----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:12:03]------------------------- 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 1.779775055342744 1.027553607299112 6.219743079999993 b -1.779775055342740 1.027553607299112 6.219743079999993 c 0.000000000000002 -2.055107214598228 6.219743079999993 Atomic positions (fractional): *1 O 0.89401272292748 0.89401272292748 0.89401272292748 15.999 2 O 0.10598727707252 0.10598727707252 0.10598727707252 15.999 *3 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 *4 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.559550110685485 0.000000000000000 0.000000000000000 b -1.779775055342742 3.082660821897340 0.000000000000000 c 0.000000000000000 0.000000000000000 18.659229239999998 Atomic positions (fractional): *1 O 0.66666666666667 0.33333333333333 0.22734605626081 15.999 > 1 2 O 0.00000000000000 0.00000000000000 0.10598727707252 15.999 > 2 3 O 0.33333333333333 0.66666666666667 0.56067938959415 15.999 > 1 4 O 0.66666666666667 0.33333333333333 0.43932061040585 15.999 > 2 5 O 0.00000000000000 0.00000000000000 0.89401272292748 15.999 > 1 6 O 0.33333333333333 0.66666666666667 0.77265394373919 15.999 > 2 *7 Ca 0.33333333333333 0.66666666666667 0.16666666666667 40.078 > 3 8 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 3 9 Ca 0.66666666666667 0.33333333333333 0.83333333333333 40.078 > 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 10.678650332056455 0.000000000000000 0.000000000000000 b -5.339325166028226 9.247982465692020 0.000000000000000 c 0.000000000000000 0.000000000000000 18.659229239999998 Atomic positions (fractional): *1 O 0.22222222222222 0.11111111111111 0.22734605626081 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.22734605626081 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.22734605626081 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.22734605626081 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.22734605626081 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.22734605626081 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.22734605626081 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.22734605626081 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.22734605626081 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.10598727707252 15.999 > 2 11 O 0.33333333333333 0.00000000000000 0.10598727707252 15.999 > 2 12 O 0.66666666666667 0.00000000000000 0.10598727707252 15.999 > 2 13 O 0.00000000000000 0.33333333333333 0.10598727707252 15.999 > 2 14 O 0.33333333333333 0.33333333333333 0.10598727707252 15.999 > 2 15 O 0.66666666666667 0.33333333333333 0.10598727707252 15.999 > 2 16 O 0.00000000000000 0.66666666666667 0.10598727707252 15.999 > 2 17 O 0.33333333333333 0.66666666666667 0.10598727707252 15.999 > 2 18 O 0.66666666666667 0.66666666666667 0.10598727707252 15.999 > 2 19 O 0.11111111111111 0.22222222222222 0.56067938959415 15.999 > 1 20 O 0.44444444444444 0.22222222222222 0.56067938959415 15.999 > 1 21 O 0.77777777777778 0.22222222222222 0.56067938959415 15.999 > 1 22 O 0.11111111111111 0.55555555555556 0.56067938959415 15.999 > 1 23 O 0.44444444444444 0.55555555555556 0.56067938959415 15.999 > 1 24 O 0.77777777777778 0.55555555555556 0.56067938959415 15.999 > 1 25 O 0.11111111111111 0.88888888888889 0.56067938959415 15.999 > 1 26 O 0.44444444444444 0.88888888888889 0.56067938959415 15.999 > 1 27 O 0.77777777777778 0.88888888888889 0.56067938959415 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.43932061040585 15.999 > 2 29 O 0.55555555555556 0.11111111111111 0.43932061040585 15.999 > 2 30 O 0.88888888888889 0.11111111111111 0.43932061040585 15.999 > 2 31 O 0.22222222222222 0.44444444444444 0.43932061040585 15.999 > 2 32 O 0.55555555555556 0.44444444444444 0.43932061040585 15.999 > 2 33 O 0.88888888888889 0.44444444444444 0.43932061040585 15.999 > 2 34 O 0.22222222222222 0.77777777777778 0.43932061040585 15.999 > 2 35 O 0.55555555555556 0.77777777777778 0.43932061040585 15.999 > 2 36 O 0.88888888888889 0.77777777777778 0.43932061040585 15.999 > 2 37 O 0.00000000000000 0.00000000000000 0.89401272292748 15.999 > 1 38 O 0.33333333333333 0.00000000000000 0.89401272292748 15.999 > 1 39 O 0.66666666666667 0.00000000000000 0.89401272292748 15.999 > 1 40 O 0.00000000000000 0.33333333333333 0.89401272292748 15.999 > 1 41 O 0.33333333333333 0.33333333333333 0.89401272292748 15.999 > 1 42 O 0.66666666666667 0.33333333333333 0.89401272292748 15.999 > 1 43 O 0.00000000000000 0.66666666666667 0.89401272292748 15.999 > 1 44 O 0.33333333333333 0.66666666666667 0.89401272292748 15.999 > 1 45 O 0.66666666666667 0.66666666666667 0.89401272292748 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.77265394373919 15.999 > 2 47 O 0.44444444444444 0.22222222222222 0.77265394373919 15.999 > 2 48 O 0.77777777777778 0.22222222222222 0.77265394373919 15.999 > 2 49 O 0.11111111111111 0.55555555555556 0.77265394373919 15.999 > 2 50 O 0.44444444444444 0.55555555555556 0.77265394373919 15.999 > 2 51 O 0.77777777777778 0.55555555555556 0.77265394373919 15.999 > 2 52 O 0.11111111111111 0.88888888888889 0.77265394373919 15.999 > 2 53 O 0.44444444444444 0.88888888888889 0.77265394373919 15.999 > 2 54 O 0.77777777777778 0.88888888888889 0.77265394373919 15.999 > 2 *55 Ca 0.11111111111111 0.22222222222222 0.16666666666667 40.078 > 3 56 Ca 0.44444444444444 0.22222222222222 0.16666666666667 40.078 > 3 57 Ca 0.77777777777778 0.22222222222222 0.16666666666667 40.078 > 3 58 Ca 0.11111111111111 0.55555555555556 0.16666666666667 40.078 > 3 59 Ca 0.44444444444444 0.55555555555556 0.16666666666667 40.078 > 3 60 Ca 0.77777777777778 0.55555555555556 0.16666666666667 40.078 > 3 61 Ca 0.11111111111111 0.88888888888889 0.16666666666667 40.078 > 3 62 Ca 0.44444444444444 0.88888888888889 0.16666666666667 40.078 > 3 63 Ca 0.77777777777778 0.88888888888889 0.16666666666667 40.078 > 3 64 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 3 65 Ca 0.33333333333333 0.00000000000000 0.50000000000000 40.078 > 3 66 Ca 0.66666666666667 0.00000000000000 0.50000000000000 40.078 > 3 67 Ca 0.00000000000000 0.33333333333333 0.50000000000000 40.078 > 3 68 Ca 0.33333333333333 0.33333333333333 0.50000000000000 40.078 > 3 69 Ca 0.66666666666667 0.33333333333333 0.50000000000000 40.078 > 3 70 Ca 0.00000000000000 0.66666666666667 0.50000000000000 40.078 > 3 71 Ca 0.33333333333333 0.66666666666667 0.50000000000000 40.078 > 3 72 Ca 0.66666666666667 0.66666666666667 0.50000000000000 40.078 > 3 73 Ca 0.22222222222222 0.11111111111111 0.83333333333333 40.078 > 3 74 Ca 0.55555555555556 0.11111111111111 0.83333333333333 40.078 > 3 75 Ca 0.88888888888889 0.11111111111111 0.83333333333333 40.078 > 3 76 Ca 0.22222222222222 0.44444444444444 0.83333333333333 40.078 > 3 77 Ca 0.55555555555556 0.44444444444444 0.83333333333333 40.078 > 3 78 Ca 0.88888888888889 0.44444444444444 0.83333333333333 40.078 > 3 79 Ca 0.22222222222222 0.77777777777778 0.83333333333333 40.078 > 3 80 Ca 0.55555555555556 0.77777777777778 0.83333333333333 40.078 > 3 81 Ca 0.88888888888889 0.77777777777778 0.83333333333333 40.078 > 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 ---------------------------- 3.8564107 0.0000000 0.0000000 0.0000000 3.8564107 0.0000000 0.0000000 0.0000000 5.2077586 -------------------------- Born effective charges -------------------------- 1 O -1.4395094 -0.0000000 0.0000000 0.0000000 -1.4395094 0.0000000 0.0000000 0.0000000 -2.7844836 2 O -1.4395094 -0.0000000 0.0000000 0.0000000 -1.4395094 0.0000000 0.0000000 0.0000000 -2.7844836 3 Ca 2.4612207 0.0000000 0.0000000 0.0000000 2.4612207 0.0000000 0.0000000 0.0000000 2.8771564 4 Hg 0.4177980 0.0000000 0.0000000 0.0000000 0.4177980 0.0000000 0.0000000 0.0000000 2.6918108 ---------------------------------------------------------------------------- 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: 192 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): 0.009 Solver_block: 80 / 80 - Time: 0.174 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.190 --------------------------------- 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: 192 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 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:12:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:12:08]------------------------- 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 1.779775055342744 1.027553607299112 6.219743079999993 b -1.779775055342740 1.027553607299112 6.219743079999993 c 0.000000000000002 -2.055107214598228 6.219743079999993 Atomic positions (fractional): 1 O 0.89401272292748 0.89401272292748 0.89401272292748 15.999 2 O 0.10598727707252 0.10598727707252 0.10598727707252 15.999 3 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 4 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.678650332056455 0.000000000000000 0.000000000000000 b -5.339325166028226 9.247982465692020 0.000000000000000 c 0.000000000000000 0.000000000000000 18.659229239999998 Atomic positions (fractional): 1 O 0.22222222222222 0.11111111111111 0.22734605626081 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.22734605626081 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.22734605626081 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.22734605626081 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.22734605626081 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.22734605626081 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.22734605626081 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.22734605626081 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.22734605626081 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.10598727707252 15.999 > 10 11 O 0.33333333333333 0.00000000000000 0.10598727707252 15.999 > 10 12 O 0.66666666666667 0.00000000000000 0.10598727707252 15.999 > 10 13 O 0.00000000000000 0.33333333333333 0.10598727707252 15.999 > 10 14 O 0.33333333333333 0.33333333333333 0.10598727707252 15.999 > 10 15 O 0.66666666666667 0.33333333333333 0.10598727707252 15.999 > 10 16 O 0.00000000000000 0.66666666666667 0.10598727707252 15.999 > 10 17 O 0.33333333333333 0.66666666666667 0.10598727707252 15.999 > 10 18 O 0.66666666666667 0.66666666666667 0.10598727707252 15.999 > 10 19 O 0.11111111111111 0.22222222222222 0.56067938959415 15.999 > 1 20 O 0.44444444444444 0.22222222222222 0.56067938959415 15.999 > 1 21 O 0.77777777777778 0.22222222222222 0.56067938959415 15.999 > 1 22 O 0.11111111111111 0.55555555555556 0.56067938959415 15.999 > 1 23 O 0.44444444444444 0.55555555555556 0.56067938959415 15.999 > 1 24 O 0.77777777777778 0.55555555555556 0.56067938959415 15.999 > 1 25 O 0.11111111111111 0.88888888888889 0.56067938959415 15.999 > 1 26 O 0.44444444444444 0.88888888888889 0.56067938959415 15.999 > 1 27 O 0.77777777777778 0.88888888888889 0.56067938959415 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.43932061040585 15.999 > 10 29 O 0.55555555555556 0.11111111111111 0.43932061040585 15.999 > 10 30 O 0.88888888888889 0.11111111111111 0.43932061040585 15.999 > 10 31 O 0.22222222222222 0.44444444444444 0.43932061040585 15.999 > 10 32 O 0.55555555555556 0.44444444444444 0.43932061040585 15.999 > 10 33 O 0.88888888888889 0.44444444444444 0.43932061040585 15.999 > 10 34 O 0.22222222222222 0.77777777777778 0.43932061040585 15.999 > 10 35 O 0.55555555555556 0.77777777777778 0.43932061040585 15.999 > 10 36 O 0.88888888888889 0.77777777777778 0.43932061040585 15.999 > 10 37 O 0.00000000000000 0.00000000000000 0.89401272292748 15.999 > 1 38 O 0.33333333333333 0.00000000000000 0.89401272292748 15.999 > 1 39 O 0.66666666666667 0.00000000000000 0.89401272292748 15.999 > 1 40 O 0.00000000000000 0.33333333333333 0.89401272292748 15.999 > 1 41 O 0.33333333333333 0.33333333333333 0.89401272292748 15.999 > 1 42 O 0.66666666666667 0.33333333333333 0.89401272292748 15.999 > 1 43 O 0.00000000000000 0.66666666666667 0.89401272292748 15.999 > 1 44 O 0.33333333333333 0.66666666666667 0.89401272292748 15.999 > 1 45 O 0.66666666666667 0.66666666666667 0.89401272292748 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.77265394373919 15.999 > 10 47 O 0.44444444444444 0.22222222222222 0.77265394373919 15.999 > 10 48 O 0.77777777777778 0.22222222222222 0.77265394373919 15.999 > 10 49 O 0.11111111111111 0.55555555555556 0.77265394373919 15.999 > 10 50 O 0.44444444444444 0.55555555555556 0.77265394373919 15.999 > 10 51 O 0.77777777777778 0.55555555555556 0.77265394373919 15.999 > 10 52 O 0.11111111111111 0.88888888888889 0.77265394373919 15.999 > 10 53 O 0.44444444444444 0.88888888888889 0.77265394373919 15.999 > 10 54 O 0.77777777777778 0.88888888888889 0.77265394373919 15.999 > 10 55 Ca 0.11111111111111 0.22222222222222 0.16666666666667 40.078 > 55 56 Ca 0.44444444444444 0.22222222222222 0.16666666666667 40.078 > 55 57 Ca 0.77777777777778 0.22222222222222 0.16666666666667 40.078 > 55 58 Ca 0.11111111111111 0.55555555555556 0.16666666666667 40.078 > 55 59 Ca 0.44444444444444 0.55555555555556 0.16666666666667 40.078 > 55 60 Ca 0.77777777777778 0.55555555555556 0.16666666666667 40.078 > 55 61 Ca 0.11111111111111 0.88888888888889 0.16666666666667 40.078 > 55 62 Ca 0.44444444444444 0.88888888888889 0.16666666666667 40.078 > 55 63 Ca 0.77777777777778 0.88888888888889 0.16666666666667 40.078 > 55 64 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 55 65 Ca 0.33333333333333 0.00000000000000 0.50000000000000 40.078 > 55 66 Ca 0.66666666666667 0.00000000000000 0.50000000000000 40.078 > 55 67 Ca 0.00000000000000 0.33333333333333 0.50000000000000 40.078 > 55 68 Ca 0.33333333333333 0.33333333333333 0.50000000000000 40.078 > 55 69 Ca 0.66666666666667 0.33333333333333 0.50000000000000 40.078 > 55 70 Ca 0.00000000000000 0.66666666666667 0.50000000000000 40.078 > 55 71 Ca 0.33333333333333 0.66666666666667 0.50000000000000 40.078 > 55 72 Ca 0.66666666666667 0.66666666666667 0.50000000000000 40.078 > 55 73 Ca 0.22222222222222 0.11111111111111 0.83333333333333 40.078 > 55 74 Ca 0.55555555555556 0.11111111111111 0.83333333333333 40.078 > 55 75 Ca 0.88888888888889 0.11111111111111 0.83333333333333 40.078 > 55 76 Ca 0.22222222222222 0.44444444444444 0.83333333333333 40.078 > 55 77 Ca 0.55555555555556 0.44444444444444 0.83333333333333 40.078 > 55 78 Ca 0.88888888888889 0.44444444444444 0.83333333333333 40.078 > 55 79 Ca 0.22222222222222 0.77777777777778 0.83333333333333 40.078 > 55 80 Ca 0.55555555555556 0.77777777777778 0.83333333333333 40.078 > 55 81 Ca 0.88888888888889 0.77777777777778 0.83333333333333 40.078 > 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 ---------------------------- 3.8564107 0.0000000 0.0000000 0.0000000 3.8564107 0.0000000 0.0000000 0.0000000 5.2077586 -------------------------- Born effective charges -------------------------- 1 O -1.4395094 -0.0000000 0.0000000 0.0000000 -1.4395094 0.0000000 0.0000000 0.0000000 -2.7844836 2 O -1.4395094 -0.0000000 0.0000000 0.0000000 -1.4395094 0.0000000 0.0000000 0.0000000 -2.7844836 3 Ca 2.4612207 0.0000000 0.0000000 0.0000000 2.4612207 0.0000000 0.0000000 0.0000000 2.8771564 4 Hg 0.4177980 0.0000000 0.0000000 0.0000000 0.4177980 0.0000000 0.0000000 0.0000000 2.6918108 ---------------------------------------------------------------------------- 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 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:12:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:12:13]------------------------- 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 1.779775055342744 1.027553607299112 6.219743079999993 b -1.779775055342740 1.027553607299112 6.219743079999993 c 0.000000000000002 -2.055107214598228 6.219743079999993 Atomic positions (fractional): 1 O 0.89401272292748 0.89401272292748 0.89401272292748 15.999 2 O 0.10598727707252 0.10598727707252 0.10598727707252 15.999 3 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 4 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.678650332056455 0.000000000000000 0.000000000000000 b -5.339325166028226 9.247982465692020 0.000000000000000 c 0.000000000000000 0.000000000000000 18.659229239999998 Atomic positions (fractional): 1 O 0.22222222222222 0.11111111111111 0.22734605626081 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.22734605626081 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.22734605626081 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.22734605626081 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.22734605626081 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.22734605626081 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.22734605626081 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.22734605626081 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.22734605626081 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.10598727707252 15.999 > 10 11 O 0.33333333333333 0.00000000000000 0.10598727707252 15.999 > 10 12 O 0.66666666666667 0.00000000000000 0.10598727707252 15.999 > 10 13 O 0.00000000000000 0.33333333333333 0.10598727707252 15.999 > 10 14 O 0.33333333333333 0.33333333333333 0.10598727707252 15.999 > 10 15 O 0.66666666666667 0.33333333333333 0.10598727707252 15.999 > 10 16 O 0.00000000000000 0.66666666666667 0.10598727707252 15.999 > 10 17 O 0.33333333333333 0.66666666666667 0.10598727707252 15.999 > 10 18 O 0.66666666666667 0.66666666666667 0.10598727707252 15.999 > 10 19 O 0.11111111111111 0.22222222222222 0.56067938959415 15.999 > 1 20 O 0.44444444444444 0.22222222222222 0.56067938959415 15.999 > 1 21 O 0.77777777777778 0.22222222222222 0.56067938959415 15.999 > 1 22 O 0.11111111111111 0.55555555555556 0.56067938959415 15.999 > 1 23 O 0.44444444444444 0.55555555555556 0.56067938959415 15.999 > 1 24 O 0.77777777777778 0.55555555555556 0.56067938959415 15.999 > 1 25 O 0.11111111111111 0.88888888888889 0.56067938959415 15.999 > 1 26 O 0.44444444444444 0.88888888888889 0.56067938959415 15.999 > 1 27 O 0.77777777777778 0.88888888888889 0.56067938959415 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.43932061040585 15.999 > 10 29 O 0.55555555555556 0.11111111111111 0.43932061040585 15.999 > 10 30 O 0.88888888888889 0.11111111111111 0.43932061040585 15.999 > 10 31 O 0.22222222222222 0.44444444444444 0.43932061040585 15.999 > 10 32 O 0.55555555555556 0.44444444444444 0.43932061040585 15.999 > 10 33 O 0.88888888888889 0.44444444444444 0.43932061040585 15.999 > 10 34 O 0.22222222222222 0.77777777777778 0.43932061040585 15.999 > 10 35 O 0.55555555555556 0.77777777777778 0.43932061040585 15.999 > 10 36 O 0.88888888888889 0.77777777777778 0.43932061040585 15.999 > 10 37 O 0.00000000000000 0.00000000000000 0.89401272292748 15.999 > 1 38 O 0.33333333333333 0.00000000000000 0.89401272292748 15.999 > 1 39 O 0.66666666666667 0.00000000000000 0.89401272292748 15.999 > 1 40 O 0.00000000000000 0.33333333333333 0.89401272292748 15.999 > 1 41 O 0.33333333333333 0.33333333333333 0.89401272292748 15.999 > 1 42 O 0.66666666666667 0.33333333333333 0.89401272292748 15.999 > 1 43 O 0.00000000000000 0.66666666666667 0.89401272292748 15.999 > 1 44 O 0.33333333333333 0.66666666666667 0.89401272292748 15.999 > 1 45 O 0.66666666666667 0.66666666666667 0.89401272292748 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.77265394373919 15.999 > 10 47 O 0.44444444444444 0.22222222222222 0.77265394373919 15.999 > 10 48 O 0.77777777777778 0.22222222222222 0.77265394373919 15.999 > 10 49 O 0.11111111111111 0.55555555555556 0.77265394373919 15.999 > 10 50 O 0.44444444444444 0.55555555555556 0.77265394373919 15.999 > 10 51 O 0.77777777777778 0.55555555555556 0.77265394373919 15.999 > 10 52 O 0.11111111111111 0.88888888888889 0.77265394373919 15.999 > 10 53 O 0.44444444444444 0.88888888888889 0.77265394373919 15.999 > 10 54 O 0.77777777777778 0.88888888888889 0.77265394373919 15.999 > 10 55 Ca 0.11111111111111 0.22222222222222 0.16666666666667 40.078 > 55 56 Ca 0.44444444444444 0.22222222222222 0.16666666666667 40.078 > 55 57 Ca 0.77777777777778 0.22222222222222 0.16666666666667 40.078 > 55 58 Ca 0.11111111111111 0.55555555555556 0.16666666666667 40.078 > 55 59 Ca 0.44444444444444 0.55555555555556 0.16666666666667 40.078 > 55 60 Ca 0.77777777777778 0.55555555555556 0.16666666666667 40.078 > 55 61 Ca 0.11111111111111 0.88888888888889 0.16666666666667 40.078 > 55 62 Ca 0.44444444444444 0.88888888888889 0.16666666666667 40.078 > 55 63 Ca 0.77777777777778 0.88888888888889 0.16666666666667 40.078 > 55 64 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 55 65 Ca 0.33333333333333 0.00000000000000 0.50000000000000 40.078 > 55 66 Ca 0.66666666666667 0.00000000000000 0.50000000000000 40.078 > 55 67 Ca 0.00000000000000 0.33333333333333 0.50000000000000 40.078 > 55 68 Ca 0.33333333333333 0.33333333333333 0.50000000000000 40.078 > 55 69 Ca 0.66666666666667 0.33333333333333 0.50000000000000 40.078 > 55 70 Ca 0.00000000000000 0.66666666666667 0.50000000000000 40.078 > 55 71 Ca 0.33333333333333 0.66666666666667 0.50000000000000 40.078 > 55 72 Ca 0.66666666666667 0.66666666666667 0.50000000000000 40.078 > 55 73 Ca 0.22222222222222 0.11111111111111 0.83333333333333 40.078 > 55 74 Ca 0.55555555555556 0.11111111111111 0.83333333333333 40.078 > 55 75 Ca 0.88888888888889 0.11111111111111 0.83333333333333 40.078 > 55 76 Ca 0.22222222222222 0.44444444444444 0.83333333333333 40.078 > 55 77 Ca 0.55555555555556 0.44444444444444 0.83333333333333 40.078 > 55 78 Ca 0.88888888888889 0.44444444444444 0.83333333333333 40.078 > 55 79 Ca 0.22222222222222 0.77777777777778 0.83333333333333 40.078 > 55 80 Ca 0.55555555555556 0.77777777777778 0.83333333333333 40.078 > 55 81 Ca 0.88888888888889 0.77777777777778 0.83333333333333 40.078 > 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 ---------------------------- 3.8564107 0.0000000 0.0000000 0.0000000 3.8564107 0.0000000 0.0000000 0.0000000 5.2077586 -------------------------- Born effective charges -------------------------- 1 O -1.4395094 -0.0000000 0.0000000 0.0000000 -1.4395094 0.0000000 0.0000000 0.0000000 -2.7844836 2 O -1.4395094 -0.0000000 0.0000000 0.0000000 -1.4395094 0.0000000 0.0000000 0.0000000 -2.7844836 3 Ca 2.4612207 0.0000000 0.0000000 0.0000000 2.4612207 0.0000000 0.0000000 0.0000000 2.8771564 4 Hg 0.4177980 0.0000000 0.0000000 0.0000000 0.4177980 0.0000000 0.0000000 0.0000000 2.6918108 ---------------------------------------------------------------------------- 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 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 16 16 16 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.02, Number of G-points: 313, Lambda: 0.22 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/417) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.443 ( 0.000 0.000 0.000) 0.000 3.443 ( 0.000 0.000 0.000) 0.000 7.384 ( 0.000 0.000 0.000) 0.000 7.384 ( 0.000 0.000 0.000) 0.000 7.635 ( 0.000 0.000 0.000) 0.000 9.168 ( 0.000 0.000 0.000) 0.000 9.168 ( 0.000 0.000 0.000) 0.000 18.381 ( 0.000 0.000 0.000) 0.000 19.744 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/417) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.250 ( 5.860 3.383 41.575) 42.122 0.388 ( 16.073 9.280 1.714) 18.638 0.727 ( 27.347 15.789 3.635) 31.787 3.457 ( 2.360 1.363 -8.013) 8.464 3.670 ( 16.831 9.717 -0.319) 19.437 7.418 ( 1.888 1.090 6.688) 7.035 7.431 ( 3.226 1.863 -2.581) 4.532 7.596 ( -5.273 -3.044 11.145) 12.699 9.166 ( 0.267 0.154 -3.076) 3.092 12.228 ( 10.802 6.237 -76.323) 77.335 18.549 ( -11.501 -6.640 83.398) 84.449 19.719 ( -3.180 -1.836 7.507) 8.357 ======================= Grid point 2 (3/417) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 10.228 5.905 35.379) 37.299 0.756 ( 14.442 8.338 3.486) 17.036 1.262 ( 17.074 9.858 4.543) 20.232 3.505 ( 5.095 2.942 -14.724) 15.855 4.254 ( 32.479 18.752 -0.047) 37.504 7.332 ( -10.934 -6.313 0.445) 12.633 7.514 ( 3.524 2.035 12.287) 12.944 7.658 ( 8.040 4.642 2.529) 9.621 9.159 ( 0.426 0.246 -5.757) 5.778 12.219 ( 4.618 2.666 -37.458) 37.836 18.565 ( -3.367 -1.944 30.382) 30.630 19.648 ( -5.882 -3.396 13.835) 15.412 ======================= Grid point 3 (4/417) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 13.878 8.012 28.238) 32.468 1.079 ( 11.656 6.730 5.382) 14.495 1.580 ( 9.261 5.347 6.512) 12.520 3.601 ( 8.009 4.624 -19.023) 21.152 5.139 ( 41.871 24.174 -0.451) 48.351 7.009 ( -16.111 -9.301 -0.428) 18.608 7.660 ( 4.791 2.766 16.176) 17.096 7.895 ( 10.995 6.348 1.329) 12.765 9.146 ( 0.372 0.215 -7.813) 7.825 12.186 ( 1.161 0.670 -24.162) 24.199 18.595 ( 0.057 0.033 10.262) 10.262 19.542 ( -7.618 -4.398 18.240) 20.250 ======================= Grid point 4 (5/417) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 8.248 4.762 6.315) 11.427 1.387 ( 15.453 8.922 18.123) 25.432 1.775 ( 5.586 3.225 11.849) 13.491 3.750 ( 10.131 5.849 -20.152) 23.301 6.158 ( 44.520 25.704 -1.427) 51.427 6.592 ( -18.882 -10.902 -2.103) 21.905 7.842 ( 5.672 3.275 18.223) 19.364 8.164 ( 11.241 6.490 2.333) 13.188 9.123 ( 0.018 0.010 -9.240) 9.240 12.102 ( -2.525 -1.458 -17.246) 17.491 18.633 ( 1.642 0.948 0.167) 1.904 19.422 ( -7.911 -4.567 20.336) 22.293 ======================= Grid point 5 (6/417) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 5.127 2.960 5.831) 8.310 1.738 ( 10.105 5.834 -1.595) 11.777 1.987 ( 9.061 5.231 26.611) 28.594 3.929 ( 10.333 5.966 -18.054) 21.641 6.128 ( -19.480 -11.247 -3.990) 22.845 7.172 ( 41.763 24.112 -3.049) 48.320 8.043 ( 6.098 3.521 18.489) 19.784 8.431 ( 10.563 6.098 4.801) 13.107 9.083 ( -0.651 -0.376 -10.139) 10.167 11.944 ( -6.774 -3.911 -12.841) 15.036 18.666 ( 1.635 0.944 -4.386) 4.775 19.318 ( -6.468 -3.734 19.501) 20.882 ======================= Grid point 6 (7/417) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 2.810 1.622 4.285) 5.375 1.872 ( 3.677 2.123 -3.174) 5.301 2.345 ( 12.435 7.180 22.284) 26.510 4.098 ( 8.287 4.784 -13.402) 16.467 5.675 ( -17.324 -10.002 -4.969) 20.612 8.030 ( 30.696 17.722 -6.573) 36.049 8.244 ( 5.829 3.365 16.842) 18.137 8.715 ( 12.993 7.502 9.103) 17.549 9.024 ( -1.476 -0.852 -10.369) 10.508 11.700 ( -10.655 -6.152 -9.492) 15.539 18.677 ( 0.566 0.327 -4.633) 4.679 19.256 ( -3.812 -2.201 14.965) 15.598 ======================= Grid point 7 (8/417) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 1.216 0.702 2.227) 2.632 1.922 ( 1.503 0.868 -1.252) 2.139 2.660 ( 8.624 4.979 12.299) 15.825 4.216 ( 4.554 2.629 -7.101) 8.836 5.317 ( -11.062 -6.387 -3.951) 13.371 8.415 ( 4.230 2.442 11.988) 12.945 8.476 ( 10.190 5.883 -5.050) 12.804 8.951 ( -1.791 -1.034 -8.445) 8.695 9.135 ( 17.818 10.287 7.599) 21.933 11.411 ( -10.689 -6.172 -5.901) 13.681 18.668 ( -0.149 -0.086 -2.467) 2.473 19.234 ( -1.466 -0.847 7.790) 7.972 ======================= Grid point 8 (9/417) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 0.000 0.000 -0.000) 0.000 1.938 ( 0.000 0.000 -0.000) 0.000 2.789 ( 0.000 0.000 0.000) 0.000 4.258 ( 0.000 0.000 -0.000) 0.000 5.173 ( 0.000 0.000 0.000) 0.000 8.492 ( 0.000 0.000 -0.000) 0.000 8.575 ( 0.000 0.000 -0.000) 0.000 8.908 ( 0.000 0.000 0.000) 0.000 9.394 ( 0.000 0.000 0.000) 0.000 11.252 ( 0.000 0.000 0.000) 0.000 18.661 ( 0.000 0.000 -0.000) 0.000 19.231 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 18 (10/417) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( -0.000 18.297 0.693) 18.311 0.384 ( 0.000 4.396 43.256) 43.479 0.768 ( 0.000 30.623 14.284) 33.791 3.484 ( -0.000 4.948 -2.825) 5.697 3.607 ( -0.000 17.954 -12.414) 21.828 7.382 ( -0.000 -0.030 -0.266) 0.268 7.488 ( 0.000 6.305 8.438) 10.533 7.650 ( 0.000 -10.284 19.498) 22.044 9.186 ( 0.000 1.396 0.947) 1.687 11.871 ( -0.000 36.480 -118.488) 123.976 18.895 ( 0.000 -41.510 112.873) 120.264 19.765 ( 0.000 -5.674 22.171) 22.886 ======================= Grid point 19 (11/417) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 4.974 5.129 37.156) 37.837 0.681 ( 10.353 14.908 4.536) 18.709 1.193 ( 9.403 20.128 13.831) 26.169 3.502 ( -1.610 10.061 -11.609) 15.446 3.987 ( 20.372 24.564 -8.542) 33.036 7.393 ( -1.941 -4.462 0.563) 4.898 7.504 ( -0.368 -4.623 10.858) 11.807 7.672 ( 1.552 8.013 12.728) 15.120 9.182 ( -2.086 2.959 -2.293) 4.285 11.958 ( 10.591 13.082 -66.644) 68.736 18.750 ( -8.361 -14.747 47.851) 50.765 19.746 ( -3.618 -6.630 24.596) 25.729 ======================= Grid point 20 (12/417) ======================= q-point: ( 0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 9.568 5.661 28.324) 30.427 1.027 ( 10.215 12.717 7.229) 17.842 1.542 ( 7.131 10.737 14.216) 19.189 3.572 ( 0.675 15.203 -17.525) 23.210 4.718 ( 33.684 28.366 -5.660) 44.399 7.149 ( -12.407 -12.664 2.435) 17.895 7.612 ( 8.094 0.065 8.578) 11.794 7.867 ( 3.893 11.186 12.441) 17.177 9.166 ( -2.257 4.216 -5.930) 7.618 12.016 ( 7.072 3.313 -40.784) 41.525 18.659 ( -3.715 -4.474 17.579) 18.516 19.674 ( -5.839 -7.386 25.161) 26.864 ======================= Grid point 21 (13/417) ======================= q-point: ( 0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 10.927 4.981 15.515) 19.619 1.342 ( 9.437 10.302 9.420) 16.850 1.779 ( 4.761 6.382 18.061) 19.739 3.716 ( 2.175 20.226 -19.502) 28.181 5.655 ( 41.051 27.764 -4.441) 49.756 6.761 ( -15.856 -14.865 -0.020) 21.734 7.808 ( 9.002 1.794 11.334) 14.585 8.105 ( 5.766 10.405 11.817) 16.768 9.146 ( -2.685 5.074 -8.358) 10.139 12.001 ( 3.257 -1.684 -27.737) 27.979 18.634 ( -0.566 -0.685 3.860) 3.961 19.567 ( -6.927 -7.642 24.523) 26.604 ======================= Grid point 22 (14/417) ======================= q-point: ( 0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 6.715 3.447 7.700) 10.783 1.625 ( 9.701 6.574 1.807) 11.857 1.999 ( 6.120 5.839 25.639) 26.998 3.918 ( 2.135 23.752 -17.865) 29.798 6.303 ( -16.999 -15.096 -3.494) 23.001 6.653 ( 42.283 24.027 -3.276) 48.743 8.031 ( 8.197 3.811 13.108) 15.923 8.352 ( 7.192 8.095 11.561) 15.841 9.116 ( -3.475 5.515 -9.789) 11.761 11.906 ( -0.858 -5.527 -19.922) 20.693 18.641 ( 0.839 0.539 -2.207) 2.422 19.450 ( -6.593 -6.995 22.143) 24.139 ======================= Grid point 23 (15/417) ======================= q-point: ( 0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 3.538 1.820 5.027) 6.411 1.802 ( 5.737 2.967 -3.262) 7.235 2.293 ( 9.957 6.196 24.301) 26.983 4.137 ( 0.158 24.989 -13.570) 28.437 5.836 ( -16.740 -14.290 -4.556) 22.477 7.578 ( 37.989 18.625 -4.459) 42.544 8.253 ( 6.527 5.482 12.642) 15.247 8.602 ( 9.270 5.755 12.032) 16.243 9.069 ( -4.393 5.547 -10.202) 12.416 11.723 ( -5.136 -8.651 -14.493) 17.643 18.652 ( 0.892 0.308 -3.885) 3.998 19.351 ( -4.974 -5.456 17.584) 19.071 ======================= Grid point 24 (16/417) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 1.641 0.646 2.740) 3.259 1.887 ( 3.003 1.188 -2.312) 3.972 2.593 ( 9.359 4.269 15.106) 18.276 4.325 ( -3.446 24.204 -7.755) 25.649 5.425 ( -12.710 -11.100 -4.305) 17.415 8.253 ( 21.720 9.296 -2.970) 23.812 8.442 ( 3.786 5.784 8.970) 11.325 8.907 ( 14.492 5.101 7.781) 17.222 9.017 ( -2.716 5.458 -6.451) 8.876 11.467 ( -7.786 -9.962 -9.904) 16.061 18.652 ( 0.537 -0.407 -2.907) 2.983 19.283 ( -2.976 -3.651 11.014) 11.979 ======================= Grid point 25 (17/417) ======================= q-point: ( 0.50 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 0.326 -0.110 0.552) 0.650 1.925 ( 1.302 0.153 -1.075) 1.695 2.766 ( 3.168 -0.006 3.591) 4.789 4.445 ( -7.991 22.005 -1.387) 23.452 5.178 ( -3.750 -5.317 -1.121) 6.602 8.516 ( 4.324 0.563 -3.847) 5.815 8.544 ( 0.024 4.966 5.654) 7.526 8.966 ( -2.758 5.897 -1.579) 6.699 9.271 ( 12.753 -1.191 1.945) 12.956 11.242 ( -3.095 -6.359 -4.416) 8.338 18.649 ( 0.707 -0.674 -0.909) 1.334 19.239 ( -1.541 -2.357 3.607) 4.576 ======================= Grid point 26 (18/417) ======================= q-point: (-0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -0.859 -0.682 -1.448) 1.816 1.931 ( -0.119 -0.631 0.024) 0.643 2.706 ( -6.101 -4.890 -8.011) 11.194 4.477 ( -12.630 18.844 4.934) 23.215 5.200 ( 7.897 1.420 3.210) 8.642 8.452 ( -5.858 -0.826 -11.577) 13.002 8.566 ( -3.465 -1.345 5.956) 7.021 9.013 ( -1.000 6.709 7.009) 9.754 9.232 ( -8.051 -13.058 -5.779) 16.393 11.273 ( 9.981 1.021 1.755) 10.185 18.661 ( 1.208 -0.388 1.499) 1.964 19.202 ( -0.459 -1.591 -3.858) 4.198 ======================= Grid point 27 (19/417) ======================= q-point: (-0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -2.283 -1.318 -3.200) 4.146 1.908 ( -1.658 -1.411 1.526) 2.658 2.429 ( -12.652 -7.196 -16.720) 22.168 4.419 ( -16.660 15.393 10.775) 25.112 5.472 ( 16.297 5.588 4.894) 17.910 8.222 ( -12.146 -10.697 -10.680) 19.391 8.404 ( -14.862 -3.138 3.089) 15.501 8.814 ( -13.738 -12.949 -9.255) 21.026 9.101 ( -1.318 6.715 8.890) 11.219 11.544 ( 14.812 2.883 5.082) 15.922 18.689 ( 0.857 -0.150 4.634) 4.715 19.170 ( 1.456 -0.748 -11.308) 11.426 ======================= Grid point 28 (20/417) ======================= q-point: (-0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -4.327 -2.449 -4.723) 6.858 1.845 ( -5.195 -3.265 5.108) 7.984 2.046 ( -13.932 -5.589 -24.112) 28.403 4.282 ( -19.362 12.006 15.099) 27.331 5.881 ( 20.384 6.995 4.288) 21.974 7.596 ( -33.202 -25.260 -1.527) 41.746 8.125 ( -12.168 0.933 -13.097) 17.902 8.519 ( -8.422 -7.157 -3.468) 11.584 9.166 ( -2.164 6.011 8.876) 10.936 11.833 ( 12.606 1.515 6.983) 14.491 18.705 ( -1.254 -0.563 6.755) 6.894 19.176 ( 5.015 0.668 -16.765) 17.512 ======================= Grid point 29 (21/417) ======================= q-point: (-0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -8.154 -5.987 -7.855) 12.807 1.574 ( -16.758 -4.326 -9.799) 19.889 1.813 ( -4.768 -1.112 -8.555) 9.857 4.095 ( -19.778 8.827 16.884) 27.462 6.333 ( 21.243 6.670 2.620) 22.419 6.663 ( -41.264 -25.211 -1.650) 48.384 7.892 ( -9.479 -0.288 -14.555) 17.372 8.289 ( -9.995 -5.894 -0.492) 11.614 9.205 ( -2.786 4.808 7.858) 9.624 12.054 ( 8.636 -0.032 8.751) 12.295 18.674 ( -3.269 -1.097 3.998) 5.280 19.251 ( 8.134 1.931 -16.450) 18.452 ======================= Grid point 30 (22/417) ======================= q-point: (-0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -15.100 -8.458 -16.963) 24.234 1.265 ( -14.071 -0.249 -5.508) 15.113 1.678 ( -7.397 -1.989 -3.123) 8.272 3.893 ( -17.450 5.840 15.248) 23.898 5.664 ( -43.599 -20.837 -2.581) 48.391 6.770 ( 19.927 5.295 1.750) 20.692 7.691 ( -7.394 -1.151 -12.082) 14.212 8.044 ( -11.596 -4.568 0.351) 12.468 9.220 ( -2.895 3.342 6.179) 7.598 12.199 ( 4.988 -0.839 10.479) 11.636 18.603 ( -3.664 -1.063 -1.983) 4.300 19.378 ( 8.964 2.146 -12.136) 15.240 ======================= Grid point 31 (23/417) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -15.444 -4.927 -16.351) 23.025 0.983 ( -16.219 -0.971 -2.478) 16.436 1.471 ( -13.374 -2.578 -1.288) 13.681 3.711 ( -12.931 2.860 9.609) 16.362 4.736 ( -40.578 -12.300 -2.148) 42.456 7.139 ( 16.479 3.055 0.700) 16.774 7.534 ( -5.314 -1.098 -7.191) 9.009 7.801 ( -11.669 -2.562 0.150) 11.948 9.214 ( -2.456 1.682 3.633) 4.697 12.291 ( 2.538 -0.733 10.746) 11.066 18.516 ( -3.347 -0.673 -7.326) 8.082 19.516 ( 8.010 1.405 -6.358) 10.322 ======================= Grid point 32 (24/417) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.328 ( -13.169 0.000 0.000) 13.169 0.665 ( -18.344 0.000 0.000) 18.344 1.132 ( -23.231 0.000 0.000) 23.231 3.562 ( -7.560 0.000 0.000) 7.560 4.031 ( -30.841 0.000 0.000) 30.841 7.399 ( 10.297 -0.000 -0.000) 10.297 7.440 ( -3.310 0.000 0.000) 3.310 7.603 ( -8.464 0.000 0.000) 8.464 9.193 ( -1.575 0.000 0.000) 1.575 12.346 ( 1.439 -0.000 -0.000) 1.439 18.435 ( -3.008 0.000 0.000) 3.008 19.637 ( 5.909 -0.000 -0.000) 5.909 ======================= Grid point 35 (25/417) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -0.000 15.918 2.014) 16.044 0.748 ( 0.000 5.242 35.391) 35.777 1.391 ( 0.000 19.107 19.623) 27.389 3.609 ( -0.000 10.149 -5.074) 11.347 4.058 ( -0.000 36.795 -18.017) 40.969 7.383 ( -0.000 0.244 -0.001) 0.244 7.452 ( 0.000 -14.690 10.967) 18.332 7.817 ( 0.000 12.708 16.152) 20.552 9.230 ( 0.000 2.058 1.173) 2.369 11.790 ( -0.000 16.580 -65.919) 67.972 18.793 ( 0.000 -16.496 34.023) 37.811 19.790 ( 0.000 -9.870 30.953) 32.489 ======================= Grid point 36 (26/417) ======================= q-point: ( 0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 4.092 6.398 25.173) 26.294 0.998 ( 8.825 11.984 6.732) 16.335 1.645 ( 2.245 12.464 20.662) 24.234 3.705 ( -0.289 16.690 -10.238) 19.582 4.564 ( 17.279 39.646 -13.562) 45.324 7.212 ( -9.265 -15.041 5.088) 18.384 7.480 ( 7.557 -1.546 3.917) 8.651 8.019 ( 0.529 14.196 18.034) 22.958 9.238 ( -1.855 3.459 -1.338) 4.147 11.791 ( 6.087 8.430 -50.556) 51.614 18.714 ( -2.822 -8.508 16.331) 18.629 19.757 ( -3.244 -10.775 30.158) 32.189 ======================= Grid point 37 (27/417) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 7.175 5.318 18.337) 20.396 1.294 ( 9.645 9.072 4.860) 14.105 1.858 ( 2.494 7.855 21.931) 23.428 3.886 ( 1.160 25.427 -14.421) 29.255 5.322 ( 28.495 35.736 -8.324) 46.457 6.854 ( -13.308 -17.789 2.090) 22.314 7.655 ( 11.099 0.227 4.799) 12.095 8.235 ( 0.757 13.747 18.973) 23.442 9.234 ( -2.628 5.651 -4.995) 7.987 11.799 ( 5.644 0.805 -36.918) 37.356 18.653 ( -1.526 -2.874 4.936) 5.912 19.668 ( -5.147 -10.862 27.542) 30.050 ======================= Grid point 38 (28/417) ======================= q-point: ( 0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 7.226 3.611 10.407) 13.174 1.540 ( 8.265 6.061 1.840) 10.413 2.056 ( 3.838 5.840 23.923) 24.923 4.151 ( 0.495 32.768 -14.691) 35.914 6.191 ( 33.779 27.368 -6.368) 43.938 6.422 ( -13.683 -17.071 0.202) 21.879 7.893 ( 12.639 1.480 5.531) 13.876 8.447 ( 1.035 12.122 19.011) 22.571 9.224 ( -3.732 7.387 -7.588) 11.228 11.748 ( 3.004 -5.063 -26.999) 27.633 18.631 ( -0.067 -0.276 -0.999) 1.038 19.550 ( -5.739 -10.175 23.999) 26.691 ======================= Grid point 39 (29/417) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 4.695 1.701 5.641) 7.534 1.718 ( 6.436 3.528 -1.757) 7.547 2.282 ( 6.780 4.980 22.554) 24.072 4.449 ( -2.338 36.952 -11.903) 38.892 5.943 ( -15.473 -17.529 -3.867) 23.699 7.091 ( 37.351 21.237 -3.055) 43.075 8.152 ( 12.157 2.283 5.430) 13.509 8.644 ( 1.659 10.044 18.207) 20.860 9.198 ( -5.187 8.166 -8.918) 13.158 11.618 ( -0.442 -9.584 -19.677) 21.892 18.629 ( 0.511 0.191 -3.218) 3.264 19.431 ( -5.056 -8.559 19.262) 21.676 ======================= Grid point 40 (30/417) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 2.426 0.453 2.937) 3.836 1.829 ( 4.207 1.690 -2.443) 5.150 2.528 ( 8.189 3.437 15.758) 18.088 4.721 ( -6.617 38.026 -7.440) 39.308 5.507 ( -13.167 -14.700 -4.268) 20.191 7.882 ( 31.773 13.845 -2.670) 34.761 8.390 ( 10.257 2.308 4.810) 11.561 8.836 ( 3.742 7.572 15.643) 17.778 9.147 ( -6.242 7.640 -8.870) 13.266 11.413 ( -3.518 -12.168 -13.804) 18.735 18.627 ( 0.507 -0.473 -2.988) 3.068 19.333 ( -3.657 -6.372 13.208) 15.114 ======================= Grid point 41 (31/417) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 0.872 -0.243 0.911) 1.284 1.890 ( 2.420 0.506 -1.697) 2.998 2.710 ( 5.056 0.289 6.186) 7.994 4.925 ( -11.782 36.648 -2.848) 38.600 5.189 ( -6.669 -9.514 -1.686) 11.740 8.377 ( 12.841 4.374 -2.621) 13.817 8.602 ( 6.917 6.294 4.221) 10.261 9.031 ( 8.912 -1.459 7.207) 11.554 9.093 ( -4.450 8.013 -4.490) 10.207 11.189 ( -2.920 -10.860 -8.218) 13.929 18.621 ( 0.803 -1.058 -1.527) 2.024 19.258 ( -2.495 -4.462 6.481) 8.255 ======================= Grid point 42 (32/417) ======================= q-point: (-0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -0.369 -0.688 -0.727) 1.067 1.916 ( 0.996 -0.287 -0.815) 1.319 2.720 ( -2.734 -3.801 -3.696) 5.965 5.006 ( -12.530 24.115 -1.229) 27.204 5.120 ( -0.693 6.430 5.690) 8.614 8.470 ( -0.244 -1.285 -6.426) 6.558 8.685 ( -6.138 5.629 2.683) 8.750 9.088 ( 5.561 -10.967 -1.705) 12.415 9.153 ( -2.000 5.931 3.602) 7.222 11.108 ( 6.393 -4.689 -2.377) 8.278 18.630 ( 1.745 -0.878 0.383) 1.991 19.192 ( -1.937 -3.310 -0.077) 3.836 ======================= Grid point 43 (33/417) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -1.685 -1.134 -2.058) 2.892 1.915 ( -0.302 -0.851 0.094) 0.908 2.522 ( -10.572 -6.101 -10.677) 16.216 5.007 ( -18.449 26.187 5.431) 32.490 5.277 ( 10.261 4.779 6.095) 12.856 8.300 ( -11.233 -7.283 -12.448) 18.281 8.595 ( -7.903 -1.201 7.884) 11.227 8.860 ( -10.066 -14.993 -9.614) 20.459 9.238 ( -1.498 9.395 7.897) 12.364 11.291 ( 15.802 -0.688 1.332) 15.873 18.670 ( 2.633 -0.135 3.146) 4.105 19.121 ( -1.312 -2.669 -6.490) 7.139 ======================= Grid point 44 (34/417) ======================= q-point: (-0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -3.546 -1.878 -3.198) 5.131 1.889 ( -1.761 -1.405 1.689) 2.815 2.188 ( -15.105 -5.322 -14.310) 21.477 4.907 ( -24.492 23.293 10.440) 35.375 5.601 ( 18.551 4.064 4.366) 19.487 7.819 ( -22.814 -21.265 -9.016) 32.465 8.384 ( -17.022 0.188 -1.253) 17.069 8.561 ( -6.207 -6.761 -4.838) 10.375 9.315 ( -2.930 8.122 7.129) 11.197 11.591 ( 16.957 -0.605 2.803) 17.197 18.731 ( 1.454 0.395 7.562) 7.710 19.059 ( 1.287 -1.885 -13.178) 13.374 ======================= Grid point 45 (35/417) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -7.189 -3.424 -4.698) 9.246 1.796 ( -13.895 -4.445 2.389) 14.783 1.859 ( -5.790 0.609 -13.079) 14.316 4.695 ( -26.761 16.835 11.504) 33.644 6.011 ( 21.803 3.559 2.679) 22.254 7.065 ( -33.247 -22.253 -5.506) 40.385 8.084 ( -15.511 1.622 -7.688) 17.388 8.387 ( -7.395 -4.593 0.169) 8.707 9.346 ( -3.934 5.873 5.459) 8.931 11.867 ( 13.964 -1.034 3.408) 14.411 18.746 ( -3.288 -0.241 7.620) 8.303 19.073 ( 7.139 -0.230 -13.893) 15.622 ======================= Grid point 46 (36/417) ======================= q-point: (-0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -14.071 -3.952 -6.101) 15.838 1.499 ( -14.233 -0.103 -3.150) 14.578 1.767 ( -5.008 -0.478 -1.597) 5.278 4.395 ( -25.428 8.411 8.062) 27.970 6.214 ( -39.583 -13.167 -3.222) 41.840 6.440 ( 21.895 1.866 1.453) 22.023 7.829 ( -12.070 0.397 -5.517) 13.277 8.200 ( -9.921 -2.520 0.439) 10.246 9.334 ( -4.148 2.969 3.119) 5.979 12.079 ( 9.976 -0.794 3.049) 10.462 18.676 ( -5.265 -0.517 1.763) 5.576 19.195 ( 9.661 0.562 -6.693) 11.767 ======================= Grid point 47 (37/417) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -17.196 0.000 0.000) 17.196 1.248 ( -14.521 0.000 0.000) 14.521 1.647 ( -8.345 0.000 0.000) 8.345 4.043 ( -20.353 0.000 0.000) 20.353 5.407 ( -42.871 0.000 0.000) 42.871 6.829 ( 20.365 -0.000 -0.000) 20.365 7.639 ( -8.532 0.000 0.000) 8.532 7.996 ( -11.644 0.000 0.000) 11.644 9.285 ( -3.613 0.000 0.000) 3.613 12.223 ( 6.268 -0.000 -0.000) 6.268 18.582 ( -5.121 0.000 0.000) 5.121 19.357 ( 9.448 -0.000 -0.000) 9.448 ======================= Grid point 52 (38/417) ======================= q-point: ( 0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -0.000 12.132 3.043) 12.508 1.056 ( 0.000 5.002 24.406) 24.913 1.815 ( 0.000 9.629 22.036) 24.048 3.827 ( -0.000 14.883 -6.293) 16.158 4.835 ( -0.000 49.910 -16.133) 52.453 7.158 ( 0.000 -19.929 7.124) 21.164 7.395 ( 0.000 0.727 0.723) 1.025 8.232 ( 0.000 15.364 19.730) 25.006 9.278 ( -0.000 1.907 0.672) 2.022 11.661 ( -0.000 8.671 -49.095) 49.855 18.698 ( 0.000 -7.107 9.674) 12.004 19.767 ( 0.000 -12.860 30.551) 33.148 ======================= Grid point 53 (39/417) ======================= q-point: ( 0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 3.216 5.103 16.024) 17.121 1.245 ( 7.013 8.387 4.993) 12.019 1.979 ( 0.907 6.776 21.908) 22.950 4.019 ( 5.361 19.806 -8.227) 22.107 5.386 ( 9.574 48.635 -11.917) 50.980 6.874 ( -9.396 -20.572 3.548) 22.893 7.490 ( 8.489 0.365 2.371) 8.822 8.450 ( -0.524 14.849 20.484) 25.305 9.295 ( -0.439 2.956 -1.222) 3.229 11.608 ( 3.204 3.725 -41.212) 41.504 18.655 ( -0.836 -3.388 3.239) 4.761 19.707 ( -2.613 -13.374 28.056) 31.191 ======================= Grid point 54 (40/417) ======================= q-point: ( 0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 5.204 3.277 11.199) 12.776 1.464 ( 7.792 5.776 1.944) 9.892 2.136 ( 2.083 4.984 21.351) 22.024 4.357 ( 8.487 27.758 -10.043) 30.714 6.041 ( 16.894 38.706 -7.376) 42.871 6.472 ( -12.701 -19.333 0.602) 23.140 7.695 ( 12.423 1.177 3.237) 12.892 8.647 ( -1.034 13.264 20.333) 24.298 9.316 ( -1.088 5.270 -3.990) 6.699 11.550 ( 3.038 -2.585 -32.305) 32.550 18.628 ( -0.403 -0.636 -1.007) 1.257 19.601 ( -4.060 -12.761 24.351) 27.790 ======================= Grid point 55 (41/417) ======================= q-point: ( 0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 5.054 1.598 6.076) 8.063 1.639 ( 6.356 3.586 -0.173) 7.300 2.303 ( 4.128 3.826 19.328) 20.130 4.779 ( 5.857 35.442 -9.685) 37.205 6.000 ( -13.798 -19.430 -3.318) 24.061 6.763 ( 24.505 28.133 -2.309) 37.380 7.954 ( 13.558 1.918 3.087) 14.036 8.819 ( -1.109 11.503 19.202) 22.412 9.329 ( -2.996 7.208 -5.980) 9.834 11.438 ( 1.332 -8.395 -24.358) 25.798 18.617 ( -0.024 0.309 -2.946) 2.962 19.479 ( -4.259 -11.091 19.769) 23.064 ======================= Grid point 56 (42/417) ======================= q-point: ( 0.44 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 3.441 0.314 2.876) 4.496 1.762 ( 4.785 2.054 -1.506) 5.420 2.484 ( 6.040 2.524 14.507) 15.915 5.187 ( -0.656 40.392 -6.888) 40.980 5.563 ( -12.974 -16.599 -4.318) 21.505 7.468 ( 29.551 16.829 -1.061) 34.023 8.211 ( 12.305 1.271 2.527) 12.626 8.972 ( -0.979 9.979 17.479) 20.151 9.308 ( -5.668 7.721 -7.422) 12.117 11.266 ( -0.596 -12.488 -17.544) 21.543 18.608 ( -0.014 -0.162 -2.985) 2.990 19.367 ( -3.533 -8.607 14.269) 17.035 ======================= Grid point 57 (43/417) ======================= q-point: ( 0.50 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 1.768 -0.368 0.958) 2.044 1.841 ( 3.256 0.911 -1.595) 3.738 2.642 ( 5.402 0.402 7.344) 9.126 5.205 ( -8.808 -12.232 -2.917) 15.353 5.514 ( -8.328 42.369 -3.270) 43.303 8.091 ( 25.881 7.561 -2.267) 27.058 8.426 ( 11.749 -0.966 2.359) 12.022 9.082 ( -3.923 5.722 14.317) 15.910 9.248 ( -5.720 8.302 -7.350) 12.476 11.066 ( -0.919 -13.134 -11.474) 17.464 18.595 ( 0.222 -0.956 -1.863) 2.105 19.276 ( -2.716 -6.082 8.274) 10.622 ======================= Grid point 58 (44/417) ======================= q-point: ( 0.56 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 0.383 -0.709 -0.326) 0.869 1.887 ( 1.889 0.110 -1.098) 2.188 2.701 ( 0.432 -2.437 -0.286) 2.492 5.013 ( -0.959 -6.253 -0.731) 6.368 5.725 ( -15.515 40.660 1.743) 43.554 8.399 ( 6.340 0.072 -4.535) 7.795 8.679 ( 17.689 -4.842 -0.671) 18.352 8.966 ( -12.153 -1.984 2.719) 12.610 9.293 ( -1.429 10.196 3.767) 10.963 10.936 ( 3.785 -9.159 -5.923) 11.545 18.592 ( 1.277 -1.090 -0.403) 1.727 19.198 ( -2.494 -4.256 2.676) 5.611 ======================= Grid point 59 (45/417) ======================= q-point: (-0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -0.932 -0.948 -1.199) 1.790 1.905 ( 0.677 -0.380 -0.522) 0.936 2.597 ( -6.983 -4.300 -5.629) 9.947 5.046 ( 8.413 -1.152 1.170) 8.572 5.800 ( -21.711 35.792 6.174) 42.315 8.351 ( -6.286 -7.644 -10.382) 14.343 8.686 ( -3.189 -15.810 3.767) 16.563 8.830 ( -3.788 2.899 -3.699) 6.036 9.388 ( -1.467 9.785 6.558) 11.871 11.006 ( 13.206 -4.172 -1.826) 13.969 18.622 ( 3.017 -0.449 1.255) 3.298 19.115 ( -2.809 -3.171 -2.038) 4.702 ======================= Grid point 60 (46/417) ======================= q-point: (-0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -2.545 -1.178 -1.704) 3.281 1.900 ( -0.477 -0.602 0.054) 0.770 2.354 ( -12.819 -3.809 -7.129) 15.154 5.261 ( 13.388 2.277 1.323) 13.644 5.730 ( -24.499 26.367 8.601) 37.005 7.944 ( -17.926 -18.466 -10.111) 27.651 8.552 ( -2.359 -6.636 4.618) 8.422 8.672 ( -13.684 1.553 -5.860) 14.966 9.465 ( -2.506 7.466 5.345) 9.517 11.264 ( 18.610 -2.010 0.155) 18.719 18.699 ( 4.681 0.525 3.889) 6.108 19.021 ( -3.036 -2.510 -6.257) 7.394 ======================= Grid point 61 (47/417) ======================= q-point: (-0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -5.101 -1.221 -1.667) 5.503 1.876 ( -1.712 -0.643 0.888) 2.034 2.049 ( -15.722 -1.605 -5.551) 16.750 5.360 ( -21.317 11.875 4.279) 24.774 5.709 ( 11.455 4.099 3.150) 12.567 7.364 ( -24.908 -14.061 -5.403) 29.108 8.385 ( -17.887 0.885 -2.198) 18.043 8.457 ( -4.564 -2.423 0.119) 5.169 9.481 ( -3.802 3.849 2.835) 6.109 11.579 ( 18.020 -1.010 0.732) 18.063 18.810 ( 2.476 1.392 10.562) 10.937 18.929 ( 0.425 -2.087 -12.761) 12.938 ======================= Grid point 62 (48/417) ======================= q-point: (-0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -9.510 0.000 0.000) 9.510 1.752 ( -15.626 0.000 0.000) 15.626 1.833 ( -3.102 0.000 0.000) 3.102 4.948 ( -29.441 0.000 0.000) 29.441 6.059 ( 21.930 -0.000 -0.000) 21.930 6.776 ( -32.610 0.000 0.000) 32.610 8.077 ( -16.498 0.000 0.000) 16.498 8.340 ( -7.375 0.000 0.000) 7.375 9.432 ( -4.392 0.000 0.000) 4.392 11.863 ( 14.477 -0.000 -0.000) 14.477 18.777 ( -5.726 0.000 0.000) 5.726 19.014 ( 9.527 -0.000 -0.000) 9.527 ======================= Grid point 69 (49/417) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -0.000 8.034 3.159) 8.633 1.272 ( 0.000 3.593 14.026) 14.479 2.104 ( 0.000 5.186 20.486) 21.132 4.116 ( -0.000 17.438 -6.441) 18.590 5.802 ( -0.000 52.379 -11.061) 53.534 6.757 ( 0.000 -22.077 3.178) 22.305 7.422 ( 0.000 1.151 1.462) 1.860 8.675 ( 0.000 14.442 20.702) 25.242 9.314 ( -0.000 1.362 -0.033) 1.363 11.485 ( -0.000 3.289 -39.463) 39.600 18.640 ( 0.000 -1.907 0.507) 1.974 19.679 ( 0.000 -14.495 26.261) 29.996 ======================= Grid point 70 (50/417) ======================= q-point: ( 0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 2.316 2.793 9.607) 10.269 1.408 ( 5.437 5.496 2.449) 8.110 2.222 ( 0.896 3.844 18.511) 18.927 4.373 ( 10.770 19.570 -6.851) 23.365 6.261 ( 0.651 25.587 -6.875) 26.503 6.508 ( -6.606 0.839 -0.260) 6.664 7.524 ( 8.883 1.509 2.062) 9.243 8.871 ( -1.330 12.865 20.134) 23.931 9.340 ( 1.311 2.207 -1.074) 2.782 11.389 ( 0.861 -0.573 -33.915) 33.931 18.625 ( -0.265 -0.041 -1.802) 1.822 19.596 ( -1.950 -14.205 23.077) 27.169 ======================= Grid point 71 (51/417) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 3.774 1.420 5.832) 7.090 1.565 ( 6.143 3.481 0.858) 7.113 2.340 ( 2.241 2.725 15.847) 16.235 4.831 ( 17.961 23.873 -7.221) 30.735 6.008 ( -11.091 -20.460 -2.762) 23.436 6.846 ( 4.534 37.923 -2.645) 38.285 7.753 ( 12.887 3.285 1.818) 13.423 9.026 ( -1.948 10.995 18.316) 21.452 9.391 ( 1.051 4.162 -2.099) 4.778 11.263 ( 0.068 -5.908 -27.227) 27.861 18.617 ( -0.365 0.871 -3.027) 3.171 19.486 ( -2.863 -12.629 19.006) 22.998 ======================= Grid point 72 (52/417) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 3.752 0.302 2.655) 4.606 1.693 ( 5.084 2.071 -0.278) 5.497 2.463 ( 3.873 1.605 12.045) 12.753 5.395 ( 16.397 28.465 -5.386) 33.289 5.597 ( -11.413 -16.209 -4.945) 20.431 7.294 ( 11.438 23.641 0.276) 26.264 8.024 ( 12.277 4.251 1.026) 13.033 9.156 ( -1.677 9.882 16.154) 19.011 9.428 ( -1.910 5.435 -3.132) 6.557 11.090 ( -0.798 -10.860 -20.635) 23.332 18.606 ( -0.632 0.526 -3.003) 3.113 19.376 ( -2.793 -9.994 14.159) 17.554 ======================= Grid point 73 (53/417) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 2.731 -0.402 0.754) 2.861 1.785 ( 3.828 1.121 -0.873) 4.083 2.581 ( 4.577 0.239 7.018) 8.382 5.229 ( -9.725 -13.174 -2.563) 16.574 5.944 ( 7.661 36.709 -5.057) 37.840 7.727 ( 19.215 7.802 0.471) 20.744 8.255 ( 9.323 2.548 0.675) 9.689 9.273 ( -2.635 8.349 16.285) 18.489 9.401 ( -5.587 6.048 -6.556) 10.525 10.893 ( -0.232 -13.259 -14.373) 19.556 18.585 ( -0.696 -0.384 -2.027) 2.177 19.283 ( -2.348 -6.986 8.886) 11.545 ======================= Grid point 74 (54/417) ======================= q-point: ( 0.56 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 1.412 -0.680 -0.233) 1.584 1.846 ( 2.616 0.416 -0.854) 2.783 2.658 ( 2.500 -1.345 1.726) 3.323 4.986 ( -4.530 -7.744 -1.226) 9.055 6.351 ( -5.518 40.556 -0.706) 40.936 8.092 ( 20.853 -7.648 -3.085) 22.424 8.408 ( 7.125 -0.656 0.853) 7.206 9.220 ( -12.642 2.507 4.009) 13.497 9.426 ( -0.689 9.857 3.228) 10.395 10.747 ( 3.045 -11.217 -8.595) 14.456 18.567 ( 0.095 -0.848 -0.810) 1.177 19.208 ( -2.296 -4.477 4.075) 6.474 ======================= Grid point 75 (55/417) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 0.067 -0.695 -0.663) 0.963 1.882 ( 1.496 -0.027 -0.536) 1.590 2.638 ( -2.816 -2.349 -1.949) 4.153 4.919 ( 3.379 -2.995 0.286) 4.525 6.548 ( -17.915 37.134 3.545) 41.381 8.203 ( 7.914 -18.623 -7.975) 21.750 8.503 ( 5.590 -4.531 1.142) 7.286 9.026 ( -11.692 3.453 0.782) 12.216 9.523 ( -0.948 8.339 5.133) 9.838 10.743 ( 9.471 -6.355 -3.986) 12.082 18.574 ( 1.865 -0.574 0.174) 1.959 19.134 ( -2.866 -2.722 0.532) 3.988 ======================= Grid point 76 (56/417) ======================= q-point: (-0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -1.363 -0.518 -0.637) 1.591 1.896 ( 0.462 -0.168 -0.190) 0.527 2.503 ( -8.900 -1.783 -2.495) 9.414 5.037 ( 11.243 -0.366 0.632) 11.267 6.477 ( -26.692 22.416 4.516) 35.147 7.978 ( -7.853 -16.045 -6.771) 19.104 8.520 ( 0.998 -2.801 0.944) 3.120 8.882 ( -9.665 1.739 -0.539) 9.835 9.581 ( -1.852 4.663 3.093) 5.894 10.925 ( 16.606 -2.255 -1.033) 16.790 18.626 ( 4.213 -0.024 0.802) 4.289 19.053 ( -3.828 -1.402 -1.263) 4.268 ======================= Grid point 77 (57/417) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -3.046 0.000 0.000) 3.046 1.894 ( -0.557 0.000 0.000) 0.557 2.290 ( -13.354 0.000 0.000) 13.354 5.285 ( 15.980 -0.000 -0.000) 15.980 6.094 ( -29.557 0.000 0.000) 29.557 7.651 ( -17.527 0.000 0.000) 17.527 8.500 ( -1.757 0.000 0.000) 1.757 8.678 ( -14.586 0.000 0.000) 14.586 9.567 ( -3.010 0.000 0.000) 3.010 11.239 ( 19.568 -0.000 -0.000) 19.568 18.724 ( 6.578 -0.000 -0.000) 6.578 18.966 ( -4.833 0.000 0.000) 4.833 ======================= Grid point 86 (58/417) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 0.000 1.926 6.876) 7.140 1.417 ( 0.000 4.734 2.545) 5.375 2.305 ( 0.000 2.724 15.546) 15.783 4.426 ( -0.000 16.572 -5.840) 17.571 6.226 ( 0.000 -19.776 -1.708) 19.850 6.862 ( -0.000 46.189 -5.211) 46.482 7.459 ( 0.000 1.362 1.845) 2.293 9.077 ( 0.000 11.581 19.603) 22.769 9.334 ( -0.000 0.837 -0.461) 0.956 11.267 ( -0.000 -1.306 -31.522) 31.549 18.625 ( -0.000 1.031 -2.720) 2.909 19.541 ( 0.000 -14.248 20.550) 25.006 ======================= Grid point 87 (59/417) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 1.763 1.062 4.535) 4.980 1.508 ( 4.285 3.206 1.502) 5.558 2.382 ( 0.964 1.711 12.441) 12.595 4.699 ( 14.478 16.179 -5.550) 22.409 5.947 ( -6.434 -20.844 -2.328) 21.938 7.246 ( -4.616 36.915 -2.490) 37.285 7.600 ( 10.584 8.013 0.471) 13.283 9.224 ( -2.103 9.270 16.304) 18.872 9.376 ( 3.199 1.908 1.136) 3.894 11.133 ( -1.148 -4.441 -26.859) 27.248 18.626 ( -0.382 1.670 -3.233) 3.658 19.453 ( -1.290 -12.876 17.120) 21.460 ======================= Grid point 88 (60/417) ======================= q-point: ( 0.44 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 2.910 0.218 2.231) 3.673 1.623 ( 5.115 1.907 0.545) 5.486 2.458 ( 2.164 0.808 9.134) 9.422 5.207 ( 25.287 16.855 -4.755) 30.759 5.598 ( -9.411 -16.937 -3.455) 19.682 7.470 ( -0.327 19.310 1.273) 19.355 7.916 ( 8.922 16.002 -1.425) 18.377 9.323 ( -1.047 8.035 10.588) 13.333 9.464 ( 1.929 2.900 4.470) 5.667 10.952 ( -2.733 -8.416 -21.551) 23.297 18.620 ( -0.981 1.351 -3.001) 3.434 19.358 ( -1.724 -10.248 12.937) 16.594 ======================= Grid point 89 (61/417) ======================= q-point: ( 0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 3.060 -0.345 0.560) 3.130 1.723 ( 4.362 1.059 -0.104) 4.490 2.535 ( 3.243 -0.006 5.594) 6.466 5.262 ( -9.557 -12.364 -1.974) 15.751 5.871 ( 29.115 19.857 -5.109) 35.610 7.652 ( 3.372 9.600 2.098) 10.389 8.180 ( 5.347 11.422 -1.190) 12.668 9.430 ( 0.040 8.626 7.150) 11.204 9.508 ( -2.361 2.373 5.113) 6.112 10.736 ( -2.536 -11.299 -16.129) 19.856 18.598 ( -1.480 0.393 -2.047) 2.556 19.276 ( -1.631 -6.952 8.311) 10.957 ======================= Grid point 90 (62/417) ======================= q-point: ( 0.56 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 2.387 -0.524 -0.203) 2.452 1.797 ( 3.302 0.489 -0.362) 3.358 2.603 ( 3.150 -0.662 2.200) 3.899 5.009 ( -7.005 -7.061 -1.242) 10.024 6.562 ( 23.545 25.395 -2.811) 34.745 7.768 ( 4.550 -3.225 0.780) 5.632 8.330 ( 3.674 4.110 -0.465) 5.532 9.446 ( -8.360 1.735 1.351) 8.645 9.540 ( -0.320 8.195 7.207) 10.918 10.561 ( 1.255 -10.511 -10.158) 14.671 18.568 ( -1.208 -0.305 -0.924) 1.551 19.214 ( -1.690 -3.933 4.084) 5.916 ======================= Grid point 91 (63/417) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 1.245 -0.366 -0.299) 1.332 1.848 ( 2.278 0.116 -0.261) 2.295 2.636 ( 0.707 -0.827 -0.025) 1.088 4.877 ( -1.885 -2.591 -0.247) 3.213 7.120 ( 1.369 34.462 1.378) 34.517 7.737 ( 10.435 -24.137 -2.888) 26.454 8.414 ( 3.812 0.375 0.039) 3.830 9.271 ( -12.582 1.189 0.502) 12.648 9.621 ( -0.668 5.214 3.655) 6.402 10.524 ( 6.704 -5.394 -4.083) 9.524 18.552 ( 0.120 -0.316 -0.176) 0.381 19.160 ( -2.243 -1.673 1.141) 3.022 ======================= Grid point 92 (64/417) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -0.066 0.000 0.000) 0.066 1.879 ( 1.347 -0.000 -0.000) 1.347 2.604 ( -3.904 0.000 0.000) 3.904 4.891 ( 4.875 -0.000 -0.000) 4.875 7.076 ( -24.559 0.000 0.000) 24.559 7.830 ( 12.474 -0.000 -0.000) 12.474 8.475 ( 2.859 -0.000 -0.000) 2.859 9.066 ( -11.030 0.000 0.000) 11.030 9.638 ( -1.194 0.000 0.000) 1.194 10.656 ( 11.867 -0.000 -0.000) 11.867 18.569 ( 2.170 -0.000 -0.000) 2.170 19.107 ( -3.117 0.000 0.000) 3.117 ======================= Grid point 103 (65/417) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 0.000 0.568 2.700) 2.759 1.503 ( 0.000 2.507 1.668) 3.011 2.423 ( 0.000 0.858 9.232) 9.272 4.690 ( -0.000 12.563 -4.605) 13.380 5.791 ( 0.000 -19.220 -2.295) 19.357 7.498 ( 0.000 1.276 1.702) 2.127 7.735 ( -0.000 40.039 -3.728) 40.212 9.343 ( -0.000 0.480 -0.490) 0.686 9.401 ( 0.000 8.195 17.129) 18.989 11.015 ( -0.000 -5.138 -23.690) 24.241 18.639 ( -0.000 2.162 -3.268) 3.919 19.391 ( 0.000 -11.710 14.312) 18.492 ======================= Grid point 104 (66/417) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 1.471 0.038 1.439) 2.058 1.564 ( 3.624 1.591 0.924) 4.064 2.462 ( 0.941 0.227 6.308) 6.382 4.941 ( 16.747 10.464 -3.733) 20.097 5.557 ( -5.374 -15.119 -2.396) 16.224 7.545 ( 2.975 2.540 1.688) 4.261 8.095 ( 0.205 30.429 -2.940) 30.572 9.369 ( 2.371 1.552 -0.333) 2.853 9.528 ( -0.253 5.924 15.001) 16.130 10.858 ( -2.724 -6.971 -19.255) 20.658 18.644 ( -0.801 1.879 -2.826) 3.487 19.319 ( -0.686 -9.188 10.704) 14.123 ======================= Grid point 105 (67/417) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 2.485 -0.271 0.412) 2.533 1.653 ( 4.592 0.831 0.302) 4.676 2.504 ( 1.948 -0.154 3.685) 4.171 5.298 ( -7.554 -9.719 -0.644) 12.326 5.450 ( 29.643 8.899 -4.092) 31.219 7.653 ( 5.117 2.528 1.632) 5.936 8.320 ( -2.292 18.858 -2.008) 19.103 9.450 ( 4.155 2.789 -1.557) 5.241 9.610 ( -1.516 4.044 13.415) 14.093 10.654 ( -4.916 -8.107 -14.320) 17.175 18.628 ( -1.712 0.940 -1.821) 2.671 19.258 ( -0.849 -5.788 6.570) 8.797 ======================= Grid point 106 (68/417) ======================= q-point: ( 0.56 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 2.775 -0.264 -0.068) 2.789 1.736 ( 4.039 0.325 -0.014) 4.052 2.552 ( 2.726 -0.260 1.446) 3.097 5.080 ( -8.032 -4.393 -0.734) 9.184 6.124 ( 37.379 6.987 -1.798) 38.069 7.753 ( 2.230 1.220 0.984) 2.726 8.388 ( -3.672 6.900 -0.867) 7.864 9.524 ( 0.761 1.753 -2.038) 2.793 9.655 ( -1.712 3.483 9.157) 9.946 10.458 ( -3.516 -6.302 -8.039) 10.803 18.594 ( -2.051 0.134 -0.704) 2.172 19.215 ( -1.002 -2.491 2.709) 3.815 ======================= Grid point 107 (69/417) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 2.286 -0.000 -0.000) 2.286 1.801 ( 3.132 -0.000 -0.000) 3.132 2.601 ( 2.564 -0.000 -0.000) 2.564 4.932 ( -5.902 0.000 0.000) 5.902 6.840 ( 38.108 -0.000 -0.000) 38.108 7.707 ( -8.853 0.000 0.000) 8.853 8.376 ( 0.242 -0.000 -0.000) 0.242 9.466 ( -7.868 0.000 0.000) 7.868 9.670 ( -0.952 0.000 0.000) 0.952 10.399 ( 2.560 -0.000 -0.000) 2.560 18.562 ( -1.380 0.000 0.000) 1.380 19.186 ( -1.501 0.000 0.000) 1.501 ======================= Grid point 121 (70/417) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 0.000 -0.121 0.637) 0.649 1.547 ( 0.000 1.062 0.802) 1.331 2.472 ( 0.000 -0.085 3.841) 3.842 4.862 ( -0.000 6.649 -2.607) 7.142 5.463 ( 0.000 -11.029 -1.669) 11.155 7.529 ( 0.000 0.802 1.025) 1.302 8.374 ( -0.000 23.682 -2.367) 23.800 9.348 ( -0.000 0.230 -0.278) 0.361 9.638 ( 0.000 5.255 12.309) 13.383 10.761 ( -0.000 -6.309 -14.647) 15.948 18.662 ( -0.000 1.692 -2.236) 2.804 19.273 ( 0.000 -6.776 7.538) 10.135 ======================= Grid point 122 (71/417) ======================= q-point: ( 0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 1.339 -0.157 0.198) 1.363 1.588 ( 3.352 0.475 0.311) 3.400 2.487 ( 0.891 -0.137 1.773) 1.989 5.067 ( 17.892 3.589 -1.274) 18.293 5.331 ( -4.662 -5.490 -1.036) 7.276 7.579 ( 4.317 0.522 0.632) 4.394 8.530 ( -2.552 12.056 -1.309) 12.393 9.384 ( 3.766 0.398 -0.313) 3.800 9.707 ( -0.950 3.097 7.583) 8.247 10.632 ( -3.719 -4.499 -8.348) 10.186 18.659 ( -1.169 0.821 -1.148) 1.833 19.237 ( -0.280 -3.381 3.703) 5.022 ======================= Grid point 123 (72/417) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 2.361 -0.000 -0.000) 2.361 1.663 ( 4.437 -0.000 -0.000) 4.437 2.513 ( 1.836 -0.000 -0.000) 1.836 5.193 ( -7.370 0.000 0.000) 7.370 5.529 ( 31.695 -0.000 -0.000) 31.695 7.679 ( 5.967 -0.000 -0.000) 5.967 8.518 ( -5.178 0.000 0.000) 5.178 9.470 ( 5.040 -0.000 -0.000) 5.040 9.715 ( -1.423 0.000 0.000) 1.423 10.503 ( -5.973 0.000 0.000) 5.973 18.632 ( -2.037 0.000 0.000) 2.037 19.220 ( -0.508 0.000 0.000) 0.508 ======================= Grid point 140 (73/417) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 586 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -0.000 0.000 -0.000) 0.000 1.560 ( 0.000 0.000 0.000) 0.000 2.482 ( -0.000 0.000 0.000) 0.000 4.921 ( 0.000 0.000 0.000) 0.000 5.343 ( -0.000 0.000 0.000) 0.000 7.541 ( 0.000 0.000 0.000) 0.000 8.614 ( -0.000 0.000 0.000) 0.000 9.349 ( -0.000 0.000 0.000) 0.000 9.745 ( -0.000 0.000 0.000) 0.000 10.629 ( 0.000 0.000 0.000) 0.000 18.672 ( -0.000 0.000 -0.000) 0.000 19.228 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 280 (74/417) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.066 ( 0.000 -0.000 6.722) 6.722 0.066 ( 0.000 -0.000 6.722) 6.722 0.627 ( 0.000 -0.000 61.953) 61.953 3.388 ( -0.000 0.000 -10.882) 10.882 3.388 ( -0.000 0.000 -10.882) 10.882 7.416 ( 0.000 -0.000 6.283) 6.283 7.416 ( 0.000 -0.000 6.283) 6.283 8.662 ( -0.000 0.000 -4.910) 4.910 9.158 ( -0.000 0.000 -2.041) 2.041 9.158 ( -0.000 0.000 -2.041) 2.041 19.744 ( -0.000 0.000 -0.109) 0.109 21.717 ( 0.000 -0.000 0.511) 0.511 ======================= Grid point 281 (75/417) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( 16.365 9.449 4.053) 19.327 0.597 ( 15.700 9.065 15.075) 23.578 0.947 ( 12.638 7.296 45.826) 48.093 3.327 ( 0.861 0.497 -17.510) 17.538 3.608 ( 19.083 11.017 -11.496) 24.853 7.439 ( 1.378 0.795 4.065) 4.365 7.513 ( 3.567 2.060 11.893) 12.586 7.802 ( -15.676 -9.051 24.182) 30.207 9.125 ( -0.704 -0.407 -5.042) 5.107 11.121 ( 58.225 33.616 -105.636) 125.217 19.420 ( -34.429 -19.878 33.546) 52.017 20.138 ( -36.106 -20.846 85.159) 94.816 ======================= Grid point 282 (76/417) ======================= q-point: ( 0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 14.998 8.659 6.337) 18.441 0.923 ( 8.504 4.910 28.283) 29.940 1.403 ( 13.317 7.689 26.678) 30.793 3.319 ( 4.243 2.450 -21.913) 22.454 4.203 ( 34.237 19.767 -9.930) 40.761 7.358 ( -11.359 -6.558 4.268) 13.793 7.658 ( 4.713 2.721 15.923) 16.827 7.736 ( 4.202 2.426 12.116) 13.051 9.092 ( -0.319 -0.184 -7.677) 7.686 11.677 ( 21.230 12.257 -62.979) 67.582 18.903 ( -17.504 -10.106 28.346) 34.814 19.919 ( -10.730 -6.195 39.880) 41.760 ======================= Grid point 283 (77/417) ======================= q-point: ( 0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 11.841 6.836 8.317) 16.004 1.223 ( 10.048 5.801 20.797) 23.814 1.732 ( 8.099 4.676 25.286) 26.960 3.386 ( 8.076 4.663 -23.426) 25.213 5.093 ( 43.085 24.875 -8.481) 50.468 7.019 ( -17.468 -10.085 2.055) 20.274 7.835 ( 5.435 3.138 18.215) 19.265 7.953 ( 9.779 5.646 9.805) 14.955 9.058 ( -0.092 -0.053 -9.702) 9.702 11.847 ( 9.362 5.405 -40.745) 42.155 18.706 ( -6.247 -3.607 10.477) 12.720 19.799 ( -10.006 -5.777 31.430) 33.487 ======================= Grid point 284 (78/417) ======================= q-point: ( 0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 7.796 4.501 8.412) 12.321 1.512 ( 9.989 5.767 7.523) 13.771 1.990 ( 6.901 3.984 28.983) 30.058 3.539 ( 11.217 6.476 -21.492) 25.094 6.106 ( 44.422 25.647 -8.551) 52.001 6.581 ( -19.300 -11.143 -0.140) 22.286 8.029 ( 5.784 3.339 18.866) 20.013 8.231 ( 10.709 6.183 10.392) 16.152 9.020 ( -0.190 -0.110 -11.056) 11.058 11.867 ( 2.426 1.401 -28.503) 28.641 18.643 ( -1.353 -0.781 1.671) 2.287 19.662 ( -9.804 -5.660 26.196) 28.538 ======================= Grid point 285 (79/417) ======================= q-point: ( 0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 4.259 2.459 6.545) 8.187 1.722 ( 7.000 4.041 -1.126) 8.161 2.268 ( 8.609 4.971 28.029) 29.740 3.753 ( 12.175 7.029 -16.551) 21.716 6.087 ( -19.989 -11.541 -4.097) 23.442 7.119 ( 41.472 23.944 -6.998) 48.397 8.226 ( 5.629 3.250 17.838) 18.985 8.517 ( 10.627 6.135 11.681) 16.942 8.973 ( -0.601 -0.347 -11.639) 11.659 11.773 ( -3.382 -1.953 -20.654) 21.020 18.635 ( 0.443 0.256 -1.869) 1.938 19.523 ( -8.590 -4.960 20.698) 22.952 ======================= Grid point 286 (80/417) ======================= q-point: ( 