0000000 0.0000000 0.0000000 -2.7744685 3 Sr 2.5186440 -0.0000000 0.0000000 -0.0000000 2.5186440 0.0000000 0.0000000 0.0000000 2.8113432 4 Hg 0.2644114 0.0000000 0.0000000 0.0000000 0.2644114 0.0000000 0.0000000 0.0000000 2.7375937 ---------------------------------------------------------------------------- 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: 0.158 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.165 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:27:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:27:53]------------------------- 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 1.912315760771912 1.104076019257226 6.338094173333326 b -1.912315760771909 1.104076019257226 6.338094173333326 c 0.000000000000002 -2.208152038514455 6.338094173333326 Atomic positions (fractional): 1 O 0.10390482420900 0.10390482420900 0.10390482420900 15.999 2 O 0.89609517579100 0.89609517579100 0.89609517579100 15.999 3 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 4 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.473894564631467 0.000000000000000 0.000000000000000 b -5.736947282315736 9.936684173315044 0.000000000000000 c 0.000000000000000 0.000000000000000 19.014282519999998 Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.10390482420900 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.10390482420900 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.10390482420900 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.10390482420900 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.10390482420900 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.10390482420900 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.10390482420900 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.10390482420900 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.10390482420900 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.22942850912434 15.999 > 10 11 O 0.55555555555556 0.11111111111111 0.22942850912434 15.999 > 10 12 O 0.88888888888889 0.11111111111111 0.22942850912434 15.999 > 10 13 O 0.22222222222222 0.44444444444444 0.22942850912434 15.999 > 10 14 O 0.55555555555556 0.44444444444444 0.22942850912434 15.999 > 10 15 O 0.88888888888889 0.44444444444444 0.22942850912434 15.999 > 10 16 O 0.22222222222222 0.77777777777778 0.22942850912434 15.999 > 10 17 O 0.55555555555556 0.77777777777778 0.22942850912434 15.999 > 10 18 O 0.88888888888889 0.77777777777778 0.22942850912434 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.43723815754233 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.43723815754233 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.43723815754233 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.43723815754233 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.43723815754233 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.43723815754233 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.43723815754233 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.43723815754233 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.43723815754233 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.56276184245767 15.999 > 10 29 O 0.44444444444444 0.22222222222222 0.56276184245767 15.999 > 10 30 O 0.77777777777778 0.22222222222222 0.56276184245767 15.999 > 10 31 O 0.11111111111111 0.55555555555556 0.56276184245767 15.999 > 10 32 O 0.44444444444444 0.55555555555556 0.56276184245767 15.999 > 10 33 O 0.77777777777778 0.55555555555556 0.56276184245767 15.999 > 10 34 O 0.11111111111111 0.88888888888889 0.56276184245767 15.999 > 10 35 O 0.44444444444444 0.88888888888889 0.56276184245767 15.999 > 10 36 O 0.77777777777778 0.88888888888889 0.56276184245767 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.77057149087566 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.77057149087566 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.77057149087566 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.77057149087566 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.77057149087566 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.77057149087566 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.77057149087566 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.77057149087566 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.77057149087566 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.89609517579100 15.999 > 10 47 O 0.33333333333333 0.00000000000000 0.89609517579100 15.999 > 10 48 O 0.66666666666667 0.00000000000000 0.89609517579100 15.999 > 10 49 O 0.00000000000000 0.33333333333333 0.89609517579100 15.999 > 10 50 O 0.33333333333333 0.33333333333333 0.89609517579100 15.999 > 10 51 O 0.66666666666667 0.33333333333333 0.89609517579100 15.999 > 10 52 O 0.00000000000000 0.66666666666667 0.89609517579100 15.999 > 10 53 O 0.33333333333333 0.66666666666667 0.89609517579100 15.999 > 10 54 O 0.66666666666667 0.66666666666667 0.89609517579100 15.999 > 10 55 Sr 0.11111111111111 0.22222222222222 0.16666666666667 87.620 > 55 56 Sr 0.44444444444444 0.22222222222222 0.16666666666667 87.620 > 55 57 Sr 0.77777777777778 0.22222222222222 0.16666666666667 87.620 > 55 58 Sr 0.11111111111111 0.55555555555556 0.16666666666667 87.620 > 55 59 Sr 0.44444444444444 0.55555555555556 0.16666666666667 87.620 > 55 60 Sr 0.77777777777778 0.55555555555556 0.16666666666667 87.620 > 55 61 Sr 0.11111111111111 0.88888888888889 0.16666666666667 87.620 > 55 62 Sr 0.44444444444444 0.88888888888889 0.16666666666667 87.620 > 55 63 Sr 0.77777777777778 0.88888888888889 0.16666666666667 87.620 > 55 64 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 55 65 Sr 0.33333333333333 0.00000000000000 0.50000000000000 87.620 > 55 66 Sr 0.66666666666667 0.00000000000000 0.50000000000000 87.620 > 55 67 Sr 0.00000000000000 0.33333333333333 0.50000000000000 87.620 > 55 68 Sr 0.33333333333333 0.33333333333333 0.50000000000000 87.620 > 55 69 Sr 0.66666666666667 0.33333333333333 0.50000000000000 87.620 > 55 70 Sr 0.00000000000000 0.66666666666667 0.50000000000000 87.620 > 55 71 Sr 0.33333333333333 0.66666666666667 0.50000000000000 87.620 > 55 72 Sr 0.66666666666667 0.66666666666667 0.50000000000000 87.620 > 55 73 Sr 0.22222222222222 0.11111111111111 0.83333333333333 87.620 > 55 74 Sr 0.55555555555556 0.11111111111111 0.83333333333333 87.620 > 55 75 Sr 0.88888888888889 0.11111111111111 0.83333333333333 87.620 > 55 76 Sr 0.22222222222222 0.44444444444444 0.83333333333333 87.620 > 55 77 Sr 0.55555555555556 0.44444444444444 0.83333333333333 87.620 > 55 78 Sr 0.88888888888889 0.44444444444444 0.83333333333333 87.620 > 55 79 Sr 0.22222222222222 0.77777777777778 0.83333333333333 87.620 > 55 80 Sr 0.55555555555556 0.77777777777778 0.83333333333333 87.620 > 55 81 Sr 0.88888888888889 0.77777777777778 0.83333333333333 87.620 > 55 82 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 82 83 Hg 0.33333333333333 0.00000000000000 0.00000000000000 200.590 > 82 84 Hg 0.66666666666667 0.00000000000000 0.00000000000000 200.590 > 82 85 Hg 0.00000000000000 0.33333333333333 0.00000000000000 200.590 > 82 86 Hg 0.33333333333333 0.33333333333333 0.00000000000000 200.590 > 82 87 Hg 0.66666666666667 0.33333333333333 0.00000000000000 200.590 > 82 88 Hg 0.00000000000000 0.66666666666667 0.00000000000000 200.590 > 82 89 Hg 0.33333333333333 0.66666666666667 0.00000000000000 200.590 > 82 90 Hg 0.66666666666667 0.66666666666667 0.00000000000000 200.590 > 82 91 Hg 0.22222222222222 0.11111111111111 0.33333333333333 200.590 > 82 92 Hg 0.55555555555556 0.11111111111111 0.33333333333333 200.590 > 82 93 Hg 0.88888888888889 0.11111111111111 0.33333333333333 200.590 > 82 94 Hg 0.22222222222222 0.44444444444444 0.33333333333333 200.590 > 82 95 Hg 0.55555555555556 0.44444444444444 0.33333333333333 200.590 > 82 96 Hg 0.88888888888889 0.44444444444444 0.33333333333333 200.590 > 82 97 Hg 0.22222222222222 0.77777777777778 0.33333333333333 200.590 > 82 98 Hg 0.55555555555556 0.77777777777778 0.33333333333333 200.590 > 82 99 Hg 0.88888888888889 0.77777777777778 0.33333333333333 200.590 > 82 100 Hg 0.11111111111111 0.22222222222222 0.66666666666667 200.590 > 82 101 Hg 0.44444444444444 0.22222222222222 0.66666666666667 200.590 > 82 102 Hg 0.77777777777778 0.22222222222222 0.66666666666667 200.590 > 82 103 Hg 0.11111111111111 0.55555555555556 0.66666666666667 200.590 > 82 104 Hg 0.44444444444444 0.55555555555556 0.66666666666667 200.590 > 82 105 Hg 0.77777777777778 0.55555555555556 0.66666666666667 200.590 > 82 106 Hg 0.11111111111111 0.88888888888889 0.66666666666667 200.590 > 82 107 Hg 0.44444444444444 0.88888888888889 0.66666666666667 200.590 > 82 108 Hg 0.77777777777778 0.88888888888889 0.66666666666667 200.590 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4470095 -0.0000000 0.0000000 0.0000000 3.4470095 0.0000000 0.0000000 0.0000000 4.6552719 -------------------------- Born effective charges -------------------------- 1 O -1.3915277 0.0000000 0.0000000 0.0000000 -1.3915277 0.0000000 0.0000000 0.0000000 -2.7744685 2 O -1.3915277 0.0000000 0.0000000 0.0000000 -1.3915277 0.0000000 0.0000000 0.0000000 -2.7744685 3 Sr 2.5186440 -0.0000000 0.0000000 -0.0000000 2.5186440 0.0000000 0.0000000 0.0000000 2.8113432 4 Hg 0.2644114 0.0000000 0.0000000 0.0000000 0.2644114 0.0000000 0.0000000 0.0000000 2.7375937 ---------------------------------------------------------------------------- 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[ 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] Computing fc3[ 82, 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 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) 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 07:27:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:27:58]------------------------- 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 1.912315760771912 1.104076019257226 6.338094173333326 b -1.912315760771909 1.104076019257226 6.338094173333326 c 0.000000000000002 -2.208152038514455 6.338094173333326 Atomic positions (fractional): 1 O 0.10390482420900 0.10390482420900 0.10390482420900 15.999 2 O 0.89609517579100 0.89609517579100 0.89609517579100 15.999 3 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 4 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.473894564631467 0.000000000000000 0.000000000000000 b -5.736947282315736 9.936684173315044 0.000000000000000 c 0.000000000000000 0.000000000000000 19.014282519999998 Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.10390482420900 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.10390482420900 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.10390482420900 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.10390482420900 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.10390482420900 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.10390482420900 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.10390482420900 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.10390482420900 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.10390482420900 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.22942850912434 15.999 > 10 11 O 0.55555555555556 0.11111111111111 0.22942850912434 15.999 > 10 12 O 0.88888888888889 0.11111111111111 0.22942850912434 15.999 > 10 13 O 0.22222222222222 0.44444444444444 0.22942850912434 15.999 > 10 14 O 0.55555555555556 0.44444444444444 0.22942850912434 15.999 > 10 15 O 0.88888888888889 0.44444444444444 0.22942850912434 15.999 > 10 16 O 0.22222222222222 0.77777777777778 0.22942850912434 15.999 > 10 17 O 0.55555555555556 0.77777777777778 0.22942850912434 15.999 > 10 18 O 0.88888888888889 0.77777777777778 0.22942850912434 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.43723815754233 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.43723815754233 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.43723815754233 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.43723815754233 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.43723815754233 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.43723815754233 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.43723815754233 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.43723815754233 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.43723815754233 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.56276184245767 15.999 > 10 29 O 0.44444444444444 0.22222222222222 0.56276184245767 15.999 > 10 30 O 0.77777777777778 0.22222222222222 0.56276184245767 15.999 > 10 31 O 0.11111111111111 0.55555555555556 0.56276184245767 15.999 > 10 32 O 0.44444444444444 0.55555555555556 0.56276184245767 15.999 > 10 33 O 0.77777777777778 0.55555555555556 0.56276184245767 15.999 > 10 34 O 0.11111111111111 0.88888888888889 0.56276184245767 15.999 > 10 35 O 0.44444444444444 0.88888888888889 0.56276184245767 15.999 > 10 36 O 0.77777777777778 0.88888888888889 0.56276184245767 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.77057149087566 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.77057149087566 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.77057149087566 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.77057149087566 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.77057149087566 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.77057149087566 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.77057149087566 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.77057149087566 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.77057149087566 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.89609517579100 15.999 > 10 47 O 0.33333333333333 0.00000000000000 0.89609517579100 15.999 > 10 48 O 0.66666666666667 0.00000000000000 0.89609517579100 15.999 > 10 49 O 0.00000000000000 0.33333333333333 0.89609517579100 15.999 > 10 50 O 0.33333333333333 0.33333333333333 0.89609517579100 15.999 > 10 51 O 0.66666666666667 0.33333333333333 0.89609517579100 15.999 > 10 52 O 0.00000000000000 0.66666666666667 0.89609517579100 15.999 > 10 53 O 0.33333333333333 0.66666666666667 0.89609517579100 15.999 > 10 54 O 0.66666666666667 0.66666666666667 0.89609517579100 15.999 > 10 55 Sr 0.11111111111111 0.22222222222222 0.16666666666667 87.620 > 55 56 Sr 0.44444444444444 0.22222222222222 0.16666666666667 87.620 > 55 57 Sr 0.77777777777778 0.22222222222222 0.16666666666667 87.620 > 55 58 Sr 0.11111111111111 0.55555555555556 0.16666666666667 87.620 > 55 59 Sr 0.44444444444444 0.55555555555556 0.16666666666667 87.620 > 55 60 Sr 0.77777777777778 0.55555555555556 0.16666666666667 87.620 > 55 61 Sr 0.11111111111111 0.88888888888889 0.16666666666667 87.620 > 55 62 Sr 0.44444444444444 0.88888888888889 0.16666666666667 87.620 > 55 63 Sr 0.77777777777778 0.88888888888889 0.16666666666667 87.620 > 55 64 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 55 65 Sr 0.33333333333333 0.00000000000000 0.50000000000000 87.620 > 55 66 Sr 0.66666666666667 0.00000000000000 0.50000000000000 87.620 > 55 67 Sr 0.00000000000000 0.33333333333333 0.50000000000000 87.620 > 55 68 Sr 0.33333333333333 0.33333333333333 0.50000000000000 87.620 > 55 69 Sr 0.66666666666667 0.33333333333333 0.50000000000000 87.620 > 55 70 Sr 0.00000000000000 0.66666666666667 0.50000000000000 87.620 > 55 71 Sr 0.33333333333333 0.66666666666667 0.50000000000000 87.620 > 55 72 Sr 0.66666666666667 0.66666666666667 0.50000000000000 87.620 > 55 73 Sr 0.22222222222222 0.11111111111111 0.83333333333333 87.620 > 55 74 Sr 0.55555555555556 0.11111111111111 0.83333333333333 87.620 > 55 75 Sr 0.88888888888889 0.11111111111111 0.83333333333333 87.620 > 55 76 Sr 0.22222222222222 0.44444444444444 0.83333333333333 87.620 > 55 77 Sr 0.55555555555556 0.44444444444444 0.83333333333333 87.620 > 55 78 Sr 0.88888888888889 0.44444444444444 0.83333333333333 87.620 > 55 79 Sr 0.22222222222222 0.77777777777778 0.83333333333333 87.620 > 55 80 Sr 0.55555555555556 0.77777777777778 0.83333333333333 87.620 > 55 81 Sr 0.88888888888889 0.77777777777778 0.83333333333333 87.620 > 55 82 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 82 83 Hg 0.33333333333333 0.00000000000000 0.00000000000000 200.590 > 82 84 Hg 0.66666666666667 0.00000000000000 0.00000000000000 200.590 > 82 85 Hg 0.00000000000000 0.33333333333333 0.00000000000000 200.590 > 82 86 Hg 0.33333333333333 0.33333333333333 0.00000000000000 200.590 > 82 87 Hg 0.66666666666667 0.33333333333333 0.00000000000000 200.590 > 82 88 Hg 0.00000000000000 0.66666666666667 0.00000000000000 200.590 > 82 89 Hg 0.33333333333333 0.66666666666667 0.00000000000000 200.590 > 82 90 Hg 0.66666666666667 0.66666666666667 0.00000000000000 200.590 > 82 91 Hg 0.22222222222222 0.11111111111111 0.33333333333333 200.590 > 82 92 Hg 0.55555555555556 0.11111111111111 0.33333333333333 200.590 > 82 93 Hg 0.88888888888889 0.11111111111111 0.33333333333333 200.590 > 82 94 Hg 0.22222222222222 0.44444444444444 0.33333333333333 200.590 > 82 95 Hg 0.55555555555556 0.44444444444444 0.33333333333333 200.590 > 82 96 Hg 0.88888888888889 0.44444444444444 0.33333333333333 200.590 > 82 97 Hg 0.22222222222222 0.77777777777778 0.33333333333333 200.590 > 82 98 Hg 0.55555555555556 0.77777777777778 0.33333333333333 200.590 > 82 99 Hg 0.88888888888889 0.77777777777778 0.33333333333333 200.590 > 82 100 Hg 0.11111111111111 0.22222222222222 0.66666666666667 200.590 > 82 101 Hg 0.44444444444444 0.22222222222222 0.66666666666667 200.590 > 82 102 Hg 0.77777777777778 0.22222222222222 0.66666666666667 200.590 > 82 103 Hg 0.11111111111111 0.55555555555556 0.66666666666667 200.590 > 82 104 Hg 0.44444444444444 0.55555555555556 0.66666666666667 200.590 > 82 105 Hg 0.77777777777778 0.55555555555556 0.66666666666667 200.590 > 82 106 Hg 0.11111111111111 0.88888888888889 0.66666666666667 200.590 > 82 107 Hg 0.44444444444444 0.88888888888889 0.66666666666667 200.590 > 82 108 Hg 0.77777777777778 0.88888888888889 0.66666666666667 200.590 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4470095 -0.0000000 0.0000000 0.0000000 3.4470095 0.0000000 0.0000000 0.0000000 4.6552719 -------------------------- Born effective charges -------------------------- 1 O -1.3915277 0.0000000 0.0000000 0.0000000 -1.3915277 0.0000000 0.0000000 0.0000000 -2.7744685 2 O -1.3915277 0.0000000 0.0000000 0.0000000 -1.3915277 0.0000000 0.0000000 0.0000000 -2.7744685 3 Sr 2.5186440 -0.0000000 0.0000000 -0.0000000 2.5186440 0.0000000 0.0000000 0.0000000 2.8113432 4 Hg 0.2644114 0.0000000 0.0000000 0.0000000 0.2644114 0.0000000 0.0000000 0.0000000 2.7375937 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 15 15 15 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.96, Number of G-points: 325, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/344) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.756 ( 0.000 0.000 0.000) 0.000 2.756 ( 0.000 0.000 0.000) 0.000 5.102 ( 0.000 0.000 0.000) 0.000 6.958 ( 0.000 0.000 0.000) 0.000 6.958 ( 0.000 0.000 0.000) 0.000 8.012 ( 0.000 0.000 0.000) 0.000 8.012 ( 0.000 0.000 0.000) 0.000 18.355 ( 0.000 0.000 0.000) 0.000 19.486 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/344) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.249 ( 7.167 4.138 29.092) 30.246 0.331 ( 13.758 7.943 3.015) 16.170 0.656 ( 25.447 14.692 3.941) 29.647 2.751 ( 0.457 0.264 -5.525) 5.550 2.974 ( 9.589 5.536 -2.133) 11.276 5.073 ( -6.298 -3.636 12.223) 14.223 6.969 ( 0.751 0.433 0.901) 1.250 6.992 ( 2.864 1.654 0.059) 3.308 8.023 ( 0.916 0.529 0.339) 1.110 10.546 ( 10.170 5.872 -66.832) 67.856 18.509 ( -10.352 -5.976 71.692) 72.681 19.463 ( -3.184 -1.838 8.277) 9.057 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 10.399 6.004 25.769) 28.429 0.659 ( 13.207 7.625 4.794) 15.986 1.169 ( 16.960 9.792 4.376) 20.067 2.742 ( 1.253 0.723 -10.388) 10.488 3.312 ( 19.908 11.494 -0.548) 22.994 4.921 ( -9.250 -5.341 4.829) 11.722 6.994 ( 0.992 0.573 1.133) 1.611 7.085 ( 4.843 2.796 0.375) 5.605 8.059 ( 2.023 1.168 1.052) 2.562 10.548 ( 5.047 2.914 -33.026) 33.536 18.527 ( -2.588 -1.494 24.257) 24.440 19.398 ( -5.802 -3.350 14.693) 16.148 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 13.337 7.700 21.114) 26.134 0.972 ( 11.753 6.785 7.059) 15.297 1.478 ( 8.686 5.015 5.978) 11.676 2.741 ( 2.453 1.416 -14.020) 14.303 3.870 ( 27.300 15.762 -0.411) 31.526 4.682 ( -12.092 -6.981 1.110) 14.007 7.017 ( 0.579 0.334 0.638) 0.924 7.211 ( 5.653 3.264 1.076) 6.616 8.125 ( 3.254 1.879 2.066) 4.288 10.547 ( 3.008 1.737 -21.133) 21.416 18.559 ( 0.540 0.312 6.828) 6.856 19.303 ( -7.224 -4.171 18.306) 20.117 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 9.218 5.322 8.778) 13.796 1.302 ( 14.882 8.592 12.845) 21.455 1.649 ( 4.226 2.440 11.220) 12.235 2.760 ( 3.713 2.144 -15.727) 16.301 4.363 ( -12.938 -7.469 -0.687) 14.955 4.538 ( 27.149 15.675 -2.195) 31.426 7.023 ( -0.149 -0.086 -0.044) 0.178 7.348 ( 5.524 3.189 2.038) 6.696 8.222 ( 4.165 2.405 2.840) 5.585 10.538 ( 1.511 0.872 -14.464) 14.568 18.594 ( 1.459 0.842 -0.881) 1.901 19.202 ( -6.800 -3.926 18.821) 20.393 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 6.092 3.517 8.746) 11.223 1.618 ( 8.561 4.943 -5.819) 11.471 1.836 ( 9.011 5.202 26.649) 28.608 2.801 ( 4.293 2.479 -14.616) 15.434 4.006 ( -15.650 -9.035 -4.528) 18.629 5.153 ( 24.428 14.103 -1.817) 28.265 7.012 ( -0.674 -0.389 -0.412) 0.880 7.477 ( 4.781 2.760 2.806) 6.193 8.331 ( 4.205 2.428 2.881) 5.646 10.516 ( 0.263 0.152 -9.725) 9.730 18.612 ( 0.502 0.290 -2.940) 2.996 19.130 ( -4.399 -2.540 15.712) 16.513 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 3.222 1.860 6.399) 7.402 1.706 ( 2.289 1.322 -3.435) 4.334 2.208 ( 13.805 7.970 20.510) 25.976 2.850 ( 3.491 2.015 -10.336) 11.094 3.619 ( -15.546 -8.976 -7.250) 19.360 5.626 ( 16.276 9.397 -1.690) 18.870 6.993 ( -0.705 -0.407 -0.392) 0.903 7.584 ( 3.469 2.003 2.659) 4.808 8.428 ( 3.133 1.809 2.111) 4.189 10.485 ( -0.437 -0.252 -5.741) 5.763 18.599 ( -0.671 -0.387 -1.755) 1.918 19.106 ( -1.682 -0.971 9.637) 9.830 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 0.976 0.563 2.328) 2.586 1.730 ( 0.587 0.339 -0.913) 1.137 2.563 ( 10.006 5.777 10.870) 15.863 2.883 ( 1.342 0.775 -3.718) 4.028 3.268 ( -10.517 -6.072 -6.676) 13.858 5.880 ( 5.678 3.278 -0.719) 6.595 6.980 ( -0.292 -0.169 -0.151) 0.370 7.649 ( 1.328 0.767 1.128) 1.904 8.484 ( 1.159 0.669 0.771) 1.544 10.462 ( -0.297 -0.171 -1.921) 1.951 18.580 ( -0.463 -0.268 -0.434) 0.689 19.108 ( -0.320 -0.185 3.122) 3.144 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.315 ( -0.000 15.514 0.113) 15.515 0.329 ( 0.000 5.469 30.416) 30.904 0.717 ( 0.000 28.371 17.055) 33.102 2.775 ( -0.000 2.300 -0.952) 2.489 2.915 ( -0.000 10.579 -12.213) 16.158 5.141 ( 0.000 -12.061 21.466) 24.623 6.948 ( -0.000 0.186 -2.851) 2.857 7.020 ( 0.000 4.380 5.016) 6.659 8.034 ( 0.000 1.219 2.366) 2.661 10.228 ( -0.000 34.356 -102.616) 108.214 18.817 ( 0.000 -37.121 93.177) 100.299 19.518 ( 0.000 -6.703 26.271) 27.112 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 6.193 5.672 24.046) 25.470 0.600 ( 10.620 12.490 6.086) 17.488 1.121 ( 8.060 20.394 15.708) 26.975 2.757 ( -2.934 5.202 -7.568) 9.641 3.134 ( 13.268 14.209 -7.439) 20.816 5.017 ( -6.728 -9.696 10.310) 15.671 6.963 ( 2.265 0.121 -2.609) 3.457 7.099 ( 0.537 6.331 6.372) 8.998 8.060 ( 0.512 1.983 2.335) 3.106 10.315 ( 9.443 13.209 -57.414) 59.666 18.683 ( -7.310 -12.517 37.425) 40.134 19.504 ( -3.811 -7.209 26.595) 27.817 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 10.226 4.725 20.625) 23.501 0.940 ( 10.857 12.518 6.078) 17.650 