0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 1.866 1.078 3.838) 4.402 1.842 ( 4.089 2.361 -2.552) 5.367 2.557 ( 8.577 4.952 19.358) 21.745 3.979 ( 10.536 6.083 -9.937) 15.709 5.627 ( -17.310 -9.994 -4.367) 20.460 7.959 ( 30.615 17.675 -6.942) 36.026 8.401 ( 4.388 2.533 14.012) 14.899 8.823 ( 12.835 7.410 11.749) 18.913 8.918 ( -0.799 -0.462 -10.307) 10.348 11.577 ( -8.000 -4.619 -14.745) 17.399 18.642 ( 0.629 0.363 -2.445) 2.551 19.403 ( -6.566 -3.791 14.223) 16.117 ======================= Grid point 287 (81/417) ======================= q-point: ( 0.50 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 0.349 0.201 1.200) 1.266 1.906 ( 2.104 1.215 -1.992) 3.142 2.761 ( 4.093 2.363 7.385) 8.768 4.166 ( 6.983 4.032 -2.757) 8.521 5.286 ( -9.944 -5.741 -2.071) 11.667 8.445 ( 12.433 7.178 -1.197) 14.407 8.496 ( 0.535 0.309 2.993) 3.056 8.889 ( 0.874 0.504 -2.507) 2.703 9.197 ( 14.687 8.479 4.825) 17.632 11.335 ( -7.900 -4.561 -8.981) 12.801 18.648 ( 0.546 0.315 -1.431) 1.564 19.309 ( -4.604 -2.658 7.018) 8.805 ======================= Grid point 288 (82/417) ======================= q-point: (-0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -0.782 -0.451 -1.040) 1.377 1.931 ( 0.605 0.349 -1.321) 1.494 2.763 ( -4.597 -2.654 -5.016) 7.303 4.280 ( 2.422 1.399 4.278) 5.111 5.185 ( 1.613 0.931 2.216) 2.895 8.438 ( -3.959 -2.286 -9.929) 10.931 8.599 ( 1.305 0.753 4.818) 5.048 8.947 ( 2.849 1.645 6.873) 7.620 9.371 ( -2.847 -1.644 -4.468) 5.547 11.241 ( 3.190 1.841 -2.229) 4.305 18.663 ( 0.960 0.555 0.431) 1.190 19.230 ( -3.234 -1.867 -0.286) 3.745 ======================= Grid point 289 (83/417) ======================= q-point: (-0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -1.934 -1.117 -2.803) 3.584 1.927 ( -0.678 -0.392 -0.763) 1.093 2.526 ( -12.263 -7.080 -13.622) 19.649 4.305 ( -2.350 -1.357 10.496) 10.842 5.362 ( 11.700 6.755 4.675) 14.295 8.274 ( -5.969 -3.446 -15.516) 16.979 8.546 ( -9.078 -5.241 8.452) 13.465 9.042 ( 2.579 1.489 9.202) 9.672 9.048 ( -19.273 -11.127 -9.311) 24.123 11.449 ( 12.644 7.300 1.605) 14.688 18.698 ( 1.367 0.789 3.447) 3.791 19.156 ( -1.839 -1.062 -7.639) 7.928 ======================= Grid point 290 (84/417) ======================= q-point: (-0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -3.440 -1.986 -4.007) 5.642 1.895 ( -1.902 -1.098 -0.363) 2.226 2.133 ( -16.231 -9.371 -17.495) 25.638 4.243 ( -6.543 -3.778 15.123) 16.905 5.724 ( 17.140 9.896 4.603) 20.320 8.069 ( -6.530 -3.770 -17.655) 19.198 8.075 ( -32.880 -18.983 1.399) 37.993 8.658 ( -10.774 -6.220 -1.159) 12.495 9.122 ( 1.589 0.917 9.018) 9.202 11.761 ( 12.396 7.157 2.341) 14.504 18.737 ( -0.071 -0.041 7.426) 7.426 19.107 ( 1.346 0.777 -14.454) 14.538 ======================= Grid point 291 (85/417) ======================= q-point: (-0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -5.552 -3.205 -4.463) 7.811 1.671 ( -17.600 -10.162 -19.274) 28.009 1.834 ( -3.491 -2.016 1.259) 4.223 4.109 ( -9.303 -5.371 17.330) 20.389 6.166 ( 18.931 10.930 3.616) 22.156 7.172 ( -41.944 -24.217 -3.304) 48.546 7.859 ( -6.164 -3.559 -17.743) 19.117 8.430 ( -10.414 -6.012 4.776) 12.938 9.176 ( 0.582 0.336 8.222) 8.250 12.021 ( 8.989 5.190 1.983) 10.568 18.721 ( -3.287 -1.898 6.079) 7.167 19.144 ( 5.996 3.462 -14.194) 15.793 ======================= Grid point 292 (86/417) ======================= q-point: (-0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -17.625 -10.176 -16.696) 26.324 1.281 ( -8.308 -4.797 -3.946) 10.373 1.735 ( -5.644 -3.258 1.970) 6.808 3.936 ( -10.030 -5.791 16.441) 20.111 6.133 ( -43.742 -25.254 -6.174) 50.885 6.623 ( 17.798 10.276 3.902) 20.919 7.669 ( -5.168 -2.984 -15.899) 16.982 8.188 ( -11.860 -6.847 7.079) 15.416 9.205 ( -0.233 -0.135 7.125) 7.130 12.195 ( 5.591 3.228 0.406) 6.469 18.638 ( -4.418 -2.551 0.852) 5.172 19.275 ( 7.900 4.561 -7.827) 12.020 ======================= Grid point 293 (87/417) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -16.008 -9.242 -8.313) 20.268 1.039 ( -11.353 -6.555 -2.504) 13.346 1.569 ( -9.783 -5.648 3.479) 11.820 3.760 ( -8.872 -5.122 12.266) 15.981 5.101 ( -41.287 -23.837 -7.852) 48.316 7.031 ( 15.461 8.926 3.904) 18.274 7.516 ( -3.733 -2.155 -12.152) 12.894 7.930 ( -12.144 -7.011 8.172) 16.230 9.214 ( -0.806 -0.466 5.622) 5.698 12.289 ( 3.127 1.805 -4.910) 6.095 18.536 ( -4.085 -2.359 -0.015) 4.717 19.445 ( 7.550 4.359 -1.000) 8.776 ======================= Grid point 294 (88/417) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( -11.159 -6.442 16.934) 21.279 0.735 ( -14.048 -8.110 -0.725) 16.237 1.271 ( -17.719 -10.230 5.838) 21.277 3.607 ( -6.683 -3.858 5.406) 9.422 4.203 ( -31.542 -18.211 -10.181) 37.818 7.360 ( 11.012 6.357 6.323) 14.201 7.417 ( -1.957 -1.130 -6.738) 7.107 7.690 ( -10.256 -5.921 8.504) 14.580 9.206 ( -1.132 -0.654 3.566) 3.798 12.291 ( 0.089 0.051 -25.631) 25.631 18.482 ( -1.214 -0.701 17.229) 17.286 19.612 ( 5.852 3.379 6.055) 9.073 ======================= Grid point 297 (89/417) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( -0.000 18.059 3.142) 18.330 0.647 ( 0.000 21.296 11.954) 24.421 1.125 ( 0.000 11.219 51.739) 52.941 3.401 ( -0.000 7.250 -13.465) 15.293 3.436 ( -0.000 17.262 -21.035) 27.211 7.413 ( 0.000 -2.119 6.148) 6.503 7.597 ( 0.000 7.599 12.869) 14.945 7.879 ( 0.000 -19.918 21.846) 29.563 9.184 ( -0.000 2.393 -1.297) 2.722 10.733 ( -0.000 66.682 -93.199) 114.597 19.492 ( 0.000 -28.877 13.624) 31.930 20.421 ( 0.000 -53.980 82.228) 98.363 ======================= Grid point 298 (90/417) ======================= q-point: ( 0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 11.400 14.702 5.280) 19.339 0.926 ( 6.057 8.990 20.544) 23.229 1.462 ( 5.147 12.753 39.684) 42.000 3.337 ( -4.980 13.099 -20.632) 24.941 3.863 ( 24.141 24.180 -16.013) 37.734 7.423 ( -1.321 -4.859 5.439) 7.412 7.630 ( -1.291 -7.633 13.080) 15.199 7.834 ( -0.059 7.456 18.289) 19.750 9.147 ( -4.845 4.378 -4.577) 7.974 11.225 ( 22.261 28.285 -72.385) 80.841 19.116 ( -13.084 -23.031 21.634) 34.200 20.156 ( -10.058 -18.190 51.885) 55.893 ======================= Grid point 299 (91/417) ======================= q-point: ( 0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 10.606 10.842 8.949) 17.610 1.183 ( 8.085 5.242 18.034) 20.447 1.780 ( 4.931 8.141 32.705) 34.062 3.368 ( -1.007 17.749 -22.743) 28.867 4.626 ( 35.931 29.252 -12.425) 47.969 7.183 ( -13.722 -13.366 4.079) 19.586 7.714 ( 9.934 -3.171 11.759) 15.717 8.027 ( 1.823 12.701 18.291) 22.343 9.096 ( -4.131 5.264 -8.007) 10.435 11.540 ( 15.603 10.562 -51.097) 54.460 18.815 ( -8.459 -10.166 12.526) 18.215 19.999 ( -8.968 -11.282 37.120) 39.819 ======================= Grid point 300 (92/417) ======================= q-point: ( 0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 7.827 5.852 10.953) 14.680 1.434 ( 8.765 5.345 8.185) 13.129 2.034 ( 4.832 5.145 30.717) 31.517 3.510 ( 1.912 22.875 -21.233) 31.269 5.580 ( 41.917 28.912 -10.002) 51.894 6.767 ( -17.096 -15.584 1.081) 23.159 7.928 ( 11.791 -1.711 12.710) 17.421 8.260 ( 3.045 12.435 17.946) 22.044 9.053 ( -3.802 5.864 -10.189) 12.355 11.671 ( 8.998 2.413 -36.588) 37.756 18.675 ( -3.370 -3.645 4.210) 6.509 19.845 ( -9.099 -9.881 29.415) 32.336 ======================= Grid point 301 (93/417) ======================= q-point: ( 0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 5.147 2.706 7.941) 9.843 1.638 ( 7.139 4.075 1.444) 8.346 2.276 ( 6.441 4.000 27.946) 28.956 3.743 ( 2.940 26.377 -16.541) 31.273 6.262 ( -15.162 -13.536 -4.612) 20.842 6.606 ( 39.550 23.209 -5.677) 46.206 8.162 ( 10.717 -0.152 13.273) 17.060 8.500 ( 4.615 10.125 16.933) 20.261 9.010 ( -4.041 6.287 -11.162) 13.433 11.668 ( 3.169 -2.802 -26.719) 27.052 18.630 ( -0.501 -0.903 -0.149) 1.043 19.680 ( -8.668 -8.780 23.043) 26.138 ======================= Grid point 302 (94/417) ======================= q-point: ( 0.44 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 2.588 0.896 4.560) 5.320 1.778 ( 5.108 2.582 -1.631) 5.951 2.522 ( 7.653 3.169 20.754) 22.346 4.015 ( 1.643 27.228 -10.305) 29.159 5.792 ( -17.013 -14.388 -4.000) 22.638 7.520 ( 37.621 20.097 -6.640) 43.166 8.377 ( 7.742 1.475 11.627) 14.046 8.740 ( 7.004 6.818 14.561) 17.538 8.966 ( -4.061 6.596 -9.768) 12.466 11.551 ( -2.100 -6.564 -19.411) 20.598 18.624 ( 0.587 -0.189 -1.687) 1.796 19.523 ( -7.365 -7.232 16.543) 19.499 ======================= Grid point 303 (95/417) ======================= q-point: ( 0.50 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 0.839 -0.036 1.726) 1.919 1.864 ( 3.245 1.404 -2.209) 4.169 2.721 ( 5.627 1.235 10.141) 11.663 4.266 ( -1.500 25.855 -3.805) 26.177 5.389 ( -12.002 -10.643 -2.587) 16.248 8.215 ( 23.311 11.132 -3.692) 26.095 8.519 ( 2.051 2.952 4.216) 5.540 8.919 ( -0.433 6.116 -2.450) 6.602 9.033 ( 10.648 4.518 7.845) 13.976 11.350 ( -5.068 -8.072 -13.112) 16.210 18.630 ( 0.893 -0.300 -1.506) 1.776 19.388 ( -5.721 -5.497 9.699) 12.531 ======================= Grid point 304 (96/417) ======================= q-point: ( 0.56 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -0.409 -0.515 -0.468) 0.807 1.909 ( 1.683 0.518 -2.062) 2.711 2.776 ( -1.166 -2.466 -1.434) 3.082 4.450 ( -5.669 22.903 2.386) 23.714 5.178 ( -2.216 -4.334 1.232) 5.021 8.456 ( -0.651 -0.579 -8.650) 8.694 8.590 ( 2.753 5.461 4.235) 7.439 8.988 ( 0.558 6.984 5.483) 8.897 9.273 ( 9.021 -3.017 -1.282) 9.598 11.187 ( 0.009 -4.441 -6.496) 7.869 18.643 ( 1.431 -0.264 -0.336) 1.494 19.273 ( -4.459 -4.104 2.930) 6.731 ======================= Grid point 305 (97/417) ======================= q-point: (-0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -1.562 -0.873 -2.073) 2.738 1.922 ( 0.323 -0.133 -2.089) 2.118 2.614 ( -9.663 -6.144 -9.690) 15.001 4.543 ( -10.054 19.118 8.072) 23.060 5.238 ( 8.730 2.009 4.189) 9.889 8.317 ( -7.385 -1.419 -14.976) 16.758 8.643 ( -2.939 -0.801 9.188) 9.680 9.092 ( -0.390 6.146 7.930) 10.040 9.160 ( -9.519 -13.152 -7.875) 18.045 11.275 ( 12.123 2.111 -1.640) 12.414 18.678 ( 2.426 0.270 1.816) 3.043 19.164 ( -3.634 -3.199 -3.479) 5.962 ======================= Grid point 306 (98/417) ======================= q-point: (-0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -2.951 -1.405 -3.168) 4.552 1.904 ( -1.042 -0.544 -3.490) 3.682 2.280 ( -15.312 -7.631 -11.226) 20.462 4.537 ( -14.360 15.222 12.573) 24.414 5.520 ( 16.295 5.509 4.381) 17.750 8.080 ( -9.861 -6.959 -15.842) 19.916 8.447 ( -21.800 -8.570 2.082) 23.516 8.748 ( -10.228 -11.135 -1.703) 15.215 9.187 ( -0.906 6.399 8.025) 10.304 11.565 ( 16.037 3.592 -0.972) 16.463 18.744 ( 2.608 0.773 6.108) 6.687 19.061 ( -1.979 -2.250 -10.222) 10.652 ======================= Grid point 307 (99/417) ======================= q-point: (-0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -5.019 -2.811 -4.060) 7.041 1.806 ( -10.215 -2.142 -19.629) 22.232 1.921 ( -10.346 -5.260 6.779) 13.441 4.434 ( -17.695 11.191 14.711) 25.589 5.920 ( 20.135 6.583 3.479) 21.468 7.547 ( -30.245 -25.767 -7.756) 40.483 7.986 ( -16.152 2.313 -14.443) 21.790 8.543 ( -7.818 -7.382 8.079) 13.449 9.246 ( -1.965 5.318 7.050) 9.047 11.858 ( 13.760 2.478 -2.286) 14.167 18.786 ( -2.464 -0.822 8.854) 9.227 19.022 ( 4.759 0.646 -13.203) 14.050 ======================= Grid point 308 (100/417) ======================= q-point: (-0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -11.545 -7.534 -7.728) 15.804 1.466 ( -14.806 0.396 -8.762) 17.209 1.812 ( -4.955 -2.630 5.712) 8.006 4.250 ( -18.898 7.022 13.563) 24.298 6.356 ( 19.170 5.337 1.799) 19.980 6.622 ( -38.744 -24.374 -6.056) 46.172 7.744 ( -10.052 2.427 -14.333) 17.674 8.341 ( -10.251 -7.451 10.300) 16.331 9.273 ( -2.591 3.741 5.655) 7.259 12.073 ( 9.847 1.352 -5.201) 11.218 18.707 ( -5.396 -1.945 1.634) 5.964 19.144 ( 8.927 2.699 -3.407) 9.929 ======================= Grid point 309 (101/417) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -16.328 -5.791 -0.696) 17.339 1.228 ( -13.233 0.661 -2.141) 13.421 1.695 ( -7.577 -3.179 6.025) 10.189 4.015 ( -17.302 2.521 8.583) 19.478 5.607 ( -43.607 -19.256 -8.334) 48.393 6.796 ( 19.980 4.153 3.387) 20.686 7.576 ( -7.306 2.549 -10.113) 12.734 8.106 ( -11.978 -7.010 11.282) 17.886 9.270 ( -2.700 1.686 3.777) 4.940 12.194 ( 5.800 0.914 -11.604) 13.005 18.600 ( -4.815 -1.461 1.316) 5.201 19.337 ( 9.269 2.710 4.320) 10.579 ======================= Grid point 310 (102/417) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -13.155 -1.422 20.480) 24.382 0.973 ( -16.011 0.178 0.509) 16.020 1.504 ( -13.275 -4.002 8.127) 16.071 3.759 ( -13.180 -2.691 -0.299) 13.455 4.679 ( -41.127 -8.551 -8.903) 42.939 7.164 ( 16.919 1.251 4.030) 17.437 7.477 ( -4.784 3.865 -3.300) 6.979 7.866 ( -12.098 -5.635 11.722) 17.763 9.239 ( -2.294 -0.819 1.184) 2.709 12.202 ( 0.365 1.004 -27.580) 27.600 18.550 ( -1.081 -0.180 12.996) 13.042 19.543 ( 8.306 1.789 11.836) 14.570 ======================= Grid point 314 (103/417) ======================= q-point: ( 0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -0.000 15.725 4.782) 16.436 1.040 ( 0.000 7.495 22.011) 23.252 1.686 ( 0.000 11.805 37.902) 39.698 3.507 ( -0.000 12.772 -15.104) 19.780 3.853 ( -0.000 38.745 -22.069) 44.590 7.416 ( 0.000 -1.623 6.554) 6.752 7.560 ( 0.000 -16.662 9.777) 19.319 8.002 ( 0.000 12.952 19.977) 23.808 9.230 ( -0.000 2.737 -1.328) 3.042 11.098 ( -0.000 29.523 -67.909) 74.049 19.043 ( 0.000 -22.543 15.769) 27.511 20.204 ( 0.000 -20.147 46.564) 50.736 ======================= Grid point 315 (104/417) ======================= q-point: ( 0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 9.015 12.223 6.124) 16.376 1.199 ( 3.060 4.313 20.079) 20.764 1.921 ( 1.623 7.716 32.918) 33.849 3.560 ( -3.374 20.685 -17.990) 27.621 4.414 ( 20.521 41.037 -15.977) 48.584 7.264 ( -10.426 -15.303 5.163) 19.224 7.547 ( 8.428 -4.793 8.833) 13.116 8.216 ( 0.278 14.632 20.674) 25.329 9.212 ( -4.092 4.479 -3.864) 7.193 11.249 ( 11.008 16.616 -55.113) 58.607 18.847 ( -4.526 -13.816 10.303) 17.819 20.110 ( -4.947 -16.177 37.603) 41.233 ======================= Grid point 316 (105/417) ======================= q-point: ( 0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 7.936 7.034 9.489) 14.230 1.371 ( 6.343 3.611 11.258) 13.417 2.121 ( 2.571 4.631 29.033) 29.512 3.721 ( -0.377 29.133 -17.969) 34.231 5.224 ( 30.304 37.325 -10.881) 49.293 6.876 ( -14.521 -18.740 2.031) 23.794 7.729 ( 12.036 -2.213 9.543) 15.519 8.437 ( 0.227 14.088 20.618) 24.973 9.173 ( -4.620 6.861 -7.129) 10.920 11.395 ( 10.655 5.811 -42.102) 43.816 18.701 ( -3.251 -6.340 4.595) 8.479 19.966 ( -6.838 -14.068 30.358) 34.151 ======================= Grid point 317 (106/417) ======================= q-point: ( 0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 5.067 1.978 9.567) 11.005 1.564 ( 7.062 4.161 2.948) 8.711 2.308 ( 4.141 2.956 25.289) 25.795 4.002 ( 0.501 35.722 -14.726) 38.641 6.110 ( 32.019 27.272 -9.020) 43.016 6.425 ( -12.357 -15.902 0.284) 20.141 7.971 ( 13.432 -1.215 9.751) 16.643 8.643 ( 0.270 12.284 19.495) 23.044 9.140 ( -5.040 8.628 -8.836) 13.339 11.449 ( 7.099 -1.690 -31.644) 32.475 18.630 ( -1.140 -2.230 0.727) 2.608 19.795 ( -7.468 -12.519 24.041) 28.115 ======================= Grid point 318 (107/417) ======================= q-point: ( 0.44 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 3.533 0.419 4.954) 6.099 1.711 ( 5.267 2.707 0.253) 5.927 2.497 ( 5.775 1.842 19.632) 20.547 4.338 ( -1.344 39.067 -9.900) 40.325 5.905 ( -15.804 -17.692 -3.545) 23.986 7.047 ( 37.018 22.937 -5.365) 43.877 8.225 ( 12.614 -0.654 8.704) 15.339 8.825 ( 0.623 10.054 16.906) 19.679 9.108 ( -5.774 9.226 -8.295) 13.684 11.399 ( 2.804 -7.015 -23.426) 24.614 18.608 ( 0.131 -0.718 -1.092) 1.313 19.619 ( -7.033 -10.594 17.819) 21.891 ======================= Grid point 319 (108/417) ======================= q-point: ( 0.50 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 1.719 -0.361 1.977) 2.645 1.810 ( 3.851 1.643 -1.378) 4.408 2.665 ( 5.599 0.406 11.337) 12.651 4.659 ( -5.092 39.356 -4.838) 39.978 5.471 ( -12.776 -14.426 -2.688) 19.456 7.842 ( 31.712 15.252 -4.727) 35.505 8.445 ( 9.816 0.064 4.970) 11.003 8.983 ( 1.266 8.526 11.565) 14.423 9.071 ( -5.121 6.921 -3.628) 9.343 11.259 ( -0.780 -9.964 -16.583) 19.362 18.605 ( 0.666 -0.652 -1.376) 1.662 19.458 ( -5.937 -8.295 11.460) 15.342 ======================= Grid point 320 (109/417) ======================= q-point: ( 0.56 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 0.294 -0.669 0.004) 0.731 1.872 ( 2.472 0.809 -1.966) 3.260 2.749 ( 1.545 -2.007 1.714) 3.058 4.905 ( -9.813 35.264 -0.970) 36.617 5.188 ( -5.445 -6.721 1.363) 8.757 8.343 ( 12.565 3.949 -4.308) 13.858 8.617 ( 6.516 6.220 -1.464) 9.126 9.057 ( 0.666 1.325 0.214) 1.498 9.121 ( 1.976 4.660 8.335) 9.751 11.095 ( -0.191 -8.854 -10.240) 13.538 18.610 ( 1.280 -0.829 -0.706) 1.680 19.318 ( -4.919 -6.147 5.309) 9.496 ======================= Grid point 321 (110/417) ======================= q-point: (-0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -0.914 -0.823 -1.329) 1.811 1.901 ( 1.128 0.213 -2.328) 2.596 2.671 ( -5.893 -4.669 -5.779) 9.483 5.005 ( -6.996 17.956 1.207) 19.308 5.185 ( -2.898 13.177 6.976) 15.189 8.373 ( -4.188 -0.659 -12.258) 12.970 8.731 ( -2.155 4.772 5.888) 7.879 9.055 ( 2.093 -14.763 -3.730) 15.370 9.211 ( -0.994 9.238 7.052) 11.664 11.072 ( 8.733 -3.396 -4.945) 10.595 18.635 ( 2.572 -0.464 0.573) 2.676 19.191 ( -4.465 -4.587 -0.039) 6.401 ======================= Grid point 322 (111/417) ======================= q-point: (-0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( -2.240 -1.068 -2.211) 3.323 1.900 ( -0.287 -0.046 -3.458) 3.470 2.428 ( -12.412 -5.642 -7.301) 15.466 5.068 ( -12.792 22.576 6.641) 26.784 5.339 ( 6.980 7.763 6.070) 12.076 8.157 ( -11.459 -5.715 -15.256) 19.918 8.683 ( -10.571 -1.978 4.785) 11.771 8.777 ( -8.436 -15.364 -2.315) 17.680 9.313 ( -1.399 8.869 6.946) 11.352 11.282 ( 16.903 0.014 -3.301) 17.222 18.701 ( 4.380 0.466 2.761) 5.198 19.065 ( -4.402 -3.574 -4.426) 7.194 ======================= Grid point 323 (112/417) ======================= q-point: (-0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -4.232 -1.664 -2.824) 5.353 1.859 ( -3.104 0.411 -8.475) 9.035 2.112 ( -14.557 -4.817 0.318) 15.336 5.012 ( -22.262 21.487 10.353) 32.626 5.638 ( 17.789 3.899 3.020) 18.460 7.715 ( -20.715 -19.081 -11.029) 30.246 8.294 ( -19.686 -0.477 -13.304) 23.765 8.622 ( -6.059 -6.985 13.380) 16.264 9.377 ( -2.887 7.031 5.297) 9.265 11.583 ( 17.485 0.364 -4.381) 18.029 18.816 ( 4.848 1.433 8.428) 9.828 18.938 ( -3.019 -2.754 -10.004) 10.807 ======================= Grid point 324 (113/417) ======================= q-point: (-0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -8.442 -2.542 -2.983) 9.308 1.693 ( -12.416 1.835 -11.425) 16.972 1.904 ( -6.624 -3.174 10.596) 12.893 4.798 ( -25.887 13.627 8.618) 30.498 6.033 ( 21.655 2.823 1.493) 21.890 7.000 ( -32.329 -20.583 -6.964) 38.953 7.970 ( -15.511 5.204 -13.212) 21.029 8.468 ( -8.371 -7.211 13.859) 17.723 9.390 ( -3.812 4.260 3.186) 6.544 11.849 ( 14.113 0.443 -7.100) 15.805 18.791 ( -5.732 -1.599 -1.765) 6.207 19.002 ( 9.206 1.634 2.994) 9.818 ======================= Grid point 325 (114/417) ======================= q-point: (-0.12 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -13.748 -0.769 2.865) 14.064 1.469 ( -12.757 2.525 -2.406) 13.225 1.809 ( -5.843 -2.319 9.138) 11.092 4.446 ( -25.377 2.902 1.921) 25.614 6.171 ( -39.527 -9.636 -5.259) 41.023 6.453 ( 21.888 0.487 1.234) 21.928 7.754 ( -11.372 5.639 -7.877) 14.939 8.279 ( -10.528 -6.344 13.654) 18.372 9.353 ( -4.026 0.813 0.586) 4.149 12.032 ( 9.307 1.143 -12.289) 15.458 18.674 ( -4.896 -0.885 -2.099) 5.400 19.211 ( 9.919 1.635 9.831) 14.061 ======================= Grid point 326 (115/417) ======================= q-point: (-0.06 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -13.535 3.161 17.152) 22.077 1.259 ( -14.140 2.022 2.235) 14.457 1.697 ( -8.541 -1.704 10.200) 13.413 4.001 ( -20.946 -6.550 -8.173) 23.418 5.386 ( -43.510 4.156 -4.237) 43.912 6.836 ( 20.861 -1.509 1.350) 20.959 7.633 ( -7.608 6.176 -0.078) 9.799 8.069 ( -11.940 -4.512 13.186) 18.352 9.272 ( -3.599 -2.595 -2.567) 5.126 12.106 ( 3.264 2.339 -22.445) 22.802 18.605 ( -2.123 -0.043 4.120) 4.635 19.441 ( 9.807 0.610 16.320) 19.050 ======================= Grid point 331 (116/417) ======================= q-point: ( 0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 0.000 11.456 5.728) 12.808 1.276 ( 0.000 2.577 18.949) 19.124 2.079 ( 0.000 5.294 29.445) 29.917 3.717 ( -0.000 17.821 -15.290) 23.482 4.677 ( -0.000 52.739 -14.809) 54.778 7.220 ( 0.000 -21.388 4.744) 21.908 7.436 ( 0.000 -1.047 7.229) 7.304 8.439 ( 0.000 15.442 21.176) 26.208 9.272 ( -0.000 2.418 -1.886) 3.066 11.145 ( -0.000 16.017 -52.008) 54.419 18.780 ( 0.000 -11.450 6.925) 13.381 20.100 ( 0.000 -17.443 33.826) 38.059 ======================= Grid point 332 (117/417) ======================= q-point: ( 0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 6.803 8.050 5.806) 12.033 1.372 ( 2.153 1.430 14.824) 15.047 2.223 ( 1.015 3.254 25.666) 25.891 3.899 ( 4.237 23.086 -15.223) 27.976 5.274 ( 10.885 50.592 -10.109) 52.728 6.903 ( -10.360 -21.621 1.907) 24.051 7.544 ( 9.241 -1.680 8.046) 12.367 8.659 ( -0.642 14.661 20.778) 25.437 9.271 ( -1.962 3.814 -3.548) 5.567 11.176 ( 5.893 9.156 -43.714) 45.049 18.689 ( -1.478 -6.589 3.465) 7.590 19.998 ( -3.378 -16.777 28.745) 33.453 ======================= Grid point 333 (118/417) ======================= q-point: ( 0.38 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 3.750 0.983 10.623) 11.308 1.493 ( 6.953 4.258 3.710) 8.957 2.356 ( 2.263 1.846 21.883) 22.077 4.236 ( 8.012 30.612 -13.755) 34.504 5.968 ( 17.398 39.726 -6.709) 43.884 6.475 ( -13.008 -19.517 -0.240) 23.456 7.756 ( 12.822 -1.083 8.461) 15.400 8.847 ( -1.374 12.714 18.905) 22.824 9.269 ( -2.637 6.655 -5.054) 8.763 11.210 ( 6.304 1.247 -34.528) 35.121 18.627 ( -1.016 -2.696 0.729) 2.972 19.845 ( -5.192 -15.405 23.415) 28.505 ======================= Grid point 334 (119/417) ======================= q-point: ( 0.44 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 3.680 -0.109 5.508) 6.625 1.649 ( 5.427 2.611 2.078) 6.371 2.488 ( 3.758 0.741 17.301) 17.720 4.676 ( 6.487 37.344 -10.629) 39.366 5.966 ( -14.026 -19.488 -3.270) 24.232 6.735 ( 24.348 29.596 -3.141) 38.453 8.012 ( 13.656 -0.575 7.901) 15.787 8.996 ( -1.475 10.803 14.706) 18.307 9.274 ( -4.278 8.636 -3.855) 10.380 11.181 ( 4.387 -5.522 -26.315) 27.244 18.599 ( -0.308 -0.808 -0.832) 1.200 19.670 ( -5.719 -13.337 17.906) 23.048 ======================= Grid point 335 (120/417) ======================= q-point: ( 0.50 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 2.693 -0.651 2.175) 3.523 1.756 ( 4.036 1.647 0.185) 4.363 2.613 ( 4.547 -0.375 11.144) 12.042 5.117 ( 0.617 41.514 -6.909) 42.090 5.528 ( -12.651 -16.593 -2.428) 21.007 7.445 ( 28.796 18.546 -3.238) 34.404 8.257 ( 12.082 -0.945 6.088) 13.562 9.119 ( -0.966 10.276 8.131) 13.139 9.255 ( -6.960 7.707 0.728) 10.410 11.079 ( 2.108 -10.107 -19.254) 21.847 18.588 ( 0.077 -0.537 -1.250) 1.362 19.501 ( -5.308 -10.642 12.226) 17.056 ======================= Grid point 336 (121/417) ======================= q-point: ( 0.56 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 1.324 -0.855 0.256) 1.597 1.828 ( 2.929 1.010 -1.080) 3.281 2.699 ( 2.944 -1.752 3.827) 5.136 5.173 ( -8.347 -9.942 -3.099) 13.346 5.500 ( -6.094 41.142 0.276) 41.592 8.054 ( 24.721 7.941 -4.844) 26.412 8.453 ( 10.691 -1.706 2.398) 11.089 9.165 ( -8.306 4.880 -3.486) 10.245 9.243 ( -1.819 8.799 12.349) 15.272 10.942 ( 1.549 -11.031 -13.062) 17.167 18.582 ( 0.553 -0.870 -0.843) 1.331 19.352 ( -4.623 -7.810 6.728) 11.297 ======================= Grid point 337 (122/417) ======================= q-point: ( 0.62 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 0.027 -0.849 -0.834) 1.190 1.873 ( 1.774 0.529 -1.789) 2.574 2.687 ( -2.085 -3.164 -2.370) 4.469 5.009 ( -0.125 -5.532 -0.030) 5.534 5.755 ( -13.362 40.544 4.215) 42.897 8.334 ( 5.176 -0.827 -8.382) 9.886 8.656 ( 14.313 -4.186 -3.745) 15.376 9.004 ( -10.718 -2.300 5.452) 12.243 9.351 ( -0.995 9.977 7.222) 12.356 10.867 ( 5.948 -7.564 -7.885) 12.441 18.590 ( 1.755 -0.865 -0.060) 1.958 19.222 ( -4.324 -5.419 2.159) 7.262 ======================= Grid point 338 (123/417) ======================= q-point: (-0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -1.280 -0.785 -1.395) 2.050 1.890 ( 0.518 0.333 -2.551) 2.624 2.546 ( -8.409 -3.517 -4.206) 10.038 5.058 ( 8.789 -1.169 1.187) 8.946 5.869 ( -19.954 35.250 7.460) 41.187 8.227 ( -7.988 -7.317 -13.695) 17.461 8.682 ( 0.358 -13.998 -5.390) 15.004 8.858 ( -7.415 1.331 9.742) 12.315 9.451 ( -1.354 8.947 5.843) 10.771 10.972 ( 14.434 -3.097 -5.039) 15.598 18.632 ( 3.812 -0.316 0.725) 3.894 19.101 ( -4.586 -3.593 -0.665) 5.864 ======================= Grid point 339 (124/417) ======================= q-point: (-0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -2.908 -0.640 -1.450) 3.312 1.879 ( -1.100 0.673 -4.290) 4.480 2.316 ( -12.635 -2.528 -0.170) 12.887 5.273 ( 13.732 1.682 1.077) 13.876 5.811 ( -23.850 24.441 7.399) 34.942 7.840 ( -16.946 -15.034 -10.145) 24.822 8.487 ( -8.335 -3.122 -11.490) 14.535 8.747 ( -9.007 -3.098 14.543) 17.384 9.509 ( -2.650 5.872 3.351) 7.262 11.240 ( 18.911 -0.755 -4.935) 19.559 18.723 ( 6.270 0.154 0.357) 6.282 18.985 ( -5.104 -1.893 -0.209) 5.448 ======================= Grid point 340 (125/417) ======================= q-point: (-0.19 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -5.340 -0.000 -0.501) 5.363 1.827 ( -4.601 2.118 -8.028) 9.493 2.082 ( -12.301 -1.734 9.555) 15.672 5.397 ( -18.815 7.911 3.059) 20.638 5.725 ( 9.149 2.666 -0.055) 9.529 7.318 ( -24.410 -9.746 -3.548) 26.522 8.252 ( -14.191 4.938 -14.446) 20.843 8.596 ( -8.574 -6.230 17.681) 20.614 9.498 ( -3.824 1.877 0.509) 4.290 11.549 ( 17.697 0.648 -6.738) 18.947 18.807 ( 1.796 -1.745 -10.431) 10.727 18.934 ( 1.258 1.640 13.038) 13.201 ======================= Grid point 341 (126/417) ======================= q-point: (-0.12 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -8.559 2.056 3.163) 9.354 1.697 ( -10.327 3.698 -5.920) 12.464 1.936 ( -7.537 -1.812 15.127) 16.997 4.927 ( -30.045 -5.666 -4.193) 30.861 6.051 ( 22.278 -1.053 -1.458) 22.351 6.779 ( -33.235 4.139 0.327) 33.493 8.018 ( -13.973 6.521 -8.139) 17.436 8.439 ( -9.046 -5.457 16.173) 19.318 9.419 ( -4.424 -2.129 -2.446) 5.485 11.810 ( 13.390 1.953 -10.505) 17.131 18.727 ( -3.408 -0.815 -7.303) 8.100 19.104 ( 8.284 1.487 15.045) 17.239 ======================= Grid point 342 (127/417) ======================= q-point: (-0.06 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -10.432 5.209 10.447) 15.656 1.523 ( -12.394 3.176 1.733) 12.911 1.853 ( -6.647 -0.968 15.221) 16.638 4.290 ( -26.588 -12.915 -12.502) 32.094 6.228 ( -40.936 15.659 -0.896) 43.838 6.426 ( 22.710 -3.246 -1.075) 22.966 7.859 ( -10.123 6.479 1.863) 12.162 8.275 ( -10.553 -2.924 13.941) 17.728 9.290 ( -4.308 -5.018 -5.528) 8.620 11.975 ( 7.439 2.976 -17.194) 18.970 18.650 ( -2.603 0.136 -2.680) 3.739 19.330 ( 9.744 0.110 18.864) 21.232 ======================= Grid point 348 (128/417) ======================= q-point: ( 0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 0.000 7.012 5.286) 8.782 1.410 ( 0.000 0.365 13.176) 13.181 2.320 ( 0.000 1.877 22.039) 22.119 4.011 ( -0.000 20.432 -14.228) 24.898 5.707 ( -0.000 53.936 -7.558) 54.463 6.776 ( 0.000 -23.050 0.449) 23.055 7.469 ( 0.000 -0.680 7.820) 7.849 8.882 ( 0.000 14.055 20.153) 24.570 9.301 ( -0.000 1.901 -2.430) 3.085 11.079 ( -0.000 8.417 -40.471) 41.337 18.652 ( 0.000 -4.485 1.770) 4.822 19.942 ( 0.000 -17.559 25.494) 30.956 ======================= Grid point 349 (129/417) ======================= q-point: ( 0.38 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 5.047 4.560 4.479) 8.144 1.464 ( 1.619 -0.266 9.964) 10.098 2.409 ( 0.960 0.699 18.358) 18.396 4.271 ( 10.516 22.447 -13.315) 28.138 6.202 ( 1.359 30.399 -4.644) 30.782 6.501 ( -7.037 -3.561 -1.311) 7.995 7.576 ( 9.047 -0.599 7.972) 12.073 9.064 ( -1.866 12.033 17.598) 21.400 9.322 ( 0.819 3.325 -2.132) 4.034 11.043 ( 2.381 3.600 -34.078) 34.350 18.618 ( -0.481 -1.882 0.179) 1.950 19.822 ( -2.464 -16.854 21.421) 27.368 ======================= Grid point 350 (130/417) ======================= q-point: ( 0.44 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 2.680 -0.665 6.093) 6.689 1.586 ( 5.563 2.436 3.201) 6.865 2.493 ( 2.118 -0.303 14.426) 14.584 4.734 ( 18.018 26.312 -11.685) 33.963 5.978 ( -11.407 -20.562 -3.059) 23.712 6.826 ( 5.178 38.984 -1.265) 39.347 7.801 ( 12.897 0.559 7.365) 14.863 9.178 ( -2.374 9.573 9.840) 13.932 9.384 ( 0.139 6.140 2.666) 6.695 10.987 ( 2.128 -2.712 -27.071) 27.289 18.598 ( -0.498 -0.248 -0.882) 1.043 19.668 ( -3.781 -14.977 16.871) 22.874 ======================= Grid point 351 (131/417) ======================= q-point: ( 0.50 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 2.878 -0.943 2.833) 4.147 1.700 ( 4.422 1.387 1.554) 4.888 2.573 ( 3.168 -1.157 9.873) 10.433 5.316 ( 17.394 31.276 -9.787) 37.102 5.562 ( -11.604 -17.372 -2.181) 21.004 7.295 ( 11.100 25.304 0.053) 27.631 8.061 ( 12.350 1.360 5.960) 13.781 9.259 ( -1.356 9.435 1.664) 9.676 9.442 ( -3.571 6.472 8.323) 11.132 10.880 ( 1.403 -8.364 -20.558) 22.238 18.585 ( -0.539 0.069 -1.221) 1.337 19.508 ( -4.051 -12.153 12.007) 17.557 ======================= Grid point 352 (132/417) ======================= q-point: ( 0.56 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 2.240 -0.997 0.688) 2.547 1.782 ( 3.319 0.921 0.146) 3.448 2.640 ( 3.149 -1.820 4.726) 5.964 5.203 ( -9.409 -12.371 -2.637) 15.764 5.897 ( 9.680 37.025 -4.099) 38.489 7.722 ( 17.326 9.296 -1.242) 19.702 8.280 ( 9.319 0.358 4.036) 10.162 9.319 ( -3.055 8.724 -6.731) 11.435 9.447 ( -6.164 5.831 15.250) 17.451 10.746 ( 1.959 -11.089 -14.700) 18.517 18.571 ( -0.429 -0.370 -0.910) 1.071 19.365 ( -3.755 -8.865 7.184) 12.012 ======================= Grid point 353 (133/417) ======================= q-point: ( 0.62 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 1.140 -0.810 -0.383) 1.450 1.838 ( 2.320 0.632 -0.805) 2.536 2.667 ( 0.818 -2.132 0.149) 2.289 4.977 ( -3.899 -7.275 -0.723) 8.286 6.352 ( -3.161 40.866 0.918) 40.998 8.046 ( 17.607 -6.648 -5.805) 19.695 8.422 ( 6.933 -1.658 1.625) 7.312 9.229 ( -11.137 3.045 -0.737) 11.569 9.497 ( -1.979 8.329 9.634) 12.888 10.655 ( 4.914 -9.161 -9.567) 14.128 18.561 ( 0.393 -0.696 -0.326) 0.863 19.244 ( -3.553 -5.785 3.156) 7.487 ======================= Grid point 354 (134/417) ======================= q-point: (-0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -0.123 -0.464 -0.718) 0.864 1.872 ( 1.274 0.510 -1.456) 2.001 2.618 ( -3.842 -1.681 -1.713) 4.530 4.923 ( 3.809 -3.067 0.366) 4.905 6.592 ( -16.489 36.997 5.123) 40.827 8.109 ( 5.717 -16.306 -10.571) 20.256 8.505 ( 5.048 -4.186 -0.899) 6.619 9.056 ( -10.482 1.458 5.388) 11.875 9.574 ( -1.345 6.667 4.853) 8.355 10.694 ( 10.599 -4.372 -5.745) 12.824 18.575 ( 2.136 -0.552 0.036) 2.207 19.141 ( -3.748 -3.241 0.854) 5.028 ======================= Grid point 355 (135/417) ======================= q-point: (-0.25 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( -1.471 0.042 -0.470) 1.545 1.884 ( 0.106 0.709 -2.210) 2.323 2.493 ( -8.716 -0.308 0.536) 8.738 5.041 ( 11.300 -0.815 0.074) 11.330 6.521 ( -26.575 19.116 4.194) 33.003 7.907 ( -7.335 -10.200 -7.045) 14.404 8.500 ( -0.588 -1.853 -4.402) 4.812 8.926 ( -8.516 -1.033 8.788) 12.281 9.602 ( -2.063 2.382 0.993) 3.304 10.899 ( 16.737 -0.318 -4.116) 17.238 18.627 ( 4.269 -0.363 -0.579) 4.323 19.054 ( -3.997 -1.023 1.380) 4.350 ======================= Grid point 356 (136/417) ======================= q-point: (-0.19 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -2.910 0.860 0.517) 3.079 1.874 ( -1.434 1.394 -3.547) 4.072 2.326 ( -11.746 1.245 6.609) 13.535 5.281 ( 16.092 -0.556 -0.702) 16.117 6.082 ( -30.149 -5.251 -2.527) 30.707 7.660 ( -17.199 6.210 1.858) 18.380 8.428 ( -5.877 3.393 -10.168) 12.224 8.771 ( -10.337 -4.016 14.398) 18.174 9.555 ( -3.018 -2.187 -2.329) 4.395 11.213 ( 18.943 1.795 -4.985) 19.670 18.699 ( 4.687 -0.853 -4.254) 6.387 19.005 ( -2.448 1.227 6.966) 7.485 ======================= Grid point 357 (137/417) ======================= q-point: (-0.12 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -4.352 2.116 2.557) 5.473 1.833 ( -4.043 2.728 -5.334) 7.228 2.166 ( -11.986 1.900 15.146) 19.408 5.311 ( -25.783 -15.902 -5.317) 30.755 5.666 ( 15.036 -4.295 -5.055) 16.434 7.420 ( -25.905 17.048 5.235) 31.450 8.288 ( -11.652 6.522 -10.126) 16.758 8.604 ( -9.322 -4.601 18.139) 20.906 9.441 ( -3.826 -5.682 -5.029) 8.498 11.535 ( 16.808 2.688 -7.896) 18.764 18.716 ( 0.609 -0.836 -7.997) 8.064 19.068 ( 3.533 1.956 14.611) 15.159 ======================= Grid point 358 (138/417) ======================= q-point: (-0.06 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -5.510 3.471 5.468) 8.504 1.747 ( -7.908 4.243 -4.153) 9.889 2.055 ( -9.845 1.748 22.059) 24.219 4.573 ( -28.546 -19.174 -12.549) 36.606 5.980 ( 22.340 -4.177 -3.482) 22.992 7.101 ( -35.136 22.575 1.390) 41.787 8.119 ( -11.540 5.460 1.562) 12.862 8.473 ( -8.951 -1.185 14.844) 17.374 9.281 ( -4.144 -7.316 -7.493) 11.263 11.784 ( 11.889 2.712 -12.828) 17.699 18.675 ( -1.542 0.167 -5.943) 6.142 19.239 ( 7.641 0.379 18.389) 19.917 ======================= Grid point 365 (139/417) ======================= q-point: ( 0.38 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 0.000 3.699 4.077) 5.505 1.476 ( 0.000 -0.927 8.740) 8.789 2.458 ( 0.000 -0.349 14.850) 14.854 4.331 ( -0.000 19.469 -12.634) 23.209 6.203 ( 0.000 -19.201 -2.832) 19.409 6.822 ( -0.000 45.681 -2.884) 45.772 7.510 ( 0.000 -0.649 8.168) 8.193 9.263 ( 0.000 10.991 17.107) 20.334 9.318 ( -0.000 1.498 -2.642) 3.037 10.954 ( -0.000 2.713 -30.051) 30.173 18.609 ( -0.000 -0.414 -0.543) 0.683 19.739 ( 0.000 -16.759 18.488) 24.953 ======================= Grid point 366 (140/417) ======================= q-point: ( 0.44 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 1.283 -1.193 6.193) 6.436 1.533 ( 3.955 2.107 3.592) 5.743 2.502 ( 0.925 -1.196 11.420) 11.520 4.612 ( 14.457 18.988 -11.550) 26.513 5.918 ( -6.601 -20.834 -3.186) 22.086 7.233 ( -3.646 39.380 -0.247) 39.549 7.637 ( 10.100 3.460 6.758) 12.635 9.310 ( -1.313 4.339 -0.121) 4.535 9.441 ( 1.926 7.072 12.083) 14.132 10.872 ( -0.447 -0.990 -24.378) 24.402 18.605 ( -0.401 0.715 -1.116) 1.385 19.615 ( -1.715 -15.255 14.916) 21.404 ======================= Grid point 367 (141/417) ======================= q-point: ( 0.50 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 2.173 -1.350 3.762) 4.549 1.639 ( 4.692 1.064 2.344) 5.352 2.544 ( 1.892 -1.779 7.999) 8.410 5.130 ( 25.505 19.702 -10.205) 33.806 5.567 ( -9.555 -16.949 -2.662) 19.638 7.496 ( -0.762 21.349 3.718) 21.684 7.927 ( 9.773 11.699 3.624) 15.669 9.350 ( 0.310 6.016 -2.784) 6.636 9.562 ( -0.002 5.307 12.075) 13.190 10.746 ( -1.800 -5.572 -18.677) 19.573 18.599 ( -0.874 0.945 -1.285) 1.819 19.478 ( -2.502 -12.556 10.888) 16.806 ======================= Grid point 368 (142/417) ======================= q-point: ( 0.56 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 2.467 -1.166 1.677) 3.203 1.729 ( 3.936 0.592 1.155) 4.144 2.586 ( 2.588 -1.998 4.532) 5.589 5.238 ( -9.370 -11.483 -2.732) 15.071 5.810 ( 29.664 21.530 -6.911) 37.299 7.685 ( 2.389 9.975 4.267) 11.109 8.187 ( 6.029 9.047 2.588) 11.175 9.410 ( -0.239 7.167 -5.609) 9.104 9.627 ( -2.640 3.868 12.565) 13.409 10.585 ( -1.419 -8.720 -13.379) 16.033 18.583 ( -1.249 0.448 -0.961) 1.639 19.352 ( -2.575 -9.104 6.704) 11.595 ======================= Grid point 369 (143/417) ======================= q-point: ( 0.62 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 2.047 -0.728 0.442) 2.217 1.797 ( 2.976 0.428 0.227) 3.015 2.621 ( 2.286 -1.702 1.433) 3.190 4.997 ( -6.659 -6.456 -1.128) 9.343 6.527 ( 25.246 26.333 -3.963) 36.695 7.783 ( 2.270 -2.803 2.107) 4.177 8.338 ( 3.866 2.911 1.904) 5.200 9.409 ( -5.687 4.662 -5.720) 9.316 9.647 ( -3.235 3.750 10.609) 11.708 10.467 ( 2.438 -7.366 -8.131) 11.239 18.562 ( -0.999 -0.095 -0.394) 1.078 19.250 ( -2.475 -5.619 3.042) 6.853 ======================= Grid point 370 (144/417) ======================= q-point: ( 0.69 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 1.084 -0.173 0.006) 1.097 1.845 ( 2.041 0.408 -0.379) 2.115 2.634 ( 0.206 -0.725 -0.209) 0.782 4.875 ( -1.653 -2.402 -0.108) 2.918 7.136 ( 4.786 34.887 1.817) 35.261 7.704 ( 6.367 -22.876 -3.561) 24.011 8.418 ( 3.513 -0.000 0.661) 3.575 9.272 ( -10.849 1.102 -0.236) 10.907 9.659 ( -1.690 1.588 3.650) 4.324 10.486 ( 7.139 -1.708 -3.440) 8.107 18.551 ( 0.197 -0.206 -0.042) 0.288 19.170 ( -2.582 -2.665 0.790) 3.794 ======================= Grid point 371 (145/417) ======================= q-point: (-0.25 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -0.081 0.393 0.126) 0.421 1.875 ( 1.094 0.577 -0.823) 1.486 2.608 ( -3.482 0.956 0.763) 3.690 4.890 ( 4.761 -0.193 -0.164) 4.768 7.080 ( -24.992 -5.582 0.728) 25.619 7.822 ( 12.825 8.044 -1.582) 15.221 8.468 ( 2.091 0.163 -1.291) 2.463 9.089 ( -9.664 -1.836 4.290) 10.732 9.630 ( -1.478 -2.824 -1.514) 3.529 10.650 ( 11.355 2.873 -1.220) 11.776 18.568 ( 1.989 -0.061 -0.308) 2.014 19.110 ( -2.734 -0.323 0.686) 2.837 ======================= Grid point 372 (146/417) ======================= q-point: (-0.19 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -1.156 0.961 0.705) 1.660 1.889 ( 0.041 0.990 -1.396) 1.712 2.540 ( -7.398 2.957 4.581) 9.190 5.028 ( 10.963 0.037 -1.118) 11.020 6.433 ( -27.661 -24.779 -4.210) 37.375 8.040 ( -7.209 20.789 5.436) 22.665 8.488 ( -0.590 3.299 -4.608) 5.698 8.930 ( -7.489 -4.130 8.264) 11.893 9.541 ( -1.947 -6.549 -4.809) 8.355 10.920 ( 15.465 4.066 -2.015) 16.117 18.613 ( 3.304 -0.087 -1.703) 3.718 19.077 ( -2.156 1.449 3.368) 4.254 ======================= Grid point 373 (147/417) ======================= q-point: (-0.12 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -2.000 1.521 1.782) 3.080 1.886 ( -1.300 1.652 -2.335) 3.141 2.447 ( -10.171 4.619 10.604) 15.403 5.247 ( 13.800 -2.219 -1.494) 14.057 5.643 ( -26.687 -27.958 -8.475) 39.569 8.036 ( -18.523 20.602 7.785) 28.778 8.471 ( -5.520 6.683 -7.610) 11.535 8.791 ( -8.761 -2.491 13.968) 16.675 9.403 ( -2.527 -8.715 -6.995) 11.457 11.238 ( 17.160 3.283 -4.893) 18.143 18.657 ( 2.591 -0.164 -4.147) 4.893 19.098 ( 0.431 2.155 8.665) 8.940 ======================= Grid point 374 (148/417) ======================= q-point: (-0.06 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -2.655 1.946 3.311) 4.669 1.859 ( -3.172 2.542 -3.387) 5.291 2.356 ( -11.133 5.477 17.785) 21.686 4.806 ( -27.126 -24.437 -9.379) 37.696 5.554 ( 19.154 -4.110 -4.845) 20.181 7.883 ( -25.644 21.810 3.132) 33.810 8.367 ( -10.260 4.339 -0.685) 11.161 8.679 ( -9.099 2.159 15.043) 17.713 9.236 ( -3.126 -8.921 -8.529) 12.732 11.530 ( 15.107 1.768 -9.118) 17.733 18.667 ( 0.430 0.257 -5.138) 5.162 19.196 ( 4.351 1.001 13.813) 14.517 ======================= Grid point 382 (149/417) ======================= q-point: ( 0.44 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 0.000 -1.769 6.128) 6.378 1.526 ( 0.000 1.614 2.815) 3.245 2.512 ( 0.000 -1.824 8.574) 8.766 4.611 ( -0.000 15.514 -10.775) 18.889 5.763 ( 0.000 -18.866 -3.269) 19.147 7.549 ( 0.000 -1.022 8.184) 8.247 7.711 ( -0.000 39.910 -1.116) 39.926 9.328 ( -0.000 1.241 -2.547) 2.834 9.549 ( 0.000 7.527 11.760) 13.962 10.795 ( -0.000 -1.789 -19.100) 19.184 18.617 ( -0.000 1.519 -1.347) 2.030 19.525 ( 0.000 -14.134 12.235) 18.694 ======================= Grid point 383 (150/417) ======================= q-point: ( 0.50 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 1.038 -1.773 4.648) 5.082 1.581 ( 3.487 0.716 2.398) 4.292 2.524 ( 0.861 -2.128 5.989) 6.414 4.873 ( 16.799 13.471 -9.557) 23.559 5.531 ( -5.373 -14.514 -2.725) 15.715 7.593 ( 2.948 0.434 7.767) 8.319 8.080 ( 0.472 29.908 -0.001) 29.912 9.353 ( 2.147 2.152 -2.783) 4.122 9.649 ( -0.025 5.170 8.137) 9.641 10.691 ( -2.647 -3.737 -12.955) 13.740 18.623 ( -0.716 1.695 -1.341) 2.277 19.418 ( -1.039 -11.725 8.962) 14.794 ======================= Grid point 384 (151/417) ======================= q-point: ( 0.56 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 1.948 -1.409 3.007) 3.850 1.664 ( 4.361 0.162 1.727) 4.693 2.541 ( 1.720 -2.085 3.595) 4.498 5.274 ( -5.916 -7.357 -4.380) 10.408 5.401 ( 28.237 10.196 -5.105) 30.452 7.698 ( 5.001 0.297 7.129) 8.714 8.316 ( -2.053 18.476 1.079) 18.621 9.424 ( 3.211 3.776 -3.665) 6.165 9.703 ( -0.281 1.905 4.236) 4.654 10.546 ( -5.039 -4.380 -6.320) 9.193 18.614 ( -1.538 1.212 -0.921) 2.164 19.318 ( -1.380 -8.370 5.305) 10.005 ======================= Grid point 385 (152/417) ======================= q-point: ( 0.62 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 2.365 -0.766 1.698) 3.010 1.742 ( 3.814 -0.020 1.050) 3.956 2.567 ( 2.423 -1.658 1.417) 3.260 5.070 ( -7.817 -3.521 -1.183) 8.654 6.088 ( 37.529 9.591 -5.054) 39.063 7.788 ( 1.858 -0.994 5.951) 6.313 8.393 ( -3.617 6.688 1.922) 7.843 9.486 ( -0.187 4.097 -5.417) 6.794 9.707 ( -0.000 -2.054 0.731) 2.180 10.418 ( -3.937 -1.153 0.580) 4.143 18.590 ( -1.927 0.573 -0.235) 2.024 19.238 ( -1.385 -4.779 1.837) 5.304 ======================= Grid point 386 (153/417) ======================= q-point: (-0.31 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 2.064 -0.083 0.868) 2.241 1.804 ( 2.955 0.007 0.596) 3.015 2.600 ( 2.521 -0.785 -0.154) 2.645 4.932 ( -5.821 0.579 -0.037) 5.850 6.823 ( 38.195 2.577 -3.291) 38.423 7.729 ( -9.253 -1.898 4.336) 10.394 8.386 ( -0.030 -0.188 1.910) 1.920 9.432 ( -6.797 1.353 -6.376) 9.417 9.670 ( -0.289 -5.022 -0.139) 5.032 10.421 ( 1.279 4.892 4.309) 6.643 18.563 ( -1.416 0.337 0.287) 1.484 19.183 ( -1.449 -1.711 -0.598) 2.320 ======================= Grid point 387 (154/417) ======================= q-point: (-0.25 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 1.206 0.437 0.464) 1.364 1.850 ( 2.095 0.199 0.330) 2.130 2.634 ( 1.414 0.583 -0.390) 1.578 4.880 ( -2.140 2.889 0.364) 3.614 7.108 ( 0.218 -33.300 -0.968) 33.315 7.762 ( 11.616 24.255 2.039) 26.970 8.418 ( 3.183 -0.598 0.966) 3.380 9.255 ( -10.418 -1.966 -3.001) 11.018 9.593 ( -1.144 -7.099 -1.542) 7.354 10.565 ( 5.056 8.310 3.985) 10.512 18.554 ( -0.117 0.523 0.354) 0.642 19.148 ( -1.566 0.514 -1.381) 2.150 ======================= Grid point 388 (155/417) ======================= q-point: (-0.19 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 0.240 0.759 0.443) 0.911 1.884 ( 1.209 0.552 0.022) 1.329 2.655 ( -1.057 2.361 1.307) 2.898 4.917 ( 2.749 3.156 -0.151) 4.188 6.521 ( -19.502 -36.979 -1.794) 41.845 8.265 ( 10.285 20.615 4.148) 23.409 8.489 ( 4.352 4.187 -1.289) 6.175 9.031 ( -9.597 -5.597 1.256) 11.181 9.477 ( -1.947 -8.801 -3.644) 9.723 10.773 ( 7.701 8.087 2.029) 11.350 18.573 ( 1.317 0.764 -0.147) 1.530 19.131 ( -1.364 1.876 -0.244) 2.332 ======================= Grid point 389 (156/417) ======================= q-point: (-0.12 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -0.498 0.957 0.835) 1.364 1.904 ( 0.200 1.011 -0.555) 1.170 2.652 ( -4.198 4.199 4.908) 7.704 5.034 ( 7.859 1.506 -1.145) 8.084 5.748 ( -23.880 -35.905 -3.998) 43.306 8.423 ( -3.825 6.345 3.529) 8.206 8.660 ( -7.227 16.376 -0.320) 17.902 8.883 ( 1.087 -2.878 5.762) 6.531 9.325 ( -2.691 -9.732 -5.710) 11.600 11.009 ( 11.205 5.345 -1.133) 12.467 18.609 ( 1.971 0.812 -1.243) 2.468 19.140 ( -0.269 2.268 2.782) 3.600 ======================= Grid point 390 (157/417) ======================= q-point: (-0.06 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -0.982 1.069 1.638) 2.189 1.906 ( -1.030 1.518 -1.431) 2.327 2.628 ( -6.904 5.570 9.806) 13.223 4.960 ( -23.309 -28.459 -4.080) 37.012 5.222 ( 12.165 -2.276 -4.631) 13.215 8.384 ( -10.432 8.992 3.055) 14.107 8.560 ( -8.885 1.428 1.760) 9.169 8.951 ( -7.530 12.314 8.504) 16.753 9.159 ( -2.196 -9.241 -7.666) 12.205 11.257 ( 13.692 1.673 -5.263) 14.764 18.641 ( 1.315 0.757 -2.473) 2.901 19.190 ( 2.005 1.406 6.982) 7.399 ======================= Grid point 399 (158/417) ======================= q-point: ( 0.50 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 0.000 -2.009 5.213) 5.587 1.560 ( 0.000 0.304 1.773) 1.799 2.511 ( 0.000 -2.191 4.084) 4.634 4.805 ( -0.000 9.813 -8.505) 12.986 5.443 ( 0.000 -10.115 -2.292) 10.371 7.574 ( 0.000 -1.814 7.755) 7.965 8.366 ( -0.000 23.653 0.691) 23.663 9.335 ( -0.000 1.033 -2.310) 2.530 9.713 ( 0.000 3.421 1.822) 3.876 10.655 ( -0.000 -2.563 -5.468) 6.039 18.645 ( -0.000 1.933 -1.176) 2.262 19.343 ( 0.000 -9.657 6.283) 11.521 ======================= Grid point 400 (159/417) ======================= q-point: ( 0.56 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 0.945 -1.673 4.373) 4.776 1.598 ( 3.380 -0.277 1.634) 3.764 2.507 ( 0.833 -2.038 2.240) 3.141 5.023 ( 17.735 6.783 -7.335) 20.356 5.321 ( -4.327 -4.481 -0.989) 6.307 7.619 ( 4.282 -2.206 7.214) 8.675 8.534 ( -2.517 12.232 2.042) 12.654 9.371 ( 3.589 1.349 -2.261) 4.451 9.720 ( -0.678 -0.133 -5.117) 5.163 10.602 ( -3.803 0.101 2.556) 4.583 18.650 ( -1.094 1.520 -0.571) 1.958 19.271 ( -0.463 -6.549 2.963) 7.203 ======================= Grid point 401 (160/417) ======================= q-point: (-0.38 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 1.971 -1.054 3.018) 3.755 1.670 ( 4.395 -0.601 1.505) 4.684 2.515 ( 1.774 -1.766 0.334) 2.525 5.185 ( -6.661 1.173 -1.599) 6.950 5.510 ( 31.303 2.907 -3.559) 31.638 7.711 ( 5.785 -2.837 6.159) 8.914 8.535 ( -5.275 0.125 3.351) 6.251 9.460 ( 4.760 1.736 -2.155) 5.506 9.653 ( -0.907 -4.235 -11.255) 12.060 10.555 ( -6.139 4.695 9.458) 12.214 18.634 ( -2.033 0.830 0.367) 2.226 19.217 ( -0.555 -3.043 -0.513) 3.136 ======================= Grid point 402 (161/417) ======================= q-point: (-0.31 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 2.528 -0.405 1.697) 3.071 1.743 ( 4.000 -0.646 1.377) 4.279 2.537 ( 2.865 -1.419 -1.563) 3.558 5.085 ( -7.866 5.255 0.221) 9.462 6.123 ( 37.533 -3.938 -1.966) 37.791 7.770 ( 1.915 -4.147 4.405) 6.346 8.410 ( -4.084 -7.080 3.643) 8.949 9.492 ( -2.838 -0.021 -11.766) 12.103 9.574 ( 3.273 -6.161 -2.945) 7.572 10.563 ( -4.760 9.489 12.162) 16.144 18.604 ( -2.221 0.514 1.162) 2.559 19.185 ( -0.638 -0.060 -3.280) 3.342 ======================= Grid point 403 (162/417) ======================= q-point: (-0.25 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 2.310 0.089 0.592) 2.386 1.806 ( 3.251 -0.483 1.380) 3.564 2.577 ( 3.864 -0.950 -3.057) 5.018 5.021 ( -7.117 7.746 1.184) 10.586 6.582 ( 23.281 -23.052 0.979) 32.778 7.769 ( 4.753 1.420 1.101) 5.082 8.348 ( 3.008 -4.740 3.020) 6.375 9.343 ( -5.166 -4.017 -14.655) 16.050 9.544 ( -1.215 -6.090 3.723) 7.240 10.665 ( -1.111 12.638 10.237) 16.302 18.580 ( -1.544 0.758 1.507) 2.287 19.169 ( -0.779 1.891 -4.706) 5.131 ======================= Grid point 404 (163/417) ======================= q-point: (-0.19 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 1.540 0.342 -0.102) 1.581 1.857 ( 2.429 -0.130 1.301) 2.759 2.631 ( 4.184 -0.244 -3.540) 5.486 5.000 ( -5.041 8.362 1.489) 9.876 6.365 ( -7.193 -39.693 2.208) 40.400 8.105 ( 23.062 8.029 -0.513) 24.426 8.412 ( 5.994 -0.502 1.723) 6.257 9.142 ( -7.667 -4.744 -10.360) 13.734 9.436 ( -4.002 -8.006 4.070) 9.832 10.826 ( 0.705 13.058 6.960) 14.814 18.578 ( -0.401 1.225 1.394) 1.898 19.164 ( -0.753 2.777 -4.585) 5.413 ======================= Grid point 405 (164/417) ======================= q-point: (-0.12 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 0.751 0.414 -0.273) 0.900 1.896 ( 1.495 0.320 0.853) 1.751 2.690 ( 3.266 0.772 -2.528) 4.201 5.023 ( -1.819 7.044 1.073) 7.354 5.722 ( -17.563 -40.082 1.171) 43.777 8.429 ( 6.308 -0.171 1.556) 6.499 8.672 ( 19.371 3.488 -1.697) 19.755 8.934 ( -8.293 1.046 -4.108) 9.314 9.284 ( -4.424 -8.900 1.936) 10.126 10.985 ( 1.371 10.835 3.705) 11.532 18.598 ( 0.574 1.505 0.869) 1.830 19.169 ( -0.252 2.690 -2.939) 3.992 ======================= Grid point 406 (165/417) ======================= q-point: (-0.06 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 0.232 0.402 0.000) 0.464 1.920 ( 0.429 0.743 0.000) 0.858 2.739 ( 1.123 1.944 -0.000) 2.245 5.018 ( -19.001 -32.911 -0.000) 38.003 5.085 ( 2.257 3.910 0.000) 4.515 8.500 ( 1.265 2.192 0.000) 2.531 8.674 ( -4.683 -8.111 -0.000) 9.365 9.089 ( 2.095 3.628 -0.000) 4.189 9.141 ( 1.026 1.777 -0.000) 2.052 11.120 ( 3.615 6.262 -0.000) 7.230 18.628 ( 0.807 1.398 0.000) 1.614 19.192 ( 0.976 1.690 -0.000) 1.952 ======================= Grid point 417 (166/417) ======================= q-point: (-0.44 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 0.000 -1.849 5.304) 5.617 1.565 ( 0.000 -0.696 0.937) 1.167 2.485 ( 0.000 -1.952 0.559) 2.030 4.890 ( -0.000 3.285 -5.963) 6.808 5.340 ( -0.000 1.092 -0.608) 1.250 7.577 ( 0.000 -2.804 6.894) 7.442 8.632 ( 0.000 0.269 3.513) 3.524 9.339 ( -0.000 0.811 -2.014) 2.171 9.683 ( -0.000 -3.034 -11.558) 11.950 10.681 ( 0.000 4.470 9.596) 10.586 18.674 ( -0.000 1.116 0.329) 1.163 19.226 ( 0.000 -3.660 -0.295) 3.672 ======================= Grid point 418 (167/417) ======================= q-point: (-0.38 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 0.947 -1.621 4.152) 4.557 1.593 ( 3.576 -1.220 1.250) 3.980 2.471 ( 0.881 -1.969 -1.521) 2.639 5.048 ( 17.460 -0.233 -4.933) 18.145 5.341 ( -3.930 6.351 0.853) 7.517 7.606 ( 4.098 -3.365 6.082) 8.069 8.560 ( -2.620 -12.120 4.758) 13.282 9.377 ( 4.019 0.513 -1.613) 4.360 9.584 ( -1.205 -4.879 -15.783) 16.563 10.752 ( -3.734 7.995 14.391) 16.881 18.673 ( -1.250 0.280 1.637) 2.078 19.198 ( -0.149 -0.242 -3.996) 4.007 ======================= Grid point 419 (168/417) ======================= q-point: (-0.31 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 2.243 -1.243 2.221) 3.392 1.660 ( 4.755 -1.494 1.739) 5.279 2.466 ( 2.032 -2.173 -3.980) 4.970 5.291 ( -3.397 8.900 -1.962) 9.726 5.476 ( 26.053 -4.177 1.033) 26.406 7.667 ( 4.612 -5.416 4.392) 8.360 8.356 ( -2.580 -19.289 5.165) 20.134 9.432 ( 0.614 -6.622 -12.537) 14.192 9.474 ( 2.645 0.225 -5.639) 6.233 10.814 ( -5.566 10.681 16.703) 20.593 18.651 ( -1.969 -0.192 2.741) 3.380 19.188 ( -0.336 2.628 -7.179) 7.652 ======================= Grid point 420 (169/417) ======================= q-point: (-0.25 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 3.021 -0.822 0.453) 3.164 1.734 ( 4.529 -1.481 2.129) 5.219 2.474 ( 3.654 -2.554 -6.587) 7.953 5.277 ( -8.987 12.811 1.078) 15.686 5.908 ( 29.233 -16.854 1.990) 33.802 7.647 ( 2.797 -11.453 1.201) 11.850 8.211 ( 4.661 -12.669 4.952) 14.379 9.279 ( -1.881 -7.537 -17.961) 19.569 9.518 ( 1.394 -2.620 2.357) 3.790 10.899 ( -4.528 13.317 15.866) 21.203 18.625 ( -1.879 0.057 3.300) 3.798 19.188 ( -0.627 4.265 -9.173) 10.135 ======================= Grid point 421 (170/417) ======================= q-point: (-0.19 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 2.874 -0.453 -0.870) 3.036 1.802 ( 3.894 -1.202 2.470) 4.765 2.501 ( 5.678 -2.995 -8.854) 10.937 5.253 ( -9.558 13.556 2.082) 16.717 5.996 ( 6.870 -35.000 5.261) 36.053 7.712 ( 19.525 -7.364 -2.323) 20.997 8.271 ( 8.619 -4.447 3.992) 10.488 9.102 ( -2.145 -8.355 -17.221) 19.260 9.467 ( -3.800 -5.706 6.119) 9.189 11.030 ( -2.870 15.195 12.539) 19.909 18.613 ( -1.205 0.711 3.385) 3.663 19.189 ( -0.794 4.637 -9.799) 10.869 ======================= Grid point 422 (171/417) ======================= q-point: (-0.12 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 2.122 -0.287 -1.530) 2.632 1.861 ( 2.987 -0.679 2.333) 3.851 2.554 ( 7.529 -3.278 -10.097) 13.014 5.230 ( -8.858 12.055 2.007) 15.094 5.565 ( -10.093 -40.466 6.667) 42.235 8.091 ( 27.302 -6.331 -2.784) 28.164 8.421 ( 10.231 -0.839 2.089) 10.476 8.935 ( -0.647 -7.126 -14.659) 16.312 9.327 ( -6.734 -7.235 7.946) 12.681 11.169 ( -3.446 15.072 8.753) 17.767 18.620 ( -0.411 1.305 3.106) 3.394 19.188 ( -0.577 3.946 -9.045) 9.885 ======================= Grid point 434 (172/417) ======================= q-point: (-0.38 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 0.000 -2.328 4.850) 5.380 1.544 ( 0.000 -1.775 0.223) 1.789 2.432 ( -0.000 -2.334 -3.970) 4.605 4.856 ( -0.000 -3.487 -3.729) 5.105 5.476 ( -0.000 11.878 0.817) 11.906 7.554 ( 0.000 -3.550 5.881) 6.869 8.414 ( 0.000 -24.068 5.611) 24.714 9.341 ( -0.000 0.559 -1.704) 1.793 9.484 ( -0.000 -5.915 -17.611) 18.577 10.929 ( 0.000 9.350 17.920) 20.212 18.690 ( 0.000 -0.850 3.298) 3.406 19.194 ( -0.000 3.189 -8.054) 8.663 ======================= Grid point 435 (173/417) ======================= q-point: (-0.31 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 1.057 -2.518 2.520) 3.716 1.564 ( 4.100 -2.460 1.212) 4.933 2.396 ( 0.939 -2.916 -6.878) 7.529 4.945 ( 16.811 -7.327 -2.705) 18.536 5.577 ( -4.891 15.576 1.617) 16.406 7.561 ( 2.490 -5.190 4.846) 7.524 8.140 ( 0.094 -30.934 6.060) 31.522 9.328 ( -0.977 -5.883 -13.680) 14.923 9.393 ( 3.443 -1.027 -6.172) 7.141 11.061 ( -3.162 9.888 20.364) 22.857 18.681 ( -0.955 -1.593 4.563) 4.926 19.206 ( -0.332 6.031 -11.585) 13.065 ======================= Grid point 436 (174/417) ======================= q-point: (-0.25 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 2.900 -2.386 -0.033) 3.755 1.630 ( 5.514 -2.785 2.129) 6.534 2.361 ( 2.216 -3.718 -10.073) 10.963 5.224 ( 24.871 -12.978 -1.291) 28.083 5.633 ( -7.848 16.259 3.239) 18.343 7.475 ( -1.013 -19.729 2.577) 19.922 7.955 ( 8.311 -18.501 6.232) 21.218 9.165 ( -1.792 -8.691 -18.469) 20.490 9.451 ( 3.881 -1.475 -0.180) 4.155 11.167 ( -4.255 11.067 20.713) 23.867 18.661 ( -1.221 -1.470 5.152) 5.495 19.221 ( -0.941 7.474 -13.979) 15.880 ======================= Grid point 437 (175/417) ======================= q-point: (-0.19 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 4.050 -1.976 -1.925) 4.901 1.709 ( 5.546 -2.756 2.905) 6.840 2.334 ( 4.158 -4.717 -13.347) 14.754 5.424 ( 13.845 -20.254 0.897) 24.550 5.656 ( -7.619 10.607 6.008) 14.375 7.291 ( 10.287 -22.875 -0.184) 25.082 8.044 ( 11.887 -7.128 5.050) 14.751 8.976 ( -1.579 -10.081 -18.993) 21.560 9.465 ( -0.017 -4.519 3.440) 5.680 11.287 ( -3.433 13.154 18.150) 22.677 18.647 ( -0.909 -0.808 5.320) 5.457 19.227 ( -1.522 7.497 -15.157) 16.978 ======================= Grid point 438 (176/417) ======================= q-point: (-0.12 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 3.923 -1.503 -3.013) 5.170 1.787 ( 5.056 -2.332 3.621) 6.642 2.327 ( 6.979 -5.859 -16.279) 18.656 5.253 ( -1.195 -36.277 6.210) 36.824 5.612 ( -12.498 14.373 5.399) 19.797 7.461 ( 29.383 -14.865 -2.534) 33.027 8.216 ( 11.844 -4.175 3.834) 13.130 8.789 ( -0.205 -10.293 -18.541) 21.208 9.381 ( -4.409 -7.027 6.798) 10.725 11.425 ( -3.450 14.562 13.708) 20.295 18.650 ( -0.350 -0.065 5.299) 5.311 19.218 ( -1.731 6.334 -15.101) 16.467 ======================= Grid point 451 (177/417) ======================= q-point: (-0.31 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 0.000 -3.965 2.747) 4.824 1.493 ( 0.000 -3.289 -0.399) 3.313 2.326 ( -0.000 -3.695 -9.909) 10.576 4.701 ( 0.000 -9.638 -2.350) 9.920 5.808 ( -0.000 19.430 0.939) 19.453 7.516 ( 0.000 -3.771 5.157) 6.388 7.787 ( 0.000 -40.321 6.629) 40.863 9.216 ( -0.000 -8.499 -19.276) 21.066 9.338 ( -0.000 0.227 -1.535) 1.551 11.255 ( 0.000 8.477 23.514) 24.996 18.684 ( 0.000 -2.594 5.654) 6.221 19.241 ( -0.000 8.866 -15.274) 17.661 ======================= Grid point 452 (178/417) ======================= q-point: (-0.25 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 1.454 -4.446 -0.682) 4.727 1.504 ( 4.970 -4.302 0.916) 6.637 2.254 ( 0.866 -4.555 -12.896) 13.704 4.720 ( 14.964 -13.281 -1.399) 20.057 5.963 ( -5.931 20.767 0.951) 21.618 7.286 ( -5.700 -35.230 5.607) 36.126 7.628 ( 10.762 -12.170 5.858) 17.269 9.039 ( -1.634 -10.114 -19.500) 22.028 9.368 ( 3.443 -0.650 -1.191) 3.701 11.397 ( -2.153 7.893 25.103) 26.403 18.672 ( -0.389 -2.646 5.849) 6.432 19.276 ( -0.913 10.263 -17.755) 20.528 ======================= Grid point 453 (179/417) ======================= q-point: (-0.19 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 4.197 -4.433 -3.570) 7.072 1.570 ( 6.815 -4.712 1.858) 8.491 2.179 ( 1.961 -5.498 -15.802) 16.846 4.875 ( 19.234 -20.763 1.589) 28.348 6.031 ( -10.312 20.248 1.682) 22.785 6.880 ( 2.898 -37.238 4.308) 37.598 7.768 ( 12.723 -6.367 4.760) 15.003 8.832 ( -1.779 -11.444 -19.830) 22.965 9.409 ( 2.490 -2.999 1.106) 4.052 11.522 ( -2.365 9.010 23.688) 25.454 18.660 ( -0.235 -2.155 5.656) 6.057 19.293 ( -2.083 10.210 -19.083) 21.743 ======================= Grid point 454 (180/417) ======================= q-point: (-0.12 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 6.018 -3.869 -5.270) 8.886 1.653 ( 7.317 -4.893 2.813) 9.241 2.109 ( 3.634 -6.510 -18.776) 20.202 4.867 ( 7.039 -32.443 7.550) 34.046 6.031 ( -13.098 19.078 2.618) 23.289 6.778 ( 23.191 -26.853 0.693) 35.488 7.956 ( 13.230 -5.139 3.425) 14.601 8.623 ( -0.738 -11.593 -19.461) 22.664 9.384 ( -1.383 -6.027 4.614) 7.715 11.659 ( -1.975 10.970 19.016) 22.042 18.660 ( 0.291 -1.639 5.580) 5.823 19.281 ( -3.060 8.961 -19.264) 21.465 ======================= Grid point 468 (181/417) ======================= q-point: (-0.25 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 0.000 -6.602 -1.915) 6.874 1.400 ( 0.000 -5.572 -0.838) 5.634 2.150 ( -0.000 -5.321 -14.930) 15.850 4.445 ( 0.000 -13.778 -1.932) 13.913 6.235 ( -0.000 20.743 -0.103) 20.743 6.928 ( 0.000 -47.225 7.954) 47.890 7.475 ( 0.000 -3.556 5.027) 6.158 8.876 ( -0.000 -11.951 -19.982) 23.283 9.327 ( -0.000 -0.272 -1.745) 1.766 11.572 ( 0.000 5.407 28.344) 28.855 18.665 ( 0.000 -2.764 5.161) 5.855 19.334 ( -0.000 11.662 -20.041) 23.187 ======================= Grid point 469 (182/417) ======================= q-point: (-0.19 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 2.386 -7.374 -6.087) 9.855 1.395 ( 6.134 -6.859 -0.096) 9.202 2.045 ( 0.621 -6.122 -16.258) 17.384 4.404 ( 11.877 -16.618 -0.755) 20.440 6.329 ( -1.485 -10.946 5.816) 12.484 6.515 ( -4.820 -15.242 1.871) 16.095 7.537 ( 8.487 -3.933 4.697) 10.467 8.669 ( -1.245 -13.173 -19.853) 23.858 9.340 ( 2.329 -1.451 -1.030) 2.931 11.708 ( -0.881 4.823 28.790) 29.204 18.654 ( 0.045 -2.305 3.793) 4.438 19.371 ( -1.577 11.638 -20.991) 24.053 ======================= Grid point 470 (183/417) ======================= q-point: (-0.12 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 6.481 -7.411 -9.424) 13.629 1.455 ( 8.409 -7.504 0.199) 11.273 1.941 ( 1.380 -6.756 -16.770) 18.132 4.432 ( 11.035 -24.146 4.592) 26.942 6.111 ( 14.758 -38.393 6.533) 41.647 6.464 ( -11.815 19.186 -0.951) 22.552 7.695 ( 11.803 -4.024 3.203) 12.875 8.447 ( -0.804 -13.202 -18.989) 23.142 9.346 ( 0.773 -4.127 1.868) 4.596 11.841 ( -0.519 6.311 24.849) 25.643 18.647 ( 0.488 -2.039 2.674) 3.398 19.371 ( -3.311 10.464 -20.570) 23.315 ======================= Grid point 485 (184/417) ======================= q-point: (-0.19 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -0.000 -9.753 -10.206) 14.117 1.250 ( 0.000 -8.806 -0.875) 8.850 1.920 ( -0.000 -7.138 -15.667) 17.217 4.137 ( 0.000 -14.669 -2.313) 14.850 5.922 ( 0.000 -50.974 12.547) 52.496 6.716 ( -0.000 20.955 -4.700) 21.476 7.442 ( 0.000 -3.126 5.486) 6.314 8.473 ( -0.000 -14.533 -19.123) 24.019 9.302 ( -0.000 -0.915 -2.406) 2.574 11.850 ( 0.000 2.126 32.018) 32.089 18.640 ( 0.000 -1.616 0.415) 1.668 19.434 ( -0.000 11.672 -21.168) 24.173 ======================= Grid point 486 (185/417) ======================= q-point: (-0.12 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 3.860 -10.479 -14.731) 18.486 1.221 ( 7.296 -10.157 -0.727) 12.528 1.796 ( 0.768 -8.374 -14.170) 16.477 4.060 ( 7.809 -16.439 -0.238) 18.201 5.506 ( 7.366 -47.507 11.431) 49.415 6.835 ( -7.882 19.727 -4.120) 21.639 7.501 ( 7.371 -2.831 4.434) 9.056 8.255 ( -0.449 -14.633 -17.683) 22.957 9.295 ( 1.191 -2.197 -1.270) 2.803 11.977 ( 0.286 2.074 30.583) 30.655 18.623 ( 0.194 -1.224 -3.009) 3.254 19.461 ( -2.157 10.598 -19.588) 22.375 ======================= Grid point 502 (186/417) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -0.000 -12.042 -19.158) 22.628 1.028 ( 0.000 -12.669 -0.303) 12.673 1.645 ( -0.000 -11.344 -11.915) 16.452 3.841 ( 0.000 -12.218 -3.454) 12.697 4.989 ( 0.000 -48.141 13.809) 50.082 7.086 ( -0.000 18.445 -6.762) 19.645 7.423 ( 0.000 -2.634 6.221) 6.756 8.052 ( -0.000 -14.921 -15.558) 21.557 9.258 ( -0.000 -1.417 -3.209) 3.508 12.088 ( 0.000 -0.204 33.522) 33.522 18.593 ( -0.000 -0.316 -9.891) 9.896 19.523 ( -0.000 9.678 -16.601) 19.216 ======================= Grid point 555 (187/417) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.136 ( 0.000 -0.000 7.246) 7.246 0.136 ( 0.000 -0.000 7.246) 7.246 1.240 ( 0.000 -0.000 59.828) 59.828 3.230 ( -0.000 0.000 -20.241) 20.241 3.230 ( -0.000 0.000 -20.241) 20.241 7.507 ( 0.000 -0.000 11.410) 11.410 7.507 ( 0.000 -0.000 11.410) 11.410 8.589 ( -0.000 0.000 -9.447) 9.447 9.127 ( -0.000 0.000 -4.052) 4.052 9.127 ( -0.000 0.000 -4.052) 4.052 19.742 ( -0.000 0.000 -0.128) 0.128 21.724 ( 0.000 -0.000 0.884) 0.884 ======================= Grid point 556 (188/417) ======================= q-point: ( 0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( 16.863 9.736 6.374) 20.488 0.684 ( 22.675 13.091 6.772) 27.044 1.482 ( 4.169 2.407 55.612) 55.820 3.113 ( -0.021 -0.012 -24.746) 24.746 3.447 ( 20.809 12.014 -20.181) 31.379 7.509 ( -0.338 -0.195 9.547) 9.555 7.651 ( 4.801 2.772 15.295) 16.268 8.010 ( -18.023 -10.406 15.834) 26.150 9.065 ( -1.644 -0.949 -6.817) 7.077 10.290 ( 54.828 31.655 -62.619) 89.046 19.543 ( -17.604 -10.164 4.067) 20.731 20.883 ( -44.174 -25.504 54.657) 74.761 ======================= Grid point 557 (189/417) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 15.733 9.084 9.365) 20.439 1.109 ( 11.797 6.811 12.292) 18.348 1.786 ( 6.404 3.697 45.094) 45.696 3.072 ( 4.155 2.399 -26.774) 27.201 4.063 ( 36.463 21.052 -17.436) 45.571 7.412 ( -12.349 -7.130 6.237) 15.564 7.828 ( 5.483 3.165 17.671) 18.771 7.879 ( 2.046 1.181 15.213) 15.396 9.006 ( -1.076 -0.621 -9.282) 9.365 11.052 ( 30.249 17.464 -58.868) 68.450 19.095 ( -18.957 -10.945 11.946) 24.937 20.373 ( -19.069 -11.009 45.742) 50.765 ======================= Grid point 558 (190/417) ======================= q-point: ( 0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 11.784 6.804 11.236) 17.646 1.371 ( 8.020 4.630 10.561) 14.046 2.062 ( 5.500 3.176 37.271) 37.809 3.138 ( 9.097 5.252 -25.610) 27.680 4.978 ( 44.724 25.821 -13.714) 53.432 7.045 ( -18.945 -10.938 2.892) 22.066 8.021 ( 5.733 3.310 18.604) 19.747 8.080 ( 9.032 5.215 14.952) 18.230 8.953 ( -0.584 -0.337 -11.197) 11.217 11.409 ( 16.334 9.430 -44.895) 48.696 18.796 ( -9.704 -5.602 7.577) 13.526 20.137 ( -13.885 -8.017 34.111) 37.691 ======================= Grid point 559 (191/417) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 6.768 3.908 9.818) 12.549 1.568 ( 6.721 3.881 4.673) 9.059 2.304 ( 5.523 3.189 31.718) 32.353 3.326 ( 13.310 7.684 -20.451) 25.582 6.001 ( 44.203 25.520 -11.624) 52.348 6.584 ( -19.409 -11.206 0.342) 22.415 8.216 ( 5.580 3.222 18.083) 19.196 8.362 ( 10.293 5.943 15.267) 19.348 8.902 ( -0.373 -0.215 -12.331) 12.338 11.551 ( 7.395 4.269 -33.524) 34.594 18.665 ( -3.511 -2.027 2.609) 4.822 19.929 ( -12.591 -7.269 26.142) 29.912 ======================= Grid point 560 (192/417) ======================= q-point: ( 0.44 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 2.932 1.693 6.156) 7.026 1.717 ( 5.323 3.073 0.130) 6.147 2.533 ( 5.857 3.382 24.064) 24.997 3.604 ( 14.672 8.471 -12.782) 21.223 6.048 ( -20.184 -11.653 -3.479) 23.565 7.042 ( 41.467 23.941 -7.905) 48.530 8.395 ( 4.591 2.650 15.145) 16.046 8.654 ( 10.182 5.879 15.028) 19.081 8.854 ( -0.177 -0.102 -11.659) 11.661 11.541 ( 0.336 0.194 -24.881) 24.884 18.626 ( -0.552 -0.319 -0.095) 0.644 19.725 ( -11.190 -6.461 19.105) 23.064 ======================= Grid point 561 (193/417) ======================= q-point: ( 0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 0.752 0.434 2.553) 2.696 1.820 ( 3.764 2.173 -1.954) 4.765 2.724 ( 4.531 2.616 13.401) 14.386 3.903 ( 12.983 7.496 -4.958) 15.790 5.591 ( -16.969 -9.797 -2.697) 19.778 7.896 ( 31.977 18.462 -5.544) 37.338 8.504 ( 1.070 0.618 4.633) 4.795 8.837 ( 1.661 0.959 -3.993) 4.429 8.944 ( 10.916 6.303 12.173) 17.524 11.412 ( -4.889 -2.823 -17.777) 18.652 18.625 ( 0.453 0.261 -0.971) 1.103 19.537 ( -9.264 -5.348 12.223) 16.242 ======================= Grid point 562 (194/417) ======================= q-point: ( 0.56 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -0.482 -0.278 -0.119) 0.569 1.882 ( 2.256 1.303 -2.730) 3.774 2.805 ( -0.380 -0.220 1.373) 1.442 4.162 ( 9.284 5.360 2.094) 10.923 5.277 ( -8.613 -4.973 0.312) 9.950 8.449 ( 15.495 8.946 1.532) 17.958 8.462 ( -3.430 -1.980 -9.075) 9.901 8.913 ( 3.810 2.200 6.456) 7.812 9.235 ( 10.271 5.930 2.937) 12.218 11.234 ( -4.696 -2.711 -10.902) 12.177 18.638 ( 0.913 0.527 -0.633) 1.230 19.373 ( -7.363 -4.251 5.578) 10.169 ======================= Grid point 563 (195/417) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -1.398 -0.807 -1.891) 2.486 1.908 ( 0.845 0.488 -3.454) 3.589 2.696 ( -7.943 -4.586 -7.807) 12.045 4.342 ( 4.504 2.601 8.106) 9.631 5.215 ( 2.735 1.579 3.520) 4.730 8.311 ( -5.707 -3.295 -14.647) 16.061 8.667 ( 2.779 1.604 8.192) 8.798 9.029 ( 3.577 2.065 8.762) 9.687 9.311 ( -5.541 -3.199 -6.848) 9.372 11.206 ( 5.771 3.332 -4.771) 8.196 18.669 ( 1.841 1.063 0.680) 2.232 19.226 ( -6.024 -3.478 -0.446) 6.971 ======================= Grid point 564 (196/417) ======================= q-point: (-0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -2.387 -1.378 -2.912) 4.009 1.896 ( -0.705 -0.407 -5.881) 5.937 2.406 ( -13.508 -7.799 -9.212) 18.115 4.423 ( -0.675 -0.390 12.641) 12.665 5.407 ( 11.872 6.854 4.251) 14.353 8.110 ( -6.737 -3.889 -16.845) 18.554 8.633 ( -10.680 -6.166 7.613) 14.493 8.963 ( -17.546 -10.130 -6.063) 21.148 9.130 ( 2.580 1.489 8.321) 8.838 11.440 ( 13.531 7.812 -3.554) 16.024 18.734 ( 3.188 1.841 3.606) 5.153 19.086 ( -5.022 -2.899 -6.009) 8.351 ======================= Grid point 565 (197/417) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -3.722 -2.149 -3.224) 5.373 1.804 ( -5.878 -3.393 -16.492) 17.834 2.065 ( -12.381 -7.148 3.112) 14.632 4.395 ( -5.538 -3.197 14.972) 16.280 5.765 ( 16.957 9.790 3.594) 19.907 7.893 ( -6.694 -3.865 -17.106) 18.771 8.048 ( -34.885 -20.141 -6.391) 40.785 8.703 ( -8.547 -4.934 9.804) 13.911 9.204 ( 1.458 0.842 7.291) 7.483 11.744 ( 12.870 7.430 -5.797) 15.951 18.827 ( 1.035 0.597 10.467) 10.535 18.969 ( -0.547 -0.316 -12.935) 12.951 ======================= Grid point 566 (198/417) ======================= q-point: (-0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -5.600 -3.233 -2.771) 7.035 1.480 ( -14.589 -8.423 -15.863) 23.139 1.898 ( -5.768 -3.330 9.283) 11.425 4.270 ( -9.201 -5.312 14.329) 17.838 6.199 ( 18.604 10.741 3.004) 21.691 7.111 ( -41.803 -24.135 -8.275) 48.975 7.691 ( -5.734 -3.310 -15.364) 16.730 8.523 ( -10.478 -6.049 13.183) 17.893 9.248 ( 0.418 0.241 6.129) 6.148 11.980 ( 9.323 5.382 -10.100) 14.761 18.763 ( -5.376 -3.104 0.296) 6.215 19.065 ( 7.917 4.571 0.356) 9.149 ======================= Grid point 567 (199/417) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -14.714 -8.495 -2.051) 17.114 1.253 ( -8.083 -4.667 -1.514) 9.455 1.794 ( -6.341 -3.661 9.351) 11.876 4.072 ( -10.917 -6.303 10.350) 16.310 6.044 ( -43.486 -25.106 -11.070) 51.419 6.667 ( 17.505 10.106 4.813) 20.778 7.529 ( -4.175 -2.410 -11.597) 12.559 8.300 ( -12.367 -7.140 14.711) 20.502 9.265 ( -0.482 -0.278 4.819) 4.851 12.106 ( 5.247 3.029 -17.823) 18.824 18.644 ( -4.323 -2.496 0.031) 4.992 19.279 ( 8.768 5.062 8.578) 13.270 ======================= Grid point 572 (200/417) ======================= q-point: ( 0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( -0.000 17.932 5.608) 18.789 0.744 ( -0.000 27.807 9.259) 29.308 1.672 ( 0.000 4.381 54.738) 54.913 3.195 ( -0.000 16.964 -26.606) 31.554 3.219 ( -0.000 9.238 -22.384) 24.215 7.502 ( 0.000 -3.748 11.352) 11.954 7.738 ( 0.000 7.086 14.703) 16.321 8.052 ( 0.000 -18.344 12.543) 22.222 9.160 ( -0.000 3.259 -3.587) 4.846 10.000 ( -0.000 54.032 -56.484) 78.166 19.553 ( 0.000 -18.696 2.789) 18.903 21.043 ( 0.000 -45.996 43.111) 63.041 ======================= Grid point 573 (201/417) ======================= q-point: ( 0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 12.782 14.441 7.940) 20.855 1.081 ( 6.447 14.528 12.972) 20.516 1.917 ( 2.213 5.109 47.423) 47.748 3.099 ( -6.524 15.561 -26.251) 31.207 3.672 ( 26.765 25.514 -21.575) 42.811 7.498 ( -3.034 -6.524 9.120) 11.616 7.753 ( 0.477 -9.486 11.027) 14.554 8.023 ( -0.572 9.040 19.072) 21.113 9.090 ( -7.301 5.568 -6.876) 11.471 10.566 ( 26.191 30.448 -58.048) 70.588 19.248 ( -11.198 -19.835 7.803) 24.078 20.656 ( -13.695 -24.671 43.960) 52.237 ======================= Grid point 574 (202/417) ======================= q-point: ( 0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 12.039 10.365 10.520) 19.053 1.331 ( 5.897 5.871 12.499) 15.015 2.151 ( 2.984 3.387 38.417) 38.681 3.124 ( -1.406 20.532 -25.212) 32.545 4.479 ( 37.871 31.248 -16.155) 51.687 7.226 ( -14.967 -14.434 4.038) 21.181 7.844 ( 11.108 -5.148 13.704) 18.377 8.221 ( 0.943 13.738 19.901) 24.201 9.006 ( -5.726 6.075 -9.813) 12.884 11.030 ( 21.018 14.745 -49.024) 55.340 18.914 ( -9.909 -12.009 7.747) 17.390 20.373 ( -12.082 -14.993 35.430) 40.324 ======================= Grid point 575 (203/417) ======================= q-point: ( 0.38 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 7.539 5.706 10.676) 14.261 1.509 ( 5.929 3.008 7.311) 9.881 2.353 ( 3.944 1.917 31.153) 31.460 3.298 ( 2.746 26.063 -20.296) 33.147 5.466 ( 42.689 30.419 -12.014) 53.778 6.779 ( -18.092 -16.386 0.947) 24.428 8.064 ( 13.008 -3.886 14.192) 19.640 8.450 ( 1.792 13.312 19.466) 23.650 8.943 ( -4.736 6.603 -11.465) 14.052 11.289 ( 13.672 5.883 -38.405) 41.188 18.717 ( -5.052 -5.463 4.104) 8.498 20.136 ( -11.541 -12.234 27.587) 32.310 ======================= Grid point 576 (204/417) ======================= q-point: ( 0.44 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 3.623 1.433 7.180) 8.169 1.657 ( 5.382 2.860 2.421) 6.558 2.540 ( 5.000 1.108 23.898) 24.440 3.593 ( 4.555 29.105 -12.938) 32.175 6.215 ( -10.692 -10.300 -4.504) 15.514 6.546 ( 34.628 20.600 -6.101) 40.751 8.295 ( 11.430 -2.679 12.761) 17.339 8.677 ( 3.077 10.465 17.628) 20.730 8.897 ( -4.240 7.514 -10.787) 13.813 11.384 ( 6.903 -0.077 -29.289) 30.091 18.635 ( -1.530 -1.980 1.157) 2.756 19.902 ( -10.961 -10.652 20.593) 25.645 ======================= Grid point 577 (205/417) ======================= q-point: ( 0.50 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 1.527 -0.080 3.065) 3.425 1.768 ( 4.051 2.151 -0.544) 4.619 2.702 ( 4.806 0.325 14.792) 15.557 3.934 ( 3.600 29.005 -5.635) 29.766 5.759 ( -16.934 -14.387 -2.476) 22.358 7.453 ( 38.021 21.023 -6.348) 43.907 8.470 ( 6.053 -0.998 5.598) 8.305 8.846 ( 0.563 5.945 0.257) 5.977 8.928 ( 2.219 8.538 9.349) 12.854 11.342 ( 0.995 -4.314 -21.666) 22.114 18.615 ( 0.198 -0.645 -0.313) 0.744 19.678 ( -9.725 -8.925 13.910) 19.176 ======================= Grid point 578 (206/417) ======================= q-point: ( 0.56 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 0.037 -0.559 0.309) 0.640 1.842 ( 2.863 1.433 -2.350) 3.971 2.793 ( 1.752 -1.293 4.086) 4.630 4.250 ( 0.667 26.743 0.749) 26.762 5.375 ( -11.007 -10.065 -0.289) 14.917 8.182 ( 25.353 11.662 -3.052) 28.073 8.504 ( -1.621 2.573 -6.934) 7.571 8.930 ( 2.032 6.506 4.992) 8.449 9.120 ( 7.631 2.985 9.217) 12.333 11.209 ( -2.123 -6.028 -14.768) 16.091 18.620 ( 0.986 -0.316 -0.578) 1.186 19.476 ( -8.140 -7.062 7.563) 13.166 ======================= Grid point 579 (207/417) ======================= q-point: ( 0.62 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -1.037 -0.720 -1.420) 1.900 1.881 ( 1.510 0.749 -3.643) 4.014 2.742 ( -4.653 -3.996 -5.070) 7.957 4.493 ( -3.327 23.055 6.175) 24.098 5.200 ( -1.052 -3.537 2.844) 4.659 8.341 ( -4.479 -1.110 -13.692) 14.448 8.638 ( 7.416 6.815 5.001) 11.245 9.060 ( 1.906 6.720 8.225) 10.791 9.255 ( 4.121 -4.713 -1.504) 6.439 11.112 ( 2.873 -2.731 -8.329) 9.224 18.641 ( 1.935 0.018 0.048) 1.936 19.297 ( -6.836 -5.459 2.003) 8.974 ======================= Grid point 580 (208/417) ======================= q-point: (-0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -2.056 -0.905 -2.393) 3.282 1.883 ( -0.188 0.145 -5.854) 5.859 2.524 ( -10.996 -6.127 -7.572) 14.690 4.637 ( -7.800 18.861 10.483) 22.945 5.280 ( 8.954 2.261 3.948) 10.044 8.158 ( -8.175 -1.629 -16.469) 18.458 8.739 ( -2.715 -0.648 8.743) 9.177 9.078 ( -11.116 -13.607 -5.707) 18.474 9.177 ( 0.522 6.441 7.682) 10.039 11.239 ( 13.224 2.685 -5.586) 14.604 18.695 ( 3.623 0.850 1.507) 4.015 19.134 ( -6.129 -4.335 -2.257) 7.840 ======================= Grid point 581 (209/417) ======================= q-point: (-0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -3.321 -1.440 -2.841) 4.601 1.824 ( -3.837 -0.527 -11.745) 12.367 2.226 ( -12.793 -6.082 0.087) 14.166 4.666 ( -12.749 14.636 12.890) 23.300 5.558 ( 16.154 5.276 3.114) 17.277 7.918 ( -9.384 -5.405 -16.055) 19.366 8.412 ( -26.592 -13.676 -8.127) 30.988 8.806 ( -6.115 -6.815 12.131) 15.199 9.260 ( -0.898 5.821 6.542) 8.803 11.523 ( 16.017 3.825 -7.482) 18.087 18.802 ( 5.841 2.037 4.095) 7.419 18.977 ( -5.819 -3.566 -5.001) 8.461 ======================= Grid point 582 (210/417) ======================= q-point: (-0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -5.634 -3.379 -3.554) 7.469 1.632 ( -11.437 -0.497 -13.866) 17.981 2.011 ( -7.739 -3.901 10.452) 13.578 4.571 ( -16.996 9.926 12.263) 23.190 5.950 ( 20.180 6.170 2.268) 21.224 7.454 ( -27.946 -24.799 -9.954) 38.666 7.841 ( -17.996 2.075 -13.973) 22.878 8.667 ( -8.093 -6.930 15.647) 18.930 9.307 ( -1.918 4.507 5.048) 7.034 11.787 ( 13.191 2.860 -11.788) 17.921 18.826 ( -5.588 -2.878 -5.322) 8.237 18.970 ( 8.109 3.116 7.389) 11.404 ======================= Grid point 583 (211/417) ======================= q-point: (-0.12 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -11.579 -5.056 -1.259) 12.697 1.409 ( -10.974 1.769 -3.105) 11.542 1.902 ( -5.978 -3.116 11.916) 13.690 4.360 ( -19.095 4.650 7.990) 21.215 6.364 ( 11.371 1.691 -0.880) 11.530 6.556 ( -30.750 -20.585 -6.137) 37.509 7.616 ( -9.256 3.910 -10.719) 14.692 8.481 ( -10.694 -7.712 16.919) 21.449 9.318 ( -2.458 2.559 3.336) 4.870 11.951 ( 8.297 1.870 -18.739) 20.578 18.695 ( -4.530 -1.968 -3.612) 6.118 19.195 ( 9.614 3.648 12.702) 16.342 ======================= Grid point 589 (212/417) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 0.000 15.599 7.641) 17.370 1.221 ( 0.000 10.955 15.690) 19.136 2.100 ( 0.000 4.038 41.871) 42.065 3.312 ( -0.000 15.230 -23.222) 27.771 3.629 ( -0.000 42.467 -21.875) 47.770 7.510 ( 0.000 -3.055 11.708) 12.100 7.637 ( 0.000 -17.676 5.193) 18.423 8.209 ( 0.000 13.507 20.835) 24.830 9.204 ( -0.000 3.347 -3.831) 5.087 10.466 ( -0.000 32.603 -57.245) 65.878 19.150 ( 0.000 -21.247 7.323) 22.473 20.643 ( 0.000 -25.180 38.761) 46.221 ======================= Grid point 590 (213/417) ======================= q-point: ( 0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 9.616 11.431 8.672) 17.272 1.371 ( 1.882 4.918 15.030) 15.926 2.268 ( 1.060 2.083 34.219) 34.299 3.354 ( -4.301 23.968 -22.684) 33.279 4.254 ( 22.114 44.203 -15.256) 51.727 7.311 ( -11.431 -16.909 3.932) 20.785 7.649 ( 9.492 -5.715 11.213) 15.763 8.427 ( 0.092 14.834 20.988) 25.701 9.160 ( -6.178 5.510 -6.335) 10.424 10.715 ( 14.341 20.569 -50.146) 56.065 18.930 ( -4.961 -15.336 6.681) 17.448 20.472 ( -6.186 -19.901 33.051) 39.073 ======================= Grid point 591 (214/417) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 9.237 6.387 8.057) 13.822 1.491 ( 2.887 1.848 11.580) 12.076 2.413 ( 2.130 0.788 27.687) 27.780 3.533 ( 0.130 32.136 -18.933) 37.299 5.114 ( 30.932 39.803 -10.438) 51.478 6.891 ( -15.273 -19.796 0.886) 25.018 7.840 ( 12.627 -3.701 12.354) 18.049 8.642 ( -0.151 13.806 19.890) 24.212 9.093 ( -6.229 8.227 -8.555) 13.404 10.975 ( 14.395 9.437 -40.751) 44.237 18.745 ( -4.194 -8.286 4.290) 10.230 20.257 ( -8.398 -16.750 26.883) 32.769 ======================= Grid point 592 (215/417) ======================= q-point: ( 0.44 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 3.393 0.368 6.516) 7.356 1.602 ( 5.764 3.106 5.732) 8.702 2.547 ( 3.366 -0.074 21.728) 21.987 3.861 ( 1.998 37.884 -13.025) 40.110 6.023 ( 31.396 28.488 -7.836) 43.112 6.423 ( -12.334 -15.960 -0.958) 20.193 8.081 ( 13.512 -2.885 11.771) 18.151 8.824 ( -0.452 10.977 15.101) 18.675 9.058 ( -5.698 10.738 -6.109) 13.605 11.127 ( 10.441 1.362 -31.951) 33.641 18.644 ( -1.936 -3.602 1.799) 4.467 20.022 ( -9.203 -14.639 20.728) 26.994 ======================= Grid point 593 (216/417) ======================= q-point: ( 0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 2.446 -0.589 3.180) 4.055 1.722 ( 3.857 1.970 1.825) 4.700 2.670 ( 3.959 -0.901 14.677) 15.229 4.253 ( 0.545 40.256 -6.923) 40.850 5.874 ( -15.733 -17.768 -2.322) 23.845 6.991 ( 36.645 24.089 -5.652) 44.216 8.315 ( 11.462 -2.194 8.398) 14.378 8.934 ( -1.453 8.876 0.331) 9.000 9.084 ( -4.093 10.793 8.347) 14.245 11.157 ( 5.679 -4.439 -24.303) 25.349 18.605 ( -0.281 -1.442 0.209) 1.484 19.783 ( -8.947 -12.406 14.641) 21.173 ======================= Grid point 594 (217/417) ======================= q-point: ( 0.56 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 1.020 -0.911 0.651) 1.515 1.799 ( 2.927 1.475 -0.873) 3.392 2.753 ( 2.667 -1.934 6.092) 6.926 4.626 ( -3.093 39.564 -1.584) 39.717 5.455 ( -12.037 -13.865 -0.642) 18.372 7.793 ( 32.063 15.708 -4.992) 36.051 8.472 ( 5.847 -0.062 -0.347) 5.858 8.993 ( -0.403 8.521 -1.997) 8.761 9.161 ( -2.095 6.080 14.477) 15.841 11.086 ( 1.844 -7.725 -17.590) 19.300 18.597 ( 0.624 -0.864 -0.375) 1.130 19.560 ( -7.961 -9.868 8.797) 15.432 ======================= Grid point 595 (218/417) ======================= q-point: ( 0.62 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -0.222 -0.868 -0.921) 1.285 1.849 ( 1.915 1.022 -2.733) 3.490 2.746 ( -1.586 -3.344 -2.046) 4.229 4.909 ( -7.389 32.156 2.052) 33.058 5.212 ( -4.584 -3.147 3.206) 6.418 8.284 ( 9.807 2.698 -7.840) 12.842 8.580 ( 8.192 7.492 -5.381) 12.337 9.081 ( 2.879 1.364 4.492) 5.507 9.216 ( -1.903 3.776 10.321) 11.154 10.985 ( 2.380 -7.007 -11.575) 13.739 18.606 ( 1.528 -0.721 -0.176) 1.699 19.364 ( -6.868 -7.380 3.704) 10.740 ======================= Grid point 596 (219/417) ======================= q-point: (-0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -1.327 -0.797 -1.825) 2.393 1.867 ( 0.476 0.682 -4.580) 4.655 2.612 ( -7.465 -4.422 -5.563) 10.307 5.030 ( -2.855 13.066 3.579) 13.845 5.256 ( -4.423 17.720 7.124) 19.604 8.234 ( -6.679 -0.389 -14.996) 16.421 8.773 ( 3.496 2.643 0.586) 4.422 9.046 ( -3.286 -12.918 3.956) 13.904 9.285 ( -0.825 8.991 7.307) 11.615 11.008 ( 10.302 -2.486 -7.707) 13.104 18.641 ( 3.134 -0.241 0.458) 3.176 19.192 ( -6.192 -5.301 0.176) 8.153 ======================= Grid point 597 (220/417) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -2.607 -0.899 -2.294) 3.587 1.844 ( -1.898 0.740 -7.557) 7.827 2.384 ( -11.173 -4.188 -1.452) 12.020 5.138 ( -6.974 17.877 7.038) 20.439 5.396 ( 2.643 11.127 5.192) 12.560 8.002 ( -11.205 -4.388 -15.277) 19.447 8.620 ( -14.773 -12.033 -10.519) 21.764 8.881 ( -4.867 -5.442 16.237) 17.803 9.376 ( -1.587 7.977 5.480) 9.807 11.224 ( 16.909 0.447 -8.106) 18.756 18.719 ( 5.411 0.478 0.504) 5.456 19.040 ( -5.892 -3.492 -0.274) 6.855 ======================= Grid point 598 (221/417) ======================= q-point: (-0.19 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -4.673 -1.197 -2.371) 5.375 1.755 ( -6.296 1.720 -10.279) 12.176 2.164 ( -10.017 -3.144 8.241) 13.347 5.110 ( -20.996 19.266 8.905) 29.855 5.659 ( 17.168 3.479 0.992) 17.545 7.608 ( -19.103 -16.222 -9.922) 26.954 8.158 ( -20.248 -2.070 -13.113) 24.212 8.784 ( -6.806 -6.172 17.977) 20.189 9.421 ( -2.952 5.716 3.321) 7.240 11.503 ( 16.599 1.090 -11.370) 20.149 18.807 ( 2.774 -1.267 -8.581) 9.107 18.952 ( -0.532 0.510 11.243) 11.267 ======================= Grid point 599 (222/417) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -8.106 -0.604 0.122) 8.129 1.607 ( -9.527 3.202 -5.832) 11.620 2.028 ( -6.993 -2.457 13.959) 15.805 4.863 ( -26.187 9.887 4.047) 28.283 6.040 ( 22.018 1.990 -0.078) 22.108 6.933 ( -32.581 -18.207 -6.071) 37.813 7.846 ( -14.063 6.411 -10.568) 18.723 8.636 ( -9.061 -7.337 18.663) 22.005 9.410 ( -3.774 2.501 0.908) 4.618 11.728 ( 12.271 1.608 -16.693) 20.780 18.729 ( -3.335 -1.788 -7.696) 8.576 19.113 ( 8.416 2.712 15.984) 18.266 ======================= Grid point 606 (223/417) ======================= q-point: ( 0.31 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 0.000 10.562 8.356) 13.467 1.441 ( 0.000 2.025 14.444) 14.585 2.379 ( 0.000 0.720 28.944) 28.953 3.526 ( -0.000 20.705 -22.176) 30.339 4.549 ( -0.000 55.887 -10.307) 56.830 7.248 ( 0.000 -22.321 0.846) 22.337 7.535 ( 0.000 -2.402 12.171) 12.405 8.651 ( 0.000 15.227 20.662) 25.667 9.240 ( -0.000 2.954 -4.366) 5.272 10.640 ( -0.000 20.480 -47.641) 51.857 18.842 ( 0.000 -13.305 5.421) 14.367 20.420 ( 0.000 -20.554 29.133) 35.654 ======================= Grid point 607 (224/417) ======================= q-point: ( 0.38 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 6.671 6.790 7.638) 12.204 1.507 ( 1.168 0.225 12.032) 12.091 2.477 ( 0.833 -0.309 24.039) 24.055 3.721 ( 4.717 25.804 -19.997) 32.984 5.190 ( 11.089 52.797 -6.350) 54.321 6.910 ( -10.522 -22.637 -0.595) 24.970 7.646 ( 9.413 -2.908 12.022) 15.543 8.860 ( -1.005 13.953 18.827) 23.456 9.226 ( -3.063 4.934 -5.204) 7.798 10.749 ( 7.976 13.146 -40.441) 43.265 18.725 ( -1.855 -8.473 3.700) 9.430 20.269 ( -4.042 -19.343 24.577) 31.536 ======================= Grid point 608 (225/417) ======================= q-point: ( 0.44 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 5.870 2.796 4.954) 8.175 1.571 ( 2.609 -0.154 9.107) 9.475 2.565 ( 1.836 -1.156 19.236) 19.358 4.087 ( 9.484 32.435 -15.691) 37.258 5.913 ( 16.905 41.184 -4.064) 44.704 6.465 ( -12.960 -19.864 -1.809) 23.787 7.859 ( 12.823 -2.515 11.731) 17.560 9.006 ( -2.616 10.660 10.401) 15.121 9.233 ( -2.823 9.236 -0.003) 9.658 10.870 ( 8.771 4.544 -32.411) 33.883 18.640 ( -1.488 -4.141 1.864) 4.779 20.062 ( -6.276 -17.564 19.608) 27.062 ======================= Grid point 609 (226/417) ======================= q-point: ( 0.50 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 2.444 -0.930 3.879) 4.678 1.679 ( 4.218 1.518 3.745) 5.841 2.645 ( 2.685 -1.934 13.751) 14.143 4.569 ( 8.637 38.064 -10.380) 40.388 5.937 ( -13.903 -19.491 -2.382) 24.060 6.703 ( 23.459 30.987 -3.023) 38.983 8.105 ( 13.076 -2.085 10.170) 16.696 9.065 ( -2.888 9.423 -2.039) 10.064 9.301 ( -3.728 10.433 10.438) 15.222 10.920 ( 6.725 -2.768 -25.187) 26.216 18.598 ( -0.627 -1.683 0.483) 1.860 19.833 ( -7.115 -15.195 14.415) 22.120 ======================= Grid point 610 (227/417) ======================= q-point: ( 0.56 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 1.816 -1.188 1.292) 2.525 1.762 ( 2.978 1.192 0.936) 3.341 2.706 ( 2.570 -2.568 7.205) 8.069 5.053 ( 2.638 40.430 -5.611) 40.903 5.513 ( -11.764 -15.250 -0.629) 19.271 7.408 ( 27.666 19.590 -3.784) 34.110 8.322 ( 10.261 -1.865 6.101) 12.083 9.103 ( -2.348 9.963 -6.018) 11.874 9.359 ( -5.336 7.952 14.883) 17.698 10.886 ( 4.275 -7.757 -18.960) 20.926 18.581 ( 0.003 -0.901 -0.188) 0.920 19.609 ( -6.895 -12.238 9.269) 16.829 ======================= Grid point 611 (228/417) ======================= q-point: ( 0.62 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 0.809 -1.066 -0.425) 1.404 1.818 ( 2.116 1.048 -1.137) 2.621 2.721 ( 0.486 -2.986 0.655) 3.095 5.148 ( -7.287 -7.351 -1.823) 10.510 5.516 ( -3.907 38.803 2.773) 39.098 7.998 ( 23.515 7.518 -6.170) 25.447 8.463 ( 7.063 -0.722 -0.812) 7.146 9.133 ( -2.990 6.067 -1.350) 6.897 9.382 ( -5.245 6.577 14.083) 16.404 10.807 ( 3.607 -9.056 -13.632) 16.759 18.577 ( 0.683 -0.891 -0.213) 1.142 19.410 ( -6.175 -9.042 4.684) 11.909 ======================= Grid point 612 (229/417) ======================= q-point: ( 0.69 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -0.308 -0.781 -1.322) 1.567 1.850 ( 1.064 0.953 -2.790) 3.134 2.658 ( -3.732 -2.958 -3.169) 5.720 5.013 ( 0.606 -5.318 0.799) 5.411 5.808 ( -11.453 40.165 6.059) 42.203 8.233 ( 2.837 -1.677 -11.635) 12.093 8.607 ( 11.236 -2.803 -5.928) 13.010 9.081 ( -6.380 -2.158 9.700) 11.809 9.430 ( -2.447 8.764 8.274) 12.299 10.779 ( 7.550 -6.160 -9.604) 13.682 18.590 ( 1.994 -0.800 0.060) 2.150 19.241 ( -5.534 -6.068 1.514) 8.351 ======================= Grid point 613 (230/417) ======================= q-point: (-0.25 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -1.534 -0.435 -1.620) 2.273 1.854 ( -0.470 1.125 -4.445) 4.609 2.517 ( -8.026 -2.136 -1.632) 8.464 5.069 ( 9.027 -1.648 1.080) 9.239 5.947 ( -18.977 34.500 7.821) 40.144 8.085 ( -8.441 -6.154 -14.147) 17.586 8.609 ( -1.533 -10.513 -8.061) 13.336 8.990 ( -5.615 -1.975 15.512) 16.614 9.504 ( -1.841 7.573 4.445) 8.972 10.905 ( 14.767 -2.075 -8.209) 17.022 18.635 ( 3.948 -0.511 -0.192) 3.986 19.103 ( -5.038 -3.383 1.052) 6.159 ======================= Grid point 614 (231/417) ======================= q-point: (-0.19 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -3.047 0.131 -1.197) 3.276 1.823 ( -2.771 1.878 -6.116) 6.972 2.344 ( -9.900 -0.953 5.008) 11.135 5.282 ( 14.442 0.696 0.568) 14.470 5.875 ( -24.630 22.084 5.042) 33.463 7.746 ( -15.363 -10.903 -8.311) 20.591 8.374 ( -11.470 -2.965 -10.674) 15.946 8.911 ( -6.828 -4.233 17.562) 19.312 9.532 ( -2.864 4.024 1.242) 5.093 11.166 ( 18.057 0.474 -9.715) 20.510 18.705 ( 4.569 -0.936 -3.577) 5.878 19.018 ( -2.905 -0.342 6.178) 6.836 ======================= Grid point 615 (232/417) ======================= q-point: (-0.12 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -4.895 1.364 0.777) 5.140 1.753 ( -5.670 3.112 -6.034) 8.846 2.200 ( -8.960 -0.322 13.009) 15.800 5.420 ( -19.399 4.512 1.526) 19.975 5.706 ( 9.156 0.493 -3.675) 9.878 7.295 ( -24.344 -5.394 -1.191) 24.963 8.124 ( -13.529 5.478 -10.599) 18.039 8.783 ( -8.437 -6.261 19.158) 21.850 9.491 ( -3.876 -0.184 -1.705) 4.238 11.447 ( 15.925 2.209 -13.343) 20.893 18.714 ( 0.139 -1.558 -7.947) 8.099 19.076 ( 4.407 2.134 14.812) 15.600 ======================= Grid point 623 (233/417) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 0.000 5.722 7.170) 9.174 1.532 ( 0.000 -0.931 10.906) 10.946 2.535 ( 0.000 -1.376 20.316) 20.363 3.838 ( -0.000 23.273 -19.775) 30.540 5.653 ( -0.000 55.210 -3.212) 55.304 6.764 ( 0.000 -23.701 -2.715) 23.856 7.573 ( 0.000 -2.041 12.591) 12.755 9.074 ( 0.000 13.320 17.589) 22.064 9.265 ( -0.000 2.515 -4.730) 5.357 10.690 ( -0.000 12.611 -36.122) 38.260 18.675 ( 0.000 -6.187 2.684) 6.745 20.180 ( 0.000 -19.875 21.361) 29.177 ======================= Grid point 624 (234/417) ======================= q-point: ( 0.44 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 4.428 3.218 5.621) 7.846 1.562 ( 1.075 -1.436 9.039) 9.216 2.585 ( 0.773 -2.272 16.431) 16.605 4.113 ( 11.139 24.870 -17.585) 32.431 6.172 ( 1.296 30.990 -1.197) 31.040 6.478 ( -6.628 -3.732 -3.444) 8.350 7.679 ( 8.813 -2.044 12.293) 15.263 9.190 ( -4.130 8.097 4.100) 9.971 9.326 ( 2.432 7.245 5.796) 9.592 10.720 ( 3.341 7.304 -29.398) 30.476 18.627 ( -0.668 -3.238 1.505) 3.633 20.020 ( -2.959 -18.921 17.558) 25.981 ======================= Grid point 625 (235/417) ======================= q-point: ( 0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 1.956 -1.058 4.589) 5.100 1.629 ( 4.363 0.829 5.260) 6.884 2.627 ( 1.559 -2.947 12.207) 12.654 4.603 ( 19.286 27.827 -14.107) 36.678 5.948 ( -11.280 -20.749 -2.809) 23.784 6.819 ( 5.187 40.246 -0.147) 40.579 7.895 ( 12.481 -1.309 11.112) 16.762 9.198 ( -2.983 7.663 -4.173) 9.221 9.466 ( 0.238 8.196 11.391) 14.035 10.732 ( 3.259 0.381 -22.914) 23.148 18.596 ( -0.680 -1.161 0.483) 1.430 19.821 ( -4.661 -16.819 13.363) 21.982 ======================= Grid point 626 (236/417) ======================= q-point: ( 0.56 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 1.801 -1.505 2.587) 3.493 1.721 ( 3.531 0.730 2.395) 4.329 2.660 ( 2.005 -3.271 7.466) 8.394 5.210 ( 18.170 30.059 -10.744) 36.730 5.548 ( -9.879 -15.519 -0.987) 18.423 7.297 ( 9.900 27.034 0.286) 28.791 8.137 ( 11.642 -0.648 8.757) 14.582 9.221 ( -2.118 9.122 -6.763) 11.551 9.562 ( -2.758 6.837 12.846) 14.811 10.686 ( 2.521 -5.764 -17.513) 18.609 18.579 ( -0.585 -0.390 -0.118) 0.713 19.614 ( -5.195 -13.784 9.028) 17.276 ======================= Grid point 627 (237/417) ======================= q-point: ( 0.62 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 1.477 -1.212 0.628) 2.011 1.786 ( 2.518 0.744 0.470) 2.667 2.677 ( 1.490 -3.062 2.665) 4.324 5.178 ( -8.561 -11.399 -2.168) 14.420 5.863 ( 12.429 36.143 -2.783) 38.321 7.706 ( 14.598 10.908 -1.760) 18.308 8.327 ( 7.923 -0.868 4.895) 9.354 9.251 ( -2.742 8.422 -6.274) 10.854 9.594 ( -5.396 5.515 13.603) 15.639 10.604 ( 3.093 -8.772 -13.179) 16.131 18.566 ( -0.334 -0.474 -0.224) 0.621 19.426 ( -4.934 -10.202 4.992) 12.383 ======================= Grid point 628 (238/417) ======================= q-point: ( 0.69 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 0.702 -0.680 -0.503) 1.099 1.829 ( 1.619 0.855 -0.997) 2.085 2.663 ( -0.598 -2.189 -0.766) 2.395 4.972 ( -3.250 -7.089 -0.154) 7.800 6.369 ( -0.329 40.698 2.441) 40.772 7.981 ( 13.806 -5.735 -6.884) 16.459 8.433 ( 5.031 -1.392 0.281) 5.227 9.226 ( -6.178 3.403 0.681) 7.086 9.599 ( -4.471 5.774 10.080) 12.447 10.558 ( 5.892 -6.900 -9.606) 13.214 18.560 ( 0.517 -0.672 -0.065) 0.851 19.270 ( -4.416 -6.622 2.017) 8.211 ======================= Grid point 629 (239/417) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -0.344 -0.043 -0.835) 0.904 1.853 ( 0.562 1.075 -2.154) 2.472 2.605 ( -3.964 -0.666 -0.959) 4.132 4.926 ( 4.000 -3.357 0.352) 5.234 6.650 ( -15.457 36.688 6.257) 40.299 7.997 ( 3.974 -14.181 -11.410) 18.630 8.485 ( 3.207 -3.102 -2.991) 5.371 9.132 ( -6.962 -0.568 9.455) 11.756 9.617 ( -2.543 4.205 3.726) 6.167 10.629 ( 10.849 -2.127 -7.086) 13.132 18.575 ( 2.084 -0.654 -0.202) 2.194 19.151 ( -3.870 -3.395 1.123) 5.269 ======================= Grid point 630 (240/417) ======================= q-point: (-0.19 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -1.469 0.707 -0.430) 1.686 1.856 ( -0.805 1.556 -3.152) 3.606 2.511 ( -7.077 1.113 2.765) 7.680 5.039 ( 11.144 -1.339 -0.471) 11.234 6.558 ( -27.497 15.229 3.077) 31.583 7.841 ( -5.712 -4.118 -5.897) 9.185 8.445 ( -3.186 -1.146 -5.911) 6.812 9.042 ( -6.063 -3.216 13.660) 15.287 9.601 ( -2.465 -0.059 -1.137) 2.715 10.843 ( 15.837 1.691 -6.891) 17.354 18.616 ( 3.433 -0.727 -1.606) 3.859 19.079 ( -2.608 -0.507 3.537) 4.424 ======================= Grid point 631 (241/417) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -2.498 1.647 0.836) 3.107 1.834 ( -2.557 2.344 -3.870) 5.197 2.408 ( -8.631 2.474 9.206) 12.859 5.271 ( 16.351 -1.063 -1.412) 16.446 6.046 ( -31.718 -9.340 -4.411) 33.357 7.685 ( -16.519 10.964 2.857) 20.031 8.333 ( -8.007 4.153 -8.135) 12.146 8.931 ( -7.646 -5.152 16.746) 19.116 9.521 ( -3.040 -4.273 -4.450) 6.877 11.141 ( 17.182 3.526 -9.325) 19.864 18.653 ( 2.445 -0.919 -4.534) 5.232 19.090 ( 1.180 1.623 9.500) 9.710 ======================= Grid point 640 (242/417) ======================= q-point: ( 0.44 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 0.000 2.515 5.316) 5.881 1.564 ( 0.000 -2.099 8.375) 8.634 2.601 ( 0.000 -3.170 13.425) 13.794 4.179 ( -0.000 22.014 -17.219) 27.949 6.172 ( 0.000 -19.930 -3.244) 20.192 6.801 ( -0.000 46.601 -1.383) 46.621 7.618 ( 0.000 -2.104 12.966) 13.136 9.281 ( -0.000 2.218 -4.775) 5.265 9.410 ( 0.000 9.997 11.458) 15.206 10.681 ( -0.000 6.397 -23.096) 23.966 18.612 ( 0.000 -1.563 0.897) 1.802 19.907 ( 0.000 -18.695 14.843) 23.871 ======================= Grid point 641 (243/417) ======================= q-point: ( 0.50 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 1.558 -0.282 4.542) 4.810 1.586 ( 2.640 -0.792 6.602) 7.155 2.611 ( 0.693 -3.719 10.316) 10.988 4.474 ( 14.947 21.230 -15.352) 30.163 5.884 ( -6.407 -20.806 -3.605) 22.067 7.238 ( -2.823 41.566 1.151) 41.677 7.731 ( 9.270 0.067 11.739) 14.958 9.278 ( -0.958 3.911 -5.023) 6.438 9.551 ( 1.689 7.181 7.897) 10.807 10.662 ( -0.420 2.380 -16.346) 16.524 18.601 ( -0.460 -0.133 0.251) 0.541 19.749 ( -2.127 -17.064 11.640) 20.765 ======================= Grid point 642 (244/417) ======================= q-point: ( 0.56 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 1.217 -1.847 4.090) 4.649 1.669 ( 4.033 0.193 3.557) 5.380 2.620 ( 1.308 -3.829 7.053) 8.131 5.011 ( 25.889 21.049 -12.943) 35.789 5.543 ( -8.643 -16.274 -2.248) 18.563 7.539 ( -1.801 25.151 4.742) 25.657 7.987 ( 10.317 6.707 8.148) 14.758 9.302 ( -0.264 6.378 -6.189) 8.891 9.660 ( 1.330 4.264 5.999) 7.480 10.594 ( -2.153 -2.306 -10.575) 11.036 18.592 ( -0.871 0.471 -0.194) 1.009 19.574 ( -3.223 -14.258 8.139) 16.731 ======================= Grid point 643 (245/417) ======================= q-point: ( 0.62 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 1.506 -1.429 2.351) 3.137 1.744 ( 3.268 0.231 1.851) 3.763 2.627 ( 1.649 -3.378 3.768) 5.323 5.208 ( -8.242 -10.211 -3.162) 13.498 5.737 ( 30.474 21.620 -7.311) 38.073 7.735 ( 0.331 12.271 5.549) 13.471 8.230 ( 6.335 6.171 5.674) 10.507 9.344 ( -0.971 7.483 -7.201) 10.430 9.721 ( -0.043 1.803 5.403) 5.696 10.483 ( -2.303 -5.071 -6.081) 8.246 18.578 ( -1.151 0.339 -0.274) 1.231 19.409 ( -3.405 -10.658 4.660) 12.121 ======================= Grid point 644 (246/417) ======================= q-point: ( 0.69 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 1.361 -0.664 0.922) 1.773 1.801 ( 2.351 0.449 0.592) 2.466 2.633 ( 1.331 -2.264 1.032) 2.822 4.986 ( -6.126 -6.024 -0.923) 8.641 6.485 ( 27.849 25.939 -4.446) 38.317 7.811 ( -1.311 -0.663 3.504) 3.799 8.365 ( 3.219 1.780 3.277) 4.926 9.348 ( -3.743 4.932 -6.077) 8.676 9.729 ( -2.097 0.063 5.184) 5.592 10.407 ( 1.226 -3.090 -3.241) 4.643 18.559 ( -0.904 -0.004 -0.077) 0.907 19.274 ( -3.072 -6.853 1.803) 7.723 ======================= Grid point 645 (247/417) ======================= q-point: ( 0.75 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 0.730 0.114 0.135) 0.751 1.841 ( 1.450 0.746 -0.332) 1.664 2.632 ( -0.060 -0.513 -0.166) 0.543 4.875 ( -1.472 -2.321 -0.022) 2.748 7.154 ( 10.646 34.190 1.464) 35.839 7.671 ( -0.619 -20.574 -2.665) 20.755 8.425 ( 2.249 0.068 0.572) 2.322 9.269 ( -6.517 0.193 -0.142) 6.522 9.689 ( -2.616 -1.985 2.148) 3.924 10.458 ( 5.923 2.160 -1.997) 6.613 18.551 ( 0.128 -0.127 0.010) 0.181 19.176 ( -2.559 -3.412 0.399) 4.284 ======================= Grid point 646 (248/417) ======================= q-point: (-0.19 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -0.118 0.762 0.012) 0.771 1.865 ( 0.465 1.141 -1.064) 1.627 2.618 ( -2.427 1.600 1.074) 3.099 4.888 ( 4.449 -0.342 -0.308) 4.473 7.089 ( -26.121 -10.705 1.038) 28.249 7.802 ( 13.687 15.066 -2.170) 20.470 8.451 ( 0.418 0.693 -1.891) 2.057 9.145 ( -6.065 -4.019 6.504) 9.759 9.610 ( -2.460 -4.929 -2.177) 5.924 10.632 ( 9.879 5.439 -2.370) 11.524 18.564 ( 1.529 -0.057 -0.487) 1.606 19.120 ( -1.696 -0.642 1.193) 2.170 ======================= Grid point 647 (249/417) ======================= q-point: (-0.12 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -0.849 1.291 0.505) 1.625 1.872 ( -0.699 1.656 -1.748) 2.507 2.588 ( -4.923 3.562 4.792) 7.739 5.015 ( 10.459 -0.150 -1.437) 10.558 6.394 ( -29.137 -26.017 -3.413) 39.211 8.085 ( -5.851 23.630 3.421) 24.583 8.442 ( -2.586 3.786 -4.089) 6.143 9.031 ( -4.271 -6.288 11.116) 13.466 9.487 ( -2.707 -7.712 -5.588) 9.901 10.885 ( 13.487 5.712 -4.740) 15.394 18.594 ( 2.172 0.032 -1.813) 2.829 19.118 ( 0.265 1.180 4.440) 4.602 ======================= Grid point 657 (250/417) ======================= q-point: ( 0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 0.000 0.685 3.716) 3.779 1.566 ( 0.000 -2.649 7.393) 7.854 2.597 ( 0.000 -4.117 8.297) 9.263 4.480 ( -0.000 17.954 -14.871) 23.313 5.727 ( 0.000 -18.451 -3.843) 18.847 7.658 ( 0.000 -2.704 13.178) 13.453 7.710 ( -0.000 40.090 0.862) 40.099 9.292 ( -0.000 2.026 -4.606) 5.032 9.622 ( -0.000 6.153 1.921) 6.446 10.651 ( -0.000 1.507 -8.491) 8.623 18.610 ( -0.000 0.848 -0.095) 0.854 19.634 ( 0.000 -15.933 9.367) 18.482 ======================= Grid point 658 (251/417) ======================= q-point: ( 0.56 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 0.217 -2.072 5.497) 5.879 1.613 ( 3.402 -0.416 4.198) 5.419 2.584 ( 0.633 -4.110 6.165) 7.436 4.756 ( 17.077 15.739 -13.249) 26.737 5.502 ( -4.956 -13.811 -2.962) 14.970 7.695 ( 2.242 -0.440 12.230) 12.442 8.093 ( 1.040 29.261 2.508) 29.387 9.314 ( 1.714 3.047 -4.838) 5.969 9.676 ( 0.809 3.034 -3.056) 4.382 10.616 ( -2.998 -0.218 -1.497) 3.358 18.615 ( -0.687 1.335 -0.357) 1.543 19.497 ( -1.373 -13.573 6.656) 15.180 ======================= Grid point 659 (252/417) ======================= q-point: ( 0.62 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 1.003 -1.741 4.280) 4.729 1.688 ( 3.925 -0.414 3.084) 5.009 2.578 ( 1.283 -3.708 3.898) 5.531 5.208 ( 5.496 0.438 -8.577) 10.196 5.356 ( 17.869 5.145 -3.811) 18.981 7.791 ( 4.193 -0.752 11.181) 11.965 8.340 ( -1.769 18.191 3.767) 18.662 9.377 ( 2.190 4.891 -5.683) 7.812 9.687 ( 1.776 -1.702 -7.015) 7.434 10.538 ( -5.834 -0.115 4.526) 7.384 18.608 ( -1.441 1.247 -0.317) 1.932 19.363 ( -1.886 -10.289 3.690) 11.092 ======================= Grid point 660 (253/417) ======================= q-point: ( 0.69 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 1.496 -0.961 2.710) 3.242 1.758 ( 3.299 -0.195 2.114) 3.923 2.582 ( 1.936 -2.913 1.667) 3.874 5.056 ( -7.238 -2.729 -1.517) 7.882 6.026 ( 37.963 11.163 -7.055) 40.194 7.868 ( 0.855 -2.007 9.780) 10.020 8.425 ( -3.941 6.566 4.339) 8.801 9.415 ( -1.441 4.125 -8.695) 9.731 9.675 ( 3.870 -5.084 -6.278) 8.957 10.465 ( -5.763 3.188 8.128) 10.461 18.589 ( -1.850 0.898 0.049) 2.057 19.252 ( -1.750 -6.622 0.888) 6.907 ======================= Grid point 661 (254/417) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 1.488 -0.164 1.254) 1.953 1.813 ( 2.432 0.158 1.369) 2.795 2.599 ( 2.368 -1.717 -0.123) 2.928 4.931 ( -5.597 1.112 -0.124) 5.707 6.777 ( 