1.460 ( 5.906 11.354 15.087) 19.785 2.744 ( -2.148 8.127 -12.363) 14.950 3.592 ( 22.305 17.976 -4.421) 28.986 4.797 ( -9.858 -10.085 3.890) 14.629 7.001 ( 2.369 0.660 -2.072) 3.216 7.206 ( 1.394 6.731 6.992) 9.805 8.113 ( 1.926 2.753 2.431) 4.147 10.386 ( 7.101 4.890 -35.166) 36.207 18.605 ( -2.914 -3.165 12.487) 13.207 19.434 ( -5.767 -7.707 25.151) 26.930 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 12.067 3.921 14.767) 19.469 1.258 ( 9.686 10.666 4.618) 15.130 1.678 ( 3.131 6.589 17.760) 19.200 2.764 ( -1.563 11.809 -14.483) 18.753 4.202 ( 27.037 18.094 -2.937) 32.665 4.503 ( -12.230 -10.933 -0.685) 16.419 7.036 ( 0.778 2.011 -1.850) 2.842 7.327 ( 2.356 5.451 7.551) 9.606 8.199 ( 3.187 3.496 2.701) 5.447 10.420 ( 5.182 1.298 -23.573) 24.171 18.591 ( -0.233 0.015 2.093) 2.106 19.332 ( -6.332 -7.632 22.623) 24.701 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 9.589 2.487 10.124) 14.165 1.509 ( 8.181 6.347 -2.302) 10.607 1.868 ( 4.604 5.870 23.212) 24.381 2.826 ( -1.617 15.634 -13.348) 20.621 4.149 ( -14.167 -11.294 -3.896) 18.533 4.838 ( 26.667 15.005 -2.968) 30.742 7.054 ( -1.318 3.674 -1.619) 4.226 7.446 ( 3.045 3.248 7.897) 9.066 8.307 ( 3.626 4.044 2.584) 6.015 10.430 ( 3.731 -0.896 -16.093) 16.544 18.599 ( 0.390 0.515 -1.575) 1.702 19.230 ( -5.173 -6.425 18.378) 20.145 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 5.212 0.684 6.751) 8.556 1.647 ( 4.533 2.427 -4.772) 7.015 2.139 ( 10.192 5.907 20.615) 23.744 2.921 ( -2.819 18.187 -8.732) 20.370 3.762 ( -15.018 -10.740 -6.889) 19.707 5.381 ( 21.529 9.897 -2.669) 23.845 7.056 ( -2.957 5.217 -1.153) 6.107 7.549 ( 3.156 0.760 7.487) 8.160 8.415 ( 2.824 4.154 1.821) 5.343 10.423 ( 2.755 -2.309 -10.445) 11.047 18.596 ( -0.225 -0.320 -1.650) 1.696 19.159 ( -2.896 -4.385 12.298) 13.374 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 2.264 -0.870 2.394) 3.408 1.704 ( 2.084 0.817 -2.727) 3.528 2.448 ( 11.582 3.581 11.897) 16.985 3.024 ( -4.825 18.866 -1.769) 19.553 3.381 ( -13.612 -8.405 -8.036) 17.903 5.745 ( 12.912 3.617 -1.945) 13.549 7.051 ( -3.798 6.408 -0.522) 7.468 7.617 ( 2.379 -1.680 5.859) 6.543 8.493 ( 0.863 3.630 0.515) 3.766 10.413 ( 2.552 -2.897 -5.714) 6.896 18.579 ( -0.370 -0.919 -0.577) 1.147 19.122 ( -1.155 -2.738 5.597) 6.337 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 0.213 -1.930 -2.031) 2.810 1.726 ( 0.704 0.092 -0.872) 1.124 2.578 ( -1.938 -5.073 -3.688) 6.565 3.090 ( -10.507 15.241 -1.232) 18.553 3.197 ( 4.294 3.143 5.661) 7.769 5.878 ( 2.278 -3.018 -0.768) 3.859 7.051 ( -3.920 7.062 0.093) 8.077 7.633 ( 0.624 -3.633 3.367) 4.993 8.516 ( -1.665 2.449 -1.008) 3.128 10.419 ( 3.062 -2.732 -1.602) 4.405 18.570 ( 0.534 -0.580 0.277) 0.836 19.094 ( -0.510 -2.033 -0.539) 2.164 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -1.835 -2.872 -5.518) 6.486 1.726 ( -0.458 -0.475 0.671) 0.942 2.305 ( -13.514 -8.368 -14.255) 21.351 3.066 ( -9.857 12.688 6.124) 17.195 3.466 ( 13.480 7.817 7.773) 17.414 5.757 ( -8.852 -9.157 0.147) 12.737 7.057 ( -3.614 6.963 0.527) 7.862 7.592 ( -1.428 -4.498 1.253) 4.882 8.478 ( -3.911 0.945 -2.296) 4.633 10.453 ( 3.518 -2.274 1.836) 4.574 18.590 ( 1.453 0.172 1.522) 2.112 19.058 ( 0.083 -1.702 -6.395) 6.618 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -4.488 -4.544 -8.070) 10.291 1.701 ( -2.498 -1.729 4.145) 5.139 1.917 ( -15.115 -5.130 -19.762) 25.403 3.027 ( -11.185 10.200 10.964) 18.691 3.825 ( 15.845 7.081 4.963) 18.051 5.397 ( -18.802 -13.690 0.244) 23.259 7.066 ( -3.206 5.941 0.633) 6.781 7.509 ( -3.139 -4.257 0.353) 5.301 8.390 ( -5.229 -0.284 -2.930) 6.000 10.504 ( 3.227 -1.925 4.645) 5.974 18.625 ( 0.684 0.406 3.868) 3.949 19.028 ( 2.259 -0.884 -12.337) 12.573 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -8.235 -8.126 -10.676) 15.743 1.512 ( -16.287 -2.704 -6.213) 17.641 1.676 ( -3.598 0.232 -8.084) 8.851 2.965 ( -10.662 7.425 12.717) 18.181 4.181 ( 15.664 5.935 2.234) 16.899 4.853 ( -25.767 -15.487 -0.229) 30.064 7.066 ( -2.892 4.063 0.332) 4.998 7.404 ( -4.559 -3.426 0.332) 5.713 8.279 ( -5.401 -0.805 -2.684) 6.085 10.555 ( 2.275 -1.657 7.086) 7.625 18.630 ( -2.086 -0.353 4.209) 4.711 19.050 ( 6.141 0.720 -15.204) 16.413 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -12.040 -9.127 -13.791) 20.456 1.196 ( -16.393 0.717 -6.883) 17.793 1.572 ( -6.575 -1.371 -2.305) 7.101 2.901 ( -8.521 4.870 11.326) 14.987 4.209 ( -28.068 -13.208 -1.655) 31.065 4.510 ( 13.667 3.851 0.842) 14.224 7.047 ( -2.631 1.832 -0.202) 3.212 7.286 ( -5.666 -2.331 0.432) 6.142 8.175 ( -4.623 -0.644 -1.699) 4.967 10.598 ( 1.184 -1.273 9.179) 9.342 18.578 ( -3.599 -0.848 -0.314) 3.711 19.143 ( 8.166 1.630 -12.235) 14.800 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -12.880 -5.705 -12.466) 18.810 0.890 ( -17.130 0.020 -3.551) 17.494 1.380 ( -13.343 -2.398 -0.781) 13.579 2.847 ( -5.669 2.451 6.976) 9.317 3.608 ( -25.979 -8.092 -1.413) 27.247 4.769 ( 11.751 2.394 -0.802) 12.019 7.013 ( -2.176 0.200 -0.452) 2.231 7.167 ( -6.068 -1.126 0.263) 6.177 8.097 ( -3.380 -0.242 -0.577) 3.437 10.636 ( 0.504 -0.670 9.618) 9.655 18.495 ( -3.624 -0.651 -5.473) 6.596 19.266 ( 7.706 1.258 -6.611) 10.231 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.334 ( -11.766 -0.000 0.000) 11.766 0.580 ( -17.298 -0.000 0.000) 17.298 1.044 ( -23.042 -0.000 0.000) 23.042 2.797 ( -2.920 -0.000 0.000) 2.920 3.176 ( -17.944 -0.000 0.000) 17.944 4.955 ( 8.265 0.000 -0.000) 8.265 6.980 ( -1.387 -0.000 0.000) 1.387 7.061 ( -5.278 -0.000 0.000) 5.278 8.047 ( -2.120 -0.000 0.000) 2.120 10.664 ( 0.445 0.000 -0.000) 0.445 18.414 ( -3.267 -0.000 0.000) 3.267 19.380 ( 5.800 0.000 -0.000) 5.800 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 0.000 14.205 1.292) 14.264 0.638 ( 0.000 5.200 26.151) 26.663 1.341 ( 0.000 19.400 20.473) 28.205 2.837 ( -0.000 4.803 -1.805) 5.131 3.145 ( -0.000 22.742 -14.917) 27.197 5.000 ( 0.000 -12.798 9.533) 15.958 6.933 ( -0.000 0.878 -3.916) 4.013 7.202 ( 0.000 8.179 10.489) 13.301 8.084 ( 0.000 1.687 3.082) 3.514 10.183 ( -0.000 16.206 -55.451) 57.771 18.717 ( 0.000 -13.476 25.258) 28.628 19.551 ( 0.000 -10.978 32.158) 33.980 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 4.555 5.417 20.734) 21.908 0.876 ( 10.253 11.226 3.447) 15.589 1.592 ( 1.430 12.508 19.972) 23.608 2.857 ( -2.741 9.297 -6.089) 11.447 3.468 ( 12.377 25.698 -10.409) 30.364 4.838 ( -6.003 -13.327 5.174) 15.506 6.952 ( 2.306 1.179 -3.522) 4.372 7.325 ( -0.813 9.353 12.430) 15.577 8.122 ( 1.130 2.164 2.671) 3.619 10.200 ( 5.536 9.436 -42.574) 43.957 18.651 ( -2.335 -6.222 11.533) 13.311 19.514 ( -3.260 -11.708 29.364) 31.780 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 8.151 3.783 16.915) 19.154 1.182 ( 11.074 9.024 1.371) 14.351 1.781 ( 1.336 7.285 19.074) 20.462 2.910 ( -2.245 15.651 -9.167) 18.276 3.975 ( 19.481 23.569 -6.200) 31.200 4.574 ( -9.701 -13.407 0.921) 16.575 7.005 ( 3.209 1.784 -3.222) 4.885 7.442 ( -1.884 9.277 13.440) 16.439 8.191 ( 2.770 3.060 2.377) 4.763 10.242 ( 6.242 3.717 -31.303) 32.135 18.608 ( -1.161 -1.384 3.223) 3.695 19.419 ( -4.821 -11.466 24.968) 27.894 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 9.630 2.055 10.497) 14.393 1.428 ( 8.104 5.717 0.003) 9.917 1.936 ( 2.520 4.857 18.511) 19.303 3.029 ( -2.343 21.806 -8.682) 23.587 4.239 ( -11.333 -13.276 -4.045) 17.918 4.551 ( 22.210 18.442 -3.042) 29.028 7.071 ( 2.611 3.189 -3.371) 5.324 7.537 ( -2.697 7.711 14.054) 16.256 8.294 ( 3.853 4.042 2.198) 6.001 10.269 ( 5.685 -0.234 -22.624) 23.329 18.599 ( -0.219 0.360 -0.599) 0.732 19.302 ( -4.748 -10.223 19.930) 22.897 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 7.897 -0.189 4.338) 9.012 1.582 ( 4.956 2.976 -0.940) 5.857 2.114 ( 6.032 4.108 16.337) 17.893 3.192 ( -3.834 24.944 -5.112) 25.749 3.875 ( -13.308 -11.290 -6.753) 18.713 5.087 ( 22.064 11.525 -2.880) 25.058 7.133 ( 0.874 5.477 -3.684) 6.659 7.600 ( -2.907 4.725 14.183) 15.229 8.413 ( 3.636 4.823 1.660) 6.264 10.278 ( 5.059 -3.058 -15.713) 16.789 18.593 ( -0.363 -0.052 -1.403) 1.450 19.199 ( -3.262 -7.880 13.980) 16.376 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 4.593 -1.969 -0.000) 4.997 1.666 ( 2.768 1.396 -0.922) 3.234 2.339 ( 9.292 3.239 11.123) 14.851 3.322 ( -6.458 14.431 0.510) 15.818 3.539 ( -13.335 2.658 -9.149) 16.389 5.505 ( 17.371 4.009 -2.586) 18.014 7.184 ( -1.438 8.285 -3.811) 9.232 7.628 ( -2.601 0.802 13.323) 13.599 8.517 ( 1.873 4.984 0.558) 5.353 10.279 ( 4.940 -4.779 -9.969) 12.109 18.574 ( -0.630 -1.057 -0.658) 1.395 19.129 ( -1.581 -5.364 7.505) 9.359 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 1.929 -2.903 -2.863) 4.511 1.708 ( 1.378 0.580 -0.587) 1.606 2.521 ( 4.369 -1.031 1.665) 4.788 3.180 ( -4.586 -5.279 -0.797) 7.038 3.524 ( -11.291 27.059 0.082) 29.320 5.737 ( 9.380 -3.194 -2.034) 10.116 7.222 ( -3.783 10.767 -3.532) 11.946 7.618 ( -2.170 -3.047 11.208) 11.816 8.572 ( -0.983 4.168 -0.925) 4.381 10.292 ( 5.511 -5.205 -5.152) 9.166 18.555 ( 0.139 -1.165 0.183) 1.187 19.079 ( -0.913 -3.829 1.682) 4.281 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -0.303 -3.512 -5.035) 6.146 1.725 ( 0.367 0.100 -0.140) 0.406 2.400 ( -10.174 -6.674 -8.325) 14.743 3.225 ( 7.579 3.466 3.469) 9.027 3.590 ( -10.910 22.961 5.302) 25.968 5.746 ( -0.645 -9.225 -1.423) 9.357 7.243 ( -5.685 11.799 -2.769) 13.387 7.573 ( -1.853 -5.497 8.285) 10.114 8.558 ( -3.850 2.558 -2.215) 5.125 10.333 ( 6.209 -4.548 -1.411) 7.825 18.565 ( 1.686 -0.299 1.086) 2.027 19.025 ( -1.018 -3.227 -3.207) 4.662 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -3.048 -4.350 -6.737) 8.579 1.722 ( -0.622 -0.333 0.665) 0.970 2.080 ( -14.532 -4.866 -10.192) 18.404 3.373 ( -4.375 11.119 4.717) 12.846 3.702 ( 3.717 11.735 5.924) 13.660 5.524 ( -11.106 -12.969 -1.196) 17.116 7.239 ( -6.726 10.435 -1.621) 12.520 7.507 ( -1.838 -5.679 5.275) 7.966 8.481 ( -5.715 0.961 -2.699) 6.393 10.403 ( 6.220 -3.414 1.104) 7.181 18.615 ( 2.695 0.851 3.230) 4.292 18.958 ( -0.661 -2.932 -7.933) 8.483 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -7.207 -5.343 -7.667) 11.801 1.697 ( -2.947 -1.986 5.498) 6.546 1.756 ( -14.100 0.171 -13.054) 19.216 3.331 ( -14.164 11.386 7.081) 19.504 3.973 ( 14.108 4.982 2.652) 15.195 5.109 ( -20.146 -13.108 -1.291) 24.070 7.205 ( -6.642 6.735 -0.515) 9.473 7.434 ( -2.605 -3.921 2.644) 5.399 8.370 ( -6.268 0.075 -2.199) 6.643 10.483 ( 5.367 -2.197 2.502) 6.316 18.677 ( -0.022 1.139 6.859) 6.953 18.909 ( 3.159 -2.012 -12.442) 12.993 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -11.744 -4.271 -6.217) 13.958 1.463 ( -15.295 0.169 -2.815) 15.553 1.651 ( -3.880 -0.041 -1.299) 4.091 3.191 ( -13.969 5.926 5.506) 16.142 4.277 ( 15.171 2.605 0.611) 15.405 4.581 ( -26.140 -8.829 -1.009) 27.609 7.143 ( -5.609 2.546 -0.035) 6.160 7.354 ( -4.081 -1.677 0.844) 4.492 8.258 ( -5.748 -0.092 -1.072) 5.848 10.559 ( 4.032 -1.009 2.612) 4.909 18.653 ( -4.672 -0.096 2.805) 5.450 18.971 ( 8.401 -0.043 -7.241) 11.091 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -13.905 -0.000 0.000) 13.905 1.183 ( -16.565 -0.000 0.000) 16.565 1.550 ( -7.632 -0.000 0.000) 7.632 3.016 ( -10.323 -0.000 0.000) 10.323 4.045 ( -28.656 -0.000 0.000) 28.656 4.552 ( 14.223 0.000 -0.000) 14.223 7.069 ( -4.021 -0.000 0.000) 4.021 7.264 ( -5.487 -0.000 0.000) 5.487 8.165 ( -4.640 -0.000 0.000) 4.640 10.617 ( 2.569 0.000 -0.000) 2.569 18.566 ( -5.139 -0.000 0.000) 5.139 19.114 ( 8.873 0.000 -0.000) 8.873 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 0.000 3.621 19.764) 20.093 0.894 ( 0.000 11.489 2.154) 11.689 1.758 ( 0.000 8.557 18.876) 20.725 2.943 ( -0.000 7.189 -2.377) 7.571 3.632 ( -0.000 34.036 -11.966) 36.079 4.762 ( 0.000 -15.211 3.773) 15.672 6.934 ( -0.000 1.794 -3.278) 3.737 7.485 ( 0.000 10.484 15.834) 18.990 8.137 ( 0.000 1.550 2.314) 2.786 10.103 ( -0.000 9.600 -40.935) 42.045 18.644 ( 0.000 -4.752 6.785) 8.283 19.513 ( 0.000 -14.008 28.404) 31.670 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 3.795 2.449 15.913) 16.542 1.095 ( 8.663 8.790 1.566) 12.440 1.892 ( 0.461 5.157 16.575) 17.364 3.030 ( 1.651 10.783 -3.755) 11.537 4.001 ( 6.709 31.524 -8.531) 33.340 4.570 ( -5.324 -14.251 1.223) 15.262 6.964 ( 2.192 2.128 -2.697) 4.075 7.637 ( -1.866 10.813 17.513) 20.667 8.179 ( 2.145 1.865 1.801) 3.365 10.086 ( 3.551 6.203 -34.752) 35.479 18.620 ( -0.703 -1.564 2.380) 2.934 19.439 ( -2.416 -14.344 24.592) 28.572 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 6.800 0.839 10.173) 12.265 1.336 ( 9.094 5.602 1.202) 10.748 2.002 ( 1.324 3.349 14.398) 14.841 3.203 ( 3.735 16.724 -4.375) 17.685 4.225 ( -4.121 -10.831 -5.745) 12.934 4.496 ( 6.486 22.006 -1.804) 23.013 7.029 ( 3.501 2.517 -2.517) 4.992 7.755 ( -4.170 10.556 17.931) 21.221 8.264 ( 4.237 2.795 1.717) 5.358 10.093 ( 4.747 2.052 -27.584) 28.064 18.608 ( -0.532 0.405 -0.345) 0.752 19.325 ( -3.355 -13.229 19.823) 24.067 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 7.746 -0.853 3.866) 8.699 1.516 ( 6.207 2.924 1.049) 6.941 2.118 ( 3.403 2.665 12.199) 12.942 3.439 ( 1.947 19.873 -2.437) 20.116 3.938 ( -8.936 -11.137 -7.091) 15.942 4.891 ( 13.402 16.822 -2.487) 21.652 7.113 ( 3.891 3.113 -2.902) 5.767 7.826 ( -6.612 9.771 17.688) 21.262 8.388 ( 5.096 3.969 1.733) 6.687 10.095 ( 5.060 -1.919 -20.765) 21.458 18.600 ( -0.737 0.446 -1.249) 1.517 19.208 ( -2.783 -10.768 14.421) 18.212 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 6.365 -2.361 -0.834) 6.839 1.625 ( 3.646 1.406 0.604) 3.954 2.266 ( 6.415 2.202 9.123) 11.368 3.480 ( -8.755 -5.748 -1.457) 10.574 3.820 ( -3.676 21.177 -6.538) 22.466 5.248 ( 14.802 5.995 -2.513) 16.166 7.203 ( 3.627 3.854 -3.793) 6.511 7.844 ( -8.922 8.420 17.147) 21.084 8.521 ( 3.977 4.852 1.174) 6.382 10.089 ( 5.632 -5.145 -14.570) 16.446 18.578 ( -1.196 -0.631 -0.727) 1.535 19.119 ( -1.465 -7.602 8.542) 11.529 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 3.926 -3.226 -3.289) 6.053 1.684 ( 2.022 0.697 0.143) 2.144 2.428 ( 6.663 0.437 3.807) 7.687 3.223 ( -8.166 -7.720 -1.994) 11.413 3.984 ( -7.708 28.651 -1.486) 29.707 5.494 ( 12.598 -3.592 -2.613) 13.359 7.288 ( 2.904 4.510 -5.102) 7.403 7.805 ( -10.774 6.512 16.256) 20.561 8.617 ( 0.960 4.647 -0.195) 4.749 10.095 ( 6.957 -6.703 -8.945) 13.166 18.548 ( -0.770 -1.189 0.120) 1.422 19.058 ( -0.780 -5.095 3.217) 6.076 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 1.477 -3.460 -4.383) 5.776 1.715 ( 0.964 0.310 -0.013) 1.013 2.452 ( -3.803 -3.791 -3.614) 6.473 3.128 ( 3.957 -1.025 2.316) 4.698 4.084 ( -13.007 26.521 1.661) 29.586 5.586 ( 6.741 -10.048 -2.432) 12.342 7.356 ( 1.750 4.855 -6.596) 8.375 7.716 ( -11.649 4.086 14.838) 19.302 8.638 ( -2.657 3.074 -1.685) 4.399 10.141 ( 8.389 -6.031 -4.222) 11.161 18.539 ( 0.867 -0.658 0.725) 1.308 19.003 ( -1.150 -3.686 -0.745) 3.932 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -1.190 -3.260 -4.572) 5.740 1.726 ( 0.128 0.049 0.077) 0.158 2.242 ( -11.871 -3.712 -5.142) 13.459 3.303 ( 12.039 1.879 2.615) 12.463 4.073 ( -16.039 20.021 3.451) 25.885 5.508 ( -1.972 -11.899 -1.974) 12.222 7.397 ( 0.058 5.202 -8.065) 9.598 7.591 ( -10.948 0.830 13.081) 17.078 8.581 ( -5.254 1.220 -2.132) 5.800 10.233 ( 8.769 -3.956 -1.091) 9.682 18.576 ( 3.120 0.381 1.561) 3.509 18.935 ( -2.078 -2.865 -3.439) 4.935 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -4.693 -2.395 -3.440) 6.292 1.721 ( -0.747 -0.125 0.305) 0.817 1.972 ( -13.901 -1.302 -3.383) 14.366 3.528 ( 7.305 2.750 1.556) 7.959 3.980 ( -10.442 9.171 2.777) 14.172 5.277 ( -11.781 -8.212 -1.211) 14.412 7.399 ( -4.749 8.086 -10.660) 14.198 7.455 ( -6.182 -5.386 12.733) 15.145 8.477 ( -6.394 0.222 -1.316) 6.531 10.350 ( 7.886 -1.738 0.295) 8.081 18.666 ( 5.135 1.300 3.533) 6.367 18.850 ( -2.890 -2.242 -5.475) 6.585 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -8.824 -0.000 0.000) 8.824 1.698 ( -1.953 -0.000 0.000) 1.953 1.714 ( -14.326 -0.000 0.000) 14.326 3.488 ( -13.191 -0.000 0.000) 13.191 4.043 ( 11.514 0.000 -0.000) 11.514 4.946 ( -20.494 -0.000 0.000) 20.494 7.282 ( -8.450 -0.000 0.000) 8.450 7.400 ( -2.048 -0.000 0.000) 2.048 8.363 ( -6.432 -0.000 0.000) 6.432 10.467 ( 6.202 0.000 -0.000) 6.202 18.747 ( -4.915 -0.000 0.000) 4.915 18.808 ( 8.054 0.000 -0.000) 8.054 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 0.000 0.855 12.643) 12.672 1.106 ( 0.000 7.905 2.153) 8.193 1.983 ( 0.000 3.269 13.729) 14.113 3.086 ( -0.000 8.444 -2.536) 8.816 4.217 ( -0.000 18.784 -7.743) 20.317 4.513 ( 0.000 -0.336 0.431) 0.547 6.959 ( -0.000 2.441 -1.913) 3.101 7.831 ( 0.000 10.911 20.195) 22.954 8.177 ( 0.000 1.262 1.061) 1.649 10.002 ( -0.000 6.458 -33.570) 34.186 18.621 ( 0.000 -0.303 0.750) 0.809 19.390 ( 0.000 -15.441 21.941) 26.830 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 3.312 -0.608 8.738) 9.365 1.251 ( 6.931 5.524 1.699) 9.024 2.058 ( 0.595 2.084 11.143) 11.352 3.220 ( 6.227 9.996 -2.638) 12.069 4.154 ( -3.370 -13.662 -4.938) 14.913 4.695 ( 0.487 28.164 -2.479) 28.277 6.998 ( 2.048 2.548 -1.410) 3.560 7.991 ( -2.423 10.657 20.919) 23.602 8.222 ( 3.270 1.517 0.970) 3.733 9.967 ( 1.940 4.403 -29.409) 29.800 18.621 ( -0.398 0.993 -0.673) 1.263 19.292 ( -1.534 -14.741 18.116) 23.406 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 5.676 -1.867 3.902) 7.136 1.431 ( 7.386 3.007 1.441) 8.104 2.130 ( 1.862 1.443 8.805) 9.114 3.478 ( 10.197 11.931 -1.571) 15.774 3.907 ( -5.132 -13.398 -6.318) 15.677 4.968 ( 1.371 22.910 -2.390) 23.075 7.067 ( 3.414 2.474 -1.412) 4.446 8.104 ( -5.091 10.537 19.443) 22.693 8.329 ( 5.915 2.499 2.212) 6.792 9.940 ( 2.563 0.784 -24.102) 24.251 18.619 ( -0.925 1.160 -1.307) 1.977 19.180 ( -1.760 -12.412 13.631) 18.519 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 6.433 -2.816 -0.297) 7.028 1.566 ( 5.106 1.411 1.014) 5.393 2.220 ( 4.021 1.033 6.495) 7.708 3.541 ( -7.686 -9.004 -1.608) 11.947 3.920 ( 11.538 14.367 -5.588) 19.255 5.172 ( 2.485 12.259 -2.190) 12.698 7.151 ( 4.063 2.179 -1.798) 4.948 8.160 ( -7.982 10.357 17.200) 21.606 8.482 ( 6.260 3.985 3.124) 8.052 9.902 ( 3.396 -3.487 -18.606) 19.232 18.599 ( -1.705 0.173 -0.883) 1.928 19.086 ( -0.951 -8.922 8.615) 12.439 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 5.476 -3.187 -2.689) 6.883 1.649 ( 3.063 0.670 0.496) 3.174 2.334 ( 5.908 0.343 3.551) 6.901 3.287 ( -8.829 -7.890 -2.061) 12.019 4.270 ( 6.660 22.054 -2.323) 23.155 5.284 ( 4.691 -0.673 -2.274) 5.257 7.236 ( 4.147 1.658 -2.304) 5.025 8.151 ( -11.176 9.695 14.797) 20.925 8.627 ( 3.598 4.732 2.109) 6.307 9.872 ( 5.843 -6.606 -12.736) 15.491 18.561 ( -1.821 -0.705 -0.023) 1.953 19.026 ( -0.296 -5.594 3.920) 6.837 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 3.461 -2.799 -3.164) 5.461 1.696 ( 1.710 0.315 0.162) 1.746 2.425 ( 2.862 -1.191 -0.239) 3.110 3.107 ( -3.453 -3.292 0.137) 4.773 4.527 ( -5.336 25.025 0.252) 25.589 5.320 ( 8.220 -11.758 -2.503) 14.563 7.310 ( 3.731 1.029 -2.570) 4.646 8.066 ( -14.017 7.709 11.272) 19.569 8.697 ( -0.842 3.289 -0.172) 3.400 9.902 ( 9.247 -6.210 -6.473) 12.882 18.532 ( -0.615 -0.614 0.438) 0.973 18.983 ( -0.596 -3.297 0.685) 3.420 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 1.003 -1.716 -2.193) 2.959 1.719 ( 0.791 0.101 0.040) 0.798 2.369 ( -6.741 -1.711 -1.830) 7.191 3.136 ( 7.761 -0.004 1.205) 7.854 4.552 ( -16.061 16.090 1.373) 22.775 5.339 ( 7.672 -10.396 -1.782) 13.042 7.367 ( 2.854 0.518 -2.086) 3.573 7.899 ( -15.169 3.957 6.132) 16.833 8.669 ( -4.120 1.028 -1.033) 4.370 10.019 ( 10.741 -3.020 -1.857) 11.311 18.538 ( 1.593 -0.076 0.500) 1.671 18.939 ( -1.652 -1.646 -0.753) 2.450 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -1.752 -0.000 0.000) 1.752 1.727 ( 0.050 0.000 -0.000) 0.050 2.186 ( -11.920 -0.000 0.000) 11.920 3.332 ( 13.043 0.000 -0.000) 13.043 4.323 ( -18.511 -0.000 0.000) 18.511 5.346 ( -1.290 -0.000 0.000) 1.290 7.405 ( 1.594 0.000 -0.000) 1.594 7.672 ( -13.885 -0.000 0.000) 13.885 8.583 ( -5.733 -0.000 0.000) 5.733 10.185 ( 9.873 0.000 -0.000) 9.873 18.589 ( 4.130 0.000 -0.000) 4.130 18.888 ( -2.972 -0.000 0.000) 2.972 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 0.000 -1.946 6.411) 6.699 1.243 ( 0.000 4.623 1.525) 4.868 2.102 ( 0.000 1.117 8.360) 8.435 3.235 ( -0.000 7.697 -2.312) 8.037 4.020 ( -0.000 -15.403 -4.480) 16.041 4.974 ( -0.000 27.689 -2.658) 27.817 7.002 ( -0.000 2.544 -0.645) 2.625 8.192 ( 0.000 9.633 22.440) 24.421 8.204 ( 0.000 0.993 0.090) 0.998 9.901 ( -0.000 5.096 -27.795) 28.258 18.636 ( -0.000 1.720 -1.225) 2.112 19.215 ( 0.000 -14.458 15.337) 21.077 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 2.871 -2.891 3.309) 5.249 1.344 ( 5.819 2.917 1.201) 6.619 2.142 ( 0.866 0.483 5.964) 6.046 3.382 ( 9.095 7.428 -1.817) 11.882 3.824 ( -3.283 -13.820 -4.668) 14.952 5.206 ( -1.668 22.320 -2.495) 22.521 7.041 ( 1.825 2.297 -0.406) 2.961 8.248 ( 3.555 1.583 0.035) 3.892 8.348 ( -1.291 8.456 21.812) 23.429 9.857 ( -0.026 3.422 -24.012) 24.255 18.644 ( -0.706 1.847 -1.556) 2.516 19.119 ( -0.673 -12.412 11.876) 17.192 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 4.978 -3.209 0.232) 5.927 1.482 ( 6.412 1.411 0.897) 6.626 2.189 ( 2.323 0.152 4.008) 4.635 3.557 ( -3.806 -7.213 -0.432) 8.167 3.734 ( 15.213 4.759 -5.158) 16.754 5.337 ( -4.002 14.748 -2.147) 15.432 7.104 ( 3.038 1.765 -0.576) 3.560 8.344 ( 3.531 3.050 1.593) 4.930 8.482 ( -0.161 7.582 18.569) 20.058 9.791 ( -0.687 -0.240 -19.551) 19.565 18.632 ( -1.779 1.008 -1.168) 2.354 19.036 ( -0.337 -8.900 7.796) 11.836 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 5.816 -2.772 -1.556) 6.628 1.591 ( 4.591 0.590 0.503) 4.656 2.257 ( 4.189 -0.039 2.272) 4.765 3.354 ( -7.824 -6.446 -1.512) 10.250 4.146 ( 21.550 9.004 -2.176) 23.457 5.343 ( -6.584 6.031 -1.647) 9.079 7.175 ( 3.651 1.057 -0.794) 3.883 8.409 ( -2.561 4.612 5.639) 7.722 8.632 ( 2.654 6.432 10.736) 12.794 9.703 ( 0.834 -4.133 -14.308) 14.916 18.596 ( -2.508 -0.033 -0.290) 2.525 18.986 ( 0.240 -5.051 3.732) 6.285 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 5.125 -1.611 -1.499) 5.577 1.660 ( 2.838 0.209 0.171) 2.851 2.345 ( 5.047 -0.234 0.619) 5.090 3.171 ( -7.012 -2.658 -0.499) 7.515 4.607 ( 19.759 10.703 -0.545) 22.478 5.215 ( -9.095 -3.437 -1.166) 9.793 7.245 ( 3.794 0.413 -0.722) 3.884 8.373 ( -9.166 3.945 5.304) 11.301 8.739 ( 0.200 3.535 3.070) 4.687 9.679 ( 6.512 -4.187 -6.566) 10.151 18.552 ( -2.038 -0.267 0.139) 2.060 18.963 ( 0.134 -2.103 0.987) 2.327 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 3.282 0.000 -0.000) 3.282 1.699 ( 1.621 0.000 -0.000) 1.621 2.408 ( 1.226 0.000 -0.000) 1.226 3.077 ( -1.324 -0.000 0.000) 1.324 4.939 ( -15.834 -0.000 0.000) 15.834 5.033 ( 18.080 0.000 -0.000) 18.080 7.309 ( 3.539 0.000 -0.000) 3.539 8.196 ( -14.319 -0.000 0.000) 14.319 8.734 ( -2.648 -0.000 0.000) 2.648 9.805 ( 10.852 0.000 -0.000) 10.852 18.528 ( -0.464 -0.000 0.000) 0.464 18.950 ( -0.649 -0.000 0.000) 0.649 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 0.000 -3.432 1.971) 3.958 1.319 ( 0.000 2.258 0.794) 2.393 2.153 ( 0.000 -0.104 3.696) 3.697 3.353 ( -0.000 5.186 -1.688) 5.454 3.709 ( -0.000 -11.694 -3.497) 12.206 5.418 ( -0.000 17.595 -2.331) 17.749 7.047 ( 0.000 1.970 0.053) 1.971 8.220 ( -0.000 0.671 -0.295) 0.733 8.510 ( 0.000 6.642 19.743) 20.830 9.822 ( -0.000 4.020 -20.496) 20.887 18.665 ( -0.000 2.074 -1.758) 2.718 19.044 ( 0.000 -10.669 9.391) 14.213 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 2.651 -3.040 0.334) 4.047 1.391 ( 5.265 1.211 0.543) 5.429 2.169 ( 1.091 -0.278 2.090) 2.374 3.486 ( 9.543 3.278 -0.185) 10.092 3.574 ( -1.586 -7.302 -3.543) 8.270 5.531 ( -3.092 11.359 -1.793) 11.908 7.078 ( 1.572 1.376 0.020) 2.089 8.268 ( 4.708 0.716 -0.236) 4.768 8.627 ( -0.271 5.111 15.741) 16.552 9.773 ( -2.419 2.136 -15.328) 15.665 18.668 ( -1.218 1.451 -1.396) 2.353 18.979 ( 0.065 -7.318 6.132) 9.548 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 4.736 -1.735 -0.514) 5.070 1.504 ( 6.013 0.411 0.283) 6.033 2.203 ( 2.544 -0.172 0.965) 2.727 3.418 ( -5.820 -3.720 -0.739) 6.946 3.809 ( 20.643 2.681 -1.201) 20.851 5.524 ( -6.645 4.935 -0.957) 8.333 7.126 ( 2.692 0.637 -0.133) 2.769 8.379 ( 6.397 0.752 -0.023) 6.442 8.719 ( 0.423 3.748 9.750) 10.455 9.674 ( -4.366 -0.518 -9.044) 10.056 18.641 ( -2.450 0.381 -0.465) 2.523 18.947 ( 0.543 -3.247 2.527) 4.150 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 5.673 0.000 -0.000) 5.673 1.599 ( 4.449 0.000 -0.000) 4.449 2.263 ( 4.162 0.000 -0.000) 4.162 3.283 ( -7.244 -0.000 0.000) 7.244 4.230 ( 25.067 0.000 -0.000) 25.067 5.397 ( -10.199 -0.000 0.000) 10.199 7.182 ( 3.412 0.000 -0.000) 3.412 8.463 ( 1.342 0.000 -0.000) 1.342 8.768 ( 0.382 0.000 -0.000) 0.382 9.593 ( -0.969 -0.000 0.000) 0.969 18.594 ( -2.776 -0.000 0.000) 2.776 18.946 ( 0.612 0.000 -0.000) 0.612 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 0.000 -1.886 0.095) 1.888 1.351 ( 0.000 0.659 0.231) 0.699 2.162 ( 0.000 -0.259 0.849) 0.888 3.415 ( -0.000 1.799 -0.631) 1.907 3.528 ( -0.000 -4.233 -1.237) 4.410 5.642 ( -0.000 5.860 -1.012) 5.946 7.076 ( 0.000 0.750 0.112) 0.759 8.227 ( -0.000 0.241 -0.166) 0.292 8.706 ( 0.000 2.322 8.434) 8.748 9.779 ( -0.000 1.688 -8.145) 8.318 18.688 ( -0.000 1.047 -1.024) 1.465 18.936 ( 0.000 -4.122 3.420) 5.356 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 2.612 0.000 -0.000) 2.612 1.404 ( 5.105 0.000 -0.000) 5.105 2.172 ( 1.175 0.000 -0.000) 1.175 3.477 ( -3.150 -0.000 0.000) 3.150 3.528 ( 11.855 0.000 -0.000) 11.855 5.639 ( -3.552 -0.000 0.000) 3.552 7.093 ( 1.455 0.000 -0.000) 1.455 8.274 ( 5.014 0.000 -0.000) 5.014 8.740 ( 0.738 0.000 -0.000) 0.738 9.738 ( -3.779 -0.000 0.000) 3.779 18.678 ( -1.508 -0.000 0.000) 1.508 18.925 ( 0.414 0.000 -0.000) 0.414 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.083 ( 0.000 -0.000 7.960) 7.960 0.083 ( 0.000 -0.000 7.960) 7.960 0.567 ( 0.000 -0.000 53.617) 53.617 2.721 ( -0.000 0.000 -6.504) 6.504 2.721 ( -0.000 0.000 -6.504) 6.504 5.940 ( -0.000 0.000 -5.015) 5.015 6.946 ( -0.000 0.000 -2.075) 2.075 6.946 ( -0.000 0.000 -2.075) 2.075 8.027 ( 0.000 -0.000 2.838) 2.838 8.027 ( 0.000 -0.000 2.838) 2.838 19.481 ( -0.000 0.000 -0.891) 0.891 21.365 ( 0.000 -0.000 0.859) 0.859 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( 13.856 8.000 5.627) 16.961 0.500 ( 14.262 8.234 11.324) 19.986 0.883 ( 12.564 7.254 40.073) 42.619 2.661 ( -0.860 -0.497 -11.339) 11.382 2.901 ( 12.762 7.368 -9.952) 17.782 5.286 ( -18.780 -10.842 20.562) 29.884 6.966 ( 1.350 0.779 -1.430) 2.115 7.015 ( 2.906 1.678 3.568) 4.898 8.041 ( 0.670 0.387 3.121) 3.215 9.535 ( 53.301 30.773 -90.291) 109.272 19.214 ( -26.371 -15.225 20.279) 36.585 19.947 ( -38.529 -22.245 83.213) 94.360 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 13.832 7.986 7.610) 17.692 0.810 ( 9.403 5.429 19.640) 22.442 1.319 ( 12.841 7.414 25.502) 29.499 2.607 ( 0.270 0.156 -15.069) 15.072 3.266 ( 21.675 12.514 -7.659) 26.174 4.995 ( -12.988 -7.498 7.699) 16.857 6.994 ( 1.307 0.755 -1.232) 1.948 7.119 ( 4.540 2.621 5.932) 7.917 8.082 ( 1.936 1.118 3.389) 4.060 10.053 ( 20.263 11.699 -54.387) 59.206 18.793 ( -14.190 -8.193 19.689) 25.615 19.694 ( -11.868 -6.852 40.338) 42.603 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 12.277 7.088 10.070) 17.388 1.100 ( 10.421 6.016 13.826) 18.329 1.633 ( 7.304 4.217 23.419) 24.891 2.575 ( 2.009 1.160 -17.388) 17.542 3.836 ( 28.453 16.427 -5.857) 33.372 4.697 ( -14.186 -8.190 1.311) 16.433 7.013 ( 0.711 0.410 -1.239) 1.486 7.259 ( 5.225 3.016 7.816) 9.874 8.155 ( 3.238 1.869 3.453) 5.089 10.241 ( 10.651 6.149 -34.880) 36.985 18.636 ( -4.507 -2.602 7.064) 8.774 19.563 ( -10.305 -5.950 29.574) 31.878 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 9.057 5.229 11.177) 15.306 1.373 ( 9.974 5.758 2.921) 11.881 1.861 ( 5.767 3.329 26.180) 27.014 2.585 ( 4.235 2.445 -17.352) 18.028 4.344 ( -15.752 -9.095 -3.389) 18.502 4.499 ( 29.147 16.828 -4.519) 33.958 7.017 ( -0.040 -0.023 -1.033) 1.034 7.409 ( 4.900 2.829 9.236) 10.831 8.253 ( 4.062 2.345 2.989) 5.562 10.333 ( 6.326 3.652 -23.618) 24.721 18.597 ( -0.663 -0.383 1.235) 1.453 19.424 ( -9.331 -5.387 22.540) 24.983 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 4.933 2.848 9.032) 10.678 1.564 ( 6.568 3.792 -4.236) 8.688 2.114 ( 8.367 4.831 25.468) 27.239 2.652 ( 6.052 3.494 -13.424) 15.134 3.947 ( -16.690 -9.636 -6.537) 20.350 5.121 ( 24.885 14.367 -4.013) 29.014 7.007 ( -0.543 -0.313 -0.495) 0.799 7.545 ( 3.803 2.196 9.717) 10.663 8.357 ( 3.949 2.280 1.896) 4.938 10.379 ( 3.733 2.155 -15.866) 16.441 18.594 ( 0.049 0.028 -0.548) 0.551 19.297 ( -7.196 -4.154 15.626) 17.698 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 1.536 0.887 4.043) 4.415 1.661 ( 3.478 2.008 -4.708) 6.188 2.413 ( 10.150 5.860 17.613) 21.156 2.761 ( 5.996 3.462 -6.156) 9.264 3.537 ( -15.892 -9.175 -7.870) 19.967 5.599 ( 16.882 9.747 -3.204) 19.755 6.992 ( -0.601 -0.347 0.186) 0.719 7.646 ( 1.979 1.142 8.882) 9.171 8.441 ( 2.759 1.593 0.348) 3.205 10.402 ( 2.306 1.331 -9.880) 10.233 18.588 ( -0.406 -0.235 -0.408) 0.622 19.202 ( -4.629 -2.672 8.470) 10.016 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -0.650 -0.375 -1.102) 1.333 1.705 ( 1.724 0.995 -3.722) 4.221 2.633 ( 2.074 1.198 1.467) 2.809 2.872 ( 3.921 2.264 1.575) 4.793 3.226 ( -5.902 -3.407 -0.635) 6.844 5.865 ( 6.493 3.748 -2.044) 7.771 6.983 ( -0.259 -0.150 0.759) 0.816 7.692 ( -0.544 -0.314 6.984) 7.012 8.481 ( 0.759 0.438 -1.337) 1.598 10.424 ( 2.022 1.167 -5.126) 5.633 18.578 ( -0.201 -0.116 0.178) 0.293 19.134 ( -2.982 -1.721 1.841) 3.904 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -2.323 -1.341 -4.858) 5.550 1.720 ( 0.621 0.359 -3.200) 3.279 2.429 ( -13.953 -8.056 -13.560) 21.059 2.946 ( 0.935 0.540 7.874) 7.948 3.348 ( 11.452 6.612 7.883) 15.395 5.878 ( -4.938 -2.851 -1.053) 5.798 6.986 ( 0.247 0.142 1.046) 1.085 7.670 ( -3.070 -1.772 5.222) 6.311 8.465 ( -1.472 -0.850 -2.774) 3.253 10.463 ( 2.354 1.359 -1.668) 3.190 18.588 ( 0.901 0.520 1.088) 1.505 19.070 ( -2.277 -1.315 -3.971) 4.762 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -4.161 -2.403 -6.918) 8.423 1.710 ( -0.349 -0.201 -4.883) 4.900 2.016 ( -16.519 -9.537 -13.265) 23.234 2.970 ( -1.805 -1.042 12.014) 12.193 3.686 ( 14.620 8.441 5.400) 17.724 5.631 ( -15.845 -9.148 -0.904) 18.318 7.000 ( 0.575 0.332 0.913) 1.129 7.595 ( -4.733 -2.732 4.690) 7.202 8.397 ( -3.249 -1.876 -3.566) 5.176 10.518 ( 2.458 1.419 0.396) 2.866 18.626 ( 1.502 0.867 3.393) 3.811 19.004 ( -1.116 -0.645 -9.593) 9.679 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -6.447 -3.722 -7.267) 10.403 1.549 ( -13.861 -8.003 -24.314) 29.109 1.704 ( -4.623 -2.669 7.289) 9.035 2.952 ( -3.482 -2.010 13.631) 14.211 4.044 ( 14.698 8.486 2.842) 17.208 5.154 ( -24.201 -13.973 -1.633) 27.993 7.015 ( 0.438 0.253 0.220) 0.552 7.490 ( -5.700 -3.291 5.217) 8.398 8.298 ( -4.052 -2.340 -3.381) 5.773 10.575 ( 2.069 1.194 1.216) 2.680 18.658 ( -0.881 -0.509 5.793) 5.881 18.975 ( 2.774 1.602 -13.378) 13.756 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -15.455 -8.923 -18.058) 25.388 1.167 ( -8.977 -5.183 -6.091) 12.023 1.627 ( -4.904 -2.832 4.596) 7.294 2.911 ( -3.857 -2.227 12.650) 13.411 4.366 ( 8.934 5.158 -0.062) 10.316 4.539 ( -23.913 -13.806 -1.727) 27.666 7.018 ( -0.152 -0.088 -1.023) 1.038 7.368 ( -6.366 -3.675 5.920) 9.438 8.195 ( -3.781 -2.183 -2.151) 4.868 10.620 ( 1.511 0.872 0.625) 1.853 18.613 ( -3.825 -2.208 2.215) 4.941 19.050 ( 6.636 3.831 -8.818) 11.682 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -14.069 -8.123 -10.724) 19.466 0.913 ( -11.205 -6.469 -3.989) 13.539 1.483 ( -9.575 -5.528 5.736) 12.456 2.865 ( -3.338 -1.927 9.424) 10.182 3.842 ( -26.913 -15.538 -5.764) 31.607 4.684 ( 11.039 6.373 1.698) 12.859 7.000 ( -0.753 -0.435 -2.370) 2.524 7.238 ( -6.556 -3.785 6.169) 9.765 8.113 ( -2.848 -1.645 -0.315) 3.304 10.646 ( 1.035 0.597 -3.415) 3.618 18.519 ( -4.162 -2.403 0.450) 4.827 19.197 ( 7.134 4.119 -1.562) 8.385 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( -10.419 -6.016 7.710) 14.290 0.624 ( -12.723 -7.346 -1.805) 14.802 1.193 ( -18.006 -10.396 8.171) 22.340 2.822 ( -2.585 -1.492 4.628) 5.507 3.271 ( -19.055 -11.002 -8.326) 23.526 4.918 ( 8.271 4.775 4.564) 10.585 6.971 ( -0.798 -0.461 -3.085) 3.219 7.114 ( -5.789 -3.342 5.840) 8.877 8.060 ( -1.853 -1.070 1.349) 2.530 10.622 ( -0.770 -0.445 -21.039) 21.058 18.459 ( -1.613 -0.931 14.401) 14.521 19.357 ( 5.777 3.336 6.130) 9.060 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( 0.000 14.679 3.362) 15.059 0.551 ( 0.000 16.708 12.911) 21.115 1.056 ( 0.000 13.612 43.395) 45.480 2.731 ( -0.000 4.093 -7.507) 8.551 2.758 ( -0.000 10.485 -16.682) 19.704 5.366 ( 0.000 -22.150 16.471) 27.603 6.913 ( -0.000 -0.234 -3.767) 3.775 7.083 ( 0.000 7.046 6.046) 9.284 8.069 ( 0.000 1.139 4.211) 4.362 9.218 ( -0.000 60.243 -75.111) 96.286 19.261 ( 0.000 -22.827 7.941) 24.168 20.225 ( 0.000 -52.516 74.565) 91.202 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 12.213 12.161 5.351) 18.047 0.791 ( 5.678 8.026 18.240) 20.721 1.390 ( 4.596 14.346 34.292) 37.455 2.642 ( -5.715 7.365 -13.967) 16.792 3.031 ( 16.424 14.068 -11.807) 24.638 5.128 ( -9.544 -13.436 8.911) 18.735 6.932 ( 3.221 -0.522 -3.061) 4.474 7.181 ( -0.503 8.666 8.700) 12.290 8.094 ( 0.176 1.758 4.052) 4.420 9.661 ( 19.086 27.136 -60.383) 68.896 18.957 ( -10.525 -18.011 14.121) 25.191 19.943 ( -10.876 -19.914 50.073) 54.974 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 11.347 9.817 10.730) 18.446 1.036 ( 8.729 5.121 13.435) 16.820 1.694 ( 3.902 8.853 28.174) 29.789 2.592 ( -3.909 10.077 -16.110) 19.400 3.521 ( 24.238 18.726 -8.789) 31.865 4.835 ( -11.977 -11.733 2.655) 16.975 6.977 ( 3.027 0.005 -2.478) 3.912 7.301 ( 0.292 8.653 10.774) 13.822 8.146 ( 1.846 2.366 3.797) 4.840 9.960 ( 14.582 11.607 -43.322) 47.161 18.719 ( -6.584 -7.452 8.636) 13.170 19.762 ( -9.466 -12.362 34.712) 38.044 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 8.871 3.300 12.159) 15.409 1.305 ( 9.668 7.473 6.030) 13.626 1.915 ( 3.520 4.762 25.182) 25.869 2.603 ( -2.457 14.582 -15.567) 21.471 4.149 ( 27.864 18.656 -6.936) 34.242 4.492 ( -13.744 -11.692 -1.527) 18.109 7.015 ( 1.386 1.336 -2.184) 2.912 7.435 ( 1.127 6.887 12.578) 14.384 8.230 ( 3.098 3.089 3.199) 5.419 10.128 ( 10.590 5.109 -30.837) 33.003 18.620 ( -2.304 -2.155 3.218) 4.506 19.592 ( -9.012 -10.410 25.613) 29.080 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 7.780 2.027 1.668) 8.211 1.523 ( 5.947 3.694 7.416) 10.199 2.112 ( 5.811 2.766 21.703) 22.637 2.695 ( -1.467 19.444 -10.852) 22.316 4.096 ( -15.145 -11.925 -6.385) 20.307 4.798 ( 26.846 15.614 -4.332) 31.357 7.036 ( -0.559 2.917 -1.670) 3.408 7.561 ( 1.490 4.188 13.514) 14.227 8.332 ( 3.363 3.699 2.043) 5.401 10.228 ( 7.837 1.645 -21.656) 23.089 18.595 ( -0.388 -0.412 0.621) 0.840 19.425 ( -7.759 -8.642 18.038) 21.454 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 5.216 0.480 -3.229) 6.153 1.640 ( 2.590 1.224 3.885) 4.827 2.332 ( 9.021 1.953 15.574) 18.104 2.854 ( -1.769 21.792 -3.742) 22.182 3.683 ( -15.520 -11.103 -7.961) 20.677 5.346 ( 21.820 10.408 -3.772) 24.468 7.044 ( -2.106 4.402 -0.898) 4.961 7.659 ( 1.141 1.173 13.153) 13.254 8.427 ( 2.389 3.896 0.440) 4.591 10.290 ( 6.007 -0.421 -14.487) 15.689 18.588 ( -0.208 -0.505 -0.015) 0.546 19.282 ( -5.630 -6.416 10.773) 13.745 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 2.314 -1.764 -3.928) 4.888 1.684 ( 1.035 1.375 -1.077) 2.030 2.542 ( 7.625 -0.148 5.785) 9.572 3.025 ( -3.877 21.408 1.407) 21.801 3.311 ( -11.174 -8.040 -4.338) 14.433 5.718 ( 13.465 4.047 -3.051) 14.387 7.048 ( -3.003 5.600 -0.126) 6.356 7.710 ( -0.023 -1.736 11.629) 11.757 8.488 ( 0.356 3.452 -1.321) 3.713 10.335 ( 5.170 -1.409 -8.844) 10.340 18.577 ( -0.170 -0.837 0.238) 0.887 19.173 ( -3.736 -4.427 4.040) 7.062 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -0.402 -2.754 -5.309) 5.994 1.704 ( 0.548 1.348 -3.403) 3.701 2.509 ( -8.135 -6.915 -8.867) 13.879 3.097 ( -5.529 12.552 3.115) 14.066 3.277 ( 5.405 6.900 8.251) 12.038 5.861 ( 2.961 -2.722 -2.379) 4.673 7.053 ( -3.291 6.315 0.358) 7.130 7.703 ( -1.726 -3.975 9.859) 10.769 8.495 ( -2.095 2.379 -2.852) 4.264 10.386 ( 5.120 -1.524 -4.839) 7.208 18.576 ( 0.836 -0.388 0.833) 1.242 19.083 ( -2.895 -3.308 -1.569) 4.668 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -2.536 -3.418 -7.008) 8.199 1.703 ( -0.537 1.166 -5.688) 5.831 2.173 ( -15.321 -7.556 -9.696) 19.643 3.146 ( -6.619 11.430 8.743) 15.839 3.539 ( 12.278 7.379 5.920) 15.500 5.746 ( -8.347 -9.038 -2.206) 12.499 7.062 ( -3.202 6.292 0.330) 7.068 7.646 ( -3.226 -5.042 8.937) 10.756 8.446 ( -4.136 1.080 -3.711) 5.661 10.449 ( 5.120 -1.210 -2.737) 5.930 18.611 ( 2.340 0.671 2.454) 3.457 18.991 ( -2.549 -2.791 -6.282) 7.332 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -5.124 -5.329 -8.594) 11.336 1.638 ( -6.641 1.608 -16.494) 17.853 1.831 ( -12.020 -5.251 4.537) 13.879 3.144 ( -9.147 8.785 10.886) 16.714 3.866 ( 14.979 6.526 2.977) 16.608 5.384 ( -18.591 -13.637 -2.693) 23.213 7.067 ( -3.023 5.368 -0.342) 6.171 7.559 ( -4.323 -5.166 8.991) 11.234 8.355 ( -5.185 0.125 -3.558) 6.290 10.516 ( 4.604 -0.796 -2.520) 5.309 18.679 ( 1.754 1.138 6.475) 6.804 18.905 ( -0.245 -1.800 -10.997) 11.146 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -9.732 -7.992 -10.362) 16.308 1.388 ( -14.744 2.890 -12.072) 19.273 1.704 ( -4.613 -2.727 8.348) 9.920 3.087 ( -9.670 5.560 10.262) 15.157 4.199 ( 14.969 5.406 1.251) 15.964 4.832 ( -25.680 -15.209 -3.597) 30.061 7.058 ( -2.913 3.719 -1.571) 4.978 7.456 ( -5.373 -4.905 9.278) 11.790 8.253 ( -5.100 -0.205 -2.339) 5.614 10.571 ( 3.590 -0.311 -4.264) 5.582 18.678 ( -4.242 -1.204 3.614) 5.701 18.931 ( 7.092 1.652 -5.887) 9.364 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -12.909 -5.820 -4.228) 14.778 1.130 ( -15.211 2.719 -4.981) 16.235 1.609 ( -6.865 -3.334 8.208) 11.208 2.997 ( -8.359 2.057 6.821) 10.983 4.169 ( -28.177 -11.975 -5.832) 31.167 4.524 ( 13.182 3.098 1.925) 13.678 7.030 ( -2.737 2.021 -2.840) 4.431 7.339 ( -6.313 -4.422 9.095) 11.922 8.164 ( -4.195 -0.152 -0.478) 4.225 10.598 ( 2.100 0.210 -9.372) 9.607 18.584 ( -4.818 -1.465 1.172) 5.171 19.094 ( 8.693 2.556 3.378) 9.670 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( -11.362 -1.250 12.234) 16.743 0.866 ( -16.585 2.012 -0.857) 16.728 1.431 ( -13.197 -4.793 10.280) 17.402 2.887 ( -5.851 -2.048 0.514) 6.221 3.563 ( -26.621 -5.127 -7.055) 28.013 4.786 ( 12.239 1.699 3.863) 12.946 6.990 ( -2.200 1.197 -3.360) 4.191 7.214 ( -6.610 -3.638 8.169) 11.120 8.101 ( -3.029 -0.227 1.247) 3.284 10.562 ( -1.348 0.473 -23.060) 23.104 18.525 ( -1.642 -0.403 10.071) 10.212 19.292 ( 8.184 1.891 11.736) 14.432 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 0.000 13.748 4.368) 14.425 0.894 ( 0.000 5.957 21.773) 22.574 1.620 ( 0.000 13.214 31.493) 34.153 2.783 ( -0.000 6.720 -8.290) 10.672 2.972 ( -0.000 24.605 -17.412) 30.142 5.088 ( 0.000 -15.755 6.116) 16.900 6.893 ( -0.000 0.989 -3.659) 3.790 7.324 ( 0.000 10.451 12.103) 15.991 8.122 ( 0.000 1.102 3.963) 4.114 9.582 ( -0.000 27.219 -54.922) 61.297 18.899 ( 0.000 -17.308 10.451) 20.219 19.979 ( 0.000 -22.063 43.837) 49.076 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 10.619 11.099 5.234) 16.228 1.042 ( 3.067 2.977 20.587) 21.026 1.837 ( 1.064 7.602 25.622) 26.747 2.764 ( -5.654 12.893 -11.189) 17.983 3.353 ( 15.197 26.905 -11.156) 32.852 4.879 ( -7.085 -15.071 2.152) 16.792 6.918 ( 2.588 1.244 -2.904) 4.084 7.467 ( -1.602 11.505 14.173) 18.325 8.155 ( 1.093 1.486 3.558) 4.007 9.725 ( 9.338 16.473 -45.556) 49.335 18.749 ( -3.602 -9.995 7.282) 12.881 19.862 ( -5.186 -17.894 34.386) 39.109 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 6.846 2.746 9.080) 11.698 1.225 ( 9.909 6.029 11.988) 16.680 1.994 ( 1.630 3.498 20.319) 20.683 2.803 ( -3.775 19.298 -10.647) 22.361 3.901 ( 20.628 24.294 -7.348) 32.707 4.573 ( -10.789 -14.104 -1.345) 17.808 6.977 ( 3.222 1.687 -2.285) 4.295 7.596 ( -2.738 11.027 15.499) 19.218 8.220 ( 2.763 2.434 3.190) 4.872 9.884 ( 10.621 8.126 -35.669) 38.094 18.645 ( -2.452 -3.898 3.732) 5.928 19.695 ( -6.821 -15.303 26.242) 31.135 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 6.772 0.529 4.926) 8.391 1.468 ( 7.562 3.295 7.881) 11.409 2.123 ( 3.211 1.798 16.243) 16.654 2.944 ( -2.436 25.047 -7.109) 26.150 4.178 ( -10.629 -12.868 -7.467) 18.285 4.520 ( 20.756 18.150 -2.625) 27.697 7.042 ( 2.463 2.840 -2.159) 4.335 7.699 ( -3.493 8.931 16.630) 19.197 8.318 ( 3.630 3.617 2.387) 5.653 10.006 ( 9.731 2.727 -26.790) 28.633 18.603 ( -0.933 -1.013 1.339) 1.921 19.510 ( -6.832 -13.032 19.037) 24.061 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 5.967 -0.592 -1.251) 6.125 1.609 ( 3.935 0.908 4.761) 6.243 2.269 ( 5.945 1.384 12.875) 14.249 3.152 ( -2.893 27.619 -2.392) 27.873 3.795 ( -13.821 -12.030 -8.285) 20.109 5.053 ( 21.915 12.077 -3.363) 25.248 7.102 ( 0.943 4.597 -2.304) 5.228 7.767 ( -4.069 5.671 17.300) 18.655 8.427 ( 3.135 4.631 0.992) 5.680 10.093 ( 8.587 -0.920 -19.152) 21.009 18.589 ( -0.471 -0.574 0.358) 0.824 19.338 ( -5.567 -10.211 12.179) 16.840 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 3.995 -1.903 -4.563) 6.357 1.672 ( 1.677 0.612 1.207) 2.155 2.437 ( 7.242 0.543 7.286) 10.287 3.344 ( -5.149 13.728 3.443) 15.061 3.442 ( -12.627 4.998 -8.941) 16.259 5.473 ( 17.473 4.372 -3.403) 18.330 7.151 ( -0.812 6.569 -2.558) 7.096 7.790 ( -4.600 1.885 17.132) 17.838 8.516 ( 1.204 4.932 -0.743) 5.131 10.158 ( 7.902 -3.130 -12.791) 15.357 18.573 ( -0.465 -1.091 0.367) 1.241 19.199 ( -3.893 -7.232 5.747) 10.024 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 1.594 -2.864 -6.085) 6.912 1.699 ( 0.658 1.029 -1.276) 1.766 2.512 ( -0.742 -3.351 -3.237) 4.718 3.182 ( -2.208 -3.495 1.464) 4.386 3.542 ( -8.456 26.816 3.169) 28.295 5.709 ( 9.750 -2.958 -3.336) 10.721 7.187 ( -2.459 8.179 -2.928) 9.028 7.765 ( -5.037 -1.660 16.293) 17.134 8.555 ( -1.597 4.200 -2.383) 5.087 10.222 ( 7.799 -3.840 -7.977) 11.798 18.560 ( 0.338 -1.058 0.772) 1.353 19.091 ( -2.970 -5.018 0.454) 5.849 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -0.842 -3.232 -7.035) 7.787 1.708 ( -0.203 1.274 -3.202) 3.452 2.315 ( -11.722 -5.585 -7.248) 14.871 3.268 ( 7.680 3.242 4.540) 9.492 3.648 ( -8.778 21.542 5.588) 23.924 5.721 ( -0.239 -9.041 -3.256) 9.613 7.207 ( -3.814 8.801 -3.467) 10.200 7.701 ( -5.082 -4.251 15.316) 16.687 8.528 ( -4.195 2.810 -3.333) 6.050 10.299 ( 7.736 -3.326 -5.163) 9.878 18.579 ( 2.243 -0.088 1.595) 2.753 18.990 ( -3.035 -3.767 -3.273) 5.841 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -3.852 -3.430 -7.454) 9.065 1.689 ( -2.153 1.923 -6.916) 7.494 2.020 ( -13.501 -3.938 -0.769) 14.085 3.428 ( -1.514 8.844 5.376) 10.460 3.754 ( 2.082 11.497 3.957) 12.336 5.500 ( -10.900 -12.679 -3.291) 17.041 7.204 ( -4.782 8.008 -4.137) 10.203 7.616 ( -4.726 -5.637 14.405) 16.175 8.450 ( -5.755 1.597 -3.175) 6.764 10.385 ( 7.090 -2.165 -4.523) 8.684 18.653 ( 4.517 1.269 3.671) 5.957 18.884 ( -3.441 -3.050 -5.797) 7.399 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -8.027 -2.867 -5.937) 10.387 1.594 ( -8.830 3.736 -12.131) 15.462 1.808 ( -7.868 -3.130 10.190) 13.249 3.401 ( -12.698 8.583 5.892) 16.420 3.991 ( 13.442 4.489 0.827) 14.196 5.084 ( -20.204 -12.372 -3.379) 23.930 7.171 ( -5.212 5.852 -4.694) 9.135 7.525 ( -4.618 -5.940 13.260) 15.246 8.348 ( -6.095 1.008 -1.989) 6.490 10.465 ( 5.691 -0.760 -6.014) 8.314 18.756 ( -3.790 -0.053 4.282) 5.719 18.801 ( 6.572 -0.091 -4.003) 7.696 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -11.442 -0.081 0.709) 11.464 1.401 ( -13.189 4.175 -6.533) 15.299 1.714 ( -5.275 -2.815 10.849) 12.388 3.231 ( -13.739 1.696 2.062) 13.996 4.280 ( 14.800 2.229 -0.170) 14.968 4.559 ( -26.011 -7.226 -3.089) 27.172 7.111 ( -4.854 3.206 -4.694) 7.475 7.427 ( -5.187 -5.264 11.582) 13.739 8.251 ( -5.505 0.764 -0.304) 5.566 10.518 ( 3.506 0.627 -10.190) 10.795 18.654 ( -4.611 -1.109 -2.473) 5.348 18.979 ( 8.986 1.886 8.742) 12.678 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -11.475 3.948 12.311) 17.286 1.179 ( -15.370 3.512 -0.431) 15.772 1.614 ( -7.935 -2.775 11.692) 14.400 2.987 ( -10.860 -5.267 -5.223) 13.151 4.027 ( -29.093 3.003 -3.500) 29.456 4.560 ( 14.941 -0.874 1.329) 15.025 7.044 ( -3.605 1.558 -3.785) 5.454 7.319 ( -6.079 -3.909 9.403) 11.860 8.171 ( -4.473 0.441 1.253) 4.666 10.514 ( -0.172 1.814 -19.006) 19.093 18.579 ( -2.512 -0.316 2.250) 3.387 19.199 ( 9.430 1.002 15.548) 18.212 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 0.000 10.627 5.105) 11.789 1.106 ( 0.000 0.476 20.362) 20.367 1.969 ( 0.000 4.114 20.288) 20.701 2.886 ( -0.000 9.261 -8.495) 12.567 3.516 ( -0.000 36.759 -9.388) 37.939 4.785 ( 0.000 -16.457 0.218) 16.459 6.903 ( -0.000 2.198 -2.581) 3.391 7.661 ( 0.000 12.470 17.256) 21.291 8.165 ( 0.000 0.727 2.914) 3.003 9.655 ( -0.000 15.420 -42.860) 45.549 18.707 ( 0.000 -7.818 5.282) 9.435 19.829 ( 0.000 -19.322 29.977) 35.664 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 7.788 7.205 4.498) 11.524 1.194 ( 3.333 -0.828 17.299) 17.636 2.066 ( 0.580 1.854 15.849) 15.968 2.965 ( 0.925 13.261 -8.335) 15.690 3.921 ( 7.224 32.199 -6.144) 33.566 4.568 ( -5.757 -14.381 -1.785) 15.593 6.940 ( 2.204 2.459 -1.871) 3.795 7.828 ( -2.684 12.501 18.554) 22.533 8.203 ( 2.351 1.102 2.777) 3.802 9.703 ( 5.744 10.586 -37.189) 39.091 18.649 ( -1.190 -3.873 3.184) 5.153 19.701 ( -3.308 -18.372 24.299) 30.641 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 4.704 -1.116 7.147) 8.628 1.383 ( 8.748 2.870 8.010) 12.204 2.146 ( 1.622 0.820 12.689) 12.819 3.144 ( 3.831 19.037 -6.627) 20.518 4.153 ( -3.760 -8.704 -7.658) 12.188 4.483 ( 5.498 19.963 -0.959) 20.728 7.009 ( 3.251 2.651 -1.403) 4.423 7.947 ( -4.987 11.644 18.372) 22.316 8.289 ( 4.229 2.372 3.111) 5.761 9.786 ( 7.806 5.259 -30.247) 31.677 18.614 ( -0.967 -1.105 1.452) 2.065 19.529 ( -4.695 -16.326 18.429) 25.064 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 5.396 -2.202 1.771) 6.091 1.552 ( 5.702 0.910 5.042) 7.666 2.236 ( 3.629 0.357 10.411) 11.031 3.411 ( 3.270 22.640 -2.879) 23.056 3.853 ( -9.816 -12.154 -8.777) 17.919 4.868 ( 12.997 17.008 -1.968) 21.496 7.091 ( 3.320 3.075 -1.501) 4.768 8.017 ( -7.002 10.054 18.328) 22.046 8.410 ( 4.526 3.996 2.511) 6.539 9.862 ( 8.296 0.397 -23.204) 24.646 18.597 ( -0.834 -0.310 0.489) 1.015 19.351 ( -4.500 -13.288 12.543) 18.819 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 4.847 -2.689 -2.812) 6.215 1.643 ( 2.958 0.291 2.335) 3.780 2.352 ( 5.664 -0.178 7.122) 9.102 3.461 ( -9.699 -8.865 -2.272) 13.335 3.755 ( -1.291 25.860 -5.424) 26.454 5.220 ( 14.411 6.261 -2.740) 15.949 7.172 ( 2.756 3.701 -2.199) 5.112 8.032 ( -9.060 7.850 18.494) 22.039 8.532 ( 2.991 5.133 0.881) 6.006 9.923 ( 8.721 -3.378 -16.662) 19.107 18.577 ( -1.012 -0.798 0.372) 1.341 19.200 ( -3.371 -9.633 6.817) 12.272 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 3.215 -2.802 -5.231) 6.749 1.688 ( 1.416 0.491 0.270) 1.522 2.453 ( 3.863 -1.453 0.892) 4.223 3.208 ( -6.579 -6.756 -0.744) 9.459 3.976 ( -6.066 29.135 -0.069) 29.760 5.461 ( 12.464 -3.327 -3.404) 13.342 7.243 ( 1.762 4.374 -3.411) 5.819 7.988 ( -10.768 4.970 18.321) 21.824 8.610 ( -0.065 4.902 -1.089) 5.022 9.990 ( 9.552 -5.048 -11.020) 15.433 18.553 ( -0.576 -1.176 0.701) 1.485 19.086 ( -2.477 -6.341 1.977) 7.089 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 1.016 -2.362 -5.814) 6.357 1.709 ( 0.458 0.774 -1.282) 1.566 2.408 ( -5.923 -3.103 -4.516) 8.069 3.158 ( 5.246 -1.432 3.231) 6.325 4.106 ( -11.664 26.170 2.538) 28.764 5.554 ( 6.879 -9.667 -3.627) 12.406 7.295 ( 0.347 5.013 -4.952) 7.055 7.888 ( -11.324 1.233 17.612) 20.975 8.616 ( -3.263 3.454 -2.369) 5.309 10.082 ( 10.060 -4.296 -7.014) 12.994 18.549 ( 1.125 -0.716 1.066) 1.707 18.993 ( -2.524 -3.979 -1.095) 4.838 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -1.641 -1.272 -4.922) 5.342 1.710 ( -0.585 1.146 -3.061) 3.320 2.205 ( -11.459 -2.089 -1.796) 11.785 3.329 ( 11.920 0.667 2.262) 12.151 4.108 ( -15.234 18.830 3.185) 24.429 5.480 ( -1.798 -11.109 -3.270) 11.720 7.318 ( -1.660 5.714 -6.675) 8.942 7.750 ( -9.944 -3.289 16.606) 19.633 8.558 ( -5.406 2.101 -2.198) 6.202 10.200 ( 9.450 -2.217 -5.281) 11.050 18.591 ( 3.755 0.005 1.272) 3.964 18.907 ( -3.284 -2.116 -1.773) 4.290 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -4.871 0.699 -2.146) 5.369 1.684 ( -2.730 2.133 -6.213) 7.114 1.990 ( -11.465 -1.136 5.635) 12.826 3.543 ( 8.068 1.149 1.143) 8.230 3.999 ( -10.973 7.245 0.838) 13.176 5.257 ( -11.776 -6.731 -2.378) 13.771 7.299 ( -4.459 5.903 -8.222) 11.060 7.605 ( -6.703 -7.164 15.660) 18.479 8.465 ( -6.359 1.468 -0.957) 6.596 10.321 ( 7.768 0.003 -5.827) 9.710 18.678 ( 5.597 -0.764 -1.743) 5.912 18.835 ( -3.236 0.652 3.253) 4.634 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -8.036 3.696 3.246) 9.422 1.601 ( -7.494 3.793 -8.299) 11.807 1.838 ( -7.864 -1.937 13.342) 15.608 3.481 ( -13.829 -3.541 -1.287) 14.333 4.033 ( 11.895 -0.966 -2.023) 12.105 4.938 ( -20.650 1.812 -1.453) 20.780 7.221 ( -6.309 3.174 -7.330) 10.178 7.492 ( -4.076 -6.724 13.197) 15.361 8.365 ( -6.378 1.130 0.497) 6.497 10.421 ( 5.228 1.795 -8.667) 10.280 18.681 ( -1.198 -1.687 -6.701) 7.014 18.907 ( 5.388 2.609 12.872) 14.196 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -9.628 6.831 10.304) 15.670 1.449 ( -11.675 3.813 -3.130) 12.674 1.752 ( -6.134 -2.195 15.446) 16.764 3.119 ( -15.346 -9.818 -7.981) 19.890 4.266 ( 16.206 -3.048 -1.541) 16.562 4.578 ( -26.649 9.972 -1.656) 28.502 7.113 ( -4.913 -0.054 -4.333) 6.551 7.409 ( -4.526 -3.461 9.719) 11.266 8.273 ( -5.720 0.843 1.720) 6.033 10.467 ( 1.621 2.951 -14.371) 14.760 18.617 ( -2.238 -0.388 -2.965) 3.735 19.105 ( 8.592 0.997 16.799) 18.895 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 0.000 6.688 4.739) 8.197 1.201 ( 0.000 -3.268 15.202) 15.549 2.122 ( 0.000 0.594 12.550) 12.564 3.030 ( -0.000 10.557 -8.024) 13.260 4.146 ( -0.000 18.827 -5.492) 19.611 4.508 ( -0.000 -0.141 -1.621) 1.627 6.942 ( -0.000 2.915 -1.383) 3.227 8.050 ( 0.000 12.214 21.155) 24.428 8.193 ( 0.000 0.441 1.937) 1.986 9.636 ( -0.000 10.518 -35.342) 36.873 18.637 ( 0.000 -2.207 2.161) 3.089 19.618 ( 0.000 -19.043 20.778) 28.185 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 1.922 -2.805 8.715) 9.355 1.293 ( 7.078 2.584 6.929) 10.236 2.168 ( 0.711 -0.252 9.970) 9.999 3.168 ( 6.391 12.069 -7.257) 15.466 4.094 ( -3.704 -12.774 -6.264) 14.701 4.678 ( 0.459 27.267 -1.044) 27.290 6.986 ( 1.967 2.897 -0.864) 3.607 8.192 ( -2.188 7.706 12.143) 14.548 8.260 ( 2.605 4.522 11.085) 12.252 9.647 ( 3.333 7.951 -30.845) 32.027 18.624 ( -0.552 -0.435 1.064) 1.275 19.477 ( -2.138 -17.765 16.537) 24.365 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 3.729 -4.044 4.610) 7.176 1.465 ( 7.228 1.102 4.836) 8.766 2.218 ( 2.075 -0.775 8.010) 8.310 3.445 ( 11.693 14.472 -4.941) 19.250 3.833 ( -6.601 -13.479 -7.286) 16.684 4.950 ( 1.357 22.530 -1.111) 22.599 7.057 ( 3.129 2.622 -0.585) 4.124 8.267 ( -1.583 6.695 9.058) 11.374 8.397 ( 1.803 6.044 12.969) 14.421 9.679 ( 4.582 3.620 -25.090) 25.761 18.614 ( -0.936 0.290 0.265) 1.015 19.315 ( -2.853 -14.958 11.957) 19.360 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 4.673 -3.844 0.064) 6.051 1.589 ( 4.694 0.168 2.922) 5.532 2.285 ( 3.913 -1.139 5.968) 7.226 3.516 ( -8.655 -9.958 -3.064) 13.544 3.856 ( 13.272 17.638 -6.246) 22.941 5.153 ( 2.232 12.193 -1.401) 12.475 7.138 ( 3.526 2.281 -0.741) 4.265 8.318 ( -5.359 7.310 12.025) 15.058 8.536 ( 2.764 6.093 7.739) 10.230 9.701 ( 5.760 -1.290 -19.103) 19.994 18.595 ( -1.463 -0.110 0.076) 1.470 19.170 ( -2.384 -11.076 7.239) 13.445 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 4.372 -2.882 -2.855) 5.964 1.659 ( 2.622 0.096 1.230) 2.897 2.367 ( 4.829 -1.335 2.782) 5.731 3.264 ( -8.187 -6.975 -2.177) 10.973 4.246 ( 7.972 22.971 -2.229) 24.417 5.261 ( 4.104 -0.317 -2.046) 4.597 7.217 ( 3.360 2.023 -1.319) 4.138 8.301 ( -9.747 6.157 13.239) 17.555 8.653 ( 1.020 5.716 2.834) 6.461 9.735 ( 8.358 -4.301 -12.932) 15.987 18.563 ( -1.556 -0.758 0.376) 1.771 19.063 ( -1.629 -7.040 2.992) 7.821 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 2.931 -1.342 -3.528) 4.779 1.696 ( 1.323 0.283 -0.074) 1.355 2.418 ( 1.046 -1.198 -1.078) 1.921 3.111 ( -2.060 -3.239 0.726) 3.906 4.532 ( -4.261 25.441 0.865) 25.810 5.291 ( 7.801 -11.240 -2.946) 13.996 7.285 ( 2.742 2.062 -2.152) 4.050 8.190 ( -13.139 2.524 11.986) 17.963 8.694 ( -2.177 3.697 -0.256) 4.298 9.829 ( 10.921 -3.302 -7.382) 13.589 18.537 ( -0.451 -0.811 0.608) 1.110 18.988 ( -1.494 -3.726 0.266) 4.023 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 0.816 0.578 -2.284) 2.493 1.713 ( 0.372 0.530 -1.244) 1.402 2.353 ( -6.826 -0.011 -1.198) 6.930 3.149 ( 7.898 -1.261 1.220) 8.091 4.568 ( -15.919 15.066 1.635) 21.979 5.316 ( 7.862 -8.840 -2.528) 12.097 7.338 ( 1.635 2.734 -3.169) 4.493 7.984 ( -13.972 -3.248 9.682) 17.307 8.660 ( -4.422 1.978 -0.529) 4.873 9.986 ( 11.092 -0.290 -4.426) 11.946 18.542 ( 1.687 -0.554 0.416) 1.823 18.934 ( -1.964 -1.073 -0.179) 2.245 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -1.534 2.714 0.359) 3.138 1.711 ( -0.674 0.994 -2.726) 2.979 2.204 ( -10.738 1.488 3.169) 11.294 3.329 ( 12.943 -1.243 -0.529) 13.013 4.320 ( -18.809 -2.139 -0.627) 18.940 5.341 ( -1.348 1.992 -0.876) 2.560 7.371 ( -0.552 4.419 -5.273) 6.902 7.728 ( -11.302 -9.077 9.413) 17.284 8.586 ( -5.771 1.224 0.504) 5.921 10.162 ( 9.363 2.197 -4.214) 10.500 18.584 ( 3.633 -0.836 -0.871) 3.829 18.902 ( -2.042 1.380 2.504) 3.513 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -3.791 4.859 3.988) 7.341 1.687 ( -2.476 1.973 -4.884) 5.820 2.050 ( -11.149 1.817 10.010) 15.093 3.511 ( 6.910 -4.125 -1.631) 8.212 3.941 ( -10.919 -10.975 -4.475) 16.115 5.282 ( -11.979 9.333 -0.312) 15.189 7.337 ( -6.505 3.259 -9.434) 11.913 7.524 ( -3.713 -9.512 13.051) 16.571 8.492 ( -6.404 0.749 1.440) 6.606 10.316 ( 6.720 3.579 -6.138) 9.780 18.625 ( 2.663 -1.404 -3.685) 4.759 18.928 ( 0.790 2.966 8.695) 9.221 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -5.638 6.534 7.800) 11.633 1.623 ( -5.822 3.349 -6.103) 9.075 1.932 ( -9.371 0.952 17.784) 20.125 3.256 ( -16.629 -13.950 -6.910) 22.779 3.935 ( 15.214 -5.480 -4.594) 16.811 5.109 ( -20.469 13.443 -1.174) 24.517 7.178 ( -6.309 -3.595 -4.458) 8.520 7.475 ( -2.217 -1.596 9.036) 9.440 8.393 ( -6.237 0.556 2.076) 6.597 10.416 ( 3.320 3.952 -10.074) 11.320 18.621 ( -0.048 -0.637 -3.898) 3.950 19.049 ( 5.375 1.734 14.083) 15.173 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 0.000 -5.832 10.336) 11.867 1.271 ( 0.000 3.377 3.767) 5.059 2.186 ( 0.000 -1.119 7.696) 7.777 3.185 ( -0.000 9.753 -7.131) 12.082 3.966 ( -0.000 -14.698 -5.724) 15.774 4.955 ( -0.000 27.148 -1.082) 27.170 6.995 ( -0.000 2.927 -0.540) 2.977 8.212 ( 0.000 0.286 1.462) 1.489 8.423 ( 0.000 9.332 21.100) 23.072 9.605 ( -0.000 9.034 -27.698) 29.134 18.632 ( 0.000 0.500 0.386) 0.632 19.370 ( 0.000 -17.198 13.838) 22.074 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 1.592 -5.842 6.863) 9.153 1.371 ( 6.035 1.403 3.858) 7.299 2.203 ( 0.982 -1.615 5.963) 6.255 3.340 ( 9.608 9.532 -6.169) 14.874 3.770 ( -3.816 -12.932 -5.417) 14.531 5.188 ( -1.628 21.942 -0.966) 22.024 7.038 ( 1.746 2.525 -0.272) 3.082 8.255 ( 3.751 0.786 1.378) 4.073 8.562 ( -1.330 7.342 18.001) 19.486 9.610 ( 0.385 7.389 -21.888) 23.105 18.635 ( -0.651 0.985 -0.288) 1.216 19.238 ( -1.193 -14.866 10.637) 18.319 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 3.489 -4.921 3.220) 6.838 1.504 ( 6.271 0.133 3.076) 6.986 2.234 ( 2.401 -1.780 4.609) 5.493 3.541 ( -6.070 -8.650 -2.782) 10.927 3.672 ( 17.738 9.261 -6.473) 21.031 5.322 ( -3.998 14.634 -0.657) 15.184 7.100 ( 2.864 1.840 -0.083) 3.405 8.357 ( 5.287 1.705 1.559) 5.769 8.660 ( -1.423 6.148 13.371) 14.785 9.600 ( -0.399 3.560 -15.475) 15.884 18.624 ( -1.495 0.694 -0.563) 1.741 19.114 ( -1.290 -11.180 7.063) 13.287 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 4.622 -2.946 0.557) 5.509 1.604 ( 4.298 -0.237 1.858) 4.688 2.285 ( 3.925 -1.641 3.057) 5.239 3.333 ( -7.617 -5.345 -2.571) 9.654 4.116 ( 22.070 10.588 -3.383) 24.711 5.333 ( -6.740 6.289 -0.262) 9.223 7.170 ( 3.371 1.193 -0.035) 3.576 8.449 ( 1.066 1.903 2.790) 3.542 8.732 ( -0.731 4.606 6.404) 7.922 9.576 ( 1.357 0.245 -8.756) 8.864 18.593 ( -2.163 -0.025 -0.288) 2.182 19.024 ( -0.737 -6.892 3.471) 7.752 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 4.469 -0.423 -0.448) 4.511 1.665 ( 2.546 -0.179 0.761) 2.664 2.354 ( 4.409 -1.031 1.116) 4.663 3.163 ( -6.500 -1.977 -1.003) 6.867 4.598 ( 20.589 11.445 -1.306) 23.592 5.208 ( -9.708 -2.578 -0.016) 10.044 7.240 ( 3.439 0.921 -0.097) 3.562 8.415 ( -7.481 -0.657 2.756) 8.000 8.758 ( -1.103 1.403 0.186) 1.795 9.630 ( 6.777 1.181 -2.408) 7.288 18.553 ( -1.863 -0.403 0.037) 1.907 18.972 ( -0.405 -3.059 0.850) 3.200 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 3.122 1.908 0.107) 3.661 1.698 ( 1.338 0.002 -0.137) 1.345 2.408 ( 1.133 0.561 0.002) 1.265 3.077 ( -1.179 -0.399 0.037) 1.245 4.941 ( -14.982 -6.754 0.262) 16.436 5.032 ( 17.100 7.976 -0.230) 18.870 7.309 ( 3.192 1.296 -0.117) 3.448 8.196 ( -13.221 -6.527 0.101) 14.745 8.734 ( -2.215 -0.106 -0.002) 2.217 9.805 ( 9.845 4.083 -0.013) 10.658 18.528 ( -0.452 -0.324 -0.001) 0.557 18.950 ( -0.565 -0.135 0.001) 0.581 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 1.280 3.615 1.564) 4.141 1.713 ( 0.421 0.307 -1.004) 1.131 2.390 ( -5.592 3.127 2.037) 6.723 3.124 ( 7.275 -1.079 -1.039) 7.427 4.540 ( -16.530 -16.890 -1.000) 23.654 5.352 ( 7.362 11.754 0.718) 13.887 7.378 ( 2.534 2.545 -0.173) 3.596 7.862 ( -13.630 -11.332 -0.652) 17.737 8.681 ( -3.779 -0.493 1.083) 3.962 10.025 ( 9.334 5.629 -0.703) 10.922 18.532 ( 1.349 -0.252 -0.432) 1.439 18.949 ( -0.725 1.931 1.132) 2.352 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -0.427 4.576 3.323) 5.671 1.713 ( -0.542 0.851 -2.111) 2.340 2.307 ( -9.948 5.047 6.763) 13.045 3.275 ( 12.000 -2.808 -2.700) 12.616 4.037 ( -17.463 -20.960 -3.261) 27.476 5.520 ( -2.337 12.439 0.297) 12.660 7.435 ( -1.874 5.442 -6.364) 8.580 7.530 ( -7.627 -14.440 6.947) 17.746 8.601 ( -5.063 -0.799 1.615) 5.374 10.224 ( 7.210 5.780 -2.831) 9.665 18.561 ( 2.324 -0.387 -1.253) 2.668 18.976 ( 0.050 2.939 4.167) 5.100 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -1.838 4.743 5.074) 7.185 1.694 ( -2.010 1.720 -3.637) 4.497 2.209 ( -11.160 5.817 13.169) 18.216 3.333 ( -7.189 -12.615 -2.622) 14.755 3.629 ( 4.600 -12.246 -7.804) 15.232 5.525 ( -11.587 13.062 -1.000) 17.489 7.226 ( -7.627 -8.223 -3.558) 11.766 7.519 ( 0.363 1.567 6.817) 7.004 8.505 ( -5.545 -0.704 1.772) 5.864 10.364 ( 4.299 4.949 -6.056) 8.924 18.588 ( 1.650 -0.349 -1.950) 2.578 19.045 ( 2.394 2.251 8.323) 8.948 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 0.000 -6.643 7.569) 10.071 1.339 ( 0.000 1.166 2.868) 3.096 2.194 ( 0.000 -1.989 4.502) 4.921 3.312 ( -0.000 7.238 -5.976) 9.386 3.668 ( -0.000 -10.397 -4.286) 11.246 5.403 ( -0.000 17.453 -0.603) 17.463 7.046 ( -0.000 2.170 -0.268) 2.187 8.226 ( 0.000 0.087 1.526) 1.528 8.678 ( 0.000 3.897 10.701) 11.388 9.634 ( -0.000 8.694 -13.735) 16.256 18.651 ( -0.000 1.423 -0.969) 1.722 19.140 ( 0.000 -13.067 8.742) 15.722 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 1.749 -5.350 6.050) 8.263 1.408 ( 5.352 0.082 2.726) 6.006 2.198 ( 1.143 -1.953 3.531) 4.194 3.459 ( 11.447 5.998 -5.097) 13.892 3.538 ( -3.371 -6.558 -3.167) 8.025 5.523 ( -3.088 11.487 0.097) 11.895 7.077 ( 1.587 1.457 -0.180) 2.162 8.275 ( 4.665 0.208 1.583) 4.931 8.730 ( 0.479 1.439 2.426) 2.861 9.659 ( -2.903 6.941 -4.922) 8.990 18.653 ( -0.991 1.355 -1.369) 2.166 19.045 ( -0.414 -9.882 6.270) 11.711 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 3.773 -2.751 4.175) 6.264 1.517 ( 5.884 -0.580 2.210) 6.312 2.222 ( 2.509 -1.721 2.576) 3.987 3.402 ( -5.737 -2.409 -2.384) 6.664 3.786 ( 20.877 4.633 -3.190) 21.622 5.524 ( -6.687 5.264 0.934) 8.561 7.126 ( 2.740 0.661 0.181) 2.825 8.387 ( 6.425 0.255 1.502) 6.603 8.742 ( 1.266 -1.256 -5.746) 6.016 9.641 ( -5.039 4.937 3.122) 7.715 18.633 ( -2.115 0.780 -1.091) 2.504 18.978 ( -0.065 -5.829 3.258) 6.678 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 5.042 0.154 2.798) 5.768 1.606 ( 4.245 -0.698 1.423) 4.531 2.270 ( 4.029 -1.431 1.265) 4.459 3.277 ( -7.105 1.193 -1.203) 7.304 4.222 ( 25.244 1.574 -1.487) 25.337 5.406 ( -10.291 0.419 1.661) 10.432 7.186 ( 3.464 0.160 0.737) 3.545 8.462 ( 0.346 -1.724 -0.622) 1.866 8.710 ( 2.607 -4.652 -10.069) 11.394 9.643 ( -2.106 5.710 8.750) 10.658 18.592 ( -2.643 0.260 -0.482) 2.699 18.949 ( 0.411 -1.930 0.500) 2.035 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 4.934 2.444 2.072) 5.883 1.663 ( 2.644 -0.577 0.743) 2.807 2.341 ( 5.214 -0.957 -0.200) 5.304 3.173 ( -7.073 3.535 -0.078) 7.908 4.609 ( 19.406 -9.525 -0.349) 21.621 5.232 ( -8.981 3.834 2.093) 9.986 7.256 ( 3.917 0.185 1.471) 4.189 8.303 ( -9.575 -8.784 -7.947) 15.232 8.703 ( 3.283 -3.649 -3.435) 5.991 9.759 ( 3.792 7.846 8.403) 12.106 18.550 ( -2.085 0.282 -0.163) 2.110 18.952 ( 0.512 0.897 -1.008) 1.443 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 3.646 3.708 1.820) 5.509 1.695 ( 1.498 -0.318 0.235) 1.549 2.423 ( 4.377 0.313 -0.751) 4.452 3.108 ( -4.418 3.841 0.385) 5.867 4.527 ( -6.084 -24.390 0.246) 25.138 5.342 ( 8.122 12.171 1.627) 14.722 7.338 ( 4.211 0.612 2.731) 5.056 7.958 ( -12.893 -12.447 -8.849) 19.986 8.696 ( 0.364 -3.109 -0.295) 3.144 9.963 ( 6.565 8.499 4.979) 11.837 18.529 ( -0.764 0.581 -0.133) 0.969 18.974 ( 0.410 2.499 -1.043) 2.739 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 2.004 3.958 1.741) 4.766 1.712 ( 0.611 0.123 -0.272) 0.680 2.479 ( -0.455 3.156 1.402) 3.483 3.111 ( 2.085 1.397 -0.848) 2.649 4.072 ( -14.434 -26.405 -0.578) 30.098 5.604 ( 6.353 10.406 0.851) 12.221 7.430 ( 4.011 -1.119 6.760) 7.940 7.583 ( -12.026 -9.932 -9.618) 18.324 8.650 ( -2.074 -3.045 0.607) 3.734 10.171 ( 6.143 7.697 1.405) 9.948 18.534 ( 0.591 0.723 -0.257) 0.968 19.008 ( 0.549 2.961 0.264) 3.023 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 0.654 3.407 1.804) 3.910 1.717 ( -0.352 0.765 -1.149) 1.425 2.479 ( -6.282 6.349 6.170) 10.855 3.196 ( 7.735 -2.551 -2.153) 8.425 3.542 ( -14.461 -24.038 -3.388) 28.257 5.751 ( -1.289 9.450 -0.431) 9.547 7.252 ( -7.958 -12.005 -1.389) 14.470 7.541 ( 2.262 4.192 2.609) 5.431 8.573 ( -3.474 -2.606 0.706) 4.400 10.330 ( 4.119 5.943 -2.042) 7.514 18.557 ( 1.242 0.528 -0.462) 1.426 19.056 ( 1.377 2.278 2.647) 3.754 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 0.000 -4.444 7.594) 8.799 1.364 ( 0.000 -0.302 2.251) 2.271 2.180 ( 0.000 -1.782 2.713) 3.246 3.387 ( -0.000 3.870 -4.631) 6.035 3.511 ( -0.000 -2.680 -2.087) 3.396 5.643 ( 0.000 6.171 1.097) 6.268 7.074 ( -0.000 0.829 -0.496) 0.966 8.237 ( 0.000 -0.294 1.922) 1.944 8.715 ( -0.000 -1.206 -6.961) 7.064 9.756 ( 0.000 6.046 4.055) 7.280 18.672 ( -0.000 1.663 -1.882) 2.511 18.980 ( 0.000 -7.365 4.665) 8.719 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 2.065 -2.191 7.023) 7.641 1.415 ( 5.133 -1.000 2.138) 5.649 2.181 ( 1.148 -1.580 1.716) 2.600 3.461 ( -1.219 1.351 -3.131) 3.621 3.520 ( 10.108 2.214 -1.420) 10.445 5.650 ( -3.588 0.338 2.088) 4.165 7.091 ( 1.634 0.059 -0.337) 1.669 8.284 ( 4.915 -0.522 1.929) 5.306 8.661 ( 0.626 -3.479 -13.906) 14.348 9.799 ( -3.707 4.149 10.520) 11.900 18.670 ( -1.368 1.321 -1.471) 2.404 18.936 ( 0.224 -3.818 1.958) 4.296 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 4.304 0.193 5.268) 6.805 1.512 ( 5.917 -1.364 1.872) 6.355 2.200 ( 2.465 -1.641 0.159) 2.966 3.417 ( -5.571 4.971 -0.916) 7.522 3.810 ( 20.687 -0.624 -0.957) 20.719 5.543 ( -6.743 -4.728 2.759) 8.685 7.129 ( 3.015 -0.568 0.529) 3.114 8.387 ( 5.808 -1.396 1.413) 6.138 8.562 ( 0.695 -6.632 -18.706) 19.859 9.806 ( -4.442 4.190 14.779) 15.991 18.642 ( -2.534 0.629 -0.374) 2.638 18.926 ( 0.739 -0.041 -1.228) 1.434 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 5.736 1.917 3.272) 6.876 1.596 ( 4.483 -1.347 1.521) 4.922 2.236 ( 4.204 -2.067 -1.955) 5.076 3.364 ( -7.652 7.593 0.378) 10.787 4.160 ( 21.515 -7.198 0.533) 22.693 5.367 ( -6.740 -6.041 2.847) 9.488 7.188 ( 4.067 -0.852 1.857) 4.551 8.307 ( -6.121 -9.429 -14.037) 17.984 8.546 ( 7.504 -3.741 -4.536) 9.533 9.859 ( -1.075 6.366 14.790) 16.137 18.599 ( -2.771 0.534 0.352) 2.844 18.947 ( 0.964 2.543 -3.465) 4.405 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 5.687 2.870 1.398) 6.522 1.653 ( 2.988 -1.114 1.417) 3.489 2.293 ( 6.428 -2.726 -4.267) 8.183 3.306 ( -8.833 8.855 1.623) 12.612 4.293 ( 6.119 -20.640 1.942) 21.615 5.308 ( 4.613 0.748 2.117) 5.130 7.267 ( 4.872 -1.040 3.692) 6.200 7.996 ( -10.229 -12.076 -14.581) 21.518 8.608 ( 4.712 -4.139 -1.561) 6.463 9.997 ( 2.823 8.146 10.937) 13.927 18.565 ( -2.128 0.970 0.601) 2.415 18.982 ( 0.946 3.604 -4.361) 5.736 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 4.285 3.009 -0.377) 5.249 1.691 ( 1.873 -0.643 1.546) 2.513 2.376 ( 8.484 -3.115 -6.035) 10.867 3.247 ( -8.697 8.463 2.545) 12.399 4.006 ( -8.890 -27.355 2.604) 28.881 5.515 ( 12.400 3.923 1.334) 13.074 7.353 ( 4.448 -3.920 7.317) 9.417 7.648 ( -10.262 -8.272 -13.510) 18.875 8.614 ( 1.628 -4.612 -0.783) 4.953 10.175 ( 4.125 8.118 6.213) 11.024 18.551 ( -1.074 1.380 0.601) 1.849 19.020 ( 0.967 3.423 -4.027) 5.373 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 0.000 -1.330 8.011) 8.121 1.359 ( 0.000 -1.607 1.773) 2.393 2.160 ( 0.000 -1.513 0.348) 1.553 3.400 ( -0.000 0.196 -3.402) 3.408 3.536 ( 0.000 5.839 0.335) 5.848 5.664 ( 0.000 -5.666 3.054) 6.436 7.071 ( -0.000 -0.585 -0.768) 0.966 8.240 ( 0.000 -0.851 2.271) 2.425 8.558 ( -0.000 -4.852 -18.377) 19.007 9.906 ( 0.000 1.934 14.885) 15.010 18.691 ( -0.000 0.895 -0.601) 1.078 18.912 ( -0.000 -0.548 -0.997) 1.138 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 2.407 -0.344 6.397) 6.844 1.397 ( 5.321 -2.257 1.800) 6.054 2.150 ( 1.014 -1.794 -1.718) 2.683 3.468 ( 8.059 -0.900 -3.409) 8.797 3.606 ( 0.162 8.294 2.314) 8.612 5.560 ( -3.170 -11.407 3.588) 12.371 7.077 ( 1.914 -1.159 -0.231) 2.250 8.280 ( 4.589 -1.327 2.008) 5.182 8.427 ( -0.633 -6.856 -21.309) 22.394 9.953 ( -2.438 1.171 17.948) 18.151 18.682 ( -1.453 -0.273 1.090) 1.836 18.920 ( 0.444 3.293 -4.852) 5.881 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 5.024 0.387 3.433) 6.098 1.488 ( 6.420 -2.491 2.019) 7.176 2.146 ( 2.193 -2.520 -4.391) 5.517 3.551 ( -1.266 5.957 -1.538) 6.281 3.777 ( 13.162 -0.534 2.822) 13.472 5.367 ( -4.197 -15.025 3.544) 15.997 7.113 ( 3.606 -1.585 1.324) 4.156 8.235 ( -3.517 -9.357 -20.255) 22.587 8.374 ( 7.053 -2.342 -0.474) 7.446 9.994 ( -1.860 2.698 18.604) 18.890 18.649 ( -2.176 -0.562 2.020) 3.022 18.953 ( 0.536 5.618 -7.645) 9.502 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 6.835 0.869 0.345) 6.899 1.573 ( 5.176 -2.334 2.445) 6.182 2.147 ( 3.943 -3.683 -7.446) 9.195 3.551 ( -6.349 8.111 0.451) 10.310 3.969 ( 10.714 -10.964 3.717) 15.774 5.199 ( 2.207 -12.506 2.766) 12.997 7.178 ( 4.827 -2.015 3.469) 6.277 7.971 ( -6.912 -10.891 -18.343) 22.425 8.462 ( 6.379 -3.692 -0.947) 7.431 10.085 ( 0.745 5.208 15.862) 16.712 18.615 ( -2.142 0.008 2.278) 3.126 18.992 ( 0.425 6.065 -9.093) 10.939 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 6.821 1.154 -2.673) 7.416 1.640 ( 3.821 -1.858 3.398) 5.440 2.161 ( 6.721 -5.221 -10.605) 13.598 3.495 ( -7.900 3.961 1.455) 8.957 3.886 ( -4.498 -17.339 5.895) 18.858 5.271 ( 14.699 -5.733 1.685) 15.867 7.255 ( 4.732 -3.993 6.253) 8.800 7.673 ( -7.947 -8.443 -15.223) 19.136 8.507 ( 4.230 -4.885 -1.388) 6.609 10.225 ( 2.519 6.652 11.025) 13.121 18.594 ( -1.658 0.775 2.223) 2.879 19.024 ( 0.429 5.087 -9.302) 10.610 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 0.000 -1.151 5.895) 6.006 1.322 ( 0.000 -3.290 1.268) 3.526 2.112 ( -0.000 -2.163 -4.185) 4.711 3.347 ( -0.000 -3.337 -2.704) 4.295 3.740 ( 0.000 12.910 2.337) 13.120 5.452 ( 0.000 -17.881 4.042) 18.333 7.044 ( -0.000 -1.545 -0.490) 1.621 8.233 ( 0.000 -1.462 2.151) 2.601 8.285 ( -0.000 -7.567 -22.373) 23.618 10.042 ( 0.000 -0.601 20.532) 20.541 18.690 ( 0.000 -1.922 2.920) 3.495 18.946 ( -0.000 7.192 -9.107) 11.604 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 2.775 -1.705 2.860) 4.335 1.347 ( 6.057 -4.088 1.713) 7.506 2.074 ( 0.753 -2.855 -7.024) 7.619 3.379 ( 8.944 -5.524 -2.460) 10.796 3.865 ( -2.665 14.531 3.106) 15.096 5.241 ( -1.802 -22.723 4.097) 23.159 7.046 ( 2.262 -1.856 0.550) 2.977 8.111 ( -1.633 -8.802 -22.267) 23.999 8.259 ( 3.851 -2.034 1.581) 4.634 10.101 ( -0.830 -0.244 21.803) 21.820 18.670 ( -0.816 -2.399 3.579) 4.385 18.992 ( -0.215 9.315 -12.081) 15.256 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 6.059 -1.976 -1.245) 6.494 1.438 ( 7.634 -4.251 2.802) 9.177 2.031 ( 1.587 -3.881 -10.086) 10.923 3.479 ( 10.059 -9.573 -1.297) 13.947 3.961 ( -3.961 13.380 3.945) 14.501 5.000 ( 1.037 -23.252 3.662) 23.561 7.088 ( 4.115 -2.247 2.653) 5.387 7.893 ( -4.000 -9.807 -19.984) 22.618 8.321 ( 5.403 -3.073 0.232) 6.220 10.176 ( 0.310 1.833 20.303) 20.388 18.644 ( -0.990 -1.934 3.696) 4.287 19.033 ( -0.815 9.462 -13.915) 16.847 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 8.482 -1.935 -4.999) 10.034 1.534 ( 6.720 -4.023 4.240) 8.906 1.981 ( 2.887 -5.355 -13.540) 14.844 3.463 ( 2.191 -16.752 2.125) 17.028 3.999 ( -7.918 10.296 4.444) 13.728 4.918 ( 13.063 -16.713 2.384) 21.345 7.155 ( 4.738 -3.314 5.099) 7.709 7.648 ( -5.406 -8.742 -16.093) 19.095 8.374 ( 4.870 -4.373 -1.077) 6.633 10.290 ( 1.794 4.063 15.873) 16.483 18.626 ( -0.781 -1.163 3.782) 4.033 19.054 ( -1.267 8.051 -14.632) 16.748 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 0.000 -3.712 1.527) 4.014 1.240 ( 0.000 -5.734 0.772) 5.786 2.008 ( -0.000 -3.416 -9.590) 10.181 3.233 ( -0.000 -5.918 -2.674) 6.494 4.057 ( 0.000 15.961 2.494) 16.155 5.012 ( 0.000 -28.162 4.498) 28.519 7.008 ( 0.000 -1.879 0.586) 1.968 7.959 ( -0.000 -9.142 -21.396) 23.267 8.210 ( 0.000 -1.977 1.339) 2.388 10.177 ( 0.000 -1.442 24.203) 24.246 18.661 ( 0.000 -3.044 3.582) 4.701 19.054 ( -0.000 11.376 -15.032) 18.852 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 3.152 -4.948 -2.724) 6.468 1.252 ( 7.533 -6.752 1.884) 10.290 1.935 ( 0.405 -4.327 -11.989) 12.753 3.223 ( 6.763 -8.037 -2.111) 10.714 4.193 ( -3.190 14.805 2.418) 15.337 4.732 ( 0.435 -29.332 4.422) 29.666 7.015 ( 2.482 -2.002 1.942) 3.734 7.777 ( -1.823 -9.538 -19.465) 21.752 8.220 ( 2.962 -2.524 0.520) 3.926 10.253 ( 0.398 -0.724 24.327) 24.341 18.640 ( -0.156 -2.762 2.936) 4.034 19.105 ( -1.114 11.566 -16.827) 20.449 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 7.404 -5.395 -7.277) 11.700 1.348 ( 9.659 -7.081 3.272) 12.416 1.850 ( 0.757 -5.586 -14.223) 15.299 3.234 ( 5.360 -13.790 1.466) 14.868 4.268 ( -5.208 13.192 2.359) 14.378 4.523 ( 7.394 -24.763 3.241) 26.046 7.063 ( 4.121 -2.473 4.008) 6.258 7.575 ( -3.066 -9.006 -15.954) 18.575 8.252 ( 3.912 -3.581 -0.618) 5.339 10.352 ( 1.535 1.249 20.884) 20.977 18.623 ( 0.130 -2.384 2.551) 3.494 19.125 ( -2.447 10.283 -17.469) 20.418 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -0.000 -7.361 -4.403) 8.578 1.097 ( 0.000 -8.946 0.546) 8.962 1.839 ( -0.000 -5.500 -13.334) 14.424 3.083 ( -0.000 -6.623 -3.119) 7.320 4.299 ( 0.000 -12.930 7.184) 14.792 4.506 ( -0.000 -5.216 -0.465) 5.237 6.981 ( 0.000 -1.728 2.125) 2.739 7.631 ( -0.000 -9.656 -17.583) 20.060 8.172 ( 0.000 -2.332 -0.005) 2.332 10.324 ( 0.000 -1.821 26.777) 26.839 18.621 ( 0.000 -2.370 0.666) 2.462 19.174 ( -0.000 11.833 -18.073) 21.602 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 3.650 -8.395 -8.834) 12.722 1.095 ( 9.364 -10.129 1.649) 13.893 1.729 ( 0.302 -7.378 -13.991) 15.820 3.042 ( 3.541 -8.245 -1.535) 9.104 4.092 ( 5.301 -30.773 8.408) 32.339 4.549 ( -4.605 13.499 -2.510) 14.482 6.996 ( 2.489 -1.736 3.295) 4.479 7.466 ( -1.208 -9.210 -14.593) 17.299 8.165 ( 2.061 -2.816 -0.724) 3.563 10.410 ( 1.102 -1.102 25.523) 25.571 18.599 ( 0.173 -1.977 -1.675) 2.597 19.210 ( -1.881 10.704 -17.714) 20.782 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -0.000 -10.434 -10.042) 14.482 0.888 ( 0.000 -12.254 0.898) 12.287 1.586 ( -0.000 -10.892 -13.443) 17.302 2.936 ( -0.000 -5.337 -3.810) 6.558 3.754 ( 0.000 -31.956 10.521) 33.643 4.717 ( -0.000 13.506 -4.282) 14.168 6.970 ( 0.000 -1.309 3.309) 3.558 7.336 ( -0.000 -8.913 -12.124) 15.048 8.118 ( -0.000 -2.473 -1.241) 2.767 10.476 ( 0.000 -2.141 27.749) 27.831 18.567 ( -0.000 -1.132 -7.302) 7.390 19.272 ( -0.000 9.770 -15.799) 18.575 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.169 ( 0.000 -0.000 8.426) 8.426 0.169 ( 0.000 -0.000 8.426) 8.426 1.125 ( 0.000 -0.000 52.188) 52.188 2.621 ( -0.000 0.000 -12.391) 12.391 2.621 ( -0.000 0.000 -12.391) 12.391 5.861 ( -0.000 0.000 -9.836) 9.836 6.917 ( -0.000 0.000 -3.409) 3.409 6.917 ( -0.000 0.000 -3.409) 3.409 8.068 ( 0.000 -0.000 4.808) 4.808 8.068 ( 0.000 -0.000 4.808) 4.808 19.468 ( -0.000 0.000 -1.553) 1.553 21.378 ( 0.000 -0.000 1.504) 1.504 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 14.087 8.133 7.744) 18.015 0.581 ( 19.120 11.039 6.791) 23.099 1.364 ( 5.266 3.040 47.977) 48.361 2.516 ( -1.819 -1.050 -16.018) 16.155 2.776 ( 13.569 7.834 -13.868) 20.925 5.431 ( -19.728 -11.390 6.562) 23.707 6.941 ( 1.741 1.005 -3.204) 3.783 7.050 ( 5.902 3.408 2.461) 7.246 8.085 ( 0.454 0.262 5.031) 5.058 8.835 ( 45.044 26.006 -45.378) 69.025 19.289 ( -14.754 -8.518 1.869) 17.138 20.652 ( -40.444 -23.350 47.351) 66.506 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 14.683 8.477 10.253) 19.813 0.960 ( 11.235 6.487 10.987) 17.001 1.672 ( 7.016 4.051 38.487) 39.331 2.429 ( -0.337 -0.195 -18.436) 18.440 3.159 ( 23.488 13.561 -12.350) 29.801 5.057 ( -15.426 -8.906 3.388) 18.132 6.970 ( 1.644 0.949 -3.052) 3.594 7.200 ( 5.549 3.204 8.898) 10.965 8.127 ( 1.656 0.956 4.822) 5.187 9.500 ( 27.548 15.905 -48.330) 57.859 18.928 ( -14.785 -8.536 7.963) 18.838 20.150 ( -20.032 -11.566 41.823) 47.793 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 12.766 7.370 12.993) 19.649 1.212 ( 7.933 4.580 8.708) 12.639 1.934 ( 5.098 2.943 31.389) 31.936 2.380 ( 2.023 1.168 -19.493) 19.632 3.754 ( 29.867 17.244 -9.232) 35.702 4.700 ( -15.908 -9.185 -1.081) 18.401 6.993 ( 1.092 0.630 -2.603) 2.892 7.368 ( 5.511 3.182 12.492) 14.019 8.195 ( 2.845 1.643 4.006) 5.181 9.852 ( 16.933 9.776 -37.659) 42.432 18.702 ( -6.976 -4.028 5.655) 9.842 19.886 ( -14.719 -8.498 30.193) 34.648 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 6.431 3.713 2.450) 7.819 1.478 ( 8.133 4.695 12.766) 15.848 2.148 ( 4.928 2.845 26.833) 27.430 2.402 ( 5.732 3.309 -17.147) 18.380 4.281 ( -11.814 -6.821 -8.466) 16.055 4.458 ( 24.740 14.284 -3.151) 28.741 7.002 ( 0.411 0.237 -1.692) 1.757 7.535 ( 4.597 2.654 14.401) 15.348 8.282 ( 3.542 2.045 2.542) 4.815 10.059 ( 11.153 6.439 -27.680) 30.530 18.618 ( -2.152 -1.243 2.606) 3.601 19.658 ( -12.661 -7.310 21.267) 25.807 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 4.867 2.810 -2.562) 6.176 1.636 ( 2.650 1.530 6.773) 7.432 2.360 ( 6.131 3.540 20.599) 21.782 2.531 ( 8.984 5.187 -8.936) 13.692 3.870 ( -17.223 -9.944 -7.909) 21.402 5.075 ( 25.277 14.594 -4.394) 29.516 7.001 ( -0.104 -0.060 -0.488) 0.503 7.675 ( 2.903 1.676 14.733) 15.110 8.370 ( 3.356 1.938 0.623) 3.925 10.191 ( 7.532 4.349 -19.440) 21.297 18.597 ( -0.526 -0.304 1.005) 1.175 19.451 ( -10.229 -5.906 13.414) 17.873 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 3.343 1.930 -5.023) 6.335 1.668 ( -0.448 -0.258 -0.090) 0.525 2.561 ( 5.737 3.312 9.872) 11.889 2.729 ( 8.733 5.042 0.186) 10.086 3.463 ( -14.693 -8.483 -5.631) 17.876 5.562 ( 17.361 10.024 -3.710) 20.388 6.997 ( -0.285 -0.165 0.671) 0.748 7.767 ( 0.562 0.324 13.772) 13.787 8.435 ( 2.188 1.263 -1.420) 2.898 10.281 ( 5.306 3.063 -12.810) 14.199 18.589 ( -0.466 -0.269 0.551) 0.771 19.281 ( -7.426 -4.288 6.266) 10.620 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -1.896 -1.094 -4.165) 4.705 1.652 ( 1.998 1.154 -6.481) 6.879 2.595 ( -5.725 -3.305 -7.825) 10.244 2.915 ( 5.975 3.450 6.452) 9.446 3.255 ( -0.531 -0.306 5.499) 5.533 5.837 ( 7.032 4.060 -3.207) 8.731 6.995 ( -0.137 -0.079 1.482) 1.490 7.794 ( -2.121 -1.224 12.375) 12.615 8.457 ( 0.319 0.184 -3.205) 3.226 10.355 ( 4.255 2.457 -8.032) 9.415 18.583 ( -0.043 -0.025 0.744) 0.746 19.145 ( -5.357 -3.093 0.265) 6.191 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -3.024 -1.746 -5.987) 6.931 1.654 ( 0.426 0.246 -9.510) 9.523 2.300 ( -14.000 -8.083 -10.225) 19.128 3.042 ( 2.379 1.374 10.148) 10.513 3.425 ( 10.644 6.145 6.477) 13.893 5.856 ( -4.539 -2.621 -3.152) 6.116 7.001 ( 0.145 0.083 1.724) 1.732 7.759 ( -4.343 -2.508 11.690) 12.720 8.427 ( -1.661 -0.959 -4.331) 4.737 10.425 ( 3.842 2.218 -5.606) 7.149 18.603 ( 1.523 0.879 1.755) 2.484 19.026 ( -4.427 -2.556 -4.309) 6.686 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -4.421 -2.553 -6.252) 8.071 1.576 ( -4.170 -2.407 -18.584) 19.198 1.965 ( -11.805 -6.815 1.760) 13.744 3.096 ( -1.001 -0.578 11.669) 11.726 3.731 ( 13.665 7.890 3.262) 16.113 5.606 ( -15.701 -9.065 -3.639) 18.491 7.011 ( 0.230 0.133 1.228) 1.256 7.683 ( -5.639 -3.256 12.029) 13.679 8.355 ( -3.081 -1.779 -4.422) 5.675 10.491 ( 3.388 1.956 -5.751) 6.956 18.670 ( 3.165 1.827 4.929) 6.136 18.909 ( -3.577 -2.065 -8.229) 9.207 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -6.278 -3.625 -5.273) 8.964 1.310 ( -11.397 -6.580 -19.892) 23.851 1.796 ( -5.645 -3.259 9.735) 11.715 3.083 ( -3.421 -1.975 11.062) 11.746 4.066 ( 14.185 8.190 1.382) 16.438 5.120 ( -24.281 -14.019 -4.554) 28.405 7.016 ( -0.126 -0.072 -0.062) 0.158 7.585 ( -6.520 -3.764 12.665) 14.734 8.262 ( -3.500 -2.021 -3.270) 5.199 10.537 ( 2.627 1.516 -8.464) 8.991 18.723 ( -3.022 -1.745 4.845) 5.971 18.865 ( 4.870 2.812 -5.476) 7.849 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -12.213 -7.051 -8.396) 16.413 1.117 ( -8.468 -4.889 -3.315) 10.325 1.711 ( -5.552 -3.206 10.629) 12.413 3.022 ( -4.553 -2.629 8.341) 9.860 4.354 ( 0.642 0.370 -2.857) 2.951 4.514 ( -16.091 -9.290 -2.157) 18.705 7.002 ( -0.772 -0.446 -1.827) 2.032 7.469 ( -7.331 -4.233 12.816) 15.359 8.177 ( -2.995 -1.729 -1.124) 3.637 10.546 ( 1.367 0.789 -14.595) 14.680 18.627 ( -4.300 -2.483 0.120) 4.967 19.037 ( 8.216 4.743 6.654) 11.588 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( 0.000 13.720 6.254) 15.078 0.667 ( 0.000 23.247 10.593) 25.547 1.542 ( 0.000 6.392 47.230) 47.661 2.570 ( -0.000 8.870 -19.012) 20.979 2.620 ( -0.000 5.663 -13.436) 14.580 5.461 ( 0.000 -19.915 2.109) 20.027 6.873 ( -0.000 -0.305 -3.692) 3.705 7.128 ( 0.000 12.890 2.066) 13.054 8.119 ( 0.000 0.846 5.010) 5.081 8.657 ( -0.000 42.273 -35.080) 54.933 19.294 ( 0.000 -15.539 0.958) 15.568 20.796 ( 0.000 -41.723 36.964) 55.742 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 13.781 11.379 7.636) 19.435 0.957 ( 4.793 13.504 14.526) 20.405 1.792 ( 2.319 6.944 39.861) 40.528 2.472 ( -6.859 8.989 -17.823) 21.107 2.890 ( 18.108 14.870 -14.758) 27.691 5.184 ( -10.310 -14.397 1.427) 17.766 6.899 ( 3.683 -0.511 -3.129) 4.860 7.271 ( -0.054 12.069 7.836) 14.390 8.142 ( 0.159 1.278 4.844) 5.012 9.109 ( 20.271 27.206 -43.782) 55.389 19.046 ( -8.912 -15.301 5.043) 18.411 20.424 ( -13.719 -24.967 38.885) 48.204 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 13.750 8.652 9.155) 18.647 1.190 ( 5.018 6.543 15.162) 17.259 2.010 ( 2.565 3.254 29.415) 29.705 2.415 ( -4.893 12.668 -16.591) 21.440 3.416 ( 25.748 20.375 -10.597) 34.502 4.843 ( -13.163 -12.717 -1.494) 18.363 6.949 ( 3.166 0.208 -2.743) 4.194 7.426 ( 0.685 10.403 12.589) 16.346 8.190 ( 1.657 1.849 4.311) 4.975 9.514 ( 18.732 14.849 -40.170) 46.744 18.792 ( -7.491 -8.604 5.789) 12.793 20.117 ( -12.744 -16.243 31.123) 37.348 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 6.435 2.677 5.284) 8.746 1.428 ( 8.624 5.440 14.502) 17.728 2.160 ( 3.523 0.468 17.823) 18.174 2.458 ( -2.600 18.452 -9.259) 20.808 4.066 ( 27.258 18.748 -8.321) 34.114 4.467 ( -13.540 -11.373 -3.475) 18.021 6.991 ( 1.645 1.443 -2.282) 3.161 7.585 ( 1.093 7.814 15.715) 17.585 8.264 ( 2.620 2.633 3.041) 4.800 9.792 ( 14.955 8.105 -32.196) 36.413 18.657 ( -3.477 -3.422 3.737) 6.145 19.851 ( -11.856 -13.113 22.764) 28.822 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 4.941 1.285 0.310) 5.115 1.616 ( 4.219 1.064 8.316) 9.386 2.297 ( 6.103 0.545 12.150) 13.607 2.621 ( -0.628 22.171 -1.921) 22.263 4.017 ( -15.313 -12.073 -8.171) 21.143 4.753 ( 26.586 15.978 -3.937) 31.267 7.020 ( 0.025 2.695 -1.463) 3.066 7.723 ( 0.721 4.736 17.148) 17.805 8.349 ( 2.679 3.333 1.148) 4.427 9.986 ( 11.744 4.101 -24.066) 27.091 18.609 ( -1.074 -1.149 1.904) 2.470 19.601 ( -10.454 -10.789 15.075) 21.283 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 3.978 0.102 -3.945) 5.603 1.671 ( 0.430 -0.056 1.312) 1.382 2.461 ( 7.489 -0.190 9.218) 11.878 2.843 ( -0.565 23.075 1.309) 23.119 3.603 ( -14.839 -10.899 -6.614) 19.563 5.305 ( 21.928 10.701 -3.784) 24.692 7.037 ( -1.305 3.806 -0.465) 4.050 7.819 ( -0.368 1.522 17.080) 17.152 8.424 ( 1.645 3.645 -0.981) 4.118 10.124 ( 9.299 1.531 -16.902) 19.352 18.594 ( -0.427 -0.773 0.995) 1.331 19.381 ( -8.233 -8.216 8.010) 14.122 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 2.342 -1.917 -6.683) 7.336 1.666 ( -0.999 1.440 -2.814) 3.315 2.566 ( 2.049 -2.925 -1.448) 3.854 3.044 ( -3.378 20.057 2.486) 20.491 3.302 ( -5.986 -4.996 2.631) 8.229 5.683 ( 13.737 4.202 -3.738) 14.844 7.049 ( -2.171 4.667 0.362) 5.160 7.858 ( -1.955 -1.458 16.207) 16.389 8.466 ( -0.303 3.344 -2.906) 4.440 10.229 ( 7.702 0.047 -11.342) 13.710 18.583 ( -0.138 -0.830 0.861) 1.204 19.205 ( -6.030 -5.808 1.959) 8.598 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -0.298 -3.274 -7.882) 8.540 1.652 ( -1.282 2.491 -6.376) 6.965 2.408 ( -10.378 -6.378 -9.524) 15.462 3.153 ( -1.742 11.194 7.144) 13.393 3.359 ( 4.886 7.071 7.128) 11.166 5.828 ( 3.267 -2.634 -3.928) 5.748 7.059 ( -2.574 5.081 0.699) 5.739 7.838 ( -3.558 -3.679 15.550) 16.371 8.458 ( -2.523 2.472 -4.203) 5.490 10.318 ( 6.725 -0.551 -8.109) 10.550 18.588 ( 1.167 -0.185 1.382) 1.818 19.061 ( -4.803 -4.204 -2.455) 6.839 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -2.540 -4.080 -8.848) 10.069 1.607 ( -3.979 2.705 -11.342) 12.321 2.113 ( -12.151 -5.514 -2.062) 13.502 3.243 ( -4.600 10.036 9.380) 14.487 3.589 ( 10.950 6.804 3.671) 13.404 5.711 ( -8.187 -8.947 -4.296) 12.866 7.065 ( -2.689 4.805 0.333) 5.516 7.776 ( -4.657 -4.841 15.615) 16.998 8.402 ( -4.220 1.452 -4.488) 6.330 10.394 ( 5.786 -0.579 -7.687) 9.639 18.640 ( 3.563 1.210 3.027) 4.829 18.930 ( -4.516 -3.365 -5.099) 7.598 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -5.767 -5.429 -10.252) 12.955 1.475 ( -9.425 3.487 -12.431) 15.985 1.907 ( -7.420 -3.471 8.267) 11.638 3.251 ( -8.202 7.382 9.154) 14.337 3.887 ( 14.432 6.068 1.010) 15.688 5.344 ( -18.687 -13.486 -4.741) 23.528 7.061 ( -2.755 3.765 -0.752) 4.725 7.692 ( -5.458 -5.307 15.925) 17.651 8.317 ( -4.876 0.773 -3.557) 6.085 10.449 ( 4.434 -0.278 -10.095) 11.029 18.760 ( 5.035 2.567 8.366) 10.096 18.801 ( -3.293 -2.682 -8.025) 9.079 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -9.429 -4.301 -5.463) 11.715 1.293 ( -11.584 3.552 -6.161) 13.593 1.811 ( -5.042 -2.729 11.382) 12.745 3.177 ( -9.595 3.644 6.568) 12.186 4.206 ( 14.776 5.063 -0.086) 15.620 4.784 ( -25.867 -14.813 -5.200) 30.258 7.037 ( -2.851 2.328 -2.198) 4.287 7.590 ( -6.422 -5.565 15.724) 17.873 8.232 ( -4.469 0.538 -1.595) 4.775 10.465 ( 2.361 0.176 -15.547) 15.726 18.677 ( -4.386 -2.065 -3.213) 5.816 18.957 ( 8.853 3.599 10.095) 13.901 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 0.000 13.342 7.312) 15.215 1.103 ( 0.000 9.205 18.546) 20.705 1.967 ( 0.000 4.760 32.017) 32.369 2.665 ( -0.000 8.522 -14.087) 16.465 2.796 ( -0.000 28.154 -14.581) 31.706 5.116 ( -0.000 -16.364 -0.963) 16.392 6.858 ( -0.000 1.209 -2.810) 3.059 7.444 ( 0.000 14.336 10.308) 17.657 8.165 ( 0.000 0.526 4.154) 4.187 9.070 ( -0.000 27.040 -41.597) 49.613 18.974 ( 0.000 -15.916 5.023) 16.689 20.396 ( 0.000 -26.286 34.017) 42.990 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 10.812 10.062 7.874) 16.737 1.248 ( 1.896 3.475 18.641) 19.057 2.097 ( 0.663 1.434 21.551) 21.609 2.634 ( -6.398 15.658 -12.639) 21.115 3.246 ( 16.188 29.605 -8.166) 34.716 4.876 ( -7.508 -15.716 -3.035) 17.680 6.892 ( 2.745 1.502 -2.176) 3.811 7.616 ( -1.842 14.345 13.801) 19.991 8.195 ( 1.230 0.901 3.906) 4.193 9.272 ( 11.155 18.485 -39.700) 45.191 18.813 ( -3.826 -10.809 5.158) 12.573 20.199 ( -6.479 -21.709 28.581) 36.471 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 8.346 4.099 6.300) 11.232 1.392 ( 5.823 1.689 15.928) 17.043 2.181 ( 1.235 0.620 13.946) 14.015 2.700 ( -3.048 21.107 -8.271) 22.873 3.830 ( 20.297 25.411 -5.571) 32.996 4.542 ( -11.048 -14.094 -4.658) 18.504 6.956 ( 3.160 1.967 -1.722) 4.101 7.764 ( -2.809 12.577 16.403) 20.859 8.256 ( 2.523 2.044 3.567) 4.824 9.511 ( 13.730 10.752 -34.571) 38.721 18.686 ( -3.093 -5.221 3.930) 7.230 19.952 ( -8.633 -18.314 22.134) 29.998 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 4.296 -0.156 3.174) 5.344 1.567 ( 5.901 0.378 9.365) 11.076 2.269 ( 3.168 0.830 11.471) 11.930 2.885 ( -0.872 25.871 -4.248) 26.232 4.089 ( -9.753 -11.926 -8.728) 17.707 4.496 ( 19.033 17.694 -2.047) 26.068 7.023 ( 2.298 2.952 -1.502) 4.031 7.883 ( -3.448 9.608 18.272) 20.930 8.343 ( 2.865 3.438 2.271) 5.019 9.717 ( 13.204 5.179 -27.673) 31.096 18.623 ( -1.483 -1.999 2.365) 3.433 19.693 ( -8.898 -15.410 15.503) 23.601 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 3.723 -1.344 -1.680) 4.300 1.655 ( 2.199 -0.416 3.320) 4.004 2.386 ( 5.148 -0.028 9.528) 10.830 3.137 ( -1.242 28.507 -0.884) 28.548 3.709 ( -13.457 -12.430 -7.488) 19.791 5.019 ( 21.447 12.378 -3.004) 24.944 7.083 ( 0.924 4.216 -1.422) 4.544 7.961 ( -4.415 6.061 19.423) 20.820 8.433 ( 2.146 4.600 0.193) 5.080 9.882 ( 11.875 1.141 -20.668) 23.864 18.598 ( -0.713 -1.070 1.317) 1.841 19.450 ( -7.775 -12.117 9.094) 17.028 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 2.773 -2.137 -5.645) 6.642 1.678 ( 0.189 0.527 -0.379) 0.676 2.490 ( 4.054 -1.533 2.616) 5.063 3.359 ( -11.022 -1.274 -5.688) 12.469 3.391 ( -3.003 20.884 4.778) 21.633 5.435 ( 17.287 4.458 -3.652) 18.222 7.130 ( -0.532 5.429 -1.529) 5.666 7.985 ( -5.577 2.404 19.789) 20.700 8.502 ( 0.275 5.003 -1.907) 5.361 10.013 ( 10.649 -1.495 -14.654) 18.176 18.580 ( -0.462 -1.202 0.999) 1.630 19.248 ( -5.984 -8.635 3.376) 11.035 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 1.044 -2.558 -7.899) 8.368 1.678 ( -0.767 1.616 -2.920) 3.424 2.459 ( -4.539 -3.850 -6.420) 8.754 3.212 ( 0.292 -2.138 4.018) 4.561 3.585 ( -6.356 25.203 4.711) 26.415 5.669 ( 9.773 -2.899 -4.221) 11.034 7.162 ( -1.857 6.220 -1.929) 6.772 7.956 ( -6.460 -0.921 19.749) 20.799 8.524 ( -2.258 4.412 -3.411) 6.017 10.125 ( 9.665 -2.599 -10.538) 14.533 18.571 ( 0.503 -1.000 1.240) 1.670 19.089 ( -4.642 -5.739 -0.854) 7.431 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -1.258 -2.364 -8.651) 9.056 1.659 ( -2.156 2.396 -5.739) 6.582 2.254 ( -10.374 -3.706 -4.355) 11.846 3.317 ( 7.974 1.996 4.744) 9.491 3.704 ( -8.096 20.463 5.064) 22.581 5.679 ( -0.152 -8.832 -4.538) 9.931 7.175 ( -2.978 6.245 -2.637) 7.404 7.886 ( -6.614 -3.632 19.602) 21.004 8.490 ( -4.470 3.335 -3.856) 6.781 10.225 ( 8.515 -2.358 -8.997) 12.610 18.597 ( 2.781 -0.045 1.866) 3.349 18.958 ( -4.271 -3.691 -2.802) 6.302 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -4.251 -1.413 -7.662) 8.876 1.601 ( -5.137 3.381 -8.480) 10.475 2.045 ( -9.197 -2.431 4.335) 10.454 3.482 ( 1.128 6.292 4.788) 7.987 3.785 ( -0.210 11.460 1.917) 11.621 5.458 ( -10.917 -12.196 -4.487) 16.972 7.163 ( -3.871 5.360 -3.486) 7.474 7.795 ( -6.147 -5.670 19.111) 20.861 8.416 ( -5.674 2.508 -3.078) 6.925 10.307 ( 6.780 -1.230 -10.188) 12.300 18.681 ( 5.468 0.407 1.049) 5.583 18.848 ( -4.086 -1.452 -0.210) 4.341 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -7.321 0.816 -2.655) 7.831 1.491 ( -8.522 4.369 -7.397) 12.100 1.920 ( -6.053 -1.973 10.790) 12.528 3.452 ( -12.396 5.955 3.828) 14.275 3.989 ( 13.297 3.959 -1.338) 13.938 5.043 ( -20.480 -11.479 -4.195) 23.850 7.123 ( -4.385 3.804 -4.090) 7.101 7.692 ( -5.858 -6.938 17.914) 20.085 8.330 ( -5.764 2.076 -1.375) 6.278 10.358 ( 4.221 0.343 -14.038) 14.663 18.698 ( -1.750 -2.241 -6.528) 7.120 18.893 ( 6.128 3.203 12.503) 14.287 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 0.000 9.662 7.922) 12.494 1.310 ( 0.000 -0.688 18.124) 18.137 2.166 ( 0.000 0.189 16.292) 16.293 2.767 ( -0.000 11.365 -13.874) 17.935 3.450 ( -0.000 38.546 -2.575) 38.632 4.762 ( -0.000 -16.700 -4.689) 17.346 6.881 ( -0.000 2.491 -1.664) 2.996 7.842 ( 0.000 15.299 16.840) 22.752 8.197 ( 0.000 0.124 3.135) 3.137 9.224 ( -0.000 17.333 -38.338) 42.074 18.758 ( 0.000 -8.938 4.532) 10.022 20.120 ( 0.000 -22.675 24.646) 33.489 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 7.178 5.844 7.110) 11.671 1.369 ( 2.559 -2.716 15.391) 15.837 2.217 ( 0.371 -0.377 12.810) 12.821 2.857 ( 1.773 14.998 -12.047) 19.319 3.880 ( 6.595 31.966 -1.514) 32.675 4.530 ( -5.748 -13.598 -5.573) 15.780 6.924 ( 2.263 2.733 -1.123) 3.722 8.021 ( -3.564 13.952 17.820) 22.911 8.238 ( 2.795 1.094 4.140) 5.114 9.319 ( 7.325 12.943 -35.211) 38.223 18.685 ( -1.443 -5.168 3.545) 6.431 19.936 ( -4.100 -21.240 19.968) 29.440 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 3.429 -0.950 5.331) 6.409 1.485 ( 6.962 -0.757 10.106) 12.295 2.269 ( 1.624 -0.673 10.968) 11.108 3.063 ( 5.564 20.188 -8.858) 22.737 4.074 ( -4.977 -8.985 -7.011) 12.436 4.473 ( 5.636 20.558 -1.086) 21.345 6.998 ( 3.123 2.879 -0.746) 4.312 8.132 ( -4.454 11.031 15.996) 19.934 8.335 ( 2.982 3.562 6.262) 7.797 9.468 ( 10.329 7.730 -29.809) 32.481 18.635 ( -1.287 -2.196 2.309) 3.436 19.705 ( -6.016 -18.687 14.807) 24.590 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 2.923 -2.989 1.381) 4.403 1.607 ( 4.362 -0.671 4.936) 6.621 2.339 ( 3.363 -1.340 9.174) 9.862 3.374 ( 5.886 24.644 -4.461) 25.727 3.763 ( -10.436 -13.102 -7.811) 18.482 4.850 ( 12.205 17.147 -1.299) 21.087 7.080 ( 2.911 3.187 -0.763) 4.383 8.204 ( -5.541 8.913 16.690) 19.716 8.445 ( 2.271 5.064 4.439) 7.107 9.615 ( 11.094 2.606 -23.364) 25.995 18.607 ( -0.993 -0.996 1.310) 1.922 19.468 ( -6.181 -15.178 9.503) 18.944 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 2.859 -3.004 -2.958) 5.094 1.665 ( 1.781 -0.161 1.554) 2.369 2.415 ( 3.987 -1.931 4.781) 6.518 3.431 ( -9.860 -10.362 -3.266) 14.672 3.712 ( 1.838 28.320 -2.512) 28.491 5.192 ( 13.636 6.438 -2.520) 15.288 7.155 ( 2.095 3.610 -1.281) 4.366 8.228 ( -7.865 6.451 18.314) 20.950 8.541 ( 1.038 5.865 1.031) 6.045 9.744 ( 11.339 -1.467 -17.237) 20.684 18.584 ( -0.946 -1.071 0.899) 1.689 19.260 ( -5.160 -11.031 4.496) 12.981 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 2.041 -2.222 -5.743) 6.488 1.686 ( 0.375 0.636 -0.653) 0.985 2.447 ( 0.550 -2.160 -1.983) 2.983 3.210 ( -4.194 -6.080 1.097) 7.467 3.983 ( -4.321 28.846 1.392) 29.201 5.424 ( 11.980 -3.146 -3.638) 12.909 7.214 ( 0.930 4.053 -2.271) 4.738 8.186 ( -9.874 3.063 19.110) 21.727 8.596 ( -1.385 5.449 -1.492) 5.817 9.866 ( 11.508 -3.244 -12.370) 17.204 18.562 ( -0.409 -1.267 1.010) 1.671 19.099 ( -3.954 -7.035 0.562) 8.090 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 0.420 -0.780 -6.391) 6.452 1.688 ( -0.707 1.321 -2.553) 2.960 2.361 ( -6.413 -1.614 -4.261) 7.867 3.194 ( 5.829 -2.367 3.486) 7.192 4.136 ( -10.678 25.527 3.083) 27.842 5.512 ( 6.742 -9.286 -4.184) 12.214 7.250 ( -0.542 4.478 -3.565) 5.749 8.082 ( -10.487 -1.426 19.048) 21.790 8.590 ( -3.891 4.247 -2.352) 6.222 9.994 ( 10.934 -2.566 -9.606) 14.779 18.561 ( 1.340 -0.931 1.216) 2.035 18.981 ( -3.356 -3.750 -1.251) 5.186 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -1.796 1.314 -4.831) 5.319 1.668 ( -2.225 2.055 -4.536) 5.454 2.201 ( -9.038 -0.382 0.808) 9.082 3.350 ( 11.624 -0.632 1.611) 11.752 4.138 ( -15.148 17.535 2.415) 23.298 5.442 ( -1.777 -10.204 -3.855) 11.052 7.257 ( -2.389 4.774 -4.892) 7.241 7.935 ( -9.113 -6.274 18.458) 21.520 8.537 ( -5.590 3.333 -1.644) 6.712 10.122 ( 9.188 -0.574 -9.329) 13.107 18.601 ( 3.652 -0.805 0.495) 3.773 18.900 ( -2.881 -0.696 0.465) 3.000 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -4.175 3.936 -0.900) 5.808 1.617 ( -4.489 3.014 -5.727) 7.877 2.065 ( -7.920 0.070 7.888) 11.179 3.551 ( 9.020 -0.323 0.456) 9.038 3.996 ( -12.424 5.369 -1.390) 13.606 5.229 ( -11.875 -5.313 -2.896) 13.328 7.226 ( -4.368 4.303 -5.704) 8.374 7.781 ( -6.518 -9.415 17.601) 20.998 8.459 ( -6.340 2.737 -0.255) 6.910 10.230 ( 6.417 1.663 -11.439) 13.221 18.646 ( 2.506 -1.884 -3.457) 4.668 18.900 ( 1.260 2.658 8.087) 8.605 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 0.000 5.315 7.176) 8.930 1.356 ( 0.000 -5.243 13.542) 14.521 2.247 ( 0.000 -1.447 11.309) 11.401 2.920 ( -0.000 12.767 -12.756) 18.048 4.105 ( -0.000 14.607 -2.264) 14.781 4.478 ( -0.000 3.902 -4.167) 5.709 6.931 ( -0.000 3.160 -0.763) 3.250 8.217 ( 0.000 -0.044 2.541) 2.541 8.272 ( 0.000 13.367 21.074) 24.956 9.270 ( -0.000 13.321 -33.636) 36.177 18.664 ( 0.000 -3.464 2.787) 4.446 19.818 ( 0.000 -21.598 16.916) 27.434 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 1.705 -0.765 6.583) 6.843 1.390 ( 5.705 -2.672 10.116) 11.917 2.271 ( 0.748 -2.145 9.799) 10.059 3.069 ( 7.096 14.052 -11.303) 19.380 4.027 ( -4.131 -13.006 -6.258) 15.013 4.670 ( 0.557 27.460 -0.434) 27.469 6.979 ( 2.023 3.079 -0.393) 3.705 8.243 ( 1.763 1.263 2.877) 3.603 8.452 ( -1.678 10.332 19.640) 22.256 9.330 ( 4.342 11.394 -28.743) 31.223 18.640 ( -0.666 -1.549 1.805) 2.470 19.634 ( -2.757 -19.933 13.288) 24.114 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 1.578 -4.660 4.502) 6.669 1.524 ( 6.427 -0.735 5.971) 8.804 2.303 ( 2.045 -2.645 8.331) 8.977 3.374 ( 13.721 16.495 -8.419) 23.048 3.760 ( -7.529 -13.309 -6.424) 16.585 4.944 ( 1.176 22.318 -0.157) 22.350 7.053 ( 3.042 2.744 -0.101) 4.098 8.321 ( 3.089 2.830 3.307) 5.337 8.565 ( -2.912 8.290 15.894) 18.161 9.426 ( 5.731 7.106 -21.979) 23.799 18.621 ( -0.980 -0.541 0.893) 1.432 19.428 ( -3.961 -16.722 9.320) 19.550 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 2.414 -4.144 0.808) 4.864 1.621 ( 3.753 -0.613 3.070) 4.887 2.347 ( 3.193 -2.785 5.813) 7.193 3.477 ( -8.637 -10.049 -4.385) 13.957 3.794 ( 15.303 19.476 -5.388) 25.348 5.143 ( 1.633 12.346 -0.533) 12.465 7.134 ( 3.130 2.413 -0.146) 3.955 8.407 ( 0.442 3.645 5.445) 6.567 8.638 ( -2.711 7.251 10.219) 12.820 9.513 ( 6.822 1.972 -15.704) 17.235 18.598 ( -1.304 -0.566 0.405) 1.478 19.237 ( -3.793 -12.442 5.312) 14.051 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 2.666 -2.238 -2.056) 4.042 1.671 ( 1.775 -0.095 0.992) 2.036 2.392 ( 2.978 -2.131 1.895) 4.123 3.243 ( -6.826 -6.393 -1.730) 9.511 4.225 ( 9.816 23.215 -1.603) 25.256 5.243 ( 3.003 0.268 -1.432) 3.338 7.207 ( 2.606 2.300 -0.670) 3.540 8.420 ( -5.679 2.105 8.927) 10.788 8.687 ( -2.349 5.914 3.670) 7.346 9.608 ( 9.212 -0.854 -10.604) 14.072 18.568 ( -1.287 -0.981 0.438) 1.676 19.088 ( -2.919 -7.849 1.837) 8.573 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 2.014 0.313 -3.098) 3.709 1.693 ( 0.504 0.451 -0.561) 0.879 2.404 ( -0.705 -0.452 -1.601) 1.807 3.122 ( -0.574 -3.710 1.209) 3.944 4.545 ( -3.002 25.551 1.448) 25.768 5.260 ( 6.897 -10.727 -2.851) 13.067 7.265 ( 1.655 2.640 -1.639) 3.521 8.309 ( -10.349 -2.696 10.306) 14.852 8.695 ( -3.375 4.056 0.610) 5.312 9.750 ( 10.953 0.114 -7.415) 13.228 18.544 ( -0.258 -1.106 0.591) 1.280 18.989 ( -2.175 -3.744 -0.119) 4.332 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 0.636 2.869 -2.235) 3.692 1.695 ( -0.592 0.984 -1.932) 2.248 2.344 ( -5.971 1.658 -0.571) 6.223 3.161 ( 7.707 -2.503 1.026) 8.169 4.586 ( -16.191 13.929 1.592) 21.417 5.287 ( 7.950 -7.375 -2.839) 11.209 7.305 ( 0.145 3.608 -3.055) 4.729 8.094 ( -11.140 -8.949 10.935) 17.993 8.660 ( -4.751 2.879 0.518) 5.579 9.927 ( 10.284 2.477 -6.682) 12.512 18.546 ( 1.600 -1.068 0.279) 1.944 18.935 ( -1.592 -0.342 0.406) 1.678 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -0.967 5.021 -0.023) 5.113 1.678 ( -1.900 1.644 -3.126) 4.011 2.246 ( -8.207 2.955 4.458) 9.796 3.321 ( 12.635 -2.358 -1.077) 12.898 4.310 ( -19.659 -3.915 -1.302) 20.087 5.328 ( -1.494 3.542 -1.621) 4.172 7.314 ( -2.552 4.568 -5.170) 7.357 7.849 ( -8.048 -13.180 13.087) 20.242 8.594 ( -5.862 2.035 1.029) 6.290 10.098 ( 7.898 4.391 -7.986) 12.060 18.573 ( 2.668 -1.279 -1.026) 3.132 18.937 ( 0.135 2.270 3.991) 4.593 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 0.000 -7.376 10.160) 12.555 1.322 ( 0.000 2.051 5.871) 6.219 2.270 ( 0.000 -3.068 8.546) 9.081 3.087 ( -0.000 11.869 -11.218) 16.332 3.902 ( -0.000 -14.180 -6.186) 15.470 4.949 ( -0.000 26.944 -0.083) 26.944 6.991 ( -0.000 3.041 -0.336) 3.059 8.233 ( 0.000 -0.063 2.535) 2.536 8.618 ( 0.000 6.694 14.325) 15.812 9.340 ( -0.000 14.214 -20.943) 25.311 18.640 ( 0.000 -0.569 1.003) 1.153 19.502 ( 0.000 -19.085 11.172) 22.114 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -0.162 -6.371 7.506) 9.847 1.423 ( 6.207 -0.338 5.894) 8.566 2.273 ( 0.998 -3.454 7.480) 8.300 3.255 ( 10.227 11.506 -9.840) 18.270 3.712 ( -3.927 -12.006 -5.555) 13.800 5.185 ( -1.633 21.845 0.274) 21.908 7.036 ( 1.871 2.563 -0.159) 3.177 8.276 ( 3.666 0.456 2.577) 4.504 8.696 ( -0.216 3.353 5.373) 6.337 9.429 ( -0.332 13.066 -10.270) 16.623 18.635 ( -0.623 0.071 0.145) 0.644 19.340 ( -1.734 -16.453 8.610) 18.650 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 1.429 -5.127 5.049) 7.337 1.543 ( 5.700 -0.891 4.235) 7.157 2.290 ( 2.155 -3.403 6.123) 7.329 3.495 ( -5.498 -7.774 -5.958) 11.232 3.606 ( 18.293 11.046 -5.725) 22.123 5.323 ( -4.127 14.806 0.755) 15.389 7.101 ( 2.942 1.877 0.212) 3.497 8.379 ( 5.456 1.303 2.479) 6.133 8.729 ( 0.727 1.248 -1.530) 2.105 9.498 ( -2.179 9.288 -2.387) 9.834 18.619 ( -1.282 0.094 -0.435) 1.357 19.182 ( -2.259 -12.531 5.747) 13.970 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 2.658 -2.461 2.646) 4.485 1.627 ( 3.573 -0.700 2.424) 4.374 2.323 ( 3.153 -2.813 4.048) 5.852 3.301 ( -6.962 -4.458 -3.348) 8.919 4.077 ( 23.018 11.622 -3.863) 26.073 5.338 ( -7.134 6.803 1.146) 9.924 7.173 ( 3.192 1.378 0.516) 3.515 8.474 ( 1.977 0.725 1.949) 2.870 8.739 ( 1.722 -0.853 -5.320) 5.656 9.540 ( -1.182 6.381 2.215) 6.858 18.589 ( -1.792 -0.288 -0.474) 1.876 19.057 ( -1.804 -7.988 2.861) 8.675 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 3.106 0.722 0.863) 3.304 1.675 ( 1.856 -0.261 1.000) 2.124 2.368 ( 3.260 -1.444 1.548) 3.887 3.151 ( -5.554 -1.625 -1.341) 5.940 4.581 ( 21.684 11.576 -1.755) 24.643 5.215 ( -10.644 -1.442 1.189) 10.807 7.242 ( 2.914 1.445 0.485) 3.289 8.428 ( -5.714 -4.727 -0.594) 7.440 8.742 ( 1.395 -1.133 -2.813) 3.338 9.631 ( 3.647 6.446 2.554) 7.834 18.552 ( -1.580 -0.584 -0.166) 1.692 18.980 ( -1.027 -3.681 0.660) 3.879 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 2.589 3.316 0.066) 4.207 1.697 ( 0.634 0.200 -0.085) 0.670 2.408 ( 0.862 1.006 0.001) 1.325 3.078 ( -0.791 -0.772 0.023) 1.106 4.943 ( -11.703 -13.079 0.170) 17.552 5.030 ( 13.414 15.215 -0.151) 20.285 7.308 ( 2.253 2.397 -0.072) 3.290 8.197 ( -10.037 -11.689 0.062) 15.407 8.734 ( -1.121 -0.502 -0.001) 1.228 9.805 ( 7.042 7.568 -0.008) 10.337 18.528 ( -0.402 -0.550 -0.001) 0.681 18.950 ( -0.347 -0.287 0.001) 0.450 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 1.527 4.789 0.092) 5.028 1.702 ( -0.399 0.717 -0.961) 1.264 2.410 ( -3.792 3.947 1.618) 5.708 3.114 ( 6.493 -1.780 -0.769) 6.776 4.531 ( -17.231 -17.371 -0.634) 24.476 5.353 ( 6.943 12.699 -0.487) 14.481 7.365 ( 0.495 4.259 -2.107) 4.777 7.885 ( -9.379 -16.141 4.846) 19.287 8.691 ( -3.356 -0.563 0.788) 3.493 10.005 ( 7.035 8.002 -3.027) 11.076 18.529 ( 1.074 -0.394 -0.196) 1.161 18.962 ( 0.578 1.900 1.222) 2.332 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 0.000 -7.414 9.841) 12.321 1.379 ( 0.000 0.071 4.798) 4.798 2.253 ( 0.000 -3.720 6.786) 7.739 3.229 ( -0.000 9.259 -9.571) 13.317 3.619 ( -0.000 -9.208 -4.903) 10.432 5.405 ( 0.000 17.635 0.935) 17.660 7.041 ( -0.000 2.132 -0.502) 2.191 8.251 ( 0.000 -0.190 3.010) 3.016 8.704 ( -0.000 -0.013 -6.342) 6.342 9.567 ( 0.000 13.621 1.647) 13.720 18.643 ( -0.000 0.546 -0.720) 0.904 19.225 ( 0.000 -14.502 7.385) 16.274 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 0.229 -5.622 9.271) 10.844 1.447 ( 5.386 -0.985 4.605) 7.154 2.247 ( 1.064 -3.633 5.911) 7.019 3.384 ( 10.903 7.224 -8.743) 15.732 3.505 ( -2.242 -4.603 -3.327) 6.106 5.533 ( -3.137 11.872 1.834) 12.416 7.075 ( 1.878 1.408 -0.384) 2.378 8.300 ( 4.471 -0.080 3.088) 5.434 8.670 ( 1.201 -2.001 -12.954) 13.163 9.680 ( -3.473 10.836 8.063) 13.946 18.639 ( -0.819 0.749 -1.387) 1.776 19.108 ( -0.904 -11.320 5.640) 12.680 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 1.909 -2.800 7.500) 8.230 1.549 ( 5.421 -1.291 3.708) 6.693 2.259 ( 2.246 -3.394 4.448) 6.029 3.368 ( -5.254 -1.079 -3.981) 6.680 3.744 ( 21.375 6.135 -4.550) 22.699 5.543 ( -6.842 5.714 2.647) 9.299 7.130 ( 3.121 0.713 0.443) 3.232 8.410 ( 6.059 -0.083 2.744) 6.652 8.614 ( 2.401 -4.720 -17.177) 17.975 9.725 ( -5.829 8.439 11.647) 15.519 18.619 ( -1.725 0.685 -1.470) 2.368 19.013 ( -0.844 -7.455 3.375) 8.227 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 3.370 0.236 4.963) 6.004 1.628 ( 3.636 -1.009 2.559) 4.560 2.289 ( 3.629 -3.074 2.415) 5.334 3.258 ( -6.675 2.322 -2.296) 7.431 4.200 ( 25.744 2.809 -2.610) 26.028 5.431 ( -10.557 0.790 3.070) 11.023 7.198 ( 3.625 0.451 1.536) 3.963 8.427 ( -2.508 -5.960 -8.154) 10.407 8.601 ( 7.853 -3.774 -7.646) 11.592 9.756 ( -4.243 8.390 11.965) 15.217 18.584 ( -2.299 0.489 -0.890) 2.514 18.956 ( -0.127 -3.541 0.920) 3.660 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 3.889 2.577 2.220) 5.167 1.676 ( 2.025 -0.540 1.647) 2.666 2.341 ( 4.997 -2.539 0.144) 5.607 3.170 ( -6.723 4.492 -0.622) 8.109 4.600 ( 19.573 -8.211 -1.136) 21.256 5.258 ( -9.428 3.726 2.680) 10.486 7.276 ( 3.729 0.968 2.329) 4.501 8.207 ( -7.148 -12.484 -10.170) 17.618 8.673 ( 4.999 -2.946 -2.061) 6.157 9.848 ( 0.314 9.698 8.200) 12.704 18.549 ( -1.986 0.498 -0.188) 2.056 18.942 ( 0.653 -0.405 -0.826) 1.128 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 0.000 -5.113 12.318) 13.336 1.398 ( 0.000 -1.226 4.088) 4.268 2.221 ( 0.000 -3.651 5.050) 6.232 3.320 ( -0.000 5.774 -7.993) 9.860 3.484 ( -0.000 -1.183 -3.089) 3.308 5.664 ( 0.000 6.637 2.957) 7.266 7.066 ( -0.000 0.784 -1.070) 1.326 8.266 ( 0.000 -0.627 3.661) 3.715 8.578 ( -0.000 -3.349 -17.649) 17.964 9.848 ( 0.000 8.567 12.102) 14.827 18.651 ( -0.000 1.368 -2.114) 2.518 19.030 ( 0.000 -9.159 4.817) 10.349 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 0.611 -3.235 11.704) 12.158 1.449 ( 5.226 -1.876 4.210) 6.968 2.208 ( 1.070 -3.742 3.350) 5.135 3.410 ( 2.673 3.040 -6.348) 7.529 3.501 ( 6.790 3.829 -2.320) 8.133 5.682 ( -3.684 0.699 3.837) 5.365 7.086 ( 2.170 0.114 -0.668) 2.274 8.313 ( 4.619 -0.954 3.367) 5.795 8.475 ( 0.448 -5.134 -20.335) 20.977 9.934 ( -3.658 6.315 14.268) 16.027 18.650 ( -1.099 1.826 -2.181) 3.049 18.963 ( -0.188 -6.390 3.076) 7.095 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 2.593 -1.160 8.576) 9.034 1.544 ( 5.597 -1.961 4.064) 7.189 2.206 ( 2.366 -4.105 0.956) 4.834 3.399 ( -4.906 6.143 -2.561) 8.268 3.790 ( 20.899 1.188 -2.807) 21.121 5.580 ( -6.975 -4.607 4.174) 9.343 7.138 ( 3.777 -0.375 1.041) 3.936 8.337 ( -0.830 -7.866 -20.849) 22.299 8.417 ( 7.284 -1.670 1.697) 7.663 9.966 ( -5.018 5.915 14.898) 16.796 18.633 ( -2.271 1.803 -1.221) 3.146 18.922 ( 0.405 -3.196 0.358) 3.241 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 4.297 0.566 4.342) 6.135 1.623 ( 3.980 -1.530 3.609) 5.586 2.216 ( 4.185 -4.791 -1.767) 6.602 3.362 ( -7.149 8.711 -0.699) 11.291 4.157 ( 21.938 -5.546 -1.121) 22.656 5.402 ( -7.223 -6.267 3.661) 10.240 7.215 ( 4.648 -0.433 3.246) 5.685 8.131 ( -3.985 -11.193 -18.357) 21.867 8.527 ( 7.055 -2.841 0.015) 7.606 10.006 ( -3.186 7.435 12.722) 15.076 18.602 ( -2.834 1.585 0.162) 3.251 18.915 ( 1.236 -0.341 -2.401) 2.722 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 0.000 -3.540 14.130) 14.567 1.388 ( 0.000 -2.481 3.582) 4.358 2.167 ( 0.000 -4.071 1.073) 4.210 3.346 ( -0.000 1.868 -6.892) 7.141 3.534 ( -0.000 7.481 -0.831) 7.527 5.705 ( 0.000 -5.512 4.657) 7.216 7.060 ( -0.000 -0.383 -1.419) 1.469 8.274 ( 0.000 -1.400 4.015) 4.252 8.343 ( -0.000 -5.901 -21.709) 22.496 10.070 ( 0.000 4.078 15.576) 16.101 18.676 ( -0.000 2.740 -2.098) 3.451 18.916 ( 0.000 -4.752 1.583) 5.009 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 0.820 -3.169 11.580) 12.034 1.430 ( 5.719 -3.121 4.512) 7.925 2.131 ( 0.989 -4.598 -1.880) 5.065 3.416 ( 8.235 0.456 -6.302) 10.379 3.621 ( 0.616 9.862 0.521) 9.895 5.605 ( -3.324 -11.499 4.915) 12.939 7.074 ( 2.693 -0.814 -0.400) 2.841 8.193 ( -0.699 -7.130 -22.190) 23.318 8.311 ( 4.141 -2.146 3.463) 5.809 10.136 ( -2.734 3.305 16.240) 16.797 18.686 ( -1.482 2.552 -0.429) 2.983 18.884 ( 0.484 -2.077 -1.683) 2.717 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 3.372 -2.487 6.458) 7.698 1.527 ( 6.360 -3.086 5.458) 8.931 2.096 ( 2.185 -5.464 -4.992) 7.717 3.525 ( 1.598 4.995 -3.363) 6.230 3.793 ( 11.480 2.907 0.343) 11.847 5.410 ( -4.594 -15.316 4.484) 16.607 7.133 ( 4.733 -1.225 2.337) 5.419 8.010 ( -2.267 -9.021 -21.409) 23.343 8.387 ( 5.886 -2.967 2.289) 6.978 10.173 ( -3.218 4.393 15.138) 16.088 18.673 ( -2.650 1.503 2.094) 3.697 18.881 ( 1.202 0.976 -5.685) 5.892 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 0.000 -5.174 13.570) 14.523 1.345 ( 0.000 -4.184 3.207) 5.272 2.063 ( -0.000 -4.934 -5.109) 7.102 3.297 ( -0.000 -1.924 -6.665) 6.937 3.756 ( 0.000 13.938 0.743) 13.957 5.502 ( 0.000 -18.097 5.247) 18.842 7.036 ( -0.000 -0.956 -0.945) 1.344 8.052 ( -0.000 -7.595 -21.489) 22.792 8.264 ( 0.000 -2.311 3.657) 4.326 10.243 ( 0.000 1.964 17.190) 17.302 18.724 ( 0.000 0.805 2.989) 3.096 18.859 ( -0.000 1.453 -6.570) 6.728 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 0.854 -5.984 8.870) 10.734 1.383 ( 7.006 -5.132 5.597) 10.332 1.994 ( 0.679 -5.405 -8.120) 9.778 3.332 ( 9.398 -4.122 -6.226) 12.003 3.887 ( -2.215 15.050 1.062) 15.249 5.290 ( -2.047 -22.927 5.118) 23.580 7.053 ( 3.200 -1.222 0.701) 3.497 7.885 ( -1.573 -8.188 -20.323) 21.967 8.283 ( 3.500 -3.000 2.883) 5.437 10.306 ( -1.702 2.274 16.875) 17.112 18.721 ( -1.041 -2.196 6.066) 6.535 18.869 ( 0.165 5.819 -11.067) 12.504 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 0.000 -9.342 11.373) 14.719 1.260 ( 0.000 -6.639 3.062) 7.311 1.903 ( -0.000 -5.384 -10.254) 11.582 3.180 ( -0.000 -4.619 -7.285) 8.625 4.072 ( 0.000 16.191 0.357) 16.195 5.065 ( 0.000 -28.238 5.507) 28.770 7.014 ( 0.000 -1.015 0.364) 1.078 7.749 ( -0.000 -8.386 -18.183) 20.024 8.231 ( 0.000 -3.069 2.543) 3.986 10.399 ( 0.000 1.548 17.475) 17.543 18.709 ( 0.000 -4.746 5.165) 7.015 18.910 ( -0.000 9.174 -11.428) 14.655 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.261 ( 0.000 -0.000 9.126) 9.126 0.261 ( 0.000 -0.000 9.126) 9.126 1.661 ( 0.000 -0.000 49.650) 49.650 2.465 ( -0.000 0.000 -17.026) 17.026 2.465 ( -0.000 0.000 -17.026) 17.026 5.734 ( -0.000 0.000 -14.189) 14.189 6.878 ( -0.000 0.000 -3.789) 3.789 6.878 ( -0.000 0.000 -3.789) 3.789 8.124 ( 0.000 -0.000 5.585) 5.585 8.124 ( 0.000 -0.000 5.585) 5.585 19.450 ( -0.000 0.000 -1.851) 1.851 21.396 ( 0.000 -0.000 1.807) 1.807 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 14.640 8.452 9.487) 19.385 0.661 ( 20.342 11.745 8.765) 25.071 1.863 ( 2.578 1.489 46.178) 46.274 2.330 ( -2.377 -1.372 -19.109) 19.306 2.610 ( 14.086 8.133 -17.441) 23.849 5.435 ( -15.752 -9.094 -4.928) 18.844 6.902 ( 1.857 1.072 -3.950) 4.494 7.059 ( 10.899 6.293 -0.727) 12.607 8.142 ( 0.313 0.181 5.646) 5.658 8.508 ( 27.686 15.985 -19.612) 37.505 19.297 ( -11.849 -6.841 0.209) 13.683 21.005 ( -27.085 -15.637 22.916) 38.772 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 15.840 9.145 12.660) 22.244 1.072 ( 11.632 6.716 10.946) 17.327 2.079 ( 2.903 1.676 37.152) 37.303 2.224 ( -0.658 -0.380 -20.290) 20.304 3.017 ( 25.579 14.768 -13.771) 32.588 5.059 ( -15.708 -9.069 -3.150) 18.410 6.933 ( 1.906 1.100 -3.842) 4.428 7.296 ( 8.376 4.836 8.863) 13.118 8.179 ( 1.277 0.738 5.025) 5.237 9.058 ( 26.293 15.180 -35.496) 46.709 18.989 ( -13.358 -7.712 4.332) 16.021 20.529 ( -21.557 -12.446 29.748) 38.789 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 5.865 3.386 8.660) 10.994 1.334 ( 13.138 7.586 15.764) 21.878 2.169 ( 2.512 1.450 -20.399) 20.604 2.255 ( 2.555 1.475 28.295) 28.448 3.655 ( 31.200 18.013 -8.846) 37.097 4.670 ( -16.540 -9.549 -4.705) 19.670 6.961 ( 1.568 0.905 -3.166) 3.647 7.513 ( 6.698 3.867 14.788) 16.689 8.236 ( 2.227 1.286 3.632) 4.450 9.470 ( 20.007 11.551 -34.385) 41.425 18.757 ( -7.800 -4.503 4.712) 10.164 20.175 ( -17.715 -10.228 24.133) 31.636 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 3.698 2.135 3.621) 5.598 1.610 ( 5.443 3.143 11.685) 13.268 2.236 ( 9.126 5.269 -13.541) 17.158 2.404 ( 2.906 1.678 21.142) 21.407 4.182 ( -7.357 -4.247 -9.382) 12.656 4.427 ( 20.327 11.736 -2.939) 23.655 6.983 ( 1.038 0.599 -1.930) 2.271 7.704 ( 4.701 2.714 17.538) 18.359 8.304 ( 2.765 1.596 1.604) 3.573 9.763 ( 14.918 8.613 -28.070) 32.934 18.648 ( -3.127 -1.806 3.131) 4.780 19.860 ( -15.562 -8.985 16.797) 24.598 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 2.840 1.640 -1.374) 3.556 1.679 ( -0.285 -0.165 0.881) 0.941 2.478 ( 12.518 7.227 -0.428) 14.461 2.536 ( 3.152 1.820 12.408) 12.931 3.790 ( -16.757 -9.675 -6.843) 20.524 5.032 ( 25.369 14.647 -3.656) 29.520 6.997 ( 0.520 0.300 -0.424) 0.735 7.849 ( 2.248 1.298 18.119) 18.304 8.369 ( 2.554 1.474 -0.720) 3.035 9.977 ( 11.034 6.371 -20.955) 24.525 18.612 ( -1.092 -0.631 1.741) 2.150 19.574 ( -12.942 -7.472 9.671) 17.800 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 2.171 1.253 -5.503) 6.047 1.644 ( -1.781 -1.028 -4.266) 4.736 2.611 ( 0.306 0.177 -0.636) 0.728 2.765 ( 10.629 6.137 6.592) 13.931 3.430 ( -11.521 -6.652 -0.311) 13.307 5.523 ( 17.446 10.072 -3.726) 20.487 7.005 ( 0.183 0.106 0.962) 0.985 7.932 ( -0.493 -0.285 17.575) 17.585 8.412 ( 1.505 0.869 -2.913) 3.392 10.136 ( 8.140 4.700 -14.759) 17.498 18.598 ( -0.637 -0.368 1.109) 1.331 19.332 ( -9.803 -5.659 3.368) 11.809 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 1.010 0.583 -9.596) 9.667 1.576 ( -2.404 -1.388 -5.902) 6.522 2.491 ( -8.502 -4.909 -10.869) 14.646 3.001 ( 7.011 4.048 9.657) 12.602 3.323 ( 1.385 0.800 6.846) 7.030 5.798 ( 7.106 4.103 -4.206) 9.220 7.013 ( 0.064 0.037 1.875) 1.876 7.950 ( -3.131 -1.808 17.060) 17.439 8.415 ( -0.102 -0.059 -4.530) 4.531 10.256 ( 6.106 3.525 -10.682) 12.799 18.594 ( 0.107 0.062 1.257) 1.263 19.139 ( -7.171 -4.140 -1.412) 8.400 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -3.109 -1.795 -5.925) 6.928 1.521 ( -1.612 -0.931 -15.249) 15.362 2.220 ( -10.716 -6.187 -5.120) 13.391 3.153 ( 2.894 1.671 10.566) 11.082 3.482 ( 9.333 5.388 4.379) 11.632 5.813 ( -4.493 -2.594 -4.825) 7.085 7.021 ( 0.006 0.004 2.026) 2.026 7.913 ( -5.063 -2.923 17.280) 18.242 8.376 ( -1.693 -0.977 -5.149) 5.507 10.345 ( 4.563 2.635 -9.642) 10.988 18.624 ( 2.229 1.287 2.332) 3.473 18.981 ( -5.744 -3.316 -4.100) 7.797 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -6.002 -3.465 -18.787) 20.024 1.388 ( -4.188 -2.418 -4.919) 6.898 2.007 ( -7.276 -4.201 5.234) 9.899 3.210 ( -0.992 -0.573 9.769) 9.835 3.754 ( 12.846 7.417 1.172) 14.879 5.558 ( -15.713 -9.072 -5.249) 18.887 7.025 ( -0.269 -0.155 1.235) 1.273 7.842 ( -6.236 -3.601 17.915) 19.308 8.307 ( -2.644 -1.526 -4.469) 5.412 10.397 ( 3.091 1.785 -11.929) 12.451 18.722 ( 5.275 3.046 3.958) 7.264 18.840 ( -5.117 -2.955 -3.751) 6.999 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 0.000 13.099 8.652) 15.699 0.785 ( 0.000 26.900 12.026) 29.466 2.025 ( 0.000 2.246 42.722) 42.781 2.365 ( -0.000 8.613 -18.507) 20.413 2.453 ( -0.000 6.784 -17.989) 19.226 5.426 ( -0.000 -15.099 -8.031) 17.102 6.837 ( -0.000 -0.095 -3.039) 3.040 7.123 ( -0.000 18.956 -2.735) 19.152 8.172 ( 0.000 0.463 4.941) 4.962 8.414 ( -0.000 22.884 -13.438) 26.538 19.298 ( 0.000 -12.907 0.054) 12.907 21.074 ( 0.000 -27.628 18.256) 33.115 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 14.917 10.853 10.057) 21.011 1.112 ( 3.973 17.056 15.378) 23.306 2.157 ( 0.051 0.044 16.356) 16.357 2.306 ( -6.435 10.881 -3.173) 13.033 2.736 ( 19.296 17.322 -12.368) 28.729 5.158 ( -9.649 -13.449 -6.156) 17.660 6.868 ( 3.514 -0.042 -2.834) 4.515 7.337 ( 2.485 16.669 4.491) 17.441 8.193 ( 0.308 0.765 4.724) 4.796 8.739 ( 16.522 20.211 -27.091) 37.622 19.086 ( -7.728 -13.291 2.854) 15.637 20.754 ( -12.450 -22.741 24.326) 35.551 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 13.752 6.208 10.789) 18.549 1.355 ( 3.909 8.768 16.203) 18.834 2.149 ( -2.178 5.998 -12.182) 13.752 2.376 ( -1.091 7.316 16.728) 18.290 3.317 ( 26.391 22.459 -6.846) 35.323 4.802 ( -13.243 -12.836 -6.243) 19.470 6.920 ( 2.975 0.856 -2.744) 4.137 7.560 ( 2.604 12.496 12.642) 17.965 8.234 ( 1.328 1.425 3.947) 4.401 9.129 ( 19.308 14.504 -32.768) 40.706 18.846 ( -7.468 -8.627 4.419) 12.236 20.400 ( -14.094 -17.691 22.601) 31.975 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 4.553 1.035 6.172) 7.739 1.580 ( 6.470 3.136 13.627) 15.408 2.187 ( 2.018 11.358 -8.752) 14.480 2.499 ( 0.065 8.546 13.085) 15.629 3.990 ( 25.702 18.412 -5.329) 32.063 4.416 ( -12.161 -10.305 -6.097) 17.066 6.967 ( 1.792 1.929 -2.213) 3.439 7.760 ( 1.919 8.634 17.470) 19.581 8.292 ( 1.849 2.287 2.312) 3.741 9.463 ( 17.633 9.720 -30.160) 36.263 18.696 ( -4.109 -4.085 3.652) 6.850 20.061 ( -13.983 -14.930 16.958) 26.571 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 2.614 -0.251 1.131) 2.859 1.678 ( 0.946 -0.604 2.675) 2.901 2.374 ( 7.006 7.249 5.161) 11.326 2.651 ( 0.206 15.634 5.136) 16.458 3.934 ( -14.746 -11.849 -7.026) 20.180 4.717 ( 26.151 16.103 -2.922) 30.850 7.005 ( 0.546 2.810 -1.246) 3.122 7.917 ( 0.525 5.097 19.487) 20.149 8.356 ( 1.709 3.024 0.073) 3.474 9.730 ( 14.943 6.084 -24.275) 29.148 18.632 ( -1.635 -1.685 2.285) 3.276 19.736 ( -12.769 -12.447 10.535) 20.712 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 2.172 -1.179 -3.942) 4.653 1.663 ( -1.608 0.352 -2.767) 3.219 2.532 ( 4.757 -1.445 4.215) 6.518 2.867 ( 0.571 21.961 2.882) 22.157 3.555 ( -12.582 -9.884 -2.147) 16.143 5.268 ( 21.715 10.665 -3.317) 24.419 7.034 ( -0.562 3.465 -0.159) 3.514 8.014 ( -1.310 1.815 19.830) 19.956 8.407 ( 0.731 3.432 -2.220) 4.152 9.939 ( 12.232 3.290 -18.061) 22.060 18.607 ( -0.689 -1.009 1.389) 1.850 19.448 ( -10.453 -9.589 4.493) 14.880 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 1.305 -2.436 -8.223) 8.675 1.624 ( -2.582 2.108 -4.917) 5.940 2.515 ( -3.338 -4.073 -7.640) 9.279 3.089 ( -0.674 17.346 6.426) 18.511 3.351 ( -2.779 -2.324 5.760) 6.805 5.641 ( 13.581 4.077 -4.099) 14.760 7.055 ( -1.391 3.846 0.672) 4.145 8.047 ( -3.169 -1.060 19.622) 19.905 8.429 ( -1.003 3.322 -3.977) 5.278 10.099 ( 9.842 1.289 -13.293) 16.590 18.594 ( -0.114 -0.814 1.263) 1.507 19.214 ( -7.833 -6.747 -0.339) 10.344 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -0.420 -3.353 -10.788) 11.305 1.577 ( -3.765 3.219 -7.484) 8.974 2.318 ( -9.071 -4.595 -7.454) 12.608 3.239 ( 0.202 9.454 8.799) 12.917 3.424 ( 3.725 6.733 5.264) 9.323 5.781 ( 3.172 -2.676 -4.901) 6.422 7.067 ( -1.920 3.808 0.927) 4.365 8.025 ( -4.626 -3.190 19.747) 20.531 8.410 ( -2.886 2.716 -4.803) 6.227 10.216 ( 7.689 0.079 -11.222) 13.604 18.605 ( 1.539 -0.005 1.878) 2.428 19.032 ( -5.973 -4.569 -3.097) 8.133 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -2.898 -3.566 -12.243) 13.077 1.497 ( -6.140 3.645 -8.576) 11.160 2.113 ( -7.804 -3.261 1.355) 8.566 3.338 ( -3.681 8.628 8.429) 12.611 3.616 ( 9.598 6.207 1.481) 11.525 5.660 ( -8.235 -8.812 -5.270) 13.163 7.069 ( -2.288 3.212 0.430) 3.967 7.967 ( -5.528 -4.518 20.219) 21.443 8.354 ( -4.144 1.994 -4.449) 6.398 10.288 ( 5.455 -0.418 -12.445) 13.594 18.670 ( 4.350 1.242 2.487) 5.162 18.888 ( -4.898 -2.864 -2.443) 6.177 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 0.000 13.051 10.066) 16.482 1.295 ( 0.000 10.876 18.171) 21.178 2.212 ( 0.000 1.116 9.126) 9.194 2.492 ( -0.000 9.975 -18.527) 21.042 2.730 ( 0.000 29.312 6.954) 30.125 5.069 ( -0.000 -15.425 -7.725) 17.251 6.834 ( -0.000 1.484 -1.836) 2.361 7.531 ( 0.000 20.289 5.702) 21.075 8.208 ( 0.000 0.069 3.847) 3.848 8.712 ( -0.000 20.024 -26.533) 33.241 19.017 ( 0.000 -14.381 3.323) 14.760 20.690 ( 0.000 -25.050 22.131) 33.426 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 10.774 9.016 10.563) 17.577 1.434 ( 1.277 3.068 16.683) 17.010 2.234 ( -2.274 4.258 2.090) 5.260 2.523 ( -1.168 11.861 -7.503) 14.083 3.209 ( 13.915 31.272 2.462) 34.317 4.816 ( -7.321 -15.416 -8.054) 18.871 6.872 ( 2.628 1.873 -1.485) 3.552 7.751 ( -1.039 18.354 11.651) 21.765 8.235 ( 1.444 0.611 3.769) 4.082 8.901 ( 10.942 16.006 -30.592) 36.219 18.861 ( -3.751 -10.672 4.034) 12.010 20.455 ( -6.930 -22.679 20.031) 31.042 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 6.920 2.423 7.999) 10.851 1.545 ( 4.523 -0.204 12.774) 13.552 2.269 ( -0.399 6.922 2.957) 7.538 2.640 ( 0.981 15.328 -3.435) 15.738 3.798 ( 18.440 25.842 -0.066) 31.746 4.475 ( -10.560 -13.515 -7.909) 18.887 6.940 ( 2.953 2.443 -1.324) 4.055 7.937 ( -1.939 13.971 16.322) 21.572 8.294 ( 1.937 2.263 3.728) 4.772 9.166 ( 15.326 11.303 -30.735) 36.157 18.726 ( -3.403 -5.849 3.580) 7.655 20.153 ( -9.904 -19.954 15.877) 27.355 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 2.169 -1.433 3.392) 4.274 1.647 ( 3.216 -1.252 5.324) 6.345 2.373 ( 3.029 3.237 9.140) 10.158 2.846 ( 1.895 23.199 -3.711) 23.570 4.007 ( -10.012 -12.073 -6.465) 16.965 4.476 ( 18.607 18.276 -1.854) 26.147 7.010 ( 2.151 3.282 -1.126) 4.082 8.079 ( -2.503 9.649 18.691) 21.183 8.366 ( 1.395 3.813 2.403) 4.718 9.431 ( 15.801 6.884 -26.439) 31.560 18.650 ( -1.890 -2.655 2.433) 4.067 19.831 ( -10.649 -16.981 10.624) 22.685 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 