38.453 4.347 -5.609) 39.103 7.792 ( -10.373 -3.173 7.990) 13.472 8.413 ( -0.878 -0.146 3.308) 3.426 9.347 ( -4.137 -0.473 -10.137) 10.959 9.665 ( 1.298 -5.237 -1.050) 5.497 10.479 ( -1.631 7.844 6.914) 10.582 18.567 ( -1.503 0.725 0.443) 1.727 19.175 ( -1.312 -3.260 -1.037) 3.664 ======================= Grid point 662 (255/417) ======================= q-point: (-0.19 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 1.009 0.394 0.297) 1.124 1.856 ( 1.540 0.577 0.724) 1.797 2.628 ( 2.134 -0.151 -0.862) 2.307 4.884 ( -2.370 3.274 0.388) 4.060 7.099 ( 1.129 -31.141 -0.958) 31.176 7.781 ( 10.081 22.671 1.959) 24.889 8.432 ( 1.922 -0.241 1.731) 2.598 9.210 ( -5.388 -4.390 -5.859) 9.090 9.592 ( -2.702 -6.440 1.148) 7.078 10.603 ( 2.627 10.282 3.345) 11.127 18.559 ( -0.463 0.862 0.488) 1.094 19.133 ( -0.661 -0.699 -1.422) 1.717 ======================= Grid point 663 (256/417) ======================= q-point: (-0.12 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 0.408 0.706 0.000) 0.815 1.884 ( 0.590 1.022 -0.000) 1.180 2.662 ( 0.930 1.610 -0.000) 1.859 4.916 ( 2.024 3.505 -0.000) 4.048 6.512 ( -21.015 -36.400 0.000) 42.031 8.286 ( 12.148 21.041 -0.000) 24.296 8.482 ( 2.547 4.412 0.000) 5.095 9.040 ( -4.872 -8.439 0.000) 9.745 9.457 ( -4.476 -7.752 -0.000) 8.952 10.783 ( 5.522 9.565 -0.000) 11.045 18.572 ( 0.638 1.105 0.000) 1.276 19.129 ( 0.477 0.826 -0.000) 0.954 ======================= Grid point 675 (257/417) ======================= q-point: ( 0.56 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 0.000 -2.684 7.997) 8.435 1.582 ( 0.000 -0.426 2.558) 2.593 2.555 ( 0.000 -4.122 4.853) 6.367 4.698 ( -0.000 12.342 -12.548) 17.600 5.418 ( 0.000 -9.227 -2.784) 9.637 7.680 ( 0.000 -3.814 12.982) 13.530 8.386 ( -0.000 24.139 3.043) 24.330 9.302 ( -0.000 1.845 -4.321) 4.698 9.672 ( -0.000 0.886 -9.204) 9.246 10.657 ( 0.000 1.045 5.339) 5.440 18.637 ( -0.000 1.876 -0.435) 1.926 19.398 ( 0.000 -11.773 4.606) 12.642 ======================= Grid point 676 (258/417) ======================= q-point: ( 0.62 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -0.029 -2.100 5.989) 6.347 1.624 ( 3.559 -1.130 3.912) 5.408 2.534 ( 0.683 -3.962 3.075) 5.062 4.927 ( 17.579 9.123 -11.213) 22.759 5.309 ( -3.522 -3.398 -1.465) 5.109 7.719 ( 3.997 -4.294 12.346) 13.669 8.568 ( -2.447 12.867 4.668) 13.905 9.339 ( 3.463 2.325 -4.174) 5.901 9.619 ( -0.584 -3.010 -13.660) 14.000 10.671 ( -3.827 3.582 10.174) 11.445 18.647 ( -1.036 1.939 -0.185) 2.206 19.296 ( -0.673 -9.029 2.035) 9.280 ======================= Grid point 677 (259/417) ======================= q-point: (-0.31 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 1.065 -1.630 4.307) 4.727 1.695 ( 4.110 -1.074 3.690) 5.627 2.521 ( 1.591 -3.738 0.908) 4.163 5.161 ( -4.242 2.401 -3.227) 5.846 5.462 ( 29.783 4.934 -5.899) 30.760 7.799 ( 5.302 -5.053 11.109) 13.306 8.584 ( -5.507 0.459 6.243) 8.338 9.420 ( 2.302 2.940 -6.692) 7.663 9.517 ( 2.065 -6.285 -13.738) 15.247 10.672 ( -6.518 7.294 12.893) 16.184 18.638 ( -2.013 1.650 0.504) 2.651 19.210 ( -0.693 -5.747 -0.812) 5.846 ======================= Grid point 678 (260/417) ======================= q-point: (-0.25 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 1.779 -1.006 2.340) 3.107 1.766 ( 3.579 -0.760 3.194) 4.857 2.522 ( 2.856 -3.483 -1.401) 4.717 5.084 ( -7.371 6.030 -0.310) 9.528 6.086 ( 37.928 -1.310 -5.165) 38.301 7.839 ( 1.106 -6.986 9.180) 11.589 8.459 ( -4.906 -7.130 6.025) 10.546 9.335 ( -2.418 -3.839 -17.363) 17.946 9.560 ( 5.201 -1.770 -1.287) 5.642 10.690 ( -6.480 11.085 12.539) 17.947 18.617 ( -2.395 1.420 1.339) 3.090 19.151 ( -0.357 -2.635 -3.284) 4.226 ======================= Grid point 679 (261/417) ======================= q-point: (-0.19 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 1.903 -0.444 0.568) 2.035 1.826 ( 2.735 -0.298 2.605) 3.789 2.543 ( 4.354 -3.113 -3.471) 6.379 5.032 ( -7.008 8.415 0.916) 10.989 6.580 ( 24.549 -19.693 -1.199) 31.494 7.792 ( 2.816 -2.332 3.606) 5.135 8.389 ( 2.004 -4.502 5.027) 7.040 9.190 ( -2.382 -5.720 -15.359) 16.562 9.580 ( -0.494 -3.912 2.968) 4.936 10.762 ( -3.844 13.975 9.030) 17.077 18.598 ( -1.967 1.549 1.853) 3.115 19.121 ( 0.139 -0.357 -4.622) 4.638 ======================= Grid point 692 (262/417) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 0.000 -2.879 9.276) 9.712 1.578 ( 0.000 -1.323 1.747) 2.192 2.494 ( 0.000 -4.196 1.351) 4.408 4.806 ( -0.000 5.853 -10.396) 11.931 5.330 ( -0.000 2.111 -1.326) 2.493 7.675 ( 0.000 -5.050 12.315) 13.310 8.682 ( 0.000 0.933 6.171) 6.241 9.309 ( -0.000 1.625 -3.945) 4.266 9.536 ( -0.000 -5.008 -16.433) 17.180 10.801 ( 0.000 7.271 13.233) 15.099 18.678 ( -0.000 2.148 0.408) 2.187 19.223 ( 0.000 -6.864 -0.389) 6.875 ======================= Grid point 693 (263/417) ======================= q-point: (-0.31 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -0.093 -2.505 5.151) 5.729 1.621 ( 3.929 -2.201 5.183) 6.867 2.457 ( 0.834 -4.513 -1.089) 4.717 4.974 ( 17.286 2.276 -9.309) 19.765 5.345 ( -3.058 7.254 -0.131) 7.873 7.696 ( 3.719 -5.715 11.511) 13.379 8.624 ( -2.678 -12.073 7.647) 14.540 9.352 ( 4.323 1.187 -3.573) 5.733 9.408 ( -1.429 -5.574 -18.437) 19.314 10.904 ( -3.894 10.356 15.154) 18.763 18.690 ( -1.310 1.801 1.644) 2.768 19.159 ( -0.104 -3.963 -3.506) 5.292 ======================= Grid point 694 (264/417) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 1.427 -2.359 3.176) 4.206 1.693 ( 4.588 -2.135 5.067) 7.161 2.426 ( 2.054 -4.988 -3.920) 6.668 5.259 ( 3.184 7.242 -4.322) 9.014 5.471 ( 20.664 0.767 -1.860) 20.761 7.739 ( 3.738 -8.226 9.694) 13.252 8.423 ( -2.961 -19.620 8.010) 21.398 9.253 ( -1.634 -6.281 -19.295) 20.357 9.452 ( 5.916 0.872 -2.109) 6.341 10.978 ( -6.500 12.662 15.579) 21.102 18.681 ( -2.273 1.301 3.148) 4.094 19.117 ( 0.095 -1.015 -6.645) 6.723 ======================= Grid point 695 (265/417) ======================= q-point: (-0.19 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 2.423 -1.900 0.968) 3.228 1.768 ( 4.202 -1.728 4.636) 6.491 2.405 ( 3.915 -5.613 -6.778) 9.632 5.284 ( -7.919 12.928 0.187) 15.162 5.909 ( 30.088 -13.328 -1.715) 32.953 7.678 ( 0.879 -14.879 5.040) 15.734 8.278 ( 3.991 -12.649 8.217) 15.603 9.093 ( -1.333 -7.535 -18.549) 20.065 9.534 ( 3.264 -1.643 0.791) 3.738 11.048 ( -6.684 14.900 13.542) 21.215 18.663 ( -2.460 1.239 4.210) 5.031 19.096 ( 0.367 1.049 -8.812) 8.882 ======================= Grid point 709 (266/417) ======================= q-point: (-0.31 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 0.000 -2.374 1.193) 2.657 1.560 ( 0.000 -4.312 9.914) 10.811 2.392 ( -0.000 -5.221 -3.899) 6.516 4.791 ( -0.000 -1.053 -8.926) 8.988 5.479 ( -0.000 12.595 -0.317) 12.599 7.643 ( 0.000 -5.828 11.493) 12.886 8.485 ( 0.000 -24.490 8.399) 25.890 9.297 ( -0.000 -6.238 -19.034) 20.030 9.314 ( -0.000 1.318 -3.585) 3.820 11.107 ( 0.000 11.942 17.025) 20.795 18.726 ( 0.000 1.001 3.712) 3.845 19.115 ( -0.000 -1.103 -7.253) 7.336 ======================= Grid point 710 (267/417) ======================= q-point: (-0.25 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 0.092 -3.878 3.551) 5.259 1.599 ( 4.532 -4.049 6.513) 8.908 2.325 ( 0.919 -5.947 -7.028) 9.252 4.890 ( 17.158 -4.905 -8.048) 19.576 5.587 ( -4.256 15.965 0.234) 16.524 7.639 ( 1.725 -7.672 10.438) 13.069 8.216 ( 0.108 -31.286 8.843) 32.512 9.149 ( -1.562 -7.157 -19.119) 20.474 9.358 ( 4.471 0.926 -3.274) 5.618 11.256 ( -3.737 12.537 18.072) 22.311 18.734 ( -1.199 -0.291 6.011) 6.136 19.090 ( 0.016 2.139 -11.127) 11.331 ======================= Grid point 711 (268/417) ======================= q-point: (-0.19 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 2.144 -4.076 1.633) 4.887 1.671 ( 5.634 -3.927 6.157) 9.223 2.259 ( 2.179 -6.799 -10.125) 12.389 5.186 ( 25.374 -9.959 -5.937) 27.898 5.657 ( -6.288 16.102 1.393) 17.342 7.523 ( -2.599 -21.877 6.758) 23.044 8.039 ( 8.095 -19.191 10.297) 23.234 8.973 ( -1.772 -8.836 -19.336) 21.333 9.444 ( 5.205 -0.555 -1.429) 5.426 11.359 ( -5.896 13.368 17.095) 22.487 18.724 ( -1.641 -0.928 7.420) 7.656 19.081 ( -0.185 4.320 -13.734) 14.399 ======================= Grid point 726 (269/417) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 0.000 -3.893 0.897) 3.995 1.510 ( 0.000 -7.376 9.330) 11.894 2.226 ( -0.000 -6.511 -9.952) 11.892 4.645 ( -0.000 -7.406 -8.498) 11.272 5.809 ( -0.000 19.488 -0.638) 19.499 7.598 ( 0.000 -5.876 10.995) 12.467 7.866 ( 0.000 -40.593 9.057) 41.591 9.021 ( -0.000 -8.732 -19.152) 21.049 9.313 ( -0.000 0.846 -3.511) 3.612 11.476 ( 0.000 11.547 19.868) 22.980 18.754 ( 0.000 -2.612 8.238) 8.643 19.088 ( -0.000 5.918 -14.884) 16.017 ======================= Grid point 727 (270/417) ======================= q-point: (-0.19 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 0.314 -6.864 2.785) 7.414 1.535 ( 5.849 -6.559 5.760) 10.507 2.127 ( 0.686 -6.919 -12.271) 14.103 4.673 ( 15.865 -10.977 -7.705) 20.774 5.965 ( -5.296 20.626 -0.715) 21.308 7.359 ( -6.783 -35.166 8.646) 36.843 7.714 ( 10.825 -14.431 10.947) 21.101 8.844 ( -1.634 -10.394 -18.983) 21.704 9.348 ( 4.117 0.057 -3.026) 5.109 11.626 ( -3.208 10.914 19.824) 22.856 18.744 ( -0.345 -3.767 8.383) 9.197 19.103 ( -0.726 8.169 -16.209) 18.165 ======================= Grid point 743 (271/417) ======================= q-point: (-0.19 -0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 0.000 -12.186 6.341) 13.737 1.401 ( 0.000 -6.166 0.962) 6.240 2.010 ( -0.000 -6.779 -12.758) 14.448 4.389 ( -0.000 -11.666 -9.052) 14.766 6.224 ( -0.000 21.264 -1.860) 21.345 7.018 ( 0.000 -47.915 9.577) 48.862 7.557 ( 0.000 -5.421 11.074) 12.330 8.683 ( -0.000 -12.132 -18.111) 21.799 9.299 ( -0.000 0.170 -3.953) 3.957 11.822 ( 0.000 8.879 20.885) 22.695 18.725 ( 0.000 -4.887 6.177) 7.876 19.152 ( -0.000 9.993 -15.098) 18.106 ======================= Grid point 830 (272/417) ======================= q-point: ( 0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.213 ( 0.000 -0.000 8.122) 8.122 0.213 ( 0.000 -0.000 8.122) 8.122 1.824 ( 0.000 -0.000 56.092) 56.092 2.990 ( -0.000 0.000 -27.117) 27.117 2.990 ( -0.000 0.000 -27.117) 27.117 7.640 ( 0.000 -0.000 14.821) 14.821 7.640 ( 0.000 -0.000 14.821) 14.821 8.474 ( -0.000 0.000 -13.176) 13.176 9.076 ( -0.000 0.000 -5.997) 5.997 9.076 ( -0.000 0.000 -5.997) 5.997 19.741 ( -0.000 0.000 -0.024) 0.024 21.734 ( 0.000 -0.000 1.037) 1.037 ======================= Grid point 831 (273/417) ======================= q-point: ( 0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 17.716 10.229 8.781) 22.262 0.759 ( 24.313 14.037 8.573) 29.354 2.029 ( 1.766 1.020 52.397) 52.437 2.838 ( -0.314 -0.181 -29.418) 29.420 3.210 ( 22.494 12.987 -26.458) 37.077 7.624 ( -2.192 -1.266 12.780) 13.028 7.814 ( 5.549 3.204 16.954) 18.125 8.116 ( -13.680 -7.898 5.670) 16.783 8.989 ( -2.491 -1.438 -8.379) 8.859 9.792 ( 41.954 24.222 -39.174) 62.301 19.569 ( -14.267 -8.237 1.806) 16.573 21.277 ( -30.140 -17.401 26.995) 44.045 ======================= Grid point 832 (274/417) ======================= q-point: ( 0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 16.639 9.607 12.661) 23.010 1.219 ( 12.511 7.223 10.650) 17.948 2.243 ( 2.419 1.397 43.996) 44.085 2.788 ( 4.724 2.728 -29.496) 29.997 3.865 ( 39.261 22.668 -21.136) 50.020 7.475 ( -14.258 -8.232 5.794) 17.453 8.008 ( 5.873 3.391 17.869) 19.112 8.030 ( 3.092 1.785 14.788) 15.213 8.906 ( -1.797 -1.038 -10.501) 10.704 10.515 ( 31.658 18.278 -47.927) 60.276 19.181 ( -17.488 -10.097 6.156) 21.111 20.782 ( -21.136 -12.203 34.574) 42.320 ======================= Grid point 833 (275/417) ======================= q-point: ( 0.38 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 11.193 6.463 13.881) 18.967 1.464 ( 6.604 3.813 8.529) 11.441 2.434 ( 2.621 1.513 35.187) 35.317 2.878 ( 11.182 6.456 -25.684) 28.747 4.831 ( 46.738 26.984 -14.840) 55.971 7.071 ( -20.186 -11.654 2.034) 23.397 8.204 ( 5.726 3.306 17.549) 18.753 8.244 ( 8.975 5.182 17.150) 20.038 8.835 ( -1.055 -0.609 -12.026) 12.088 10.968 ( 20.447 11.805 -42.158) 48.319 18.861 ( -11.069 -6.391 5.626) 13.965 20.458 ( -16.627 -9.600 28.932) 34.723 ======================= Grid point 834 (276/417) ======================= q-point: ( 0.44 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 4.937 2.851 9.729) 11.276 1.614 ( 4.718 2.724 4.518) 7.077 2.603 ( 2.878 1.662 26.773) 26.979 3.137 ( 16.466 9.506 -16.671) 25.287 5.887 ( 45.024 25.995 -10.512) 53.041 6.584 ( -20.056 -11.579 -0.420) 23.162 8.386 ( 4.871 2.812 14.995) 16.015 8.528 ( 9.937 5.737 17.393) 20.837 8.778 ( -0.267 -0.154 -11.772) 11.776 11.209 ( 11.354 6.555 -33.795) 36.249 18.693 ( -4.917 -2.839 2.899) 6.376 20.174 ( -15.085 -8.709 22.141) 28.172 ======================= Grid point 835 (277/417) ======================= q-point: ( 0.50 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 1.314 0.759 4.284) 4.545 1.723 ( 3.860 2.229 0.807) 4.530 2.742 ( 2.547 1.471 17.135) 17.386 3.504 ( 17.511 10.110 -6.794) 21.331 6.020 ( -20.140 -11.628 -1.773) 23.323 6.965 ( 41.899 24.191 -7.174) 48.910 8.503 ( 1.500 0.866 3.627) 4.020 8.766 ( 2.164 1.249 -3.088) 3.972 8.812 ( 9.291 5.364 16.177) 19.411 11.284 ( 3.764 2.173 -25.933) 26.295 18.630 ( -1.370 -0.791 0.795) 1.770 19.900 ( -13.591 -7.847 15.497) 22.056 ======================= Grid point 836 (278/417) ======================= q-point: ( 0.56 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -0.272 -0.157 0.604) 0.681 1.801 ( 3.005 1.735 -1.907) 3.960 2.823 ( 0.593 0.342 6.239) 6.276 3.883 ( 15.229 8.793 0.993) 17.613 5.575 ( -16.382 -9.458 -0.374) 18.920 7.848 ( 33.733 19.476 -4.131) 39.170 8.470 ( -2.624 -1.515 -10.379) 10.812 8.862 ( 4.462 2.576 7.925) 9.453 9.066 ( 8.320 4.804 12.326) 15.628 11.226 ( -1.763 -1.018 -18.788) 18.898 18.620 ( 0.193 0.112 -0.177) 0.285 19.646 ( -11.605 -6.700 9.205) 16.258 ======================= Grid point 837 (279/417) ======================= q-point: ( 0.62 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -1.085 -0.627 -1.445) 1.912 1.849 ( 1.874 1.082 -4.000) 4.548 2.792 ( -3.881 -2.241 -3.575) 5.733 4.207 ( 11.124 6.422 6.849) 14.557 5.291 ( -7.517 -4.340 2.257) 8.968 8.337 ( -4.817 -2.781 -14.911) 15.914 8.468 ( 18.920 10.923 1.883) 21.928 8.996 ( 4.244 2.450 9.381) 10.584 9.265 ( 5.267 3.041 3.684) 7.111 11.118 ( -1.615 -0.932 -12.028) 12.171 18.634 ( 1.105 0.638 -0.162) 1.287 19.420 ( -9.537 -5.506 3.685) 11.613 ======================= Grid point 838 (280/417) ======================= q-point: (-0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -1.741 -1.005 -2.419) 3.145 1.858 ( 0.289 0.167 -6.645) 6.653 2.617 ( -9.125 -5.268 -7.460) 12.910 4.440 ( 5.969 3.446 11.054) 13.027 5.252 ( 3.189 1.841 3.690) 5.213 8.152 ( -6.296 -3.635 -16.623) 18.143 8.750 ( 4.353 2.513 7.296) 8.860 9.116 ( 3.338 1.927 8.403) 9.245 9.250 ( -7.875 -4.547 -4.019) 9.942 11.144 ( 7.384 4.263 -7.654) 11.458 18.676 ( 2.503 1.445 0.625) 2.957 19.222 ( -7.936 -4.582 -0.390) 9.173 ======================= Grid point 839 (281/417) ======================= q-point: (-0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -2.539 -1.466 -2.620) 3.932 1.805 ( -2.631 -1.519 -11.746) 12.132 2.351 ( -11.148 -6.436 -1.811) 13.000 4.554 ( 0.234 0.135 13.282) 13.285 5.445 ( 11.729 6.772 3.101) 13.894 7.940 ( -6.854 -3.957 -16.756) 18.531 8.655 ( -17.868 -10.316 -4.274) 21.070 8.972 ( -9.928 -5.732 8.821) 14.465 9.207 ( 2.249 1.298 6.939) 7.409 11.377 ( 13.321 7.691 -8.912) 17.777 18.762 ( 4.663 2.692 1.466) 5.581 19.044 ( -6.889 -3.977 -1.756) 8.146 ======================= Grid point 840 (282/417) ======================= q-point: (-0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -3.682 -2.126 -2.139) 4.759 1.635 ( -7.991 -4.614 -15.350) 17.910 2.131 ( -8.184 -4.725 8.628) 12.796 4.537 ( -5.455 -3.150 12.798) 14.264 5.795 ( 16.882 9.747 2.212) 19.618 7.731 ( -6.247 -3.607 -14.992) 16.637 7.963 ( -35.273 -20.365 -9.702) 41.869 8.839 ( -7.831 -4.521 16.511) 18.824 9.268 ( 1.162 0.671 5.435) 5.598 11.646 ( 11.991 6.923 -13.627) 19.427 18.849 ( -1.745 -1.007 -10.756) 10.943 18.946 ( 2.817 1.626 13.159) 13.555 ======================= Grid point 847 (283/417) ======================= q-point: ( 0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( -0.000 18.074 8.123) 19.815 0.847 ( -0.000 30.861 11.488) 32.930 2.201 ( 0.000 1.294 49.549) 49.565 2.912 ( -0.000 18.063 -28.864) 34.050 2.960 ( -0.000 10.675 -28.673) 30.596 7.635 ( 0.000 -4.797 14.784) 15.543 7.878 ( 0.000 2.048 11.956) 12.130 8.143 ( 0.000 -8.120 6.820) 10.604 9.113 ( -0.000 3.972 -5.836) 7.060 9.536 ( -0.000 38.164 -37.778) 53.700 19.574 ( 0.000 -15.944 1.606) 16.025 21.355 ( 0.000 -30.572 21.599) 37.432 ======================= Grid point 848 (284/417) ======================= q-point: ( 0.31 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 14.205 14.227 10.864) 22.852 1.212 ( 5.716 16.644 13.668) 22.283 2.369 ( 0.824 0.305 40.071) 40.081 2.823 ( -7.088 17.859 -27.593) 33.623 3.443 ( 28.912 28.592 -22.816) 46.626 7.593 ( -6.933 -9.030 8.731) 14.347 7.851 ( 4.875 -9.823 8.987) 14.178 8.213 ( -0.423 12.170 18.672) 22.292 9.009 ( -9.213 6.480 -9.211) 14.550 10.055 ( 26.224 26.503 -43.982) 57.658 19.305 ( -9.920 -17.643 4.358) 20.705 21.020 ( -12.597 -22.765 28.862) 38.858 ======================= Grid point 849 (285/417) ======================= q-point: ( 0.38 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 12.921 8.632 12.717) 20.079 1.451 ( 4.005 6.441 11.892) 14.105 2.507 ( 1.894 -0.395 29.640) 29.703 2.876 ( -0.970 23.566 -22.505) 32.600 4.316 ( 39.520 33.991 -15.371) 54.346 7.258 ( -15.982 -15.474 2.179) 22.353 7.985 ( 12.353 -6.118 14.250) 19.827 8.421 ( 0.454 14.645 19.715) 24.564 8.900 ( -6.862 6.628 -11.231) 14.736 10.569 ( 23.381 16.065 -42.318) 50.947 18.979 ( -10.171 -12.361 5.435) 16.905 20.690 ( -13.342 -16.420 27.295) 34.535 ======================= Grid point 850 (286/417) ======================= q-point: ( 0.44 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 7.147 3.329 8.306) 11.452 1.590 ( 3.264 2.516 9.187) 10.069 2.634 ( 3.065 -0.830 23.468) 23.681 3.114 ( 4.400 29.264 -15.541) 33.426 5.351 ( 43.508 32.085 -10.306) 55.033 6.783 ( -18.772 -17.089 -0.111) 25.385 8.206 ( 13.215 -5.237 13.702) 19.743 8.644 ( 1.196 13.162 18.806) 22.986 8.827 ( -5.246 7.723 -11.264) 14.630 10.913 ( 16.752 8.262 -35.895) 40.465 18.757 ( -6.029 -6.465 3.733) 9.596 20.387 ( -13.338 -13.852 22.028) 29.241 ======================= Grid point 851 (287/417) ======================= q-point: ( 0.50 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 2.787 0.265 3.400) 4.404 1.692 ( 2.961 1.764 4.491) 5.661 2.747 ( 3.078 -1.383 16.948) 17.281 3.490 ( 6.839 31.213 -7.363) 32.791 6.180 ( -5.997 -7.142 -2.010) 9.540 6.484 ( 30.057 17.997 -6.373) 35.607 8.403 ( 9.232 -3.843 7.276) 12.367 8.778 ( -0.862 5.518 -4.136) 6.949 8.879 ( 0.508 12.859 14.823) 19.629 11.091 ( 9.878 2.252 -28.594) 30.336 18.650 ( -2.328 -2.723 1.630) 3.936 20.087 ( -12.928 -12.159 16.042) 23.923 ======================= Grid point 852 (288/417) ======================= q-point: ( 0.56 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 0.623 -0.785 0.841) 1.308 1.765 ( 2.588 1.724 -0.245) 3.119 2.816 ( 1.677 -1.921 7.898) 8.299 3.905 ( 5.889 29.849 -0.082) 30.424 5.744 ( -16.571 -14.367 -0.334) 21.935 7.395 ( 38.779 21.602 -5.278) 44.702 8.463 ( 0.149 -0.409 -7.197) 7.210 8.854 ( 3.595 5.047 4.877) 7.885 9.068 ( 2.633 7.800 15.249) 17.329 11.123 ( 3.771 -2.216 -21.660) 22.097 18.616 ( -0.201 -0.999 0.292) 1.060 19.799 ( -11.747 -10.294 10.141) 18.623 ======================= Grid point 853 (289/417) ======================= q-point: ( 0.62 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -0.603 -0.783 -1.177) 1.537 1.815 ( 1.929 1.305 -3.099) 3.876 2.806 ( -1.686 -2.965 -1.298) 3.649 4.282 ( 2.822 26.797 5.510) 27.503 5.383 ( -10.055 -9.622 1.719) 14.023 8.147 ( 25.708 10.485 -4.195) 28.079 8.401 ( -2.139 4.990 -12.245) 13.394 9.003 ( 4.017 5.198 8.637) 10.851 9.219 ( 3.372 2.114 10.596) 11.319 11.057 ( 0.631 -4.144 -15.218) 15.784 18.617 ( 0.967 -0.349 -0.122) 1.036 19.538 ( -10.057 -8.229 4.869) 13.877 ======================= Grid point 854 (290/417) ======================= q-point: ( 0.69 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -1.443 -0.719 -2.171) 2.704 1.834 ( 0.587 0.783 -5.854) 5.935 2.682 ( -6.483 -4.369 -6.349) 10.071 4.572 ( -1.369 22.638 9.534) 24.602 5.232 ( -0.479 -3.166 3.342) 4.628 8.190 ( -6.160 -0.936 -16.138) 17.299 8.677 ( 11.737 7.409 1.980) 14.020 9.143 ( 2.210 5.744 8.047) 10.131 9.261 ( -1.209 -5.258 3.600) 6.486 11.019 ( 5.024 -1.487 -10.118) 11.394 18.643 ( 2.248 0.190 0.185) 2.264 19.312 ( -8.429 -6.281 0.974) 10.557 ======================= Grid point 855 (291/417) ======================= q-point: (-0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -2.269 -0.865 -2.505) 3.489 1.804 ( -1.938 0.210 -9.574) 9.771 2.469 ( -9.636 -4.874 -3.407) 11.323 4.750 ( -6.286 18.192 11.765) 22.558 5.315 ( 8.744 2.186 2.897) 9.468 7.991 ( -8.358 -1.417 -16.516) 18.565 8.776 ( -5.639 -4.398 -2.872) 7.706 9.085 ( -8.340 -9.363 8.498) 15.147 9.250 ( 0.243 5.942 6.644) 8.917 11.162 ( 13.274 2.772 -9.616) 16.624 18.706 ( 4.169 1.012 0.438) 4.313 19.121 ( -7.112 -4.569 -0.213) 8.456 ======================= Grid point 856 (292/417) ======================= q-point: (-0.19 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -3.404 -1.614 -2.637) 4.598 1.697 ( -6.244 0.095 -12.194) 13.700 2.260 ( -8.720 -3.935 5.624) 11.097 4.790 ( -12.158 13.680 11.461) 21.594 5.581 ( 16.020 4.887 1.466) 16.813 7.764 ( -8.714 -4.012 -14.228) 17.160 8.314 ( -27.241 -15.287 -10.347) 32.906 8.961 ( -5.536 -5.300 17.731) 19.317 9.318 ( -1.093 5.112 4.870) 7.145 11.416 ( 14.816 3.607 -13.491) 20.360 18.794 ( 3.730 0.383 -5.006) 6.254 18.992 ( -3.136 -1.420 7.357) 8.123 ======================= Grid point 864 (293/417) ======================= q-point: ( 0.31 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 0.000 15.482 10.660) 18.797 1.374 ( 0.000 11.436 15.019) 18.877 2.481 ( 0.000 -0.417 31.528) 31.531 3.049 ( -0.000 17.337 -28.729) 33.554 3.438 ( -0.000 47.042 -14.152) 49.125 7.645 ( 0.000 -3.968 14.992) 15.508 7.662 ( 0.000 -17.911 -0.149) 17.911 8.416 ( 0.000 14.349 20.243) 24.813 9.153 ( -0.000 3.891 -6.229) 7.344 9.949 ( -0.000 30.685 -45.763) 55.098 19.208 ( 0.000 -19.776 4.669) 20.319 20.970 ( 0.000 -24.140 26.516) 35.859 ======================= Grid point 865 (294/417) ======================= q-point: ( 0.38 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 9.865 10.298 11.337) 18.218 1.511 ( 1.143 4.394 12.896) 13.672 2.574 ( 0.451 -0.531 25.133) 25.142 3.115 ( -2.680 25.592 -24.036) 35.211 4.123 ( 21.765 48.055 -9.882) 53.672 7.335 ( -11.652 -18.679 0.537) 22.021 7.772 ( 10.020 -5.318 13.337) 17.509 8.633 ( -0.078 14.684 19.781) 24.635 9.085 ( -7.961 6.722 -8.536) 13.469 10.252 ( 16.363 21.406 -41.770) 49.706 18.988 ( -5.029 -15.567 4.984) 17.102 20.762 ( -6.562 -20.851 24.479) 32.818 ======================= Grid point 866 (295/417) ======================= q-point: ( 0.44 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 8.307 4.386 8.843) 12.901 1.599 ( 1.716 1.090 9.753) 9.963 2.659 ( 1.407 -0.985 20.817) 20.888 3.348 ( 2.654 33.589 -17.601) 38.015 5.024 ( 30.572 42.409 -6.983) 52.744 6.891 ( -15.468 -20.676 -0.950) 25.839 7.972 ( 12.694 -4.388 13.536) 19.069 8.821 ( -1.237 11.449 13.534) 17.770 9.014 ( -6.420 11.233 -4.933) 13.847 10.589 ( 16.645 11.663 -35.694) 41.075 18.786 ( -4.746 -9.283 3.857) 11.116 20.497 ( -9.420 -18.249 20.548) 29.052 ======================= Grid point 867 (296/417) ======================= q-point: ( 0.50 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 3.360 0.546 4.015) 5.264 1.672 ( 2.885 0.704 6.368) 7.026 2.738 ( 2.051 -2.062 16.047) 16.309 3.744 ( 4.871 38.809 -10.106) 40.398 5.960 ( 31.807 30.596 -4.422) 44.355 6.406 ( -13.227 -17.032 -2.379) 21.696 8.199 ( 12.427 -3.624 11.194) 17.113 8.873 ( -3.613 8.069 -5.398) 10.359 9.093 ( -2.749 13.865 13.314) 19.418 10.818 ( 12.701 3.852 -29.116) 31.998 18.664 ( -2.563 -4.482 2.093) 5.571 20.205 ( -10.620 -16.130 15.573) 24.809 ======================= Grid point 868 (297/417) ======================= q-point: ( 0.56 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 1.488 -1.013 1.412) 2.288 1.742 ( 2.236 1.215 1.873) 3.160 2.789 ( 1.645 -2.889 9.013) 9.606 4.202 ( 3.223 40.369 -3.123) 40.618 5.860 ( -15.418 -17.976 -0.558) 23.689 6.937 ( 36.393 24.903 -4.955) 44.375 8.378 ( 7.393 -1.911 3.313) 8.323 8.894 ( -0.608 8.331 -3.832) 9.191 9.223 ( -2.620 10.457 15.853) 19.172 10.918 ( 7.856 -2.135 -22.811) 24.220 18.610 ( -0.695 -1.944 0.697) 2.179 19.909 ( -10.566 -13.742 10.364) 20.197 ======================= Grid point 869 (298/417) ======================= q-point: ( 0.62 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 0.352 -1.089 -0.650) 1.316 1.790 ( 1.643 1.293 -1.234) 2.428 2.789 ( -0.257 -3.377 1.214) 3.598 4.630 ( -0.728 38.849 2.365) 38.927 5.457 ( -11.193 -13.377 1.097) 17.477 7.743 ( 32.129 15.449 -5.007) 36.000 8.431 ( 0.257 2.129 -7.517) 7.817 9.003 ( 3.858 6.213 3.928) 8.301 9.308 ( -3.268 6.073 14.696) 16.234 10.910 ( 4.005 -5.749 -17.114) 18.492 18.596 ( 0.497 -1.016 0.041) 1.131 19.632 ( -9.579 -10.963 5.546) 15.579 ======================= Grid point 870 (299/417) ======================= q-point: ( 0.69 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -0.630 -0.847 -1.826) 2.109 1.816 ( 0.764 1.220 -3.870) 4.129 2.713 ( -3.750 -3.628 -4.220) 6.711 4.947 ( -5.032 28.467 5.551) 29.436 5.248 ( -4.108 0.033 3.776) 5.580 8.184 ( 4.940 1.685 -11.746) 12.853 8.519 ( 12.126 8.307 -6.532) 16.085 9.143 ( 3.937 1.597 7.639) 8.741 9.327 ( -4.663 3.240 11.779) 13.076 10.864 ( 4.384 -5.570 -12.404) 14.286 18.606 ( 1.640 -0.668 0.039) 1.772 19.392 ( -8.200 -8.075 1.872) 11.659 ======================= Grid point 871 (300/417) ======================= q-point: (-0.25 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -1.572 -0.674 -2.416) 2.960 1.811 ( -0.958 1.255 -6.422) 6.613 2.564 ( -7.204 -3.315 -3.828) 8.805 5.073 ( 0.505 7.646 4.799) 9.041 5.327 ( -6.214 22.019 7.009) 23.929 8.079 ( -7.745 0.049 -15.540) 17.363 8.735 ( 4.884 -2.302 -6.944) 8.796 9.142 ( -4.233 -7.403 13.906) 16.313 9.355 ( -1.669 8.085 6.619) 10.581 10.917 ( 10.968 -1.957 -10.401) 15.242 18.644 ( 3.289 -0.268 0.089) 3.301 19.195 ( -6.807 -5.318 0.512) 8.653 ======================= Grid point 872 (301/417) ======================= q-point: (-0.19 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -2.785 -0.626 -2.640) 3.888 1.761 ( -3.685 1.813 -8.114) 9.094 2.392 ( -8.234 -2.373 2.519) 8.932 5.206 ( -1.045 12.226 6.214) 13.754 5.442 ( -2.955 14.850 3.843) 15.621 7.856 ( -10.412 -2.825 -13.406) 17.208 8.515 ( -15.329 -12.709 -10.071) 22.315 9.060 ( -4.634 -4.545 18.832) 19.919 9.423 ( -1.909 6.847 3.797) 8.059 11.120 ( 15.930 0.662 -12.429) 20.216 18.710 ( 4.260 -0.404 -2.185) 4.804 19.061 ( -4.251 -2.128 4.220) 6.357 ======================= Grid point 881 (302/417) ======================= q-point: ( 0.38 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 0.000 9.322 10.884) 14.331 1.570 ( 0.000 1.254 11.277) 11.346 2.641 ( 0.000 -1.457 22.576) 22.623 3.280 ( -0.000 23.422 -26.391) 35.285 4.477 ( -0.000 57.927 -3.777) 58.050 7.237 ( 0.000 -22.714 -2.976) 22.908 7.674 ( 0.000 -3.244 15.243) 15.584 8.849 ( 0.000 14.575 18.424) 23.492 9.185 ( -0.000 3.508 -6.692) 7.556 10.200 ( -0.000 22.888 -39.409) 45.573 18.891 ( 0.000 -14.002 4.530) 14.716 20.676 ( 0.000 -21.675 21.691) 30.665 ======================= Grid point 882 (303/417) ======================= q-point: ( 0.44 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 6.087 5.141 9.254) 12.211 1.613 ( 0.645 -0.420 9.070) 9.103 2.695 ( 0.437 -2.298 19.195) 19.337 3.506 ( 6.568 27.910 -22.389) 36.378 5.149 ( 10.555 54.416 -1.804) 55.460 6.890 ( -10.002 -23.385 -3.194) 25.634 7.781 ( 8.988 -3.470 14.531) 17.435 9.016 ( -3.421 11.070 9.445) 14.949 9.183 ( -1.574 7.776 -1.042) 8.002 10.377 ( 9.163 15.984 -32.937) 37.740 18.762 ( -2.109 -9.497 3.566) 10.362 20.485 ( -4.501 -20.714 18.372) 28.051 ======================= Grid point 883 (304/417) ======================= q-point: ( 0.50 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 4.451 1.358 5.445) 7.163 1.652 ( 1.792 -0.637 6.865) 7.123 2.738 ( 0.979 -3.195 15.043) 15.409 3.927 ( 12.480 33.369 -15.739) 38.948 5.889 ( 16.177 42.903 -0.615) 45.856 6.438 ( -12.753 -20.636 -3.452) 24.503 7.986 ( 12.176 -3.186 13.274) 18.292 9.018 ( -5.210 8.216 -6.004) 11.433 9.304 ( -0.616 11.653 11.975) 16.720 10.571 ( 9.951 7.374 -26.564) 29.309 18.662 ( -1.892 -5.066 2.197) 5.837 20.234 ( -7.167 -18.956 14.341) 24.826 ======================= Grid point 884 (305/417) ======================= q-point: ( 0.56 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 1.461 -1.147 2.628) 3.218 1.717 ( 2.745 0.597 3.498) 4.486 2.763 ( 1.084 -3.815 9.546) 10.337 4.473 ( 11.935 37.808 -8.617) 40.573 5.920 ( -13.610 -19.888 -1.178) 24.127 6.676 ( 22.445 32.477 -2.343) 39.547 8.208 ( 11.254 -2.560 9.953) 15.240 9.005 ( -3.338 9.434 -7.757) 12.661 9.434 ( -2.480 10.158 13.872) 17.371 10.684 ( 7.842 -0.195 -21.108) 22.518 18.606 ( -0.969 -2.283 0.951) 2.657 19.956 ( -8.303 -16.455 9.964) 20.952 ======================= Grid point 885 (306/417) ======================= q-point: ( 0.62 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 0.869 -1.322 0.461) 1.648 1.771 ( 1.792 0.895 0.631) 2.100 2.759 ( 0.331 -3.857 3.409) 5.158 5.009 ( 5.390 38.491 -2.746) 38.964 5.513 ( -10.669 -13.989 0.504) 17.601 7.371 ( 26.261 20.173 -3.456) 33.295 8.369 ( 6.238 -1.096 2.725) 6.895 9.049 ( -0.115 9.103 -3.723) 9.836 9.509 ( -4.737 7.626 14.221) 16.817 10.705 ( 5.428 -5.601 -16.616) 18.356 18.582 ( -0.152 -1.159 0.211) 1.188 19.685 ( -8.189 -13.271 5.757) 16.623 ======================= Grid point 886 (307/417) ======================= q-point: ( 0.69 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 0.203 -0.996 -1.114) 1.508 1.804 ( 0.999 1.169 -1.585) 2.208 2.715 ( -1.605 -3.267 -1.547) 3.955 5.139 ( -5.996 -6.504 0.196) 8.848 5.553 ( -1.825 37.345 4.407) 37.648 7.932 ( 21.434 6.806 -6.863) 23.512 8.434 ( 2.897 1.677 -4.820) 5.868 9.144 ( 1.727 5.056 3.410) 6.339 9.520 ( -6.448 5.619 13.283) 15.798 10.672 ( 4.821 -7.379 -13.088) 15.779 18.576 ( 0.705 -0.924 0.024) 1.163 19.445 ( -7.279 -9.713 2.379) 12.369 ======================= Grid point 887 (308/417) ======================= q-point: ( 0.75 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -0.653 -0.493 -1.951) 2.116 1.818 ( -0.086 1.470 -3.421) 3.724 2.627 ( -4.330 -2.091 -2.907) 5.619 5.025 ( 1.126 -5.741 1.412) 6.018 5.875 ( -10.019 39.753 7.263) 41.635 8.107 ( 0.466 -1.847 -12.896) 13.036 8.542 ( 9.256 -1.631 -6.638) 11.506 9.192 ( -1.769 -1.651 12.007) 12.248 9.514 ( -4.726 6.828 8.443) 11.842 10.675 ( 8.315 -4.962 -10.849) 14.542 18.590 ( 2.023 -0.853 -0.002) 2.195 19.252 ( -6.014 -6.158 0.797) 8.644 ======================= Grid point 888 (309/417) ======================= q-point: (-0.19 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -1.696 0.156 -2.040) 2.658 1.806 ( -1.706 1.994 -4.673) 5.360 2.512 ( -6.398 -0.611 0.447) 6.443 5.079 ( 9.082 -2.456 0.776) 9.440 6.023 ( -18.993 33.519 7.130) 39.181 7.950 ( -7.943 -4.528 -12.548) 15.526 8.529 ( -2.916 -8.888 -7.645) 12.081 9.158 ( -3.984 -3.359 17.513) 18.272 9.540 ( -2.732 5.803 2.808) 7.001 10.809 ( 14.216 -1.059 -10.903) 17.947 18.629 ( 3.360 -0.935 -1.010) 3.630 19.122 ( -4.061 -2.637 2.521) 5.459 ======================= Grid point 898 (310/417) ======================= q-point: ( 0.44 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 0.000 4.141 8.636) 9.578 1.627 ( 0.000 -1.324 8.033) 8.141 2.722 ( 0.000 -3.519 16.705) 17.072 3.623 ( -0.000 25.798 -22.557) 34.269 5.641 ( -0.000 56.018 0.645) 56.021 6.723 ( 0.000 -24.187 -5.286) 24.758 7.716 ( 0.000 -2.832 15.577) 15.832 9.206 ( -0.000 3.171 -6.899) 7.593 9.224 ( 0.000 12.010 11.634) 16.721 10.371 ( -0.000 16.099 -26.103) 30.668 18.703 ( 0.000 -7.227 2.911) 7.791 20.367 ( 0.000 -21.219 15.716) 26.405 ======================= Grid point 899 (311/417) ======================= q-point: ( 0.50 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 3.579 1.785 6.414) 7.558 1.642 ( 0.697 -1.606 6.835) 7.056 2.736 ( 0.358 -4.371 13.519) 14.212 3.926 ( 12.526 26.737 -19.181) 35.209 6.178 ( 0.887 29.063 2.256) 29.164 6.431 ( -5.698 -1.511 -5.734) 8.224 7.817 ( 8.181 -2.815 14.986) 17.304 9.161 ( -4.700 5.663 -6.809) 10.025 9.412 ( 3.338 9.019 7.566) 12.236 10.472 ( 3.169 10.703 -18.893) 21.945 18.645 ( -0.849 -4.149 1.963) 4.668 20.172 ( -3.383 -20.217 12.558) 24.039 ======================= Grid point 900 (312/417) ======================= q-point: ( 0.56 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 1.459 -1.021 3.726) 4.129 1.683 ( 2.869 -0.211 4.961) 5.735 2.737 ( 0.576 -4.763 9.541) 10.679 4.459 ( 21.540 28.500 -14.034) 38.382 5.922 ( -10.818 -21.191 -2.459) 23.919 6.823 ( 4.975 41.645 0.804) 41.949 8.018 ( 11.430 -2.286 13.084) 17.523 9.131 ( -3.494 7.929 -8.239) 11.957 9.567 ( 2.012 7.122 7.168) 10.303 10.544 ( 2.607 3.604 -13.645) 14.352 18.605 ( -0.899 -1.814 0.990) 2.253 19.934 ( -5.428 -17.994 9.055) 20.863 ======================= Grid point 901 (313/417) ======================= q-point: ( 0.62 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 0.772 -1.529 2.060) 2.679 1.745 ( 2.458 0.358 2.248) 3.350 2.723 ( 0.465 -4.492 5.100) 6.812 5.109 ( 20.379 28.648 -8.972) 36.284 5.539 ( -8.428 -14.477 -0.793) 16.771 7.303 ( 8.389 28.623 0.972) 29.843 8.230 ( 9.734 -1.479 9.285) 13.533 9.146 ( -1.788 9.299 -7.614) 12.151 9.670 ( -0.396 5.377 7.719) 9.415 10.542 ( 1.545 -2.784 -10.294) 10.775 18.580 ( -0.712 -0.739 0.295) 1.067 19.688 ( -6.153 -14.780 5.551) 16.945 ======================= Grid point 902 (314/417) ======================= q-point: ( 0.69 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 0.563 -1.068 0.402) 1.273 1.790 ( 1.566 0.761 0.333) 1.772 2.696 ( -0.220 -3.454 1.130) 3.641 5.161 ( -7.386 -10.766 -1.216) 13.113 5.842 ( 15.556 34.535 -1.385) 37.902 7.691 ( 11.479 12.512 -1.175) 17.020 8.370 ( 4.861 -0.587 3.279) 5.893 9.199 ( -0.244 7.716 -3.764) 8.588 9.710 ( -3.578 3.904 8.790) 10.262 10.491 ( 2.150 -6.103 -8.651) 10.803 18.565 ( -0.333 -0.574 0.025) 0.664 19.464 ( -5.822 -10.937 2.546) 12.649 ======================= Grid point 903 (315/417) ======================= q-point: ( 0.75 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 0.103 -0.307 -0.743) 0.810 1.819 ( 0.701 1.187 -1.077) 1.749 2.653 ( -1.627 -1.719 -1.034) 2.583 4.973 ( -2.690 -7.241 0.323) 7.731 6.400 ( 2.776 40.045 3.636) 40.306 7.913 ( 9.453 -4.717 -6.493) 12.400 8.426 ( 2.410 0.050 -1.815) 3.018 9.246 ( -0.824 2.521 3.332) 4.259 9.691 ( -5.275 2.966 7.699) 9.793 10.468 ( 5.273 -4.356 -7.954) 10.490 18.559 ( 0.525 -0.698 -0.007) 0.874 19.284 ( -4.837 -6.951 0.777) 8.504 ======================= Grid point 904 (316/417) ======================= q-point: (-0.19 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -0.604 0.547 -1.108) 1.375 1.831 ( -0.344 1.659 -2.079) 2.682 2.599 ( -3.435 0.360 -0.245) 3.463 4.930 ( 3.970 -3.796 0.251) 5.499 6.715 ( -15.041 36.215 6.550) 39.758 7.885 ( 2.830 -12.299 -10.468) 16.396 8.449 ( 1.433 -1.871 -3.784) 4.458 9.238 ( -2.639 -2.354 11.120) 11.668 9.648 ( -4.068 1.289 2.345) 4.870 10.554 ( 9.961 0.296 -7.651) 12.563 18.572 ( 1.783 -0.803 -0.403) 1.996 19.163 ( -3.281 -3.215 1.214) 4.751 ======================= Grid point 915 (317/417) ======================= q-point: ( 0.50 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 0.000 1.255 6.074) 6.202 1.640 ( 0.000 -2.083 6.603) 6.924 2.727 ( 0.000 -5.169 11.572) 12.674 3.994 ( -0.000 23.996 -19.099) 30.669 6.138 ( 0.000 -21.717 -3.450) 21.990 6.793 ( -0.000 48.654 -0.252) 48.654 7.765 ( 0.000 -2.919 16.019) 16.283 9.222 ( -0.000 2.962 -6.841) 7.455 9.477 ( -0.000 8.548 1.099) 8.619 10.512 ( -0.000 9.614 -9.578) 13.571 18.624 ( 0.000 -2.385 1.447) 2.789 20.034 ( 0.000 -19.902 10.310) 22.414 ======================= Grid point 916 (318/417) ======================= q-point: ( 0.56 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 1.445 -0.366 4.414) 4.659 1.652 ( 1.616 -1.479 6.112) 6.493 2.709 ( 0.222 -5.449 9.111) 10.619 4.312 ( 15.983 22.725 -16.470) 32.298 5.847 ( -5.974 -20.819 -3.742) 21.980 7.255 ( -2.156 43.223 2.048) 43.325 7.867 ( 8.202 -1.871 14.928) 17.136 9.216 ( -1.463 4.676 -7.330) 8.817 9.579 ( 3.123 5.506 -2.644) 6.860 10.562 ( -1.267 5.450 -2.905) 6.304 18.607 ( -0.550 -0.779 0.797) 1.242 19.847 ( -2.493 -18.171 7.706) 19.894 ======================= Grid point 917 (319/417) ======================= q-point: ( 0.62 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 0.467 -1.615 3.584) 3.959 1.707 ( 3.006 -0.296 3.926) 4.954 2.686 ( 0.381 -5.103 6.200) 8.039 4.880 ( 27.135 21.469 -12.806) 36.895 5.520 ( -7.618 -15.681 -2.287) 17.583 7.589 ( -2.678 29.121 5.063) 29.679 8.086 ( 9.965 2.655 11.286) 15.288 9.230 ( -0.816 7.139 -7.906) 10.684 9.668 ( 4.032 1.717 -4.351) 6.176 10.548 ( -3.844 1.105 1.526) 4.281 18.593 ( -0.939 0.077 0.245) 0.973 19.640 ( -3.844 -15.263 4.957) 16.501 ======================= Grid point 918 (320/417) ======================= q-point: ( 0.69 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 0.502 -1.222 2.348) 2.693 1.765 ( 2.377 0.195 2.132) 3.199 2.662 ( 0.463 -4.090 3.287) 5.267 5.177 ( -6.282 -8.887 -2.993) 11.287 5.666 ( 31.202 20.443 -6.723) 37.903 7.795 ( -1.936 15.557 6.407) 16.936 8.297 ( 5.678 3.755 7.376) 10.037 9.269 ( -0.720 7.435 -7.613) 10.665 9.725 ( 3.961 -1.420 -4.528) 6.182 10.473 ( -5.116 -1.028 4.022) 6.588 18.576 ( -1.136 0.217 -0.009) 1.157 19.445 ( -4.075 -11.549 2.389) 12.477 ======================= Grid point 919 (321/417) ======================= q-point: ( 0.75 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 0.505 -0.402 0.985) 1.177 1.809 ( 1.535 0.693 0.900) 1.910 2.643 ( 0.330 -2.451 0.987) 2.662 4.978 ( -5.504 -5.840 -0.666) 8.053 6.440 ( 30.696 24.508 -4.328) 39.517 7.854 ( -5.224 2.426 5.134) 7.716 8.399 ( 1.466 1.398 3.226) 3.809 9.290 ( -0.955 3.537 -5.257) 6.408 9.744 ( 1.630 -2.844 -2.282) 3.995 10.408 ( -2.548 0.888 3.400) 4.340 18.559 ( -0.877 0.054 0.018) 0.879 19.286 ( -3.450 -7.556 0.507) 8.322 ======================= Grid point 920 (322/417) ======================= q-point: ( 0.81 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 0.246 0.427 -0.000) 0.493 1.839 ( 0.676 1.170 0.000) 1.352 2.632 ( -0.214 -0.370 0.000) 0.427 4.875 ( -1.347 -2.333 -0.000) 2.694 7.162 ( 18.044 31.253 -0.000) 36.088 7.657 ( -9.494 -16.444 0.000) 18.987 8.428 ( 0.470 0.813 -0.000) 0.939 9.269 ( -1.237 -2.142 -0.000) 2.473 9.700 ( -2.247 -3.891 0.000) 4.493 10.448 ( 2.958 5.123 -0.000) 5.916 18.551 ( -0.022 -0.038 -0.000) 0.044 19.178 ( -2.224 -3.853 -0.000) 4.449 ======================= Grid point 933 (323/417) ======================= q-point: ( 0.56 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 0.000 -0.192 4.203) 4.208 1.639 ( 0.000 -2.216 6.910) 7.257 2.679 ( 0.000 -5.737 8.175) 9.987 4.321 ( -0.000 19.641 -16.382) 25.576 5.687 ( 0.000 -18.080 -4.076) 18.534 7.726 ( -0.000 40.580 2.126) 40.636 7.807 ( 0.000 -3.695 16.329) 16.742 9.236 ( -0.000 2.820 -6.612) 7.188 9.585 ( -0.000 4.645 -8.594) 9.769 10.632 ( 0.000 3.993 4.186) 5.785 18.612 ( 0.000 0.295 0.439) 0.529 19.711 ( 0.000 -17.000 5.983) 18.022 ======================= Grid point 934 (324/417) ======================= q-point: ( 0.62 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 0.085 -1.369 4.208) 4.426 1.666 ( 2.477 -1.213 6.023) 6.624 2.648 ( 0.213 -5.567 6.564) 8.609 4.615 ( 17.778 17.095 -14.328) 28.523 5.471 ( -4.407 -13.195 -3.201) 14.275 7.831 ( 0.683 0.826 14.432) 14.472 8.129 ( 2.229 27.613 4.606) 28.083 9.256 ( 1.308 3.989 -6.713) 7.917 9.598 ( 1.544 1.035 -11.420) 11.570 10.655 ( -3.367 2.156 8.308) 9.220 18.614 ( -0.700 0.984 0.080) 1.210 19.551 ( -1.667 -14.652 3.993) 15.278 ======================= Grid point 935 (325/417) ======================= q-point: ( 0.69 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 0.236 -1.476 3.893) 4.170 1.726 ( 3.021 -0.531 4.352) 5.325 2.620 ( 0.605 -4.977 4.460) 6.710 5.112 ( 15.740 6.485 -9.830) 19.658 5.321 ( 9.312 0.632 -3.373) 9.924 7.916 ( 2.806 -0.410 13.425) 13.722 8.389 ( -1.285 17.870 5.713) 18.805 9.310 ( 1.088 5.585 -7.574) 9.473 9.583 ( 3.663 -3.986 -12.567) 13.683 10.619 ( -6.452 2.225 10.708) 12.698 18.607 ( -1.403 1.203 -0.069) 1.849 19.391 ( -2.330 -11.443 1.901) 11.832 ======================= Grid point 936 (326/417) ======================= q-point: ( 0.75 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 0.575 -0.921 2.624) 2.840 1.784 ( 2.429 0.017 3.107) 3.944 2.601 ( 1.249 -4.040 2.230) 4.780 5.040 ( -6.405 -2.137 -1.637) 6.948 5.951 ( 38.605 11.624 -7.698) 41.045 7.980 ( -0.490 -1.792 12.170) 12.311 8.478 ( -4.718 6.681 6.017) 10.154 9.312 ( -1.673 1.605 -11.470) 11.702 9.599 ( 6.889 -3.849 -8.288) 11.444 10.564 ( -7.391 4.857 10.910) 14.045 18.590 ( -1.800 1.157 0.096) 2.142 19.257 ( -2.071 -7.847 -0.002) 8.116 ======================= Grid point 951 (327/417) ======================= q-point: ( 0.62 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 0.000 -1.047 3.015) 3.191 1.648 ( 0.000 -2.048 8.712) 8.950 2.610 ( 0.000 -5.841 5.942) 8.332 4.561 ( -0.000 13.938 -14.161) 19.870 5.387 ( 0.000 -8.480 -3.200) 9.063 7.828 ( 0.000 -5.077 16.191) 16.968 8.423 ( -0.000 25.040 4.044) 25.364 9.248 ( -0.000 2.670 -6.224) 6.773 9.551 ( -0.000 -0.718 -13.607) 13.626 10.744 ( 0.000 2.798 11.065) 11.413 18.635 ( -0.000 1.716 -0.090) 1.719 19.435 ( 0.000 -13.030 2.683) 13.304 ======================= Grid point 952 (328/417) ======================= q-point: ( 0.69 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -0.068 -1.668 3.781) 4.133 1.684 ( 2.560 -1.542 7.667) 8.229 2.570 ( 0.417 -5.934 4.310) 7.346 4.806 ( 18.018 10.464 -12.601) 24.350 5.291 ( -2.929 -2.520 -2.247) 4.470 7.860 ( 3.537 -5.563 15.480) 16.825 8.622 ( -2.141 14.021 5.570) 15.238 9.288 ( 3.318 3.283 -5.959) 7.570 9.470 ( -0.768 -4.845 -15.020) 15.800 10.788 ( -3.822 5.033 12.291) 13.820 18.646 ( -0.996 2.157 -0.073) 2.377 19.311 ( -0.887 -10.608 1.057) 10.698 ======================= Grid point 954 (329/417) ======================= q-point: (-0.25 -0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 0.435 -1.728 3.448) 3.881 1.745 ( 3.075 -1.029 6.114) 6.921 2.535 ( 1.269 -5.928 2.036) 6.395 5.121 ( 0.285 3.566 -4.537) 5.778 5.397 ( 26.610 5.744 -6.805) 28.060 7.928 ( 4.651 -6.351 14.256) 16.285 8.657 ( -5.587 1.301 7.977) 9.826 9.299 ( -2.639 -3.319 -15.944) 16.498 9.420 ( 7.284 -0.384 -6.665) 9.881 10.801 ( -6.904 8.410 12.479) 16.557 18.643 ( -1.962 2.347 0.315) 3.075 19.202 ( -0.918 -7.718 -0.789) 7.813 ======================= Grid point 970 (330/417) ======================= q-point: (-0.31 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 0.000 -1.805 2.318) 2.938 1.669 ( 0.000 -2.607 10.899) 11.206 2.514 ( 0.000 -6.817 2.780) 7.363 4.689 ( -0.000 7.329 -12.614) 14.588 5.313 ( -0.000 2.969 -2.191) 3.690 7.817 ( 0.000 -6.508 15.632) 16.933 8.748 ( 0.000 2.522 6.276) 6.764 9.260 ( -0.000 2.435 -5.716) 6.213 9.373 ( -0.000 -7.011 -15.019) 16.575 10.934 ( 0.000 8.748 12.804) 15.507 18.681 ( -0.000 2.916 0.156) 2.920 19.219 ( 0.000 -9.109 -0.211) 9.111 ======================= Grid point 971 (331/417) ======================= q-point: (-0.25 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 0.200 -2.389 2.892) 3.756 1.702 ( 2.565 -2.747 10.032) 10.713 2.452 ( 0.759 -7.586 0.284) 7.630 4.868 ( 17.829 3.565 -11.504) 21.516 5.337 ( -2.607 8.079 -1.507) 8.622 7.831 ( 3.308 -7.248 14.971) 16.959 8.708 ( -2.464 -11.135 8.634) 14.305 9.224 ( -1.949 -7.498 -17.180) 18.846 9.309 ( 4.620 2.480 -5.187) 7.375 11.047 ( -4.090 11.997 13.087) 18.219 18.703 ( -1.304 3.367 0.878) 3.716 19.131 ( -0.183 -7.069 -2.004) 7.350 ======================= Grid point 988 (332/417) ======================= q-point: (-0.25 -0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 0.000 -2.784 2.019) 3.439 1.677 ( 0.000 -4.752 12.913) 13.759 2.358 ( 0.000 -8.751 -2.542) 9.113 4.683 ( -0.000 0.222 -12.132) 12.134 5.469 ( -0.000 13.154 -1.681) 13.261 7.779 ( 0.000 -7.293 15.093) 16.763 8.577 ( 0.000 -24.256 9.443) 26.030 9.111 ( -0.000 -7.176 -17.227) 18.661 9.269 ( -0.000 2.015 -5.337) 5.705 11.263 ( 0.000 14.050 13.679) 19.609 18.758 ( 0.000 3.899 2.228) 4.490 19.056 ( -0.000 -5.743 -4.018) 7.009 ======================= Grid point 1109 (333/417) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.301 ( 0.000 -0.000 9.307) 9.307 0.301 ( 0.000 -0.000 9.307) 9.307 2.361 ( 0.000 -0.000 50.411) 50.411 2.695 ( -0.000 0.000 -31.046) 31.046 2.695 ( -0.000 0.000 -31.046) 31.046 7.799 ( 0.000 -0.000 16.548) 16.548 7.799 ( 0.000 -0.000 16.548) 16.548 8.329 ( -0.000 0.000 -15.545) 15.545 9.007 ( -0.000 0.000 -7.819) 7.819 9.007 ( -0.000 0.000 -7.819) 7.819 19.742 ( 0.000 -0.000 0.152) 0.152 21.744 ( 0.000 -0.000 0.976) 0.976 ======================= Grid point 1110 (334/417) ======================= q-point: ( 0.31 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 19.061 11.005 11.304) 24.743 0.859 ( 25.513 14.730 11.484) 31.619 2.515 ( -0.204 -0.117 41.398) 41.399 2.530 ( -0.228 -0.132 -31.413) 31.414 2.934 ( 24.543 14.170 -25.639) 38.217 7.754 ( -5.170 -2.985 12.300) 13.672 7.987 ( 5.855 3.380 17.156) 18.440 8.138 ( -6.236 -3.600 -0.041) 7.201 8.898 ( -3.175 -1.833 -9.646) 10.320 9.466 ( 31.061 17.933 -27.080) 44.941 19.585 ( -12.778 -7.377 1.409) 14.822 21.475 ( -19.787 -11.424 14.020) 26.807 ======================= Grid point 1111 (335/417) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 17.676 10.205 16.281) 26.109 1.332 ( 11.729 6.771 11.953) 18.063 2.486 ( 5.754 3.322 -30.343) 31.062 2.638 ( 0.267 0.154 32.854) 32.855 3.660 ( 42.146 24.333 -18.031) 51.899 7.520 ( -16.065 -9.275 2.742) 18.752 8.177 ( 5.783 3.339 14.675) 16.122 8.182 ( 5.882 3.396 16.598) 17.934 8.797 ( -2.369 -1.368 -11.003) 11.338 10.086 ( 29.659 17.123 -37.770) 50.985 19.231 ( -16.311 -9.417 4.100) 19.276 21.067 ( -19.429 -11.218 22.664) 31.890 ======================= Grid point 1112 (336/417) ======================= q-point: ( 0.44 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 9.400 5.427 15.391) 18.833 1.548 ( 5.035 2.907 8.253) 10.095 2.630 ( 14.770 8.527 -23.192) 28.787 2.747 ( 0.458 0.265 26.200) 26.206 4.694 ( 48.696 28.115 -11.779) 57.450 7.083 ( -20.921 -12.079 0.386) 24.160 8.365 ( 5.107 2.949 13.606) 14.829 8.420 ( 9.343 5.394 17.862) 20.867 8.718 ( -1.112 -0.642 -10.387) 10.466 10.571 ( 22.234 12.837 -36.650) 44.748 18.911 ( -11.592 -6.693 4.289) 14.056 20.710 ( -17.753 -10.250 21.044) 29.379 ======================= Grid point 1113 (337/417) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 3.079 1.778 4.303) 5.582 1.685 ( 2.320 1.339 6.947) 7.446 2.831 ( 0.242 0.139 18.219) 18.222 3.002 ( 20.494 11.832 -9.423) 25.471 5.798 ( 46.639 26.927 -7.004) 54.308 6.575 ( -21.066 -12.163 -1.130) 24.351 8.479 ( 1.583 0.914 -0.266) 1.847 8.704 ( 2.258 1.304 0.789) 2.724 8.707 ( 9.594 5.539 17.981) 21.119 10.882 ( 14.098 8.140 -31.068) 35.074 18.721 ( -5.830 -3.366 2.568) 7.205 20.367 ( -16.848 -9.727 16.182) 25.305 ======================= Grid point 1114 (338/417) ======================= q-point: ( 0.56 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -0.134 -0.077 1.107) 1.118 1.731 ( 2.453 1.416 0.727) 2.924 2.873 ( -0.647 -0.374 8.906) 8.937 3.473 ( 20.106 11.608 0.789) 23.230 6.014 ( -20.227 -11.678 0.626) 23.364 6.900 ( 42.786 24.703 -5.842) 49.749 8.443 ( -1.768 -1.020 -12.894) 13.054 8.817 ( 4.593 2.652 10.511) 11.773 8.976 ( 8.242 4.758 16.418) 18.977 11.028 ( 6.578 3.798 -24.554) 25.702 18.640 ( -1.999 -1.154 0.901) 2.477 20.032 ( -15.483 -8.939 10.688) 20.829 ======================= Grid point 1115 (339/417) ======================= q-point: ( 0.62 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -0.927 -0.535 -1.499) 1.842 1.780 ( 1.916 1.106 -2.532) 3.363 2.851 ( -2.665 -1.538 -0.321) 3.094 3.923 ( 16.889 9.751 7.006) 20.722 5.583 ( -15.814 -9.130 1.811) 18.350 7.811 ( 35.122 20.277 -3.305) 40.689 8.331 ( -3.492 -2.016 -16.037) 16.536 8.961 ( 4.454 2.572 10.709) 11.880 9.193 ( 5.910 3.412 13.005) 14.687 11.039 ( 0.988 0.571 -18.208) 18.244 18.620 ( -0.031 -0.018 0.041) 0.054 19.720 ( -13.393 -7.732 5.550) 16.430 ======================= Grid point 1116 (340/417) ======================= q-point: ( 0.69 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -1.348 -0.778 -2.473) 2.922 1.800 ( 0.908 0.524 -5.828) 5.921 2.741 ( -5.775 -3.334 -6.256) 9.143 4.297 ( 12.265 7.081 10.844) 17.837 5.320 ( -6.955 -4.016 3.263) 8.669 8.174 ( -5.108 -2.949 -17.122) 18.109 8.478 ( 21.526 12.428 -0.322) 24.858 9.091 ( 3.736 2.157 9.154) 10.119 9.320 ( 1.165 0.673 7.512) 7.632 10.994 ( 0.834 0.481 -12.676) 12.713 18.634 ( 1.228 0.709 0.012) 1.418 19.446 ( -10.965 -6.331 1.562) 12.757 ======================= Grid point 1117 (341/417) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -1.784 -1.030 -2.560) 3.286 1.775 ( -1.041 -0.601 -9.756) 9.829 2.553 ( -8.098 -4.675 -5.105) 10.653 4.560 ( 6.625 3.825 12.702) 14.827 5.286 ( 3.075 1.775 3.086) 4.704 7.982 ( -6.252 -3.609 -16.960) 18.432 8.788 ( 4.273 2.467 -0.567) 4.966 9.195 ( 2.778 1.604 7.248) 7.926 9.259 ( -8.141 -4.700 6.535) 11.449 11.052 ( 7.955 4.593 -10.552) 13.990 18.680 ( 2.766 1.597 0.280) 3.206 19.219 ( -8.608 -4.970 -0.121) 9.940 ======================= Grid point 1126 (342/417) ======================= q-point: ( 0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 0.000 18.642 10.717) 21.503 0.978 ( -0.000 33.705 14.659) 36.755 2.521 ( -0.000 6.377 -13.259) 14.713 2.653 ( -0.000 11.402 -31.972) 33.944 2.759 ( 0.000 12.422 25.588) 28.444 7.793 ( 0.000 -5.318 16.497) 17.333 7.947 ( 0.000 -8.606 0.827) 8.646 8.226 ( 0.000 8.396 11.159) 13.965 9.043 ( -0.000 4.524 -7.944) 9.141 9.213 ( -0.000 25.344 -27.527) 37.417 19.588 ( 0.000 -14.492 1.359) 14.555 21.515 ( 0.000 -20.352 11.425) 23.339 ======================= Grid point 1127 (343/417) ======================= q-point: ( 0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 15.691 14.070 14.011) 25.308 1.360 ( 4.497 16.889 15.809) 23.567 2.482 ( -4.715 14.880 -25.678) 30.051 2.734 ( 1.736 4.054 12.639) 13.386 3.266 ( 26.891 30.554 -6.854) 41.275 7.653 ( -10.831 -12.031 2.635) 16.401 7.949 ( 9.657 -7.847 11.200) 16.741 8.399 ( -0.355 14.835 18.207) 23.488 8.905 ( -10.206 6.982 -11.400) 16.818 9.671 ( 24.785 21.277 -33.040) 46.461 19.342 ( -9.162 -16.284 3.105) 18.941 21.249 ( -10.495 -18.997 17.548) 27.910 ======================= Grid point 1128 (344/417) ======================= q-point: ( 0.44 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 12.635 5.977 14.094) 19.850 1.572 ( 2.486 5.803 12.074) 13.625 2.560 ( 2.635 20.370 -19.287) 28.175 2.843 ( 0.545 4.646 15.711) 16.392 4.188 ( 39.821 36.365 -9.321) 54.727 7.267 ( -16.277 -16.157 -0.317) 22.936 8.127 ( 12.886 -6.477 13.770) 19.940 8.615 ( 0.148 15.336 18.846) 24.298 8.783 ( -7.201 6.907 -11.771) 15.431 10.183 ( 23.767 15.919 -34.689) 44.963 19.026 ( -10.160 -12.281 3.999) 16.433 20.919 ( -13.364 -16.286 18.421) 27.985 ======================= Grid point 1129 (345/417) ======================= q-point: ( 0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 4.387 1.274 6.306) 7.787 1.681 ( 2.257 1.159 7.761) 8.165 2.797 ( 5.650 5.746 7.814) 11.225 3.014 ( 4.362 23.996 -2.606) 24.528 5.266 ( 44.076 33.556 -6.422) 55.767 6.777 ( -19.014 -17.649 -0.924) 25.960 8.325 ( 10.922 -5.397 8.720) 14.982 8.715 ( -2.618 5.134 -7.154) 9.186 8.840 ( -0.068 15.596 17.469) 23.418 10.575 ( 18.415 9.783 -31.106) 37.448 18.791 ( -6.646 -6.987 2.956) 10.086 20.574 ( -14.424 -14.682 15.143) 25.552 ======================= Grid point 1130 (346/417) ======================= q-point: ( 0.56 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 1.749 -0.299 1.742) 2.487 1.728 ( 0.838 0.743 2.183) 2.453 2.879 ( 0.960 -2.839 9.515) 9.975 3.449 ( 9.705 31.874 -0.743) 33.327 6.179 ( -3.438 -5.782 1.976) 7.012 6.417 ( 27.984 16.989 -6.868) 33.450 8.408 ( 1.614 -1.203 -6.728) 7.023 8.772 ( 4.781 3.078 5.149) 7.671 9.048 ( 0.901 12.052 16.985) 20.846 10.817 ( 11.952 4.099 -25.576) 28.527 18.666 ( -2.939 -3.185 1.352) 4.540 20.221 ( -14.404 -13.166 10.459) 22.141 ======================= Grid point 1131 (347/417) ======================= q-point: ( 0.62 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -0.156 -0.957 -1.255) 1.586 1.759 ( 1.083 1.300 -1.086) 2.010 2.862 ( -1.375 -3.301 1.394) 3.838 3.934 ( 8.279 29.604 5.776) 31.278 5.752 ( -16.120 -14.469 1.683) 21.726 7.347 ( 39.410 21.788 -4.212) 45.229 8.349 ( -3.701 1.748 -14.271) 14.847 8.933 ( 6.268 2.736 9.700) 11.868 9.222 ( 1.377 7.331 15.230) 16.959 10.913 ( 5.946 -0.473 -19.847) 20.724 18.619 ( -0.528 -1.211 0.260) 1.347 19.879 ( -13.276 -11.226 5.749) 18.312 ======================= Grid point 1132 (348/417) ======================= q-point: ( 0.69 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -0.999 -0.704 -2.419) 2.710 1.777 ( 0.552 1.078 -4.390) 4.554 2.773 ( -4.077 -3.634 -4.884) 7.327 4.360 ( 4.624 26.185 9.859) 28.359 5.407 ( -9.422 -9.521 2.898) 13.705 8.087 ( 19.413 6.128 -8.384) 22.017 8.279 ( 4.454 10.114 -11.200) 15.734 9.093 ( 4.255 4.010 9.014) 10.744 9.335 ( 0.474 1.787 12.508) 12.644 10.906 ( 2.772 -2.690 -14.730) 15.228 18.616 ( 0.949 -0.341 -0.039) 1.010 19.572 ( -11.350 -8.917 1.901) 14.558 ======================= Grid point 1133 (349/417) ======================= q-point: ( 0.75 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -1.557 -0.649 -2.747) 3.224 1.764 ( -1.001 0.809 -7.821) 7.926 2.621 ( -6.512 -3.750 -5.696) 9.429 4.681 ( -0.159 21.842 11.870) 24.859 5.264 ( -0.428 -3.264 2.993) 4.449 8.023 ( -6.735 -0.460 -16.681) 17.995 8.670 ( 13.641 6.502 -3.264) 15.460 9.220 ( 1.936 4.796 7.286) 8.935 9.335 ( -4.020 -4.181 10.949) 12.390 10.909 ( 6.197 -0.825 -11.688) 13.255 18.645 ( 2.387 0.256 0.138) 2.405 19.317 ( -9.080 -6.488 -0.057) 11.160 ======================= Grid point 1143 (350/417) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 0.000 15.302 13.903) 20.675 1.524 ( 0.000 9.292 14.749) 17.432 2.676 ( 0.000 8.088 5.708) 9.899 2.744 ( -0.000 19.009 -31.594) 36.872 3.395 ( -0.000 41.837 7.153) 42.444 7.638 ( 0.000 -17.576 -4.332) 18.102 7.805 ( 0.000 -4.411 16.564) 17.141 8.614 ( 0.000 14.786 19.000) 24.076 9.079 ( -0.000 4.367 -8.424) 9.489 9.541 ( -0.000 27.633 -35.704) 45.148 19.249 ( 0.000 -18.653 3.428) 18.965 21.184 ( 0.000 -21.316 16.596) 27.014 ======================= Grid point 1144 (351/417) ======================= q-point: ( 0.44 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 9.635 8.666 13.806) 18.935 1.629 ( 0.648 2.551 10.386) 10.714 2.723 ( -2.335 13.315 -1.332) 13.584 2.911 ( 3.959 15.165 -10.648) 18.948 4.068 ( 19.286 49.255 -0.955) 52.905 7.322 ( -10.772 -19.605 -2.804) 22.544 7.915 ( 9.468 -4.866 14.906) 18.316 8.814 ( -0.932 12.716 14.851) 19.573 8.996 ( -8.350 9.255 -7.739) 14.672 9.879 ( 17.283 21.049 -32.274) 42.230 19.032 ( -5.032 -15.395 3.758) 16.627 20.965 ( -6.505 -20.302 16.047) 26.683 ======================= Grid point 1145 (352/417) ======================= q-point: ( 0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 6.309 2.318 8.753) 11.036 1.683 ( 1.059 0.052 6.702) 6.786 2.826 ( 1.030 2.099 12.449) 12.667 3.186 ( 6.890 31.359 -14.229) 35.118 4.977 ( 29.375 44.245 -2.541) 53.170 6.874 ( -15.055 -21.324 -2.241) 26.199 8.107 ( 11.738 -4.423 13.181) 18.196 8.833 ( -6.139 7.359 -8.180) 12.600 9.075 ( -1.452 15.185 14.128) 20.791 10.265 ( 17.394 13.249 -28.426) 35.862 18.821 ( -5.127 -9.736 3.007) 11.407 20.668 ( -10.023 -18.797 13.507) 25.223 ======================= Grid point 1146 (353/417) ======================= q-point: ( 0.56 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 1.868 -0.303 3.071) 3.607 1.722 ( 1.439 0.130 3.477) 3.766 2.869 ( 0.419 -3.078 10.069) 10.537 3.662 ( 8.932 38.574 -6.012) 40.049 5.933 ( 32.848 33.215 -1.262) 46.731 6.379 ( -14.546 -18.997 -2.686) 24.076 8.294 ( 8.698 -2.846 6.725) 11.357 8.803 ( -2.171 7.600 -6.067) 9.964 9.246 ( -1.537 13.080 15.446) 20.298 10.550 ( 13.692 5.975 -23.793) 28.094 18.683 ( -3.070 -4.969 1.634) 6.065 20.332 ( -11.678 -16.964 9.656) 22.746 ======================= Grid point 1147 (354/417) ======================= q-point: ( 0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 0.421 -1.110 -0.010) 1.187 1.754 ( 0.851 0.917 0.420) 1.320 2.851 ( -0.866 -4.014 3.363) 5.308 4.193 ( 6.453 39.504 1.606) 40.060 5.863 ( -15.007 -18.456 0.998) 23.809 6.892 ( 36.155 25.463 -3.912) 44.395 8.368 ( 0.543 1.084 -5.475) 5.607 8.890 ( 4.574 5.645 3.277) 7.970 9.380 ( -2.470 9.862 14.871) 18.014 10.706 ( 9.032 -0.174 -19.145) 21.169 18.616 ( -1.052 -2.210 0.496) 2.497 19.989 ( -11.799 -14.524 5.550) 19.518 ======================= Grid point 1148 (355/417) ======================= q-point: ( 0.69 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -0.322 -0.978 -1.786) 2.061 1.772 ( 0.267 1.285 -2.237) 2.594 2.781 ( -2.692 -3.821 -2.536) 5.318 4.675 ( 1.703 37.516 6.651) 38.139 5.474 ( -10.479 -13.264 2.078) 17.032 7.692 ( 31.354 14.642 -5.095) 34.978 8.332 ( -3.162 4.961 -11.628) 13.032 9.063 ( 6.409 4.211 7.610) 10.804 9.454 ( -3.854 5.810 14.018) 15.656 10.747 ( 5.310 -4.229 -15.148) 16.599 18.596 ( 0.389 -1.056 0.009) 1.125 19.670 ( -10.703 -11.513 2.026) 15.849 ======================= Grid point 1149 (356/417) ======================= q-point: ( 0.75 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -0.959 -0.721 -2.812) 3.057 1.772 ( -0.741 1.610 -4.680) 5.005 2.667 ( -4.700 -3.044 -4.812) 7.383 5.019 ( -3.209 23.835 8.469) 25.498 5.286 ( -3.973 3.332 3.621) 6.325 8.055 ( 0.774 1.604 -13.702) 13.817 8.452 ( 14.909 8.191 -6.629) 18.257 9.227 ( 4.563 2.686 8.623) 10.119 9.452 ( -5.986 2.201 13.008) 14.487 10.738 ( 5.452 -4.687 -12.491) 14.413 18.606 ( 1.694 -0.635 0.051) 1.810 19.401 ( -8.832 -8.191 -0.028) 12.046 ======================= Grid point 1160 (357/417) ======================= q-point: ( 0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 0.000 7.533 13.131) 15.138 1.667 ( 0.000 0.170 7.705) 7.707 2.828 ( 0.000 -0.289 14.799) 14.802 3.005 ( -0.000 26.056 -27.878) 38.159 4.470 ( -0.000 57.607 1.984) 57.641 7.194 ( 0.000 -22.807 -5.290) 23.412 7.836 ( 0.000 -3.608 16.711) 17.096 9.010 ( 0.000 12.933 12.533) 18.010 9.107 ( -0.000 4.059 -8.807) 9.697 9.862 ( -0.000 24.891 -26.814) 36.586 18.932 ( 0.000 -14.168 3.527) 14.601 20.856 ( 0.000 -21.608 14.141) 25.823 ======================= Grid point 1161 (358/417) ======================= q-point: ( 0.50 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 4.980 3.147 10.043) 11.643 1.688 ( 0.336 -0.786 5.614) 5.679 2.860 ( -0.000 -2.469 13.643) 13.865 3.279 ( 9.393 29.585 -22.210) 38.168 5.149 ( 9.778 55.044 1.564) 55.927 6.850 ( -9.091 -23.911 -4.600) 25.992 7.934 ( 8.098 -3.579 15.739) 18.059 9.006 ( -7.615 7.024 -8.112) 13.157 9.237 ( 3.287 10.734 7.709) 13.618 10.104 ( 8.595 18.716 -20.220) 28.862 18.795 ( -2.311 -9.981 2.835) 10.630 20.636 ( -4.816 -21.190 11.692) 24.676 ======================= Grid point 1162 (359/417) ======================= q-point: ( 0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 2.653 0.069 4.810) 5.493 1.707 ( 1.229 -0.568 4.139) 4.355 2.865 ( -0.174 -4.254 10.091) 10.953 3.779 ( 16.562 33.665 -13.323) 39.814 5.896 ( 15.649 44.945 1.726) 47.622 6.399 ( -12.463 -22.150 -3.950) 25.721 8.120 ( 10.555 -3.156 13.178) 17.176 8.933 ( -5.561 8.395 -9.688) 13.973 9.418 ( 1.688 10.203 8.965) 13.687 10.352 ( 8.958 10.368 -16.067) 21.116 18.682 ( -2.247 -5.564 1.729) 6.245 20.349 ( -7.862 -19.632 8.502) 22.793 ======================= Grid point 1163 (360/417) ======================= q-point: ( 0.62 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 0.428 -1.209 1.464) 1.946 1.745 ( 1.455 0.374 1.937) 2.452 2.836 ( -0.806 -4.709 4.950) 6.880 4.403 ( 15.950 36.750 -5.015) 40.375 5.913 ( -13.142 -20.691 -0.342) 24.514 6.657 ( 21.443 33.971 -1.293) 40.193 8.295 ( 7.306 -1.624 6.736) 10.069 8.933 ( -1.102 8.928 -5.924) 10.771 9.556 ( -0.507 8.665 9.556) 12.910 10.508 ( 6.915 2.507 -13.120) 15.042 18.615 ( -1.287 -2.597 0.690) 2.979 20.032 ( -9.230 -17.076 5.061) 20.060 ======================= Grid point 1164 (361/417) ======================= q-point: ( 0.69 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -0.090 -1.159 -0.407) 1.232 1.773 ( 0.656 0.958 -0.315) 1.203 2.776 ( -1.804 -4.115 0.104) 4.494 5.001 ( 8.591 36.310 1.257) 37.333 5.521 ( -9.624 -13.438 0.928) 16.555 7.340 ( 24.572 20.585 -2.742) 32.172 8.369 ( 0.661 1.553 -2.826) 3.291 9.037 ( 4.100 7.024 1.495) 8.269 9.635 ( -3.242 6.593 10.324) 12.672 10.562 ( 4.784 -3.548 -11.271) 12.748 18.584 ( -0.300 -1.259 0.107) 1.299 19.724 ( -9.120 -13.691 1.991) 16.571 ======================= Grid point 1165 (362/417) ======================= q-point: ( 0.75 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -0.515 -0.695 -1.823) 2.018 1.786 ( -0.150 1.523 -2.018) 2.532 2.693 ( -3.060 -2.734 -2.727) 4.927 5.151 ( -4.980 -7.607 1.985) 9.306 5.604 ( 0.210 37.024 5.668) 37.456 7.862 ( 18.310 6.246 -6.912) 20.543 8.372 ( 0.481 4.430 -7.204) 8.471 9.196 ( 5.170 3.854 6.557) 9.197 9.644 ( -6.080 4.426 10.833) 13.187 10.551 ( 4.520 -6.025 -10.567) 12.976 18.576 ( 0.708 -0.921 0.014) 1.162 19.457 ( -7.883 -9.796 -0.014) 12.574 ======================= Grid point 1178 (363/417) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 0.000 2.290 9.308) 9.585 1.692 ( 0.000 -1.199 4.748) 4.897 2.868 ( 0.000 -4.359 12.281) 13.031 3.394 ( -0.000 27.955 -22.409) 35.828 5.660 ( -0.000 56.550 2.818) 56.621 6.664 ( 0.000 -24.813 -6.213) 25.579 7.881 ( 0.000 -3.110 17.066) 17.347 9.127 ( -0.000 3.829 -8.916) 9.704 9.286 ( -0.000 10.278 -0.359) 10.285 10.191 ( -0.000 19.004 -8.643) 20.878 18.730 ( 0.000 -7.772 2.356) 8.121 20.494 ( 0.000 -21.776 9.579) 23.790 ======================= Grid point 1179 (364/417) ======================= q-point: ( 0.56 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 2.421 0.393 6.273) 6.735 1.697 ( 0.500 -1.150 4.157) 4.342 2.854 ( -0.288 -5.332 9.744) 11.112 3.738 ( 14.611 27.984 -17.853) 36.267 6.215 ( 0.179 24.061 4.888) 24.553 6.365 ( -4.316 3.613 -7.264) 9.190 7.975 ( 7.208 -3.030 16.259) 18.041 9.077 ( -5.201 6.190 -9.652) 12.591 9.438 ( 5.716 7.364 -3.068) 9.814 10.361 ( 1.415 13.621 -2.441) 13.910 18.663 ( -1.022 -4.655 1.585) 5.022 20.270 ( -3.731 -20.795 7.054) 22.274 ======================= Grid point 1180 (365/417) ======================= q-point: ( 0.62 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 0.565 -1.131 2.867) 3.134 1.725 ( 1.821 -0.205 3.355) 3.823 2.817 ( -0.726 -5.432 6.218) 8.288 4.329 ( 24.529 28.356 -11.442) 39.200 5.898 ( -10.122 -21.725 -2.221) 24.071 6.836 ( 4.719 42.923 1.752) 43.217 8.152 ( 9.525 -2.452 13.353) 16.584 9.041 ( -3.314 8.457 -9.308) 13.006 9.590 ( 5.462 4.753 -2.979) 7.829 10.475 ( -0.150 6.782 0.391) 6.795 18.614 ( -1.122 -2.172 0.763) 2.560 20.001 ( -6.043 -18.479 4.336) 19.920 ======================= Grid point 1181 (366/417) ======================= q-point: ( 0.69 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -0.156 -1.217 1.298) 1.786 1.764 ( 1.392 0.466 1.417) 2.040 2.763 ( -1.214 -4.629 2.669) 5.479 5.036 ( 23.580 27.226 -5.501) 36.436 5.531 ( -7.411 -14.421 -0.907) 16.240 7.317 ( 6.888 30.134 1.860) 30.967 8.315 ( 6.203 -0.931 7.382) 9.687 9.076 ( 0.233 8.834 -5.835) 10.590 9.701 ( 3.756 2.648 -2.023) 5.021 10.495 ( -1.929 0.527 1.251) 2.359 18.583 ( -0.851 -0.910 0.190) 1.260 19.725 ( -6.869 -15.101 1.825) 16.690 ======================= Grid point 1182 (367/417) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -0.375 -0.650 -0.000) 0.750 1.792 ( 0.631 1.093 0.000) 1.262 2.701 ( -1.754 -3.038 0.000) 3.508 5.155 ( -6.282 -10.880 -0.000) 12.563 5.835 ( 18.852 32.652 -0.000) 37.703 7.685 ( 8.239 14.270 -0.000) 16.478 8.387 ( 0.711 1.232 -0.000) 1.423 9.179 ( 3.441 5.960 -0.000) 6.882 9.757 ( 0.670 1.160 0.000) 1.339 10.445 ( -1.752 -3.035 -0.000) 3.505 18.565 ( -0.352 -0.609 -0.000) 0.703 19.477 ( -6.374 -11.040 -0.000) 12.748 ======================= Grid point 1196 (368/417) ======================= q-point: ( 0.56 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 0.000 0.054 6.051) 6.051 1.694 ( 0.000 -1.331 4.208) 4.414 2.831 ( 0.000 -6.001 8.971) 10.793 3.805 ( -0.000 25.316 -18.203) 31.181 6.102 ( 0.000 -23.412 -3.708) 23.704 6.796 ( -0.000 50.587 1.021) 50.597 7.935 ( 0.000 -3.204 17.548) 17.838 9.144 ( -0.000 3.700 -8.801) 9.547 9.430 ( -0.000 7.555 -9.873) 12.432 10.496 ( 0.000 11.454 5.759) 12.820 18.638 ( 0.000 -2.858 1.191) 3.096 20.113 ( 0.000 -20.391 5.309) 21.071 ======================= Grid point 1197 (369/417) ======================= q-point: ( 0.62 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 0.755 -0.847 4.052) 4.208 1.705 ( 1.147 -0.808 4.429) 4.646 2.792 ( -0.497 -6.015 7.198) 9.394 4.152 ( 17.554 23.404 -14.944) 32.852 5.810 ( -5.443 -20.875 -3.610) 21.873 7.279 ( -1.612 44.414 2.715) 44.526 8.026 ( 6.965 -2.736 16.436) 18.059 9.133 ( -1.924 5.563 -9.094) 10.833 9.505 ( 4.654 4.245 -11.221) 12.868 10.599 ( -2.280 7.029 9.258) 11.845 18.615 ( -0.651 -1.156 0.662) 1.482 19.903 ( -2.789 -18.545 3.387) 19.057 ======================= Grid point 1198 (370/417) ======================= q-point: ( 0.69 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -0.131 -1.211 2.768) 3.024 1.744 ( 1.898 -0.020 3.337) 3.839 2.743 ( -0.793 -5.315 4.907) 7.277 