1.436 -2.459 -1.592) 3.262 1.673 ( 0.187 -0.245 0.156) 0.346 2.470 ( 3.273 -1.251 6.320) 7.226 3.127 ( 0.718 27.972 -1.012) 28.000 3.649 ( -11.913 -12.155 -3.593) 17.395 4.991 ( 20.777 12.393 -2.366) 24.308 7.071 ( 0.948 4.091 -0.928) 4.300 8.171 ( -3.915 5.924 20.277) 21.484 8.432 ( 0.607 4.837 -0.269) 4.882 9.663 ( 14.566 2.964 -20.646) 25.441 18.613 ( -0.943 -1.451 1.484) 2.279 19.526 ( -9.691 -13.387 5.307) 17.358 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 0.975 -2.577 -6.033) 6.632 1.663 ( -1.263 1.223 -2.288) 2.885 2.489 ( -0.082 -2.776 -2.709) 3.880 3.325 ( -6.944 4.087 -0.312) 8.063 3.447 ( -2.126 15.454 5.357) 16.494 5.398 ( 16.790 4.317 -3.489) 17.684 7.117 ( -0.312 4.647 -0.905) 4.744 8.202 ( -5.691 2.462 21.212) 22.099 8.478 ( -0.820 5.233 -2.666) 5.929 9.853 ( 12.836 -0.014 -15.603) 20.205 18.592 ( -0.444 -1.292 1.199) 1.818 19.269 ( -7.709 -9.456 0.765) 12.224 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -0.076 -2.029 -8.937) 9.164 1.639 ( -2.340 2.370 -4.198) 5.359 2.386 ( -5.862 -2.808 -7.147) 9.660 3.262 ( 1.812 -2.398 5.376) 6.159 3.638 ( -5.259 23.729 5.198) 24.855 5.622 ( 9.454 -2.935 -4.456) 10.856 7.146 ( -1.479 4.775 -1.183) 5.137 8.175 ( -6.859 -0.731 21.679) 22.750 8.485 ( -2.874 4.809 -3.822) 6.782 10.002 ( 10.882 -1.590 -12.653) 16.764 18.586 ( 0.722 -0.983 1.533) 1.959 19.073 ( -5.767 -5.896 -2.045) 8.497 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -1.850 -0.658 -9.565) 9.765 1.596 ( -3.947 3.248 -5.786) 7.720 2.221 ( -7.497 -1.709 -2.090) 7.969 3.364 ( 8.073 0.342 3.975) 9.005 3.753 ( -8.424 19.616 4.148) 21.748 5.629 ( -0.287 -8.580 -4.856) 9.863 7.152 ( -2.524 4.368 -1.733) 5.334 8.106 ( -7.085 -3.746 21.894) 23.315 8.450 ( -4.654 4.097 -3.662) 7.201 10.111 ( 8.480 -1.686 -12.485) 15.186 18.617 ( 3.031 -0.353 1.765) 3.525 18.933 ( -4.335 -2.836 -1.799) 5.484 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 0.000 8.586 10.602) 13.643 1.481 ( 0.000 -1.875 14.046) 14.171 2.301 ( 0.000 0.976 9.655) 9.705 2.598 ( -0.000 13.314 -18.006) 22.393 3.470 ( 0.000 36.634 6.209) 37.157 4.689 ( -0.000 -16.199 -9.116) 18.587 6.868 ( -0.000 2.694 -0.804) 2.812 8.010 ( 0.000 19.746 14.886) 24.729 8.230 ( 0.000 -0.205 3.015) 3.022 8.859 ( -0.000 15.147 -30.717) 34.248 18.802 ( 0.000 -9.216 3.775) 9.959 20.341 ( 0.000 -23.881 17.424) 29.562 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 6.302 4.240 9.340) 12.039 1.509 ( 2.072 -3.760 10.808) 11.629 2.336 ( -0.266 0.567 10.009) 10.028 2.715 ( 3.940 15.554 -14.917) 21.908 3.893 ( 5.354 29.976 3.952) 30.706 4.452 ( -5.341 -12.213 -9.071) 16.124 6.916 ( 2.230 2.956 -0.493) 3.735 8.184 ( -3.498 10.506 11.270) 15.799 8.306 ( 2.540 6.719 10.537) 12.753 8.970 ( 8.234 13.092 -31.087) 34.722 18.721 ( -1.573 -5.847 3.154) 6.827 20.117 ( -4.702 -22.694 14.159) 27.159 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 1.898 -1.806 5.405) 6.006 1.578 ( 5.067 -2.158 7.119) 9.001 2.382 ( 1.407 -0.981 10.638) 10.775 2.958 ( 8.322 20.552 -11.149) 24.819 4.011 ( -6.755 -11.453 -4.870) 14.161 4.460 ( 6.584 23.077 -1.214) 24.029 6.992 ( 2.975 3.147 -0.327) 4.343 8.258 ( -0.229 5.790 7.413) 9.409 8.442 ( -1.788 8.822 14.271) 16.873 9.167 ( 12.145 9.761 -26.935) 31.117 18.659 ( -1.510 -2.931 2.155) 3.939 19.837 ( -7.174 -20.056 10.135) 23.589 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 0.674 -3.654 1.276) 3.929 1.649 ( 2.570 -0.997 2.838) 3.957 2.429 ( 2.149 -2.673 7.674) 8.406 3.317 ( 8.830 25.126 -5.940) 27.287 3.698 ( -9.965 -13.163 -4.387) 17.083 4.840 ( 11.352 17.299 -0.725) 20.703 7.074 ( 2.584 3.384 -0.375) 4.274 8.342 ( -0.080 5.180 8.251) 9.743 8.522 ( -3.405 7.769 10.996) 13.887 9.379 ( 12.871 5.071 -20.749) 24.938 18.621 ( -1.120 -1.526 1.240) 2.263 19.549 ( -7.693 -16.256 5.849) 18.912 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 0.655 -3.158 -2.605) 4.146 1.674 ( 0.459 0.135 0.122) 0.493 2.449 ( 1.186 -2.778 1.510) 3.377 3.401 ( -8.111 -9.286 -1.961) 12.484 3.701 ( 4.336 27.232 0.256) 27.576 5.168 ( 12.633 6.581 -1.993) 14.383 7.144 ( 1.596 3.591 -0.769) 4.004 8.398 ( -3.279 3.680 12.199) 13.157 8.566 ( -3.332 7.192 5.131) 9.443 9.568 ( 12.752 0.779 -15.695) 20.238 18.594 ( -0.857 -1.323 0.845) 1.788 19.294 ( -6.720 -11.706 1.930) 13.635 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 0.392 -1.431 -5.395) 5.595 1.674 ( -0.791 1.138 -1.659) 2.162 2.415 ( -2.238 -1.579 -3.967) 4.820 3.230 ( -1.955 -6.229 2.749) 7.084 4.004 ( -2.811 28.062 2.674) 28.329 5.387 ( 11.215 -3.012 -3.283) 12.068 7.194 ( 0.336 3.739 -1.522) 4.051 8.378 ( -6.997 0.331 16.175) 17.626 8.586 ( -3.591 6.521 0.463) 7.459 9.733 ( 12.293 -1.305 -12.559) 17.623 18.573 ( -0.172 -1.403 1.010) 1.737 19.098 ( -5.098 -7.119 -0.802) 8.793 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -0.445 1.133 -6.157) 6.276 1.658 ( -1.952 1.952 -3.036) 4.103 2.320 ( -5.687 0.088 -3.434) 6.644 3.229 ( 5.810 -3.512 3.122) 7.473 4.170 ( -10.239 24.689 3.148) 26.913 5.469 ( 6.403 -8.957 -3.978) 11.707 7.219 ( -1.099 3.852 -2.454) 4.697 8.280 ( -8.463 -4.408 17.818) 20.212 8.572 ( -4.874 5.557 -0.656) 7.421 9.882 ( 10.815 -0.902 -11.570) 15.863 18.574 ( 1.496 -1.296 1.152) 2.290 18.968 ( -3.522 -3.007 -1.187) 4.781 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 0.000 3.785 9.404) 10.137 1.476 ( 0.000 -5.726 8.861) 10.550 2.364 ( 0.000 -2.259 11.199) 11.424 2.766 ( -0.000 14.908 -16.263) 22.062 4.096 ( 0.000 5.713 0.253) 5.718 4.423 ( -0.000 12.022 -5.845) 13.368 6.926 ( -0.000 3.231 -0.172) 3.236 8.245 ( 0.000 -0.179 2.776) 2.782 8.490 ( 0.000 13.120 19.880) 23.819 8.936 ( -0.000 15.954 -29.318) 33.377 18.692 ( 0.000 -4.251 2.446) 4.904 19.970 ( 0.000 -22.934 11.938) 25.855 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 0.876 -1.270 6.985) 7.153 1.485 ( 4.800 -3.698 7.642) 9.753 2.379 ( 0.641 -3.401 10.713) 11.258 2.934 ( 8.181 15.904 -14.124) 22.790 3.964 ( -4.347 -14.152 -5.579) 15.821 4.667 ( 0.771 28.472 -0.111) 28.483 6.977 ( 2.089 3.125 0.005) 3.759 8.273 ( 2.058 0.806 2.854) 3.610 8.627 ( -1.275 6.539 10.699) 12.604 9.070 ( 4.028 17.411 -17.561) 25.055 18.659 ( -0.745 -2.349 1.532) 2.902 19.753 ( -3.330 -21.076 9.184) 23.230 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -0.212 -4.616 4.128) 6.196 1.583 ( 5.028 -1.454 5.063) 7.282 2.393 ( 1.353 -4.009 8.711) 9.684 3.274 ( 15.673 17.567 -10.016) 25.585 3.701 ( -7.158 -12.855 -4.861) 15.496 4.946 ( 0.962 22.421 0.537) 22.448 7.054 ( 3.022 2.843 0.191) 4.153 8.352 ( 3.720 2.256 2.712) 5.126 8.681 ( -0.773 3.804 3.427) 5.178 9.253 ( 3.690 13.141 -8.156) 15.900 18.630 ( -1.009 -1.209 0.661) 1.708 19.509 ( -4.995 -17.577 6.104) 19.266 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 0.204 -3.778 1.563) 4.093 1.650 ( 2.482 -0.681 2.264) 3.428 2.405 ( 1.493 -3.546 4.952) 6.271 3.430 ( -7.119 -9.246 -4.175) 12.393 3.745 ( 17.032 19.269 -3.753) 25.990 5.142 ( 0.876 12.759 0.368) 12.795 7.134 ( 2.815 2.603 0.198) 3.840 8.447 ( 2.527 2.676 2.481) 4.439 8.710 ( -0.779 2.893 1.444) 3.326 9.399 ( 3.966 7.405 -4.541) 9.549 18.602 ( -1.146 -1.003 0.162) 1.532 19.281 ( -5.077 -12.976 3.070) 14.268 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 0.632 -1.294 -0.738) 1.619 1.679 ( 0.749 0.156 0.357) 0.844 2.406 ( 0.523 -1.833 0.693) 2.028 3.230 ( -4.958 -6.540 -0.670) 8.234 4.213 ( 11.864 22.743 -0.582) 25.658 5.232 ( 1.593 1.032 -0.516) 1.967 7.202 ( 1.916 2.592 -0.205) 3.230 8.482 ( -1.644 -0.255 2.895) 3.339 8.722 ( -2.032 2.971 2.183) 4.210 9.526 ( 6.445 3.815 -4.389) 8.681 18.572 ( -0.968 -1.244 0.188) 1.588 19.101 ( -4.050 -7.993 0.615) 8.981 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 0.694 1.869 -2.132) 2.919 1.685 ( -0.432 0.870 -0.922) 1.340 2.386 ( -2.069 0.761 -1.747) 2.813 3.136 ( 0.646 -4.578 1.428) 4.839 4.562 ( -1.771 25.269 1.795) 25.394 5.233 ( 5.593 -10.286 -2.221) 11.917 7.251 ( 0.652 2.987 -1.070) 3.240 8.396 ( -5.894 -6.489 5.725) 10.470 8.711 ( -3.743 3.208 2.546) 5.548 9.678 ( 8.660 3.692 -6.009) 11.168 18.549 ( -0.013 -1.413 0.412) 1.472 18.986 ( -2.579 -3.385 -0.424) 4.276 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 0.000 0.683 7.674) 7.704 1.400 ( 0.000 -6.818 7.218) 9.929 2.370 ( 0.000 -4.519 10.428) 11.365 2.953 ( -0.000 13.855 -14.050) 19.733 3.838 ( -0.000 -14.033 -6.050) 15.282 4.952 ( -0.000 27.202 0.560) 27.208 6.988 ( -0.000 2.924 -0.117) 2.926 8.264 ( 0.000 -0.037 3.153) 3.153 8.667 ( -0.000 1.436 -7.222) 7.363 9.226 ( 0.000 20.658 1.589) 20.719 18.650 ( 0.000 -1.392 0.713) 1.564 19.602 ( 0.000 -19.986 7.774) 21.445 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -1.474 -5.347 6.777) 8.757 1.490 ( 5.757 -1.439 6.539) 8.830 2.363 ( 0.663 -4.877 9.504) 10.703 3.139 ( 11.123 13.138 -11.884) 20.918 3.654 ( -3.594 -11.355 -5.431) 13.090 5.193 ( -1.645 22.151 1.262) 22.247 7.034 ( 2.102 2.433 -0.086) 3.217 8.307 ( 3.465 0.497 3.305) 4.815 8.648 ( 1.765 -0.396 -13.484) 13.605 9.424 ( -2.067 17.266 8.405) 19.314 18.635 ( -0.605 -0.692 -0.105) 0.925 19.417 ( -2.245 -17.102 5.974) 18.254 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -0.447 -4.118 5.915) 7.222 1.589 ( 4.619 -1.275 4.336) 6.462 2.362 ( 1.242 -4.497 7.398) 8.746 3.422 ( -0.322 -3.557 -7.448) 8.260 3.552 ( 15.247 8.467 -4.778) 18.083 5.337 ( -4.318 15.289 1.989) 16.011 7.105 ( 3.197 1.909 0.395) 3.744 8.408 ( 5.058 1.326 2.938) 5.998 8.630 ( 3.864 -2.625 -15.670) 16.351 9.549 ( -4.686 12.892 10.609) 17.341 18.613 ( -1.117 -0.492 -0.680) 1.397 19.234 ( -3.153 -12.984 3.959) 13.935 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 0.498 -1.509 4.333) 4.615 1.653 ( 2.530 -0.627 2.310) 3.483 2.369 ( 1.712 -3.345 4.577) 5.922 3.264 ( -5.835 -4.126 -3.516) 7.964 4.038 ( 24.275 11.949 -3.572) 27.292 5.357 ( -7.661 7.488 2.397) 10.978 7.181 ( 3.099 1.685 0.989) 3.664 8.480 ( 0.908 -1.063 -2.344) 2.729 8.642 ( 7.249 -3.396 -10.468) 13.178 9.611 ( -4.857 9.866 10.123) 14.946 18.582 ( -1.436 -0.608 -0.775) 1.741 19.083 ( -2.811 -8.339 1.965) 9.016 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 0.000 -5.852 9.451) 11.116 1.438 ( 0.000 -0.971 6.351) 6.424 2.339 ( 0.000 -5.325 9.630) 11.004 3.115 ( -0.000 11.034 -11.917) 16.241 3.565 ( -0.000 -8.369 -5.442) 9.982 5.422 ( 0.000 18.181 2.180) 18.311 7.035 ( -0.000 1.869 -0.718) 2.002 8.288 ( 0.000 -0.116 3.963) 3.965 8.566 ( -0.000 -1.522 -18.194) 18.258 9.651 ( 0.000 15.101 12.678) 19.718 18.635 ( -0.000 -0.227 -0.869) 0.898 19.293 ( 0.000 -15.003 5.387) 15.941 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -1.273 -4.124 10.075) 10.960 1.503 ( 5.118 -1.697 5.833) 7.944 2.323 ( 0.688 -5.404 8.440) 10.045 3.282 ( 11.036 8.306 -10.225) 17.185 3.465 ( -1.184 -3.216 -4.405) 5.581 5.560 ( -3.206 12.493 3.191) 13.287 7.069 ( 2.394 1.243 -0.593) 2.762 8.338 ( 4.166 -0.129 3.973) 5.758 8.488 ( 1.409 -3.192 -20.093) 20.393 9.801 ( -3.703 11.750 13.750) 18.461 18.624 ( -0.710 0.112 -1.450) 1.618 19.162 ( -1.348 -11.804 4.363) 12.657 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -0.110 -2.052 8.988) 9.220 1.593 ( 4.521 -1.414 4.472) 6.515 2.315 ( 1.620 -5.211 6.176) 8.241 3.319 ( -4.271 0.037 -5.194) 6.725 3.693 ( 22.086 7.008 -5.154) 23.737 5.578 ( -7.060 6.235 3.903) 10.196 7.136 ( 3.827 0.848 0.731) 3.988 8.402 ( 1.605 -5.609 -19.932) 20.768 8.447 ( 7.115 -0.594 2.102) 7.443 9.862 ( -6.409 9.265 13.646) 17.695 18.602 ( -1.410 0.402 -1.615) 2.181 19.047 ( -1.602 -8.145 2.935) 8.805 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 0.000 -3.779 13.749) 14.259 1.449 ( 0.000 -2.045 5.511) 5.878 2.287 ( 0.000 -6.169 7.600) 9.788 3.223 ( -0.000 7.274 -10.199) 12.527 3.445 ( -0.000 0.221 -4.365) 4.371 5.703 ( 0.000 7.230 4.234) 8.378 7.052 ( -0.000 0.612 -1.574) 1.689 8.311 ( 0.000 -0.693 4.779) 4.829 8.369 ( -0.000 -4.067 -21.135) 21.523 9.989 ( 0.000 9.121 13.972) 16.686 18.629 ( -0.000 0.839 -2.003) 2.171 19.078 ( 0.000 -9.837 4.175) 10.686 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -1.301 -2.858 12.873) 13.250 1.504 ( 5.294 -2.334 6.174) 8.461 2.252 ( 0.919 -6.762 5.150) 8.550 3.331 ( 5.690 4.409 -8.414) 11.073 3.470 ( 4.798 5.223 -3.559) 7.935 5.728 ( -3.808 1.082 4.875) 6.280 7.077 ( 3.056 0.171 -0.906) 3.192 8.245 ( 0.215 -5.607 -21.314) 22.040 8.361 ( 4.151 -1.226 4.137) 5.987 10.084 ( -3.702 7.005 13.662) 15.793 18.627 ( -0.885 1.700 -2.214) 2.928 18.997 ( -0.613 -7.550 3.368) 8.289 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 0.000 -3.743 16.822) 17.233 1.433 ( 0.000 -3.189 5.032) 5.957 2.184 ( 0.000 -7.742 2.185) 8.045 3.259 ( -0.000 2.987 -9.389) 9.853 3.517 ( -0.000 9.137 -2.404) 9.448 5.759 ( 0.000 -5.338 5.365) 7.568 7.042 ( -0.000 -0.179 -1.898) 1.906 8.116 ( -0.000 -6.133 -20.914) 21.794 8.322 ( 0.000 -1.782 5.044) 5.350 10.224 ( 0.000 5.148 13.260) 14.225 18.651 ( -0.000 3.133 -2.588) 4.063 18.942 ( 0.000 -6.712 3.264) 7.463 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( 0.000 -0.000 9.858) 9.858 0.361 ( 0.000 -0.000 9.858) 9.858 2.164 ( 0.000 -0.000 45.644) 45.644 2.270 ( -0.000 0.000 -19.715) 19.715 2.270 ( -0.000 0.000 -19.715) 19.715 5.566 ( -0.000 0.000 -17.581) 17.581 6.840 ( -0.000 0.000 -3.427) 3.427 6.840 ( -0.000 0.000 -3.427) 3.427 8.182 ( 0.000 -0.000 5.308) 5.308 8.182 ( 0.000 -0.000 5.308) 5.308 19.430 ( -0.000 0.000 -1.780) 1.780 21.415 ( 0.000 -0.000 1.757) 1.757 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 15.539 8.972 10.677) 20.879 0.766 ( 21.393 12.351 11.244) 27.141 2.122 ( -2.591 -1.496 -20.006) 20.228 2.290 ( 1.338 0.773 20.891) 20.949 2.449 ( 13.935 8.045 0.757) 16.108 5.342 ( -11.808 -6.817 -12.157) 18.267 6.861 ( 1.761 1.017 -3.758) 4.273 7.040 ( 14.740 8.510 -2.624) 17.221 8.200 ( 0.214 0.124 5.113) 5.119 8.376 ( 14.929 8.619 -7.095) 18.642 19.297 ( -10.166 -5.869 -0.062) 11.739 21.180 ( -18.123 -10.463 11.784) 24.016 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 17.440 10.069 14.377) 24.743 1.197 ( 11.097 6.407 12.864) 18.157 2.009 ( -0.968 -0.559 -20.167) 20.198 2.398 ( 1.834 1.059 18.720) 18.839 2.913 ( 25.896 14.951 -1.600) 29.944 4.995 ( -14.702 -8.488 -8.716) 19.083 6.893 ( 2.051 1.184 -3.683) 4.379 7.380 ( 12.915 7.457 6.849) 16.411 8.229 ( 0.872 0.503 4.197) 4.316 8.751 ( 20.625 11.908 -23.340) 33.346 19.027 ( -12.068 -6.968 2.997) 14.254 20.780 ( -19.971 -11.530 18.437) 29.525 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 3.746 2.163 9.389) 10.337 1.514 ( 13.095 7.560 18.210) 23.669 1.954 ( 3.635 2.099 -20.197) 20.629 2.500 ( 1.409 0.814 16.921) 16.999 3.589 ( 31.345 18.097 -2.567) 36.284 4.603 ( -16.215 -9.361 -7.888) 20.317 6.928 ( 1.997 1.153 -3.006) 3.789 7.673 ( 8.921 5.150 15.452) 18.571 8.269 ( 1.537 0.887 2.553) 3.109 9.137 ( 20.110 11.610 -28.885) 37.061 18.802 ( -7.973 -4.603 3.820) 9.967 20.387 ( -19.092 -11.023 16.245) 27.384 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 1.222 0.706 4.313) 4.539 1.693 ( -0.015 -0.009 2.098) 2.098 2.148 ( 15.311 8.840 -1.104) 17.714 2.578 ( 0.917 0.529 11.231) 11.281 4.102 ( -8.101 -4.677 -5.304) 10.753 4.393 ( 21.358 12.331 -3.605) 24.924 6.963 ( 1.670 0.964 -1.797) 2.636 7.900 ( 5.232 3.020 19.482) 20.397 8.315 ( 1.903 1.098 0.388) 2.231 9.475 ( 17.323 10.001 -26.490) 33.194 18.681 ( -3.741 -2.160 2.850) 5.175 20.007 ( -17.656 -10.194 10.915) 23.125 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 0.532 0.307 -0.934) 1.118 1.652 ( -1.863 -1.076 -5.543) 5.946 2.523 ( 14.549 8.400 8.560) 18.855 2.612 ( -0.240 -0.139 1.935) 1.955 3.738 ( -15.255 -8.807 -2.590) 17.804 4.999 ( 25.133 14.511 -2.655) 29.143 6.993 ( 1.193 0.689 -0.329) 1.416 8.052 ( 1.897 1.095 20.448) 20.565 8.355 ( 1.688 0.975 -1.923) 2.738 9.755 ( 13.909 8.030 -21.091) 26.510 18.631 ( -1.528 -0.882 1.730) 2.471 19.652 ( -15.066 -8.698 5.158) 18.145 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 0.111 0.064 -6.450) 6.451 1.584 ( -2.056 -1.187 -6.677) 7.086 2.558 ( -3.913 -2.259 -8.553) 9.673 2.860 ( 11.185 6.457 10.869) 16.880 3.453 ( -8.447 -4.877 4.120) 10.588 5.484 ( 17.079 9.861 -3.523) 20.033 7.016 ( 0.718 0.414 1.030) 1.322 8.133 ( -1.091 -0.630 20.291) 20.330 8.375 ( 0.821 0.474 -3.911) 4.025 9.974 ( 10.514 6.070 -15.889) 19.996 18.611 ( -0.734 -0.424 1.281) 1.536 19.351 ( -11.576 -6.683 0.209) 13.368 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -1.069 -0.617 -12.454) 12.515 1.511 ( -2.281 -1.317 -6.236) 6.769 2.380 ( -7.619 -4.399 -9.942) 13.276 3.111 ( 7.046 4.068 10.853) 13.564 3.391 ( 1.167 0.674 5.827) 5.981 5.751 ( 6.779 3.914 -4.656) 9.107 7.033 ( 0.305 0.176 1.887) 1.919 8.148 ( -3.564 -2.058 20.334) 20.746 8.364 ( -0.434 -0.251 -5.087) 5.111 10.132 ( 7.369 4.254 -12.893) 15.448 18.609 ( 0.346 0.200 1.692) 1.739 19.116 ( -8.252 -4.764 -2.968) 9.980 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 0.000 13.061 10.525) 16.774 0.921 ( 0.000 30.515 13.662) 33.433 2.111 ( -0.000 3.193 -19.829) 20.084 2.249 ( -0.000 7.217 -20.438) 21.674 2.506 ( 0.000 4.515 38.725) 38.987 5.307 ( -0.000 -11.142 -13.997) 17.890 6.809 ( -0.000 0.259 -2.170) 2.186 7.081 ( -0.000 21.636 -4.709) 22.142 8.220 ( 0.000 0.121 4.233) 4.235 8.333 ( -0.000 11.066 -3.520) 11.613 19.297 ( 0.000 -11.179 -0.075) 11.179 21.215 ( 0.000 -18.982 9.563) 21.255 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 15.820 10.812 12.119) 22.672 1.284 ( 3.180 19.512 17.214) 26.213 2.026 ( -5.186 6.797 -20.013) 21.763 2.369 ( 8.172 6.627 -9.808) 14.384 2.775 ( 10.041 13.178 23.300) 28.590 5.063 ( -8.435 -11.927 -11.338) 18.492 6.841 ( 2.926 0.584 -2.232) 3.727 7.364 ( 6.517 21.246 0.807) 22.238 8.239 ( 0.421 0.401 3.868) 3.911 8.525 ( 10.994 12.084 -14.215) 21.655 19.111 ( -6.878 -11.833 1.988) 13.830 20.952 ( -10.626 -19.399 14.063) 26.211 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 12.637 4.126 12.076) 17.960 1.531 ( 3.903 8.957 17.118) 19.710 1.966 ( -3.652 12.387 -18.768) 22.782 2.519 ( 4.034 2.768 5.697) 7.509 3.305 ( 23.079 21.845 5.566) 32.262 4.717 ( -12.557 -12.434 -9.455) 20.042 6.893 ( 2.621 1.562 -2.335) 3.842 7.687 ( 6.104 15.332 11.434) 20.077 8.271 ( 0.857 1.250 2.953) 3.319 8.828 ( 17.049 11.681 -24.470) 32.030 18.886 ( -7.218 -8.346 3.310) 11.520 20.593 ( -14.352 -17.691 14.093) 26.788 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 2.445 -0.690 6.238) 6.736 1.687 ( 1.814 -0.815 4.743) 5.144 2.113 ( 6.026 21.028 -1.710) 21.941 2.611 ( 1.344 2.510 6.144) 6.772 3.968 ( 23.663 17.594 1.458) 29.523 4.340 ( -10.663 -9.305 -8.180) 16.346 6.945 ( 1.878 2.465 -1.873) 3.620 7.950 ( 3.480 9.542 18.457) 21.067 8.312 ( 0.867 2.223 1.364) 2.749 9.163 ( 18.654 10.051 -26.764) 34.137 18.731 ( -4.444 -4.410 2.886) 6.894 20.205 ( -15.396 -15.881 10.337) 24.415 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 0.428 -1.940 0.855) 2.163 1.669 ( -1.921 0.191 -3.884) 4.337 2.448 ( 8.012 10.381 9.347) 16.103 2.683 ( 0.242 10.613 0.096) 10.616 3.881 ( -13.788 -11.628 -2.736) 18.243 4.691 ( 25.875 16.160 -1.935) 30.568 6.993 ( 1.002 3.037 -0.992) 3.348 8.130 ( 0.820 5.254 20.896) 21.562 8.351 ( 0.512 2.895 -0.784) 3.043 9.479 ( 17.280 7.549 -23.195) 29.893 18.654 ( -2.017 -2.020 1.845) 3.399 19.820 ( -14.557 -13.501 5.382) 20.570 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 0.014 -2.644 -4.550) 5.262 1.619 ( -2.930 1.781 -5.288) 6.302 2.538 ( -0.482 -3.133 -3.609) 4.803 2.915 ( 3.528 20.609 6.990) 22.046 3.559 ( -9.928 -8.726 2.527) 13.457 5.236 ( 21.203 10.369 -2.727) 23.760 7.033 ( 0.106 3.280 -0.008) 3.282 8.232 ( -1.729 1.993 21.423) 21.585 8.379 ( -0.225 3.289 -3.071) 4.505 9.747 ( 14.559 4.747 -18.147) 23.744 18.621 ( -0.825 -1.132 1.231) 1.865 19.475 ( -12.152 -10.438 0.747) 16.036 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -0.547 -2.971 -9.439) 9.910 1.566 ( -3.685 2.888 -5.995) 7.607 2.420 ( -5.472 -3.423 -9.680) 11.635 3.176 ( 1.387 15.202 9.592) 18.029 3.412 ( -1.982 -1.871 5.544) 6.178 5.598 ( 13.071 3.787 -3.965) 14.175 7.062 ( -0.693 3.193 0.728) 3.347 8.264 ( -3.739 -0.679 21.215) 21.553 8.385 ( -1.585 3.383 -4.212) 5.630 9.952 ( 11.365 2.199 -14.464) 18.526 18.609 ( 0.053 -0.731 1.443) 1.619 19.198 ( -9.027 -7.174 -2.536) 11.806 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 0.000 12.999 12.538) 18.061 1.486 ( 0.000 9.654 17.990) 20.417 2.161 ( -0.000 14.308 -13.204) 19.469 2.282 ( -0.000 10.778 -21.124) 23.715 2.931 ( 0.000 17.029 25.359) 30.547 4.963 ( -0.000 -14.025 -11.883) 18.382 6.819 ( -0.000 1.765 -0.937) 1.999 7.561 ( -0.000 26.779 0.297) 26.781 8.245 ( 0.000 -0.200 3.141) 3.147 8.506 ( -0.000 11.243 -13.158) 17.307 19.046 ( 0.000 -13.120 2.349) 13.329 20.872 ( 0.000 -22.570 13.071) 26.082 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 10.475 7.973 12.937) 18.457 1.590 ( 1.074 0.315 12.196) 12.247 2.167 ( -6.413 17.031 -11.234) 21.387 2.452 ( 7.899 7.343 -7.433) 13.098 3.301 ( 9.302 26.246 13.336) 30.875 4.714 ( -6.749 -14.781 -10.756) 19.486 6.860 ( 2.294 2.256 -0.801) 3.316 7.855 ( 1.408 23.683 7.676) 24.936 8.273 ( 1.690 0.844 3.217) 3.730 8.634 ( 8.544 10.355 -19.977) 24.068 18.898 ( -3.612 -10.302 2.883) 11.291 20.623 ( -7.034 -22.271 12.155) 26.329 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 4.609 0.539 8.307) 9.515 1.647 ( 3.013 -2.117 6.074) 7.103 2.277 ( 0.494 19.066 0.376) 19.076 2.605 ( 5.011 6.277 -4.038) 8.990 3.831 ( 15.960 24.832 5.853) 30.094 4.381 ( -9.819 -13.221 -9.457) 18.990 6.928 ( 2.630 2.931 -0.870) 4.033 8.101 ( 0.146 14.280 14.208) 20.145 8.339 ( 0.818 4.375 5.286) 6.911 8.867 ( 15.410 9.990 -25.908) 31.756 18.759 ( -3.544 -6.118 2.541) 7.513 20.285 ( -10.786 -20.543 9.316) 25.003 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 0.075 -2.682 2.383) 3.589 1.675 ( 0.493 -0.821 0.329) 1.012 2.472 ( 2.627 4.191 9.651) 10.845 2.797 ( 5.177 21.038 -5.645) 22.389 3.960 ( -10.707 -13.401 -2.432) 17.325 4.458 ( 19.147 19.579 -1.417) 27.422 7.000 ( 1.996 3.638 -0.785) 4.223 8.257 ( 0.542 6.974 12.782) 14.571 8.410 ( -2.008 6.536 8.031) 10.548 9.166 ( 17.474 8.200 -23.801) 30.644 18.672 ( -2.138 -3.037 1.643) 4.062 19.915 ( -12.037 -17.739 5.326) 22.089 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -0.785 -3.307 -2.165) 4.030 1.661 ( -1.482 0.941 -2.258) 2.861 2.509 ( -0.163 -2.653 0.429) 2.693 3.127 ( 3.470 26.806 1.876) 27.095 3.635 ( -9.763 -11.557 0.742) 15.147 4.970 ( 20.052 12.245 -1.729) 23.559 7.063 ( 0.989 4.068 -0.629) 4.233 8.359 ( 0.153 4.074 10.411) 11.181 8.451 ( -3.994 6.237 8.587) 11.340 9.453 ( 16.312 4.730 -18.866) 25.384 18.627 ( -1.034 -1.660 0.984) 2.190 19.561 ( -11.214 -13.959 1.330) 17.954 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -1.167 -2.788 -6.159) 6.861 1.632 ( -2.520 2.248 -3.639) 4.964 2.438 ( -3.373 -2.482 -6.597) 7.814 3.352 ( -3.722 2.853 5.123) 6.945 3.501 ( -1.238 15.102 4.965) 15.945 5.363 ( 16.097 4.090 -2.930) 16.865 7.110 ( -0.109 4.100 -0.578) 4.142 8.413 ( -2.243 1.813 12.869) 13.188 8.459 ( -4.601 5.796 4.824) 8.833 9.690 ( 14.082 1.283 -15.081) 20.673 18.604 ( -0.269 -1.302 1.029) 1.681 19.264 ( -8.965 -9.649 -1.754) 13.287 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 0.000 7.381 13.143) 15.074 1.595 ( 0.000 -3.372 7.173) 7.926 2.383 ( 0.000 6.304 6.930) 9.368 2.394 ( -0.000 14.960 -20.641) 25.492 3.565 ( 0.000 31.661 10.686) 33.415 4.579 ( -0.000 -15.713 -11.014) 19.189 6.863 ( -0.000 2.829 -0.036) 2.829 8.142 ( 0.000 27.290 8.734) 28.653 8.259 ( 0.000 -0.255 2.523) 2.536 8.592 ( -0.000 8.398 -18.580) 20.390 18.836 ( 0.000 -9.182 2.567) 9.534 20.487 ( 0.000 -23.879 10.470) 26.073 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 4.752 2.341 10.720) 11.958 1.590 ( 1.997 -3.908 4.651) 6.395 2.428 ( -0.661 7.430 5.963) 9.550 2.554 ( 6.331 11.823 -13.508) 19.035 3.956 ( 4.437 27.582 7.512) 28.929 4.345 ( -4.816 -11.602 -10.860) 16.605 6.914 ( 2.088 3.111 0.093) 3.748 8.252 ( -0.920 3.760 3.362) 5.127 8.464 ( 0.233 17.312 17.710) 24.767 8.668 ( 8.307 10.476 -25.989) 29.226 18.749 ( -1.633 -6.174 1.984) 6.687 20.234 ( -5.179 -23.108 8.135) 25.039 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -0.095 -2.874 4.151) 5.050 1.634 ( 3.459 -1.854 3.708) 5.399 2.491 ( 0.600 -1.593 9.614) 9.764 2.835 ( 11.818 21.488 -11.324) 27.011 3.971 ( -7.754 -14.577 -2.750) 16.738 4.450 ( 7.571 25.798 -0.673) 26.894 6.991 ( 2.767 3.379 0.038) 4.367 8.306 ( 1.765 3.283 2.609) 4.550 8.597 ( -2.780 7.446 11.286) 13.804 8.923 ( 11.847 14.710 -16.402) 25.015 18.677 ( -1.632 -3.359 1.157) 3.909 19.917 ( -8.143 -20.514 5.103) 22.653 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -1.257 -3.796 0.555) 4.037 1.668 ( 0.841 -0.404 0.817) 1.240 2.490 ( -0.294 -3.261 3.360) 4.691 3.265 ( 11.908 24.272 -3.113) 27.215 3.670 ( -8.376 -12.891 -1.225) 15.422 4.835 ( 10.579 17.547 -0.235) 20.491 7.071 ( 2.282 3.593 -0.115) 4.258 8.388 ( 2.278 3.748 1.641) 4.683 8.642 ( -3.097 5.350 8.551) 10.551 9.203 ( 11.244 9.534 -10.714) 18.224 18.631 ( -1.143 -1.842 0.497) 2.224 19.590 ( -8.942 -16.510 1.965) 18.879 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -1.506 -2.791 -2.147) 3.830 1.668 ( -0.788 0.861 -1.168) 1.652 2.444 ( -1.912 -2.201 -2.310) 3.720 3.398 ( -5.683 -9.066 1.514) 10.807 3.714 ( 6.346 25.479 2.123) 26.343 5.151 ( 11.572 6.795 -1.244) 13.477 7.138 ( 1.196 3.635 -0.458) 3.854 8.458 ( 0.939 3.187 0.850) 3.430 8.658 ( -4.665 4.765 9.749) 11.811 9.429 ( 11.180 3.915 -9.453) 15.155 18.600 ( -0.649 -1.474 0.381) 1.655 19.301 ( -7.940 -11.643 -0.633) 14.107 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 0.000 2.055 11.248) 11.434 1.538 ( 0.000 -5.052 3.104) 5.929 2.483 ( 0.000 -2.063 11.130) 11.319 2.584 ( -0.000 16.906 -18.171) 24.819 4.102 ( 0.000 -7.911 0.325) 7.918 4.364 ( -0.000 24.581 -4.795) 25.044 6.927 ( 0.000 3.161 0.379) 3.184 8.274 ( 0.000 0.019 2.565) 2.565 8.585 ( -0.000 3.834 -17.057) 17.483 8.762 ( 0.000 26.188 11.573) 28.631 18.712 ( 0.000 -4.686 1.278) 4.857 20.068 ( 0.000 -23.284 6.602) 24.202 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -1.026 -2.705 5.813) 6.493 1.552 ( 4.844 -2.485 5.475) 7.721 2.491 ( 0.034 -3.872 9.926) 10.655 2.781 ( 9.973 17.622 -14.352) 24.818 3.911 ( -4.171 -15.522 -4.371) 16.656 4.669 ( 0.986 29.567 0.356) 29.586 6.979 ( 2.124 3.034 0.360) 3.721 8.302 ( 1.888 1.080 2.503) 3.316 8.585 ( 3.366 1.682 -17.089) 17.499 9.054 ( -0.359 22.687 13.101) 26.201 18.670 ( -0.784 -2.822 0.512) 2.973 19.826 ( -3.826 -21.282 4.639) 22.115 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -1.604 -3.942 3.250) 5.354 1.629 ( 3.403 -1.275 3.708) 5.192 2.476 ( -0.361 -4.046 6.227) 7.435 3.177 ( 18.278 17.726 -7.587) 26.568 3.658 ( -6.069 -12.943 -3.280) 14.667 4.955 ( 0.767 22.845 1.133) 22.886 7.057 ( 3.019 2.895 0.408) 4.203 8.376 ( 3.290 2.576 1.749) 4.530 8.611 ( 5.419 -0.763 -14.816) 15.794 9.283 ( -1.776 17.404 11.995) 21.212 18.633 ( -0.993 -1.620 -0.119) 1.904 19.555 ( -5.867 -17.543 2.520) 18.669 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 0.000 -4.836 3.802) 6.152 1.481 ( 0.000 -0.675 8.833) 8.858 2.484 ( 0.000 -4.915 10.850) 11.912 2.798 ( -0.000 15.562 -15.109) 21.690 3.778 ( -0.000 -14.417 -5.063) 15.280 4.960 ( 0.000 27.791 1.126) 27.813 6.988 ( 0.000 2.598 0.068) 2.599 8.298 ( 0.000 0.347 3.242) 3.261 8.503 ( -0.000 1.294 -20.550) 20.590 9.339 ( 0.000 20.617 16.656) 26.504 18.653 ( -0.000 -1.882 -0.146) 1.888 19.664 ( 0.000 -19.954 3.847) 20.321 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -2.159 -3.657 5.673) 7.086 1.558 ( 4.663 -1.647 6.233) 7.956 2.465 ( -0.441 -4.993 9.261) 10.530 3.014 ( 12.933 14.095 -11.275) 22.205 3.599 ( -3.066 -11.468 -4.795) 12.803 5.211 ( -1.640 22.790 2.062) 22.942 7.034 ( 2.405 2.148 -0.048) 3.225 8.343 ( 3.144 0.935 3.435) 4.750 8.458 ( 2.683 -0.843 -20.802) 20.991 9.563 ( -2.904 16.911 16.352) 23.702 18.631 ( -0.588 -1.160 -0.697) 1.476 19.464 ( -2.672 -16.845 2.820) 17.288 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 0.000 -2.931 7.912) 8.437 1.510 ( 0.000 -1.863 7.163) 7.401 2.450 ( 0.000 -6.078 11.026) 12.591 2.985 ( -0.000 12.351 -12.513) 17.582 3.506 ( -0.000 -8.290 -5.567) 9.985 5.450 ( 0.000 18.964 3.045) 19.207 7.026 ( -0.000 1.413 -0.918) 1.685 8.332 ( 0.000 0.290 4.277) 4.286 8.353 ( -0.000 -1.560 -21.230) 21.288 9.805 ( 0.000 14.144 15.838) 21.235 18.624 ( -0.000 -0.706 -1.143) 1.343 19.337 ( 0.000 -14.612 2.806) 14.878 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 0.000 -0.000 10.090) 10.090 0.466 ( 0.000 -0.000 10.090) 10.090 2.060 ( -0.000 0.000 -19.607) 19.607 2.060 ( -0.000 0.000 -19.607) 19.607 2.613 ( 0.000 -0.000 39.304) 39.304 5.371 ( -0.000 0.000 -19.014) 19.014 6.808 ( -0.000 0.000 -2.629) 2.629 6.808 ( -0.000 0.000 -2.629) 2.629 8.233 ( 0.000 -0.000 4.266) 4.266 8.233 ( 0.000 -0.000 4.266) 4.266 19.413 ( -0.000 0.000 -1.427) 1.427 21.432 ( 0.000 -0.000 1.425) 1.425 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 16.644 9.609 10.345) 21.826 0.897 ( 23.043 13.304 13.405) 29.794 1.921 ( -2.530 -1.461 -17.580) 17.821 2.155 ( 10.853 6.266 -21.296) 24.709 2.769 ( 2.684 1.550 34.726) 34.864 5.194 ( -8.878 -5.125 -15.217) 18.348 6.825 ( 1.558 0.899 -2.960) 3.464 7.011 ( 16.448 9.496 -2.562) 19.164 8.247 ( 0.115 0.067 3.800) 3.803 8.334 ( 7.698 4.445 -1.807) 9.071 19.297 ( -8.954 -5.169 -0.051) 10.339 21.271 ( -13.151 -7.593 6.147) 16.382 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 19.671 11.357 12.991) 26.167 1.343 ( 9.694 5.597 14.821) 18.573 1.814 ( -1.712 -0.988 -15.851) 15.973 2.407 ( 13.677 7.897 -12.798) 20.328 3.041 ( 14.394 8.310 21.153) 26.902 4.887 ( -13.251 -7.651 -11.027) 18.860 6.858 ( 2.084 1.203 -2.912) 3.778 7.439 ( 18.242 10.532 4.505) 21.541 8.265 ( 0.482 0.278 2.733) 2.790 8.559 ( 13.677 7.897 -13.612) 20.849 19.053 ( -11.075 -6.394 2.055) 12.952 20.927 ( -18.145 -10.476 10.091) 23.255 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 1.382 0.798 9.186) 9.324 1.706 ( 3.619 2.090 10.828) 11.606 1.757 ( 14.210 8.204 -9.781) 19.102 2.595 ( 4.114 2.375 1.374) 4.945 3.610 ( 28.404 16.399 5.901) 33.325 4.514 ( -15.514 -8.957 -8.281) 19.736 6.900 ( 2.302 1.329 -2.379) 3.567 7.837 ( 12.358 7.135 15.519) 21.083 8.288 ( 0.885 0.511 1.111) 1.509 8.864 ( 17.820 10.288 -23.055) 30.902 18.836 ( -7.932 -4.579 2.582) 9.516 20.518 ( -19.628 -11.332 8.744) 24.293 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -1.046 -0.604 3.776) 3.964 1.645 ( -1.691 -0.976 -9.606) 9.802 2.221 ( 17.610 10.167 13.304) 24.299 2.635 ( -0.412 -0.238 -0.070) 0.481 4.077 ( -12.519 -7.228 0.316) 14.459 4.355 ( 25.955 14.985 -3.167) 30.137 6.946 ( 2.188 1.263 -1.416) 2.897 8.113 ( 6.045 3.490 21.202) 22.321 8.313 ( 1.097 0.633 -0.856) 1.529 9.208 ( 18.541 10.705 -24.246) 32.345 18.706 ( -4.081 -2.356 1.836) 5.058 20.089 ( -19.030 -10.987 4.796) 22.492 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -1.895 -1.094 -1.616) 2.721 1.575 ( -1.597 -0.922 -8.593) 8.788 2.582 ( -3.053 -1.762 -6.948) 7.791 2.644 ( 14.519 8.382 13.674) 21.634 3.737 ( -13.529 -7.811 2.278) 15.787 4.976 ( 24.656 14.235 -1.794) 28.526 6.990 ( 1.794 1.036 -0.213) 2.082 8.276 ( 1.665 0.961 21.838) 21.922 8.330 ( 0.899 0.519 -2.808) 2.994 9.537 ( 16.121 9.307 -20.144) 27.428 18.647 ( -1.731 -0.999 1.104) 2.284 19.682 ( -16.519 -9.537 0.520) 19.082 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 0.000 13.800 11.409) 17.905 1.067 ( 0.000 35.225 13.726) 37.805 1.899 ( -0.000 1.843 -18.933) 19.022 2.033 ( -0.000 6.604 -19.947) 21.012 2.885 ( 0.000 2.250 31.868) 31.947 5.148 ( -0.000 -8.536 -15.383) 17.593 6.791 ( -0.000 0.635 -1.249) 1.401 7.034 ( -0.000 21.556 -4.085) 21.940 8.259 ( 0.000 -0.095 3.057) 3.059 8.318 ( -0.000 5.513 -0.071) 5.514 19.297 ( 0.000 -9.942 -0.044) 9.942 21.289 ( 0.000 -14.266 4.946) 15.099 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 16.267 11.799 12.740) 23.794 1.472 ( 2.068 21.835 18.310) 28.571 1.822 ( -4.031 5.055 -17.773) 18.912 2.187 ( 14.142 12.233 -20.531) 27.770 3.054 ( 4.141 6.659 24.745) 25.958 4.935 ( -7.185 -10.620 -11.997) 17.560 6.821 ( 2.191 1.178 -1.421) 2.865 7.361 ( 10.402 24.039 -0.982) 26.211 8.273 ( 0.401 0.256 2.508) 2.552 8.423 ( 6.104 6.328 -6.040) 10.667 19.128 ( -6.281 -10.819 1.269) 12.574 21.061 ( -9.377 -16.907 7.206) 20.633 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 10.203 2.650 10.649) 14.984 1.697 ( 2.851 0.378 9.294) 9.729 1.792 ( -1.078 21.861 -8.446) 23.460 2.496 ( 10.839 7.369 -7.752) 15.228 3.410 ( 16.897 17.260 11.535) 26.767 4.618 ( -11.544 -12.056 -8.411) 18.691 6.872 ( 2.212 2.147 -1.617) 3.481 7.798 ( 11.275 18.792 9.354) 23.828 8.295 ( 0.318 1.484 1.726) 2.299 8.614 ( 12.497 7.471 -16.189) 21.773 18.914 ( -6.978 -8.072 1.949) 10.846 20.702 ( -14.384 -17.267 6.845) 23.493 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 0.475 -2.253 3.060) 3.829 1.666 ( -2.648 1.419 -6.480) 7.143 2.179 ( 11.118 20.994 12.837) 27.003 2.622 ( 2.257 1.064 -3.537) 4.329 4.012 ( 23.703 18.143 5.563) 30.364 4.256 ( -11.415 -10.556 -6.766) 16.956 6.928 ( 1.888 2.900 -1.326) 3.705 8.145 ( 5.918 9.669 18.049) 21.314 8.325 ( -0.388 3.382 1.957) 3.926 8.900 ( 18.208 9.387 -23.307) 31.031 18.755 ( -4.598 -4.549 1.483) 6.635 20.279 ( -16.358 -16.254 3.898) 23.387 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -1.291 -3.302 -1.710) 3.936 1.612 ( -3.350 2.562 -6.081) 7.400 2.542 ( 2.670 1.806 4.217) 5.308 2.673 ( 5.096 16.160 2.341) 17.106 3.877 ( -12.628 -11.546 1.786) 17.204 4.676 ( 25.634 16.067 -1.064) 30.271 6.985 ( 1.349 3.239 -0.691) 3.576 8.315 ( 1.897 2.404 3.861) 4.928 8.379 ( -1.368 5.429 16.171) 17.113 9.246 ( 18.899 8.813 -20.998) 29.594 18.668 ( -2.167 -2.157 0.784) 3.157 19.850 ( -15.811 -13.985 0.236) 21.110 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 0.000 13.555 14.325) 19.721 1.655 ( 0.000 1.999 11.762) 11.931 2.021 ( -0.000 28.403 -9.740) 30.026 2.055 ( -0.000 10.402 -21.416) 23.808 3.179 ( 0.000 10.694 19.547) 22.281 4.837 ( -0.000 -12.997 -10.972) 17.009 6.814 ( -0.000 2.013 -0.078) 2.015 7.545 ( -0.000 30.329 -2.806) 30.458 8.273 ( 0.000 -0.258 2.062) 2.078 8.420 ( -0.000 5.778 -3.900) 6.971 19.066 ( 0.000 -12.253 1.335) 12.325 20.974 ( 0.000 -20.584 6.489) 21.583 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 9.360 7.059 14.238) 18.444 1.668 ( 1.047 -2.726 1.786) 3.423 2.042 ( -3.599 20.029 -12.006) 23.627 2.384 ( 9.069 13.585 -3.494) 16.703 3.440 ( 6.607 20.751 10.818) 24.317 4.608 ( -6.013 -14.575 -8.276) 17.807 6.856 ( 1.851 2.586 -0.057) 3.180 7.904 ( 5.802 28.036 1.201) 28.656 8.301 ( 2.186 1.613 1.868) 3.296 8.489 ( 3.711 4.905 -6.977) 9.301 18.920 ( -3.497 -10.000 1.403) 10.687 20.715 ( -7.142 -21.578 5.467) 23.378 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 1.208 -1.039 4.585) 4.854 1.674 ( 1.020 -1.137 0.062) 1.529 2.292 ( 7.682 24.285 1.831) 25.537 2.560 ( 4.166 2.333 -3.395) 5.859 3.896 ( 14.848 24.769 4.688) 29.257 4.295 ( -9.481 -14.759 -5.460) 18.372 6.922 ( 2.232 3.326 -0.306) 4.017 8.211 ( 3.250 10.001 5.363) 11.804 8.429 ( 0.572 12.852 12.492) 17.932 8.623 ( 12.973 6.268 -19.988) 24.639 18.777 ( -3.592 -6.214 0.923) 7.237 20.350 ( -11.477 -20.532 3.048) 23.719 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -1.650 -3.019 -0.742) 3.520 1.663 ( -1.605 0.912 -2.126) 2.816 2.548 ( -0.814 -1.071 1.621) 2.106 2.756 ( 10.609 24.169 1.063) 26.416 3.952 ( -10.451 -14.573 0.728) 17.948 4.448 ( 19.447 20.331 -0.432) 28.138 6.993 ( 1.800 3.917 -0.415) 4.331 8.317 ( 2.046 3.409 0.853) 4.066 8.555 ( -3.180 7.729 15.835) 17.905 8.942 ( 17.755 11.182 -17.001) 27.006 18.682 ( -2.209 -3.180 0.287) 3.882 19.943 ( -13.070 -17.814 0.053) 22.094 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 0.000 6.000 15.501) 16.622 1.627 ( -0.000 -3.418 -1.075) 3.583 2.170 ( -0.000 16.252 -21.766) 27.164 2.463 ( 0.000 10.220 8.529) 13.312 3.663 ( 0.000 28.425 6.306) 29.116 4.477 ( -0.000 -16.197 -7.182) 17.718 6.867 ( 0.000 2.889 0.731) 2.981 8.141 ( -0.000 29.020 -9.541) 30.548 8.281 ( 0.000 -0.043 1.627) 1.627 8.520 ( 0.000 6.740 5.609) 8.769 18.855 ( 0.000 -9.101 0.902) 9.146 20.564 ( 0.000 -23.459 4.117) 23.818 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 1.067 -0.113 8.254) 8.324 1.617 ( 3.294 -2.421 1.824) 4.477 2.341 ( 8.183 20.183 -16.338) 27.226 2.556 ( 0.089 1.697 7.684) 7.870 4.028 ( 4.650 30.314 4.278) 30.966 4.245 ( -4.788 -15.842 -6.103) 17.639 6.918 ( 1.864 3.165 0.702) 3.739 8.265 ( -0.184 5.066 -2.180) 5.518 8.421 ( 9.189 9.207 -18.810) 22.870 8.670 ( -1.330 17.718 20.339) 27.007 18.761 ( -1.650 -6.291 0.289) 6.511 20.288 ( -5.581 -22.897 2.183) 23.668 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 0.000 0.047 12.110) 12.110 1.546 ( -0.000 -3.448 -1.407) 3.724 2.391 ( -0.000 18.800 -17.907) 25.963 2.588 ( 0.000 -1.401 8.092) 8.213 4.094 ( -0.000 -17.613 -1.888) 17.714 4.336 ( -0.000 33.462 -0.161) 33.463 6.934 ( 0.000 2.937 0.915) 3.076 8.298 ( 0.000 0.516 1.897) 1.966 8.347 ( -0.000 7.569 -23.172) 24.377 8.965 ( 0.000 22.169 21.973) 31.213 18.717 ( -0.000 -4.833 -0.318) 4.843 20.108 ( 0.000 -22.921 1.056) 22.945 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 0.000 -0.000 8.600) 8.600 0.567 ( 0.000 -0.000 8.600) 8.600 1.871 ( -0.000 0.000 -15.494) 15.494 1.871 ( -0.000 0.000 -15.494) 15.494 2.976 ( 0.000 -0.000 28.699) 28.699 5.180 ( -0.000 0.000 -16.433) 16.433 6.785 ( -0.000 0.000 -1.627) 1.627 6.785 ( -0.000 0.000 -1.627) 1.627 8.270 ( 0.000 -0.000 2.736) 2.736 8.270 ( 0.000 -0.000 2.736) 2.736 19.401 ( -0.000 0.000 -0.906) 0.906 21.444 ( 0.000 -0.000 0.915) 0.915 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 17.293 9.984 6.095) 20.878 1.044 ( 26.183 15.117 14.073) 33.348 1.771 ( -1.845 -1.065 -9.667) 9.899 1.933 ( 8.787 5.073 -20.010) 22.435 3.080 ( 1.447 0.835 23.051) 23.112 5.043 ( -7.020 -4.053 -12.381) 14.799 6.800 ( 1.325 0.765 -1.885) 2.427 6.990 ( 16.982 9.805 -1.339) 19.655 8.278 ( 0.004 0.002 2.075) 2.075 8.326 ( 4.172 2.409 -0.166) 4.821 19.296 ( -8.152 -4.707 -0.007) 9.413 21.317 ( -10.694 -6.174 2.785) 12.659 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 19.389 11.194 -1.164) 22.418 1.505 ( 6.727 3.884 15.724) 17.538 1.725 ( -0.053 -0.031 1.880) 1.881 2.228 ( 21.346 12.324 -18.889) 31.053 3.245 ( 8.786 5.073 14.460) 17.664 4.784 ( -11.949 -6.899 -7.234) 15.579 6.832 ( 2.032 1.173 -1.882) 3.008 7.478 ( 22.917 13.231 3.266) 26.663 8.285 ( 0.143 0.083 1.021) 1.034 8.454 ( 7.845 4.530 -6.702) 11.269 19.069 ( -10.459 -6.038 1.009) 12.119 21.000 ( -17.071 -9.856 3.926) 20.099 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 3.624 2.093 -17.510) 18.003 1.582 ( -1.118 -0.645 6.819) 6.940 1.941 ( 15.110 8.724 21.480) 27.673 2.554 ( 8.040 4.642 -7.611) 12.005 3.675 ( 25.154 14.523 3.999) 29.320 4.451 ( -14.916 -8.612 -2.497) 17.403 6.879 ( 2.464 1.423 -1.556) 3.243 7.999 ( 17.513 10.111 15.285) 25.349 8.292 ( 0.344 0.198 -0.366) 0.540 8.652 ( 13.213 7.628 -17.112) 22.926 18.854 ( -7.873 -4.546 0.934) 9.139 20.574 ( -19.948 -11.517 2.079) 23.128 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 0.000 15.661 9.736) 18.440 1.186 ( 0.000 40.744 6.791) 41.306 1.744 ( -0.000 -1.593 -8.495) 8.643 1.844 ( -0.000 4.413 -15.073) 15.706 3.151 ( 0.000 1.375 17.396) 17.450 5.007 ( -0.000 -7.220 -10.058) 12.381 6.783 ( -0.000 0.968 -0.283) 1.008 6.999 ( -0.000 20.679 -2.353) 20.812 8.283 ( 0.000 -0.162 1.533) 1.542 8.321 ( 0.000 3.404 0.484) 3.438 19.296 ( 0.000 -9.202 -0.014) 9.202 21.324 ( 0.000 -11.994 2.016) 12.162 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 14.253 15.522 7.369) 22.324 1.616 ( -0.146 20.785 0.820) 20.802 1.719 ( 1.046 0.043 6.634) 6.716 1.975 ( 15.194 16.750 -17.707) 28.722 3.245 ( 2.825 4.761 10.011) 11.439 4.836 ( -6.176 -10.028 -5.554) 13.021 6.811 ( 1.457 1.677 -0.487) 2.274 7.351 ( 13.132 24.697 -0.605) 27.978 8.290 ( 0.275 0.292 0.867) 0.956 8.385 ( 3.062 3.923 -1.574) 5.219 19.137 ( -5.955 -10.292 0.445) 11.899 21.110 ( -8.875 -15.606 2.209) 18.089 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 4.514 6.951 -6.652) 10.628 1.654 ( -2.307 2.493 -0.306) 3.410 1.903 ( 10.317 12.307 14.847) 21.871 2.406 ( 13.055 12.488 -7.184) 19.442 3.491 ( 14.061 14.903 1.979) 20.585 4.564 ( -10.484 -12.107 -0.677) 16.029 6.859 ( 1.780 2.581 -0.771) 3.228 7.879 ( 17.570 21.285 5.581) 28.158 8.307 ( 0.058 2.415 0.485) 2.464 8.491 ( 6.371 3.721 -6.723) 9.982 18.926 ( -6.860 -7.949 0.302) 10.504 20.740 ( -14.609 -16.965 0.584) 22.396 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 0.000 16.006 13.475) 20.923 1.656 ( -0.000 0.319 -10.910) 10.915 1.844 ( -0.000 7.458 -17.747) 19.251 2.044 ( 0.000 32.513 13.672) 35.270 3.307 ( 0.000 8.838 3.448) 9.487 4.758 ( -0.000 -12.918 -2.881) 13.235 6.818 ( 0.000 2.210 0.850) 2.368 7.512 ( -0.000 29.855 -3.245) 30.031 8.287 ( 0.000 -0.122 0.642) 0.654 8.411 ( 0.000 5.362 1.705) 5.627 19.074 ( 0.000 -11.888 0.172) 11.889 21.013 ( 0.000 -19.592 1.216) 19.629 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 0.000 -0.000 3.662) 3.662 0.635 ( 0.000 -0.000 3.662) 3.662 1.753 ( -0.000 0.000 -6.182) 6.182 1.753 ( -0.000 0.000 -6.182) 6.182 3.192 ( 0.000 -0.000 11.111) 11.111 5.050 ( -0.000 0.000 -7.008) 7.008 6.774 ( -0.000 0.000 -0.548) 0.548 6.774 ( -0.000 0.000 -0.548) 0.548 8.289 ( 0.000 -0.000 0.940) 0.940 8.289 ( 0.000 -0.000 0.940) 0.940 19.395 ( -0.000 0.000 -0.308) 0.308 21.450 ( 0.000 -0.000 0.314) 0.314 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 6.10e-05 6.53e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 16.027 9.253 -2.940) 18.739 1.173 ( 32.302 18.650 8.785) 38.320 1.739 ( 0.592 0.342 3.903) 3.962 1.760 ( 2.596 1.499 -11.112) 11.509 3.227 ( 1.039 0.600 3.664) 3.855 4.961 ( -6.150 -3.550 -2.006) 7.379 6.786 ( 1.089 0.629 -0.766) 1.472 6.985 ( 17.317 9.998 0.411) 20.000 8.290 ( -0.096 -0.055 0.226) 0.252 8.325 ( 2.813 1.624 -0.147) 3.252 19.296 ( -7.812 -4.510 0.008) 9.021 21.333 ( -9.881 -5.705 0.324) 11.415 =================== 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 3/40500 10.0 353.333 353.333 735.621 -0.000 -0.000 0.000 3/40500 20.0 206.547 206.547 417.247 -0.000 -0.000 0.000 3/40500 30.0 134.966 134.966 291.409 -0.000 -0.000 0.000 3/40500 40.0 98.475 98.475 216.452 -0.000 -0.000 0.000 3/40500 50.0 75.136 75.136 165.381 -0.000 -0.000 0.000 3/40500 60.0 58.959 58.959 129.594 -0.000 -0.000 0.000 3/40500 70.0 47.525 47.525 104.274 -0.000 -0.000 0.000 3/40500 80.0 39.313 39.313 86.101 -0.000 -0.000 0.000 3/40500 90.0 33.289 33.289 72.780 -0.000 -0.000 0.000 3/40500 100.0 28.759 28.759 62.776 -0.000 -0.000 0.000 3/40500 110.0 25.269 25.269 55.077 -0.000 -0.000 0.000 3/40500 120.0 22.516 22.516 49.013 -0.000 -0.000 0.000 3/40500 130.0 20.301 20.301 44.137 -0.000 -0.000 0.000 3/40500 140.0 18.483 18.483 40.142 -0.000 -0.000 0.000 3/40500 150.0 16.969 16.969 36.816 -0.000 -0.000 0.000 3/40500 160.0 15.689 15.689 34.006 -0.000 -0.000 0.000 3/40500 170.0 14.594 14.594 31.604 -0.000 -0.000 0.000 3/40500 180.0 13.646 13.646 29.526 -0.000 -0.000 0.000 3/40500 190.0 12.818 12.818 27.712 -0.000 -0.000 0.000 3/40500 200.0 12.088 12.088 26.115 -0.000 -0.000 0.000 3/40500 210.0 11.441 11.441 24.697 -0.000 -0.000 0.000 3/40500 220.0 10.861 10.861 23.430 -0.000 -0.000 0.000 3/40500 230.0 10.340 10.340 22.291 -0.000 -0.000 0.000 3/40500 240.0 9.868 9.868 21.262 -0.000 -0.000 0.000 3/40500 250.0 9.440 9.440 20.326 -0.000 -0.000 0.000 3/40500 260.0 9.048 9.048 19.472 -0.000 -0.000 0.000 3/40500 270.0 8.689 8.689 18.690 -0.000 -0.000 0.000 3/40500 280.0 8.358 8.358 17.969 -0.000 -0.000 0.000 3/40500 290.0 8.052 8.052 17.304 -0.000 -0.000 0.000 3/40500 300.0 7.769 7.769 16.688 -0.000 -0.000 0.000 3/40500 310.0 7.505 7.505 16.116 -0.000 -0.000 0.000 3/40500 320.0 7.259 7.259 15.582 -0.000 -0.000 0.000 3/40500 330.0 7.030 7.030 15.084 -0.000 -0.000 0.000 3/40500 340.0 6.815 6.815 14.617 -0.000 -0.000 0.000 3/40500 350.0 6.613 6.613 14.180 -0.000 -0.000 0.000 3/40500 360.0 6.422 6.422 13.768 -0.000 -0.000 0.000 3/40500 370.0 6.243 6.243 13.380 -0.000 -0.000 0.000 3/40500 380.0 6.074 6.074 13.014 -0.000 -0.000 0.000 3/40500 390.0 5.914 5.914 12.668 -0.000 -0.000 0.000 3/40500 400.0 5.762 5.762 12.340 -0.000 -0.000 0.000 3/40500 410.0 5.618 5.618 12.029 -0.000 -0.000 0.000 3/40500 420.0 5.481 5.481 11.733 -0.000 -0.000 0.000 3/40500 430.0 5.351 5.351 11.452 -0.000 -0.000 0.000 3/40500 440.0 5.227 5.227 11.185 -0.000 -0.000 0.000 3/40500 450.0 5.108 5.108 10.930 -0.000 -0.000 0.000 3/40500 460.0 4.995 4.995 10.686 -0.000 -0.000 0.000 3/40500 470.0 4.887 4.887 10.453 -0.000 -0.000 0.000 3/40500 480.0 4.784 4.784 10.230 -0.000 -0.000 0.000 3/40500 490.0 4.685 4.685 10.017 -0.000 -0.000 0.000 3/40500 500.0 4.590 4.590 9.813 -0.000 -0.000 0.000 3/40500 510.0 4.499 4.499 9.617 -0.000 -0.000 0.000 3/40500 520.0 4.411 4.411 9.428 -0.000 -0.000 0.000 3/40500 530.0 4.327 4.327 9.247 -0.000 -0.000 0.000 3/40500 540.0 4.246 4.246 9.073 -0.000 -0.000 0.000 3/40500 550.0 4.168 4.168 8.905 -0.000 -0.000 0.000 3/40500 560.0 4.093 4.093 8.744 -0.000 -0.000 0.000 3/40500 570.0 4.020 4.020 8.588 -0.000 -0.000 0.000 3/40500 580.0 3.950 3.950 8.438 -0.000 -0.000 0.000 3/40500 590.0 3.883 3.883 8.293 -0.000 -0.000 0.000 3/40500 600.0 3.817 3.817 8.153 -0.000 -0.000 0.000 3/40500 610.0 3.754 3.754 8.018 -0.000 -0.000 0.000 3/40500 620.0 3.693 3.693 7.887 -0.000 -0.000 0.000 3/40500 630.0 3.634 3.634 7.760 -0.000 -0.000 0.000 3/40500 640.0 3.577 3.577 7.638 -0.000 -0.000 0.000 3/40500 650.0 3.522 3.522 7.519 -0.000 -0.000 0.000 3/40500 660.0 3.468 3.468 7.404 -0.000 -0.000 0.000 3/40500 670.0 3.416 3.416 7.292 -0.000 -0.000 0.000 3/40500 680.0 3.365 3.365 7.184 -0.000 -0.000 0.000 3/40500 690.0 3.316 3.316 7.079 -0.000 -0.000 0.000 3/40500 700.0 3.269 3.269 6.977 -0.000 -0.000 0.000 3/40500 710.0 3.222 3.222 6.878 -0.000 -0.000 0.000 3/40500 720.0 3.177 3.177 6.782 -0.000 -0.000 0.000 3/40500 730.0 3.134 3.134 6.688 -0.000 -0.000 0.000 3/40500 740.0 3.091 3.091 6.597 -0.000 -0.000 0.000 3/40500 750.0 3.050 3.050 6.508 -0.000 -0.000 0.000 3/40500 760.0 3.010 3.010 6.422 -0.000 -0.000 0.000 3/40500 770.0 2.970 2.970 6.338 -0.000 -0.000 0.000 3/40500 780.0 2.932 2.932 6.256 -0.000 -0.000 0.000 3/40500 790.0 2.895 2.895 6.177 -0.000 -0.000 0.000 3/40500 800.0 2.859 2.859 6.099 -0.000 -0.000 0.000 3/40500 810.0 2.823 2.823 6.023 -0.000 -0.000 0.000 3/40500 820.0 2.789 2.789 5.949 -0.000 -0.000 0.000 3/40500 830.0 2.755 2.755 5.877 -0.000 -0.000 0.000 3/40500 840.0 2.722 2.722 5.807 -0.000 -0.000 0.000 3/40500 850.0 2.690 2.690 5.738 -0.000 -0.000 0.000 3/40500 860.0 2.659 2.659 5.671 -0.000 -0.000 0.000 3/40500 870.0 2.628 2.628 5.606 -0.000 -0.000 0.000 3/40500 880.0 2.598 2.598 5.542 -0.000 -0.000 0.000 3/40500 890.0 2.569 2.569 5.479 -0.000 -0.000 0.000 3/40500 900.0 2.540 2.540 5.418 -0.000 -0.000 0.000 3/40500 910.0 2.512 2.512 5.358 -0.000 -0.000 0.000 3/40500 920.0 2.485 2.485 5.300 -0.000 -0.000 0.000 3/40500 930.0 2.458 2.458 5.243 -0.000 -0.000 0.000 3/40500 940.0 2.432 2.432 5.187 -0.000 -0.000 0.000 3/40500 950.0 2.406 2.406 5.132 -0.000 -0.000 0.000 3/40500 960.0 2.381 2.381 5.078 -0.000 -0.000 0.000 3/40500 970.0 2.357 2.357 5.026 -0.000 -0.000 0.000 3/40500 980.0 2.332 2.332 4.974 -0.000 -0.000 0.000 3/40500 990.0 2.309 2.309 4.924 -0.000 -0.000 0.000 3/40500 1000.0 2.286 2.286 4.875 -0.000 -0.000 0.000 3/40500 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:30:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|