4.762 ( 29.185 21.180 -10.442) 37.542 5.497 ( -6.798 -15.473 -2.362) 17.065 7.640 ( -3.060 32.309 5.147) 32.859 8.208 ( 8.523 0.308 12.571) 15.191 9.147 ( -0.760 7.685 -8.575) 11.540 9.584 ( 6.136 -0.091 -11.451) 12.992 10.614 ( -5.399 2.870 10.676) 12.303 18.595 ( -1.032 -0.151 0.201) 1.063 19.673 ( -4.322 -15.524 1.526) 16.186 ======================= Grid point 1214 (371/417) ======================= q-point: ( 0.62 0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 0.000 -0.890 4.076) 4.172 1.702 ( 0.000 -0.931 5.441) 5.520 2.759 ( 0.000 -6.313 7.399) 9.726 4.160 ( -0.000 20.506 -15.347) 25.613 5.646 ( 0.000 -17.855 -3.949) 18.286 7.751 ( -0.000 41.128 2.750) 41.220 7.980 ( 0.000 -4.140 17.780) 18.255 9.160 ( -0.000 3.619 -8.479) 9.219 9.469 ( -0.000 4.168 -13.503) 14.131 10.719 ( 0.000 4.601 12.287) 13.120 18.617 ( 0.000 -0.048 0.411) 0.414 19.753 ( 0.000 -17.287 2.271) 17.435 ======================= Grid point 1216 (372/417) ======================= q-point: (-0.31 -0.38 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 0.128 -1.247 3.315) 3.544 1.726 ( 1.373 -0.411 5.724) 5.901 2.715 ( -0.399 -6.137 6.445) 8.909 4.476 ( 18.925 17.539 -13.027) 28.905 5.438 ( -3.909 -12.846 -3.282) 13.823 7.975 ( -2.023 6.861 13.453) 15.237 8.187 ( 4.523 21.841 7.116) 23.412 9.181 ( 1.083 4.897 -8.213) 9.623 9.468 ( 1.767 0.387 -13.620) 13.740 10.765 ( -3.565 2.446 12.966) 13.668 18.615 ( -0.734 0.747 0.120) 1.054 19.576 ( -1.899 -14.900 1.105) 15.062 ======================= Grid point 1233 (373/417) ======================= q-point: (-0.31 -0.31 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 0.000 -1.460 3.011) 3.346 1.732 ( 0.000 -0.553 7.706) 7.726 2.674 ( 0.000 -6.933 6.740) 9.669 4.421 ( -0.000 14.541 -13.457) 19.813 5.354 ( 0.000 -8.019 -3.453) 8.731 7.999 ( 0.000 -5.724 17.492) 18.405 8.460 ( -0.000 25.709 3.036) 25.888 9.177 ( -0.000 3.506 -7.904) 8.647 9.419 ( -0.000 -0.822 -12.020) 12.048 10.865 ( 0.000 2.628 12.708) 12.976 18.634 ( -0.000 1.555 -0.024) 1.555 19.451 ( 0.000 -13.341 0.602) 13.355 ======================= Grid point 1389 (374/417) ======================= q-point: ( 0.31 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.401 ( 0.000 -0.000 10.562) 10.562 0.401 ( 0.000 -0.000 10.562) 10.562 2.377 ( -0.000 0.000 -31.604) 31.604 2.377 ( -0.000 0.000 -31.604) 31.604 2.829 ( 0.000 -0.000 42.279) 42.279 7.968 ( 0.000 -0.000 16.833) 16.833 7.968 ( 0.000 -0.000 16.833) 16.833 8.169 ( -0.000 0.000 -15.862) 15.862 8.920 ( -0.000 0.000 -9.392) 9.392 8.920 ( -0.000 0.000 -9.392) 9.392 19.744 ( 0.000 -0.000 0.302) 0.302 21.753 ( 0.000 -0.000 0.769) 0.769 ======================= Grid point 1390 (375/417) ======================= q-point: ( 0.38 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 21.044 12.150 13.587) 27.840 0.991 ( 26.879 15.519 14.867) 34.415 2.217 ( -0.146 -0.084 -30.333) 30.334 2.550 ( 18.426 10.638 -28.679) 35.709 3.005 ( 5.897 3.405 33.923) 34.599 7.843 ( -10.016 -5.783 3.855) 12.191 8.151 ( 3.011 1.738 4.790) 5.919 8.154 ( 5.703 3.293 15.895) 17.205 8.797 ( -3.558 -2.054 -10.241) 11.034 9.230 ( 23.114 13.345 -20.545) 33.682 19.598 ( -11.844 -6.838 1.210) 13.730 21.579 ( -13.599 -7.851 7.493) 17.399 ======================= Grid point 1391 (376/417) ======================= q-point: ( 0.44 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 18.822 10.867 20.172) 29.652 1.459 ( 9.727 5.616 13.227) 17.352 2.183 ( 6.930 4.001 -29.561) 30.625 2.851 ( 6.439 3.717 6.953) 10.179 3.553 ( 38.067 21.978 -0.930) 43.966 7.529 ( -16.615 -9.593 -0.690) 19.198 8.330 ( 8.110 4.682 15.799) 18.366 8.331 ( 5.023 2.900 12.029) 13.354 8.694 ( -2.202 -1.271 -8.657) 9.022 9.748 ( 26.760 15.450 -29.807) 42.933 19.266 ( -15.508 -8.954 2.876) 18.137 21.247 ( -17.086 -9.865 13.532) 23.924 ======================= Grid point 1392 (377/417) ======================= q-point: ( 0.50 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 3.221 1.860 7.472) 8.346 1.668 ( 5.057 2.919 12.604) 13.891 2.429 ( 20.936 12.088 -15.438) 28.684 2.949 ( 0.068 0.040 13.775) 13.775 4.603 ( 49.480 28.567 -6.265) 57.477 7.081 ( -21.032 -12.143 -0.512) 24.291 8.431 ( 1.242 0.717 -3.383) 3.674 8.601 ( 9.723 5.614 18.169) 21.358 8.672 ( 1.957 1.130 4.114) 4.694 10.233 ( 22.692 13.101 -30.416) 40.145 18.948 ( -11.817 -6.823 2.944) 13.959 20.881 ( -17.958 -10.368 13.124) 24.540 ======================= Grid point 1393 (378/417) ======================= q-point: ( 0.56 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 1.623 0.937 3.326) 3.818 1.728 ( -0.097 -0.056 1.152) 1.157 2.959 ( 24.236 13.993 1.123) 28.008 2.965 ( -1.786 -1.031 8.499) 8.745 5.745 ( 48.304 27.888 -3.632) 55.895 6.566 ( -22.048 -12.729 -0.501) 25.464 8.387 ( -1.434 -0.828 -14.232) 14.328 8.788 ( 4.413 2.548 12.093) 13.123 8.887 ( 9.217 5.321 17.910) 20.833 10.591 ( 15.843 9.147 -26.500) 32.201 18.743 ( -6.419 -3.706 1.651) 7.594 20.497 ( -17.945 -10.360 9.604) 22.838 ======================= Grid point 1394 (379/417) ======================= q-point: ( 0.62 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -0.865 -0.500 -2.342) 2.546 1.734 ( 1.103 0.637 -0.185) 1.287 2.923 ( -3.205 -1.851 1.141) 3.873 3.520 ( 21.804 12.589 8.465) 26.562 6.032 ( -20.605 -11.896 2.687) 23.943 6.849 ( 43.848 25.316 -4.265) 50.811 8.289 ( -2.428 -1.402 -16.844) 17.076 8.933 ( 4.379 2.528 11.785) 12.824 9.140 ( 7.294 4.211 16.294) 18.341 10.797 ( 8.645 4.991 -21.267) 23.493 18.647 ( -2.415 -1.394 0.395) 2.816 20.113 ( -16.782 -9.689 5.362) 20.106 ======================= Grid point 1395 (380/417) ======================= q-point: ( 0.69 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -1.075 -0.620 -3.170) 3.405 1.748 ( 0.586 0.338 -3.794) 3.854 2.823 ( -4.746 -2.740 -4.973) 7.400 4.020 ( 17.740 10.242 12.056) 23.769 5.609 ( -15.491 -8.944 3.273) 18.184 7.780 ( 35.736 20.632 -2.992) 41.373 8.160 ( -3.659 -2.113 -17.744) 18.240 9.066 ( 3.826 2.209 10.030) 10.960 9.329 ( 4.263 2.461 13.941) 14.785 10.865 ( 3.020 1.743 -16.261) 16.631 18.620 ( -0.130 -0.075 -0.134) 0.201 19.756 ( -14.526 -8.387 1.632) 16.853 ======================= Grid point 1406 (381/417) ======================= q-point: ( 0.38 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 0.000 19.864 13.182) 23.840 1.143 ( 0.000 37.164 18.200) 41.381 2.245 ( -0.000 14.756 -30.639) 34.007 2.328 ( -0.000 11.107 -32.001) 33.873 3.113 ( 0.000 3.455 33.700) 33.876 7.909 ( -0.000 -10.879 -6.923) 12.895 7.961 ( 0.000 -5.406 16.772) 17.622 8.363 ( 0.000 15.993 15.108) 22.001 8.954 ( -0.000 4.895 -9.769) 10.926 8.970 ( -0.000 15.597 -21.316) 26.413 19.601 ( 0.000 -13.519 1.146) 13.568 21.600 ( 0.000 -14.357 6.111) 15.603 ======================= Grid point 1407 (382/417) ======================= q-point: ( 0.44 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 17.166 14.060 17.176) 28.059 1.528 ( 2.809 14.759 17.394) 22.984 2.194 ( -5.214 19.061 -29.006) 35.097 2.683 ( 19.182 17.969 -18.487) 32.134 3.363 ( 12.006 17.110 19.689) 28.715 7.648 ( -10.675 -13.182 -2.830) 17.197 8.077 ( 10.315 -6.376 13.820) 18.387 8.578 ( -0.759 17.048 17.420) 24.386 8.783 ( -9.610 6.491 -12.535) 17.077 9.381 ( 22.620 16.903 -25.156) 37.818 19.369 ( -8.697 -15.375 2.192) 17.800 21.384 ( -8.808 -15.858 9.871) 20.652 ======================= Grid point 1408 (383/417) ======================= q-point: ( 0.50 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 9.748 2.761 13.193) 16.635 1.686 ( 1.604 2.807 9.815) 10.334 2.358 ( 6.525 29.795 -17.583) 35.207 2.959 ( 4.366 2.339 5.641) 7.507 4.136 ( 37.017 36.108 -1.363) 51.729 7.256 ( -15.725 -16.470 -1.501) 22.821 8.252 ( 10.911 -5.964 10.221) 16.096 8.673 ( -5.181 5.894 -9.169) 12.069 8.799 ( -0.155 16.045 17.703) 23.893 9.871 ( 23.107 15.578 -27.429) 39.102 19.060 ( -10.139 -12.101 2.596) 15.999 21.064 ( -13.032 -15.638 10.601) 22.951 ======================= Grid point 1409 (384/417) ======================= q-point: ( 0.56 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 2.129 0.127 4.324) 4.821 1.731 ( 0.308 -0.099 1.863) 1.891 2.832 ( 12.463 23.175 3.363) 26.527 3.033 ( 1.629 7.440 2.580) 8.042 5.220 ( 44.059 34.473 -3.084) 56.028 6.769 ( -18.757 -18.126 -0.346) 26.086 8.346 ( 2.134 -1.461 -5.373) 5.963 8.696 ( 4.901 1.560 4.703) 6.970 9.015 ( 0.226 14.770 16.850) 22.408 10.292 ( 19.019 10.962 -24.891) 33.188 18.815 ( -7.070 -7.227 1.703) 10.252 20.691 ( -15.062 -14.991 8.161) 22.765 ======================= Grid point 1410 (385/417) ======================= q-point: ( 0.62 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 0.070 -0.843 -1.032) 1.334 1.736 ( -0.028 0.899 -0.277) 0.941 2.939 ( -1.592 -3.558 2.330) 4.541 3.477 ( 13.072 31.117 6.461) 34.364 6.218 ( -4.922 -7.621 5.470) 10.594 6.347 ( 30.042 18.821 -6.994) 36.134 8.295 ( -3.389 2.025 -14.235) 14.772 8.860 ( 8.359 -0.022 10.759) 13.625 9.213 ( 0.796 11.394 15.749) 19.454 10.583 ( 13.093 5.570 -20.516) 24.967 18.675 ( -3.362 -3.407 0.493) 4.812 20.296 ( -15.407 -13.704 4.556) 21.117 ======================= Grid point 1411 (386/417) ======================= q-point: ( 0.69 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -0.820 -0.570 -2.955) 3.119 1.741 ( -0.171 0.905 -2.620) 2.777 2.849 ( -3.766 -3.766 -3.793) 6.538 4.020 ( 10.301 28.488 11.129) 32.273 5.776 ( -15.711 -14.749 3.011) 21.759 7.309 ( 39.601 21.518 -3.376) 45.196 8.192 ( -5.239 3.310 -16.387) 17.520 9.035 ( 6.468 1.539 10.148) 12.133 9.372 ( 0.828 6.808 14.489) 16.030 10.730 ( 7.243 0.801 -16.172) 17.738 18.619 ( -0.707 -1.261 -0.175) 1.456 19.914 ( -14.256 -11.688 1.151) 18.471 ======================= Grid point 1424 (387/417) ======================= q-point: ( 0.44 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 0.000 14.996 17.377) 22.952 1.661 ( 0.000 4.533 11.603) 12.457 2.422 ( -0.000 20.144 -32.104) 37.901 2.645 ( -0.000 28.497 -7.377) 29.437 3.535 ( 0.000 27.456 16.438) 32.001 7.584 ( 0.000 -17.070 -5.821) 18.035 7.974 ( 0.000 -4.453 16.793) 17.373 8.792 ( 0.000 13.323 15.528) 20.460 8.985 ( -0.000 4.753 -10.313) 11.356 9.231 ( -0.000 26.509 -25.246) 36.607 19.278 ( 0.000 -17.832 2.335) 17.985 21.312 ( 0.000 -18.792 9.279) 20.958 ======================= Grid point 1425 (388/417) ======================= q-point: ( 0.50 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 8.396 6.197 15.419) 18.618 1.711 ( 0.315 0.309 5.625) 5.642 2.559 ( 2.014 30.444 -21.995) 37.612 2.911 ( 5.466 6.412 3.052) 8.962 4.092 ( 15.919 46.321 4.446) 49.182 7.287 ( -9.446 -19.966 -3.831) 22.418 8.067 ( 8.137 -4.428 15.068) 17.688 8.831 ( -8.731 6.978 -9.966) 14.975 9.023 ( 0.392 13.731 10.744) 17.439 9.610 ( 16.225 21.899 -20.408) 34.048 19.063 ( -5.056 -15.126 2.384) 16.126 21.088 ( -6.396 -19.404 8.751) 22.227 ======================= Grid point 1426 (389/417) ======================= q-point: ( 0.56 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 3.430 0.514 6.740) 7.580 1.729 ( 0.435 -0.395 2.294) 2.367 2.918 ( 3.438 13.207 6.616) 15.166 3.066 ( 10.021 21.260 -9.488) 25.347 4.966 ( 27.784 45.068 0.000) 52.944 6.852 ( -14.152 -21.891 -1.883) 26.135 8.227 ( 8.503 -3.339 9.886) 13.460 8.741 ( -4.799 6.986 -8.537) 12.030 9.214 ( 0.716 13.252 11.919) 17.838 10.028 ( 16.149 15.475 -17.973) 28.693 18.845 ( -5.428 -9.875 1.666) 11.391 20.769 ( -10.429 -18.830 6.627) 22.522 ======================= Grid point 1427 (390/417) ======================= q-point: ( 0.62 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 0.259 -0.756 0.739) 1.089 1.741 ( 0.370 0.457 0.568) 0.818 2.938 ( -1.510 -3.739 3.496) 5.337 3.630 ( 13.722 37.495 0.162) 39.927 5.927 ( 33.726 35.699 -0.533) 49.114 6.359 ( -15.495 -21.299 -0.851) 26.353 8.315 ( 0.959 0.870 -2.973) 3.243 8.780 ( 4.054 4.427 2.096) 6.358 9.386 ( -0.178 11.545 11.525) 16.314 10.351 ( 12.931 8.272 -15.033) 21.486 18.695 ( -3.452 -5.143 0.597) 6.223 20.399 ( -12.429 -17.260 3.564) 21.566 ======================= Grid point 1428 (391/417) ======================= q-point: ( 0.69 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -0.579 -0.812 -1.527) 1.824 1.749 ( -0.234 1.055 -1.459) 1.815 2.858 ( -3.062 -4.160 -1.876) 5.495 4.236 ( 9.693 37.774 6.884) 39.601 5.878 ( -14.477 -19.089 1.877) 24.031 6.858 ( 35.690 25.695 -2.799) 44.067 8.279 ( -4.523 4.585 -11.366) 13.064 8.951 ( 8.092 2.802 8.139) 11.815 9.514 ( -1.483 8.854 11.253) 14.395 10.544 ( 8.670 1.580 -12.349) 15.172 18.618 ( -1.282 -2.242 -0.124) 2.585 20.020 ( -12.612 -14.757 0.580) 19.421 ======================= Grid point 1442 (392/417) ======================= q-point: ( 0.50 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 0.000 4.871 14.457) 15.256 1.722 ( 0.000 -0.504 3.164) 3.204 2.730 ( -0.000 28.858 -26.420) 39.125 2.946 ( 0.000 2.402 9.012) 9.326 4.504 ( -0.000 55.879 3.962) 56.019 7.139 ( 0.000 -22.927 -5.197) 23.508 8.006 ( 0.000 -3.564 16.983) 17.353 9.009 ( -0.000 4.562 -10.661) 11.596 9.066 ( -0.000 10.591 -2.959) 10.997 9.695 ( -0.000 27.085 -4.526) 27.461 18.961 ( 0.000 -14.101 2.138) 14.262 20.963 ( 0.000 -21.152 7.196) 22.343 ======================= Grid point 1443 (393/417) ======================= q-point: ( 0.56 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 3.120 0.984 9.059) 9.632 1.725 ( 0.170 -0.600 1.856) 1.958 2.970 ( -0.433 -2.334 8.031) 8.375 3.070 ( 13.026 31.394 -18.553) 38.723 5.172 ( 9.059 55.118 2.531) 55.915 6.805 ( -8.059 -24.421 -3.957) 26.019 8.093 ( 6.723 -3.273 15.660) 17.353 8.903 ( -8.132 7.281 -11.518) 15.869 9.265 ( 7.648 8.476 -3.675) 11.993 9.997 ( 5.058 21.572 -0.367) 22.160 18.817 ( -2.486 -10.117 1.527) 10.529 20.721 ( -5.065 -21.175 5.093) 22.360 ======================= Grid point 1444 (394/417) ======================= q-point: ( 0.62 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 0.636 -0.692 2.587) 2.753 1.736 ( 0.848 -0.010 1.612) 1.821 2.936 ( -1.501 -4.404 3.860) 6.045 3.670 ( 21.256 33.053 -7.741) 40.053 5.916 ( 15.167 46.928 1.713) 49.347 6.366 ( -11.919 -23.960 -2.253) 26.856 8.242 ( 7.110 -2.082 10.565) 12.903 8.838 ( -3.681 8.133 -8.527) 12.345 9.458 ( 6.002 7.394 -1.815) 9.695 10.269 ( 4.971 13.686 0.233) 14.563 18.694 ( -2.537 -5.712 0.670) 6.286 20.404 ( -8.386 -19.743 2.499) 21.595 ======================= Grid point 1445 (395/417) ======================= q-point: ( 0.69 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -0.539 -0.933 -0.000) 1.078 1.755 ( 0.406 0.704 0.000) 0.813 2.861 ( -2.564 -4.440 0.000) 5.127 4.377 ( 20.120 34.848 -0.000) 40.240 5.911 ( -12.372 -21.428 -0.000) 24.743 6.651 ( 20.249 35.072 -0.000) 40.497 8.331 ( 0.836 1.447 0.000) 1.671 8.900 ( 3.815 6.608 -0.000) 7.630 9.608 ( 3.520 6.097 0.000) 7.040 10.439 ( 3.173 5.496 -0.000) 6.346 18.618 ( -1.519 -2.632 -0.000) 3.039 20.058 ( -9.866 -17.089 -0.000) 19.733 ======================= Grid point 1460 (396/417) ======================= q-point: ( 0.56 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 0.000 0.379 8.439) 8.448 1.723 ( 0.000 -0.605 1.437) 1.559 2.967 ( 0.000 -4.250 7.042) 8.225 3.183 ( -0.000 29.572 -19.007) 35.153 5.690 ( -0.000 56.996 2.962) 57.073 6.606 ( 0.000 -25.613 -4.854) 26.069 8.055 ( 0.000 -2.985 17.419) 17.673 9.028 ( -0.000 4.447 -10.739) 11.623 9.217 ( -0.000 9.681 -12.394) 15.727 10.201 ( 0.000 20.062 9.495) 22.196 18.749 ( 0.000 -7.941 1.171) 8.026 20.559 ( 0.000 -21.801 3.322) 22.053 ======================= Grid point 1461 (397/417) ======================= q-point: ( 0.62 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 0.863 -0.634 4.622) 4.745 1.727 ( 0.576 -0.279 1.741) 1.855 2.927 ( -1.221 -5.000 4.507) 6.842 3.578 ( 17.372 28.248 -13.396) 35.765 6.266 ( -4.577 -13.280 2.305) 14.234 6.297 ( 1.144 40.898 -3.189) 41.038 8.140 ( 5.819 -2.781 16.209) 17.445 8.971 ( -5.354 6.918 -11.072) 14.110 9.357 ( 8.189 6.375 -12.156) 15.984 10.415 ( -0.567 14.742 12.089) 19.074 18.675 ( -1.170 -4.798 0.628) 4.978 20.313 ( -3.997 -20.767 1.321) 21.189 ======================= Grid point 1479 (398/417) ======================= q-point: (-0.38 -0.38 -0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 0.000 -0.828 4.876) 4.946 1.725 ( 0.000 -0.151 1.904) 1.910 2.902 ( 0.000 -5.511 4.908) 7.380 3.638 ( -0.000 25.808 -14.574) 29.639 6.065 ( 0.000 -24.072 -3.666) 24.350 6.814 ( -0.000 51.279 2.586) 51.344 8.113 ( 0.000 -3.123 17.829) 18.101 9.046 ( -0.000 4.410 -10.563) 11.447 9.300 ( -0.000 7.662 -15.048) 16.886 10.608 ( 0.000 11.386 15.703) 19.397 18.646 ( 0.000 -2.985 0.436) 3.016 20.140 ( 0.000 -20.209 0.044) 20.210 ======================= Grid point 1672 (399/417) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 0.000 -0.000 11.021) 11.021 0.510 ( 0.000 -0.000 11.021) 11.021 2.074 ( -0.000 0.000 -27.854) 27.854 2.074 ( -0.000 0.000 -27.854) 27.854 3.201 ( 0.000 -0.000 31.115) 31.115 8.019 ( -0.000 0.000 -13.394) 13.394 8.132 ( 0.000 -0.000 15.690) 15.690 8.132 ( 0.000 -0.000 15.690) 15.690 8.820 ( -0.000 0.000 -10.337) 10.337 8.820 ( -0.000 0.000 -10.337) 10.337 19.748 ( 0.000 -0.000 0.335) 0.335 21.759 ( 0.000 -0.000 0.504) 0.504 ======================= Grid point 1673 (400/417) ======================= q-point: ( 0.44 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 23.808 13.746 13.801) 30.761 1.159 ( 28.867 16.666 18.427) 38.087 1.936 ( -0.600 -0.346 -24.537) 24.546 2.236 ( 20.966 12.105 -31.694) 39.882 3.316 ( 2.433 1.405 25.658) 25.812 7.831 ( -10.254 -5.920 -4.492) 12.664 8.248 ( 6.886 3.976 13.343) 15.532 8.296 ( 4.568 2.637 11.504) 12.656 8.700 ( -3.016 -1.741 -8.208) 8.916 9.042 ( 17.725 10.233 -17.298) 26.797 19.608 ( -11.232 -6.485 0.883) 13.000 21.635 ( -10.186 -5.881 3.779) 12.354 ======================= Grid point 1674 (401/417) ======================= q-point: ( 0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 20.604 11.896 23.967) 33.770 1.592 ( 6.221 3.591 12.870) 14.739 1.896 ( 7.319 4.226 -27.289) 28.567 2.799 ( 23.411 13.516 -13.118) 30.047 3.621 ( 24.595 14.200 10.441) 30.258 7.515 ( -15.985 -9.229 -1.613) 18.528 8.383 ( 0.742 0.428 -3.451) 3.556 8.496 ( 9.395 5.424 17.409) 20.513 8.663 ( 1.346 0.777 4.346) 4.615 9.479 ( 24.249 14.000 -24.059) 36.917 19.289 ( -15.026 -8.675 1.668) 17.430 21.347 ( -15.367 -8.872 6.778) 18.995 ======================= Grid point 1675 (402/417) ======================= q-point: ( 0.56 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 1.367 0.789 5.333) 5.562 1.736 ( -0.400 -0.231 -0.915) 1.025 2.360 ( 27.975 16.151 3.456) 32.487 3.027 ( 1.623 0.937 2.491) 3.117 4.562 ( 48.613 28.067 -2.480) 56.189 7.080 ( -20.672 -11.935 0.482) 23.875 8.329 ( -1.827 -1.055 -14.056) 14.214 8.769 ( 4.184 2.416 12.272) 13.189 8.785 ( 9.801 5.659 18.225) 21.453 9.960 ( 22.751 13.135 -23.928) 35.534 18.969 ( -11.956 -6.903 1.347) 13.871 20.976 ( -17.916 -10.344 5.933) 21.521 ======================= Grid point 1676 (403/417) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -0.739 -0.427 -4.959) 5.032 1.722 ( 0.388 0.224 1.381) 1.452 3.005 ( -3.038 -1.754 -0.246) 3.517 3.025 ( 25.962 14.989 11.752) 32.199 5.717 ( 49.294 28.460 -2.446) 56.972 6.571 ( -22.514 -12.999 1.926) 26.068 8.228 ( -2.204 -1.272 -16.782) 16.974 8.912 ( 4.294 2.479 12.184) 13.154 9.064 ( 8.768 5.062 16.959) 19.752 10.355 ( 16.907 9.761 -20.105) 28.024 18.753 ( -6.763 -3.905 0.300) 7.815 20.560 ( -18.577 -10.725 3.051) 21.667 ======================= Grid point 1690 (404/417) ======================= q-point: ( 0.44 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 0.000 22.294 14.330) 26.502 1.341 ( 0.000 43.227 20.905) 48.016 1.946 ( -0.000 12.748 -27.939) 30.710 2.023 ( -0.000 9.008 -27.779) 29.203 3.393 ( 0.000 2.133 21.284) 21.391 7.834 ( -0.000 -9.464 -6.952) 11.743 8.126 ( 0.000 -5.052 15.730) 16.521 8.513 ( 0.000 19.773 13.573) 23.983 8.780 ( -0.000 7.647 -15.881) 17.627 8.849 ( -0.000 4.986 -10.997) 12.075 19.611 ( 0.000 -12.880 0.765) 12.903 21.645 ( 0.000 -11.113 2.949) 11.497 ======================= Grid point 1691 (405/417) ======================= q-point: ( 0.50 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 18.307 15.040 18.932) 30.328 1.696 ( 0.979 7.040 14.205) 15.885 1.919 ( -4.482 20.540 -24.186) 32.046 2.478 ( 26.197 31.160 -19.031) 44.938 3.544 ( 6.704 10.764 13.695) 18.665 7.614 ( -9.054 -13.133 -3.163) 16.262 8.213 ( 8.094 -5.424 12.311) 15.700 8.649 ( -8.063 9.574 -10.469) 16.318 8.760 ( 0.009 13.796 15.815) 20.987 9.157 ( 20.207 14.680 -19.767) 31.852 19.386 ( -8.458 -14.815 1.166) 17.099 21.455 ( -7.852 -13.918 4.423) 16.580 ======================= Grid point 1692 (406/417) ======================= q-point: ( 0.56 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 4.308 0.443 7.673) 8.811 1.737 ( -0.307 -0.127 -1.219) 1.264 2.257 ( 15.160 33.357 -0.103) 36.641 2.969 ( 8.315 6.297 -2.241) 10.668 4.140 ( 32.925 33.990 0.761) 47.328 7.245 ( -14.672 -16.725 -0.328) 22.251 8.298 ( 1.846 -1.653 -2.822) 3.756 8.633 ( 3.446 1.407 2.879) 4.706 8.967 ( 0.117 15.286 15.235) 21.582 9.633 ( 21.870 16.438 -19.503) 33.599 19.078 ( -10.192 -11.952 0.982) 15.738 21.136 ( -12.862 -15.103 3.873) 20.212 ======================= Grid point 1693 (407/417) ======================= q-point: ( 0.62 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -0.340 -0.010 -3.450) 3.467 1.730 ( -0.179 0.552 0.008) 0.580 2.907 ( 16.179 25.976 11.939) 32.849 3.032 ( 1.361 3.020 -2.895) 4.399 5.196 ( 43.627 34.946 -2.161) 55.939 6.775 ( -18.060 -18.617 1.739) 25.996 8.242 ( -4.036 2.480 -13.590) 14.392 8.785 ( 9.788 -2.236 11.326) 15.136 9.171 ( 0.842 13.561 13.560) 19.196 10.083 ( 18.633 12.541 -15.981) 27.565 18.824 ( -7.362 -7.287 0.106) 10.359 20.739 ( -15.491 -15.044 1.450) 21.642 ======================= Grid point 1708 (408/417) ======================= q-point: ( 0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 0.000 14.653 20.957) 25.572 1.736 ( 0.000 -0.048 2.411) 2.412 2.105 ( -0.000 20.467 -30.655) 36.859 2.598 ( -0.000 40.426 0.111) 40.426 3.669 ( -0.000 21.191 8.782) 22.938 7.532 ( 0.000 -16.916 -4.112) 17.409 8.139 ( 0.000 -4.083 15.904) 16.419 8.846 ( -0.000 9.035 -10.303) 13.703 8.874 ( -0.000 4.952 -11.683) 12.689 9.109 ( -0.000 29.140 6.190) 29.791 19.295 ( 0.000 -17.323 1.073) 17.356 21.376 ( 0.000 -17.258 3.625) 17.634 ======================= Grid point 1709 (409/417) ======================= q-point: ( 0.56 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 4.770 2.626 13.314) 14.384 1.735 ( -0.042 -0.177 -0.988) 1.004 2.354 ( 10.880 32.221 -17.111) 38.071 2.939 ( 3.769 11.228 3.017) 12.222 4.132 ( 13.690 43.913 2.704) 46.077 7.254 ( -8.172 -20.367 -2.231) 22.058 8.210 ( 5.405 -3.345 12.724) 14.223 8.715 ( -7.876 6.982 -11.414) 15.526 9.076 ( 7.813 8.867 -3.613) 12.358 9.509 ( 9.308 25.965 2.344) 27.682 19.079 ( -5.130 -14.905 0.752) 15.781 21.143 ( -6.426 -18.784 2.332) 19.990 ======================= Grid point 1710 (410/417) ======================= q-point: ( 0.62 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 0.044 0.077 0.000) 0.089 1.735 ( 0.183 0.317 -0.000) 0.366 2.963 ( 19.833 34.352 -0.000) 39.666 3.005 ( -0.658 -1.140 0.000) 1.316 4.968 ( 26.350 45.640 -0.000) 52.701 6.841 ( -13.005 -22.526 -0.000) 26.011 8.283 ( 0.422 0.731 0.000) 0.844 8.691 ( 2.081 3.604 -0.000) 4.161 9.282 ( 5.524 9.568 0.000) 11.048 9.930 ( 11.167 19.343 -0.000) 22.335 18.854 ( -5.672 -9.824 -0.000) 11.344 20.802 ( -10.779 -18.670 -0.000) 21.559 ======================= Grid point 1726 (411/417) ======================= q-point: ( 0.56 0.56 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 0.000 1.127 12.513) 12.563 1.729 ( -0.000 -0.036 -1.592) 1.593 2.490 ( -0.000 32.004 -20.203) 37.847 3.014 ( 0.000 3.419 4.487) 5.641 4.539 ( -0.000 55.127 2.730) 55.194 7.096 ( 0.000 -23.302 -3.008) 23.496 8.174 ( 0.000 -3.137 16.297) 16.596 8.894 ( -0.000 4.927 -12.103) 13.067 8.960 ( -0.000 10.785 -15.811) 19.140 9.760 ( 0.000 26.776 14.979) 30.681 18.974 ( 0.000 -13.956 0.430) 13.963 21.002 ( 0.000 -20.789 0.675) 20.800 ======================= Grid point 1958 (412/417) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 0.000 -0.000 8.316) 8.316 0.612 ( 0.000 -0.000 8.316) 8.316 1.838 ( -0.000 0.000 -17.746) 17.746 1.838 ( -0.000 0.000 -17.746) 17.746 3.443 ( 0.000 -0.000 16.705) 16.705 7.910 ( -0.000 0.000 -7.816) 7.816 8.274 ( 0.000 -0.000 11.841) 11.841 8.274 ( 0.000 -0.000 11.841) 11.841 8.719 ( -0.000 0.000 -9.055) 9.055 8.719 ( -0.000 0.000 -9.055) 9.055 19.751 ( 0.000 -0.000 0.218) 0.218 21.763 ( 0.000 -0.000 0.242) 0.242 ======================= Grid point 1959 (413/417) ======================= q-point: ( 0.50 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 26.183 15.117 5.726) 30.771 1.359 ( 33.644 19.424 20.795) 44.064 1.758 ( -0.918 -0.530 -8.497) 8.563 1.931 ( 17.343 10.013 -28.134) 34.534 3.502 ( 1.648 0.952 10.963) 11.127 7.788 ( -8.376 -4.836 -2.980) 10.120 8.353 ( 0.319 0.184 -1.928) 1.963 8.397 ( 8.354 4.823 15.551) 18.300 8.664 ( 0.647 0.373 2.580) 2.686 8.876 ( 13.836 7.988 -15.700) 22.399 19.615 ( -10.910 -6.299 0.378) 12.604 21.660 ( -8.618 -4.976 1.320) 10.038 ======================= Grid point 1960 (414/417) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 14.584 8.420 -23.614) 29.004 1.703 ( 1.620 0.935 8.230) 8.440 1.812 ( 14.977 8.647 26.978) 32.045 2.661 ( 33.862 19.550 -11.745) 40.827 3.698 ( 18.465 10.661 3.096) 21.545 7.508 ( -15.100 -8.718 0.666) 17.449 8.288 ( -2.565 -1.481 -13.282) 13.608 8.678 ( 9.721 5.612 18.613) 21.736 8.754 ( 3.945 2.278 11.593) 12.456 9.260 ( 23.091 13.332 -19.560) 33.068 19.299 ( -14.857 -8.578 0.317) 17.158 21.387 ( -14.633 -8.448 1.396) 16.954 ======================= Grid point 1976 (415/417) ======================= q-point: ( 0.50 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -0.000 26.924 9.526) 28.560 1.509 ( -0.000 58.639 2.282) 58.683 1.743 ( -0.000 -0.333 -2.196) 2.221 1.797 ( -0.000 3.822 -15.351) 15.820 3.530 ( 0.000 1.733 5.603) 5.865 7.784 ( 0.000 -8.841 -2.453) 9.175 8.271 ( 0.000 -3.812 12.491) 13.059 8.543 ( -0.000 16.084 -11.278) 19.644 8.735 ( 0.000 9.183 10.321) 13.814 8.739 ( -0.000 4.298 -10.398) 11.251 19.616 ( 0.000 -12.568 0.219) 12.570 21.663 ( 0.000 -9.759 0.713) 9.785 ======================= Grid point 1977 (416/417) ======================= q-point: ( 0.56 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 13.190 22.845 0.000) 26.379 1.719 ( 0.618 1.071 -0.000) 1.236 1.817 ( 5.187 8.985 -0.000) 10.375 2.366 ( 24.482 42.403 -0.000) 48.963 3.615 ( 5.471 9.475 -0.000) 10.941 7.597 ( -7.724 -13.379 -0.000) 15.448 8.288 ( -0.665 -1.152 0.000) 1.330 8.580 ( 1.776 3.076 -0.000) 3.552 8.887 ( 5.170 8.955 0.000) 10.341 9.014 ( 12.427 21.523 -0.000) 24.853 19.392 ( -8.428 -14.597 -0.000) 16.856 21.477 ( -7.634 -13.222 -0.000) 15.267 ======================= Grid point 2249 (417/417) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 2.98e-04 6.53e-05 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -0.000 0.000 -0.000) 0.000 0.657 ( -0.000 0.000 -0.000) 0.000 1.744 ( 0.000 -0.000 0.000) 0.000 1.744 ( 0.000 -0.000 0.000) 0.000 3.528 ( -0.000 0.000 -0.000) 0.000 7.870 ( 0.000 -0.000 0.000) 0.000 8.343 ( -0.000 0.000 -0.000) 0.000 8.343 ( -0.000 0.000 -0.000) 0.000 8.665 ( 0.000 -0.000 0.000) 0.000 8.665 ( 0.000 -0.000 0.000) 0.000 19.752 ( 0.000 -0.000 0.000) 0.000 21.764 ( 0.000 -0.000 0.000) 0.000 =================== 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 3/49152 10.0 393.473 393.473 901.574 -0.000 0.000 -0.000 3/49152 20.0 259.830 259.830 536.124 -0.000 0.000 -0.000 3/49152 30.0 178.700 178.700 407.361 -0.000 0.000 -0.000 3/49152 40.0 136.005 136.005 326.536 -0.000 0.000 -0.000 3/49152 50.0 107.003 107.003 261.439 -0.000 0.000 -0.000 3/49152 60.0 85.189 85.189 208.380 -0.000 0.000 -0.000 3/49152 70.0 68.933 68.933 167.187 -0.000 0.000 -0.000 3/49152 80.0 57.010 57.010 136.261 -0.000 0.000 -0.000 3/49152 90.0 48.229 48.229 113.240 -0.000 0.000 -0.000 3/49152 100.0 41.648 41.648 95.970 -0.000 0.000 -0.000 3/49152 110.0 36.600 36.600 82.805 -0.000 0.000 -0.000 3/49152 120.0 32.636 32.636 72.577 -0.000 0.000 -0.000 3/49152 130.0 29.454 29.454 64.476 -0.000 0.000 -0.000 3/49152 140.0 26.848 26.848 57.941 -0.000 0.000 -0.000 3/49152 150.0 24.677 24.677 52.579 -0.000 0.000 -0.000 3/49152 160.0 22.841 22.841 48.113 -0.000 0.000 -0.000 3/49152 170.0 21.268 21.268 44.344 -0.000 0.000 -0.000 3/49152 180.0 19.905 19.905 41.124 -0.000 0.000 -0.000 3/49152 190.0 18.713 18.713 38.344 -0.000 0.000 -0.000 3/49152 200.0 17.660 17.660 35.920 -0.000 0.000 -0.000 3/49152 210.0 16.724 16.724 33.790 -0.000 0.000 -0.000 3/49152 220.0 15.885 15.885 31.903 -0.000 0.000 -0.000 3/49152 230.0 15.129 15.129 30.220 -0.000 0.000 -0.000 3/49152 240.0 14.444 14.444 28.711 -0.000 0.000 -0.000 3/49152 250.0 13.821 13.821 27.349 -0.000 0.000 -0.000 3/49152 260.0 13.251 13.251 26.113 -0.000 0.000 -0.000 3/49152 270.0 12.727 12.727 24.988 -0.000 0.000 -0.000 3/49152 280.0 12.245 12.245 23.959 -0.000 0.000 -0.000 3/49152 290.0 11.799 11.799 23.013 -0.000 0.000 -0.000 3/49152 300.0 11.385 11.385 22.142 -0.000 0.000 -0.000 3/49152 310.0 11.000 11.000 21.336 -0.000 0.000 -0.000 3/49152 320.0 10.640 10.640 20.588 -0.000 0.000 -0.000 3/49152 330.0 10.304 10.304 19.893 -0.000 0.000 -0.000 3/49152 340.0 9.989 9.989 19.244 -0.000 0.000 -0.000 3/49152 350.0 9.694 9.694 18.638 -0.000 0.000 -0.000 3/49152 360.0 9.415 9.415 18.070 -0.000 0.000 -0.000 3/49152 370.0 9.153 9.153 17.536 -0.000 0.000 -0.000 3/49152 380.0 8.904 8.904 17.034 -0.000 0.000 -0.000 3/49152 390.0 8.670 8.670 16.561 -0.000 0.000 -0.000 3/49152 400.0 8.447 8.447 16.114 -0.000 0.000 -0.000 3/49152 410.0 8.236 8.236 15.691 -0.000 0.000 -0.000 3/49152 420.0 8.036 8.036 15.290 -0.000 0.000 -0.000 3/49152 430.0 7.845 7.845 14.910 -0.000 0.000 -0.000 3/49152 440.0 7.663 7.663 14.548 -0.000 0.000 -0.000 3/49152 450.0 7.489 7.489 14.205 -0.000 0.000 -0.000 3/49152 460.0 7.323 7.323 13.877 -0.000 0.000 -0.000 3/49152 470.0 7.165 7.165 13.565 -0.000 0.000 -0.000 3/49152 480.0 7.013 7.013 13.266 -0.000 0.000 -0.000 3/49152 490.0 6.868 6.868 12.981 -0.000 0.000 -0.000 3/49152 500.0 6.729 6.729 12.708 -0.000 0.000 -0.000 3/49152 510.0 6.595 6.595 12.447 -0.000 0.000 -0.000 3/49152 520.0 6.466 6.466 12.196 -0.000 0.000 -0.000 3/49152 530.0 6.343 6.343 11.956 -0.000 0.000 -0.000 3/49152 540.0 6.224 6.224 11.725 -0.000 0.000 -0.000 3/49152 550.0 6.110 6.110 11.502 -0.000 0.000 -0.000 3/49152 560.0 5.999 5.999 11.289 -0.000 0.000 -0.000 3/49152 570.0 5.893 5.893 11.083 -0.000 0.000 -0.000 3/49152 580.0 5.791 5.791 10.885 -0.000 0.000 -0.000 3/49152 590.0 5.692 5.692 10.693 -0.000 0.000 -0.000 3/49152 600.0 5.596 5.596 10.509 -0.000 0.000 -0.000 3/49152 610.0 5.503 5.503 10.331 -0.000 0.000 -0.000 3/49152 620.0 5.414 5.414 10.159 -0.000 0.000 -0.000 3/49152 630.0 5.327 5.327 9.992 -0.000 0.000 -0.000 3/49152 640.0 5.244 5.244 9.832 -0.000 0.000 -0.000 3/49152 650.0 5.162 5.162 9.676 -0.000 0.000 -0.000 3/49152 660.0 5.084 5.084 9.525 -0.000 0.000 -0.000 3/49152 670.0 5.007 5.007 9.379 -0.000 0.000 -0.000 3/49152 680.0 4.933 4.933 9.237 -0.000 0.000 -0.000 3/49152 690.0 4.861 4.861 9.100 -0.000 0.000 -0.000 3/49152 700.0 4.792 4.792 8.967 -0.000 0.000 -0.000 3/49152 710.0 4.724 4.724 8.837 -0.000 0.000 -0.000 3/49152 720.0 4.658 4.658 8.712 -0.000 0.000 -0.000 3/49152 730.0 4.594 4.594 8.590 -0.000 0.000 -0.000 3/49152 740.0 4.532 4.532 8.471 -0.000 0.000 -0.000 3/49152 750.0 4.471 4.471 8.355 -0.000 0.000 -0.000 3/49152 760.0 4.412 4.412 8.243 -0.000 0.000 -0.000 3/49152 770.0 4.354 4.354 8.134 -0.000 0.000 -0.000 3/49152 780.0 4.298 4.298 8.028 -0.000 0.000 -0.000 3/49152 790.0 4.244 4.244 7.924 -0.000 0.000 -0.000 3/49152 800.0 4.191 4.191 7.823 -0.000 0.000 -0.000 3/49152 810.0 4.139 4.139 7.725 -0.000 0.000 -0.000 3/49152 820.0 4.088 4.088 7.629 -0.000 0.000 -0.000 3/49152 830.0 4.039 4.039 7.535 -0.000 0.000 -0.000 3/49152 840.0 3.990 3.990 7.444 -0.000 0.000 -0.000 3/49152 850.0 3.943 3.943 7.355 -0.000 0.000 -0.000 3/49152 860.0 3.897 3.897 7.268 -0.000 0.000 -0.000 3/49152 870.0 3.853 3.853 7.183 -0.000 0.000 -0.000 3/49152 880.0 3.809 3.809 7.101 -0.000 0.000 -0.000 3/49152 890.0 3.766 3.766 7.020 -0.000 0.000 -0.000 3/49152 900.0 3.724 3.724 6.940 -0.000 0.000 -0.000 3/49152 910.0 3.683 3.683 6.863 -0.000 0.000 -0.000 3/49152 920.0 3.643 3.643 6.788 -0.000 0.000 -0.000 3/49152 930.0 3.604 3.604 6.714 -0.000 0.000 -0.000 3/49152 940.0 3.565 3.565 6.641 -0.000 0.000 -0.000 3/49152 950.0 3.528 3.528 6.570 -0.000 0.000 -0.000 3/49152 960.0 3.491 3.491 6.501 -0.000 0.000 -0.000 3/49152 970.0 3.455 3.455 6.433 -0.000 0.000 -0.000 3/49152 980.0 3.420 3.420 6.367 -0.000 0.000 -0.000 3/49152 990.0 3.385 3.385 6.302 -0.000 0.000 -0.000 3/49152 1000.0 3.351 3.351 6.238 -0.000 0.000 -0.000 3/49152 Thermal conductivity related properties were written into "kappa-m161616.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:15:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|