----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:43:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmmm (65) Number of symmetry operations in supercell: 192 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.443826394999999 -3.538931364999999 0.000000000000000 b 3.443826394999999 3.538931364999999 0.000000000000000 c 0.000000000000000 0.000000000000000 3.496080189999999 Atomic positions (fractional): *1 O 0.28461098428090 0.28461098428090 0.00000000000000 15.999 *2 O 0.17751994847316 0.82248005152684 0.50000000000000 15.999 3 O 0.71538901571910 0.71538901571910 0.00000000000000 15.999 4 O 0.82248005152684 0.17751994847316 0.50000000000000 15.999 *5 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 *6 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.887652789999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.077862729999999 0.000000000000000 c 0.000000000000000 0.000000000000000 3.496080189999999 Atomic positions (fractional): *1 O 0.28461098428090 0.00000000000000 0.00000000000000 15.999 > 1 *2 O 0.50000000000000 0.32248005152684 0.50000000000000 15.999 > 2 3 O 0.71538901571910 0.00000000000000 0.00000000000000 15.999 > 3 4 O 0.50000000000000 0.67751994847316 0.50000000000000 15.999 > 4 5 O 0.78461098428090 0.50000000000000 0.00000000000000 15.999 > 1 6 O 0.00000000000000 0.82248005152684 0.50000000000000 15.999 > 2 7 O 0.21538901571910 0.50000000000000 0.00000000000000 15.999 > 3 8 O 0.00000000000000 0.17751994847316 0.50000000000000 15.999 > 4 *9 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 5 10 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 > 5 *11 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 6 12 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.775305579999998 0.000000000000000 0.000000000000000 b 0.000000000000000 14.155725459999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.488240569999997 Atomic positions (fractional): *1 O 0.14230549214045 0.00000000000000 0.00000000000000 15.999 > 1 2 O 0.64230549214045 0.00000000000000 0.00000000000000 15.999 > 1 3 O 0.14230549214045 0.50000000000000 0.00000000000000 15.999 > 1 4 O 0.64230549214045 0.50000000000000 0.00000000000000 15.999 > 1 5 O 0.14230549214045 0.00000000000000 0.33333333333333 15.999 > 1 6 O 0.64230549214045 0.00000000000000 0.33333333333333 15.999 > 1 7 O 0.14230549214045 0.50000000000000 0.33333333333333 15.999 > 1 8 O 0.64230549214045 0.50000000000000 0.33333333333333 15.999 > 1 9 O 0.14230549214045 0.00000000000000 0.66666666666667 15.999 > 1 10 O 0.64230549214045 0.00000000000000 0.66666666666667 15.999 > 1 11 O 0.14230549214045 0.50000000000000 0.66666666666667 15.999 > 1 12 O 0.64230549214045 0.50000000000000 0.66666666666667 15.999 > 1 *13 O 0.25000000000000 0.16124002576342 0.16666666666667 15.999 > 2 14 O 0.75000000000000 0.16124002576342 0.16666666666667 15.999 > 2 15 O 0.25000000000000 0.66124002576342 0.16666666666667 15.999 > 2 16 O 0.75000000000000 0.66124002576342 0.16666666666667 15.999 > 2 17 O 0.25000000000000 0.16124002576342 0.50000000000000 15.999 > 2 18 O 0.75000000000000 0.16124002576342 0.50000000000000 15.999 > 2 19 O 0.25000000000000 0.66124002576342 0.50000000000000 15.999 > 2 20 O 0.75000000000000 0.66124002576342 0.50000000000000 15.999 > 2 21 O 0.25000000000000 0.16124002576342 0.83333333333333 15.999 > 2 22 O 0.75000000000000 0.16124002576342 0.83333333333333 15.999 > 2 23 O 0.25000000000000 0.66124002576342 0.83333333333333 15.999 > 2 24 O 0.75000000000000 0.66124002576342 0.83333333333333 15.999 > 2 25 O 0.35769450785955 0.00000000000000 0.00000000000000 15.999 > 3 26 O 0.85769450785955 0.00000000000000 0.00000000000000 15.999 > 3 27 O 0.35769450785955 0.50000000000000 0.00000000000000 15.999 > 3 28 O 0.85769450785955 0.50000000000000 0.00000000000000 15.999 > 3 29 O 0.35769450785955 0.00000000000000 0.33333333333333 15.999 > 3 30 O 0.85769450785955 0.00000000000000 0.33333333333333 15.999 > 3 31 O 0.35769450785955 0.50000000000000 0.33333333333333 15.999 > 3 32 O 0.85769450785955 0.50000000000000 0.33333333333333 15.999 > 3 33 O 0.35769450785955 0.00000000000000 0.66666666666667 15.999 > 3 34 O 0.85769450785955 0.00000000000000 0.66666666666667 15.999 > 3 35 O 0.35769450785955 0.50000000000000 0.66666666666667 15.999 > 3 36 O 0.85769450785955 0.50000000000000 0.66666666666667 15.999 > 3 37 O 0.25000000000000 0.33875997423658 0.16666666666667 15.999 > 4 38 O 0.75000000000000 0.33875997423658 0.16666666666667 15.999 > 4 39 O 0.25000000000000 0.83875997423658 0.16666666666667 15.999 > 4 40 O 0.75000000000000 0.83875997423658 0.16666666666667 15.999 > 4 41 O 0.25000000000000 0.33875997423658 0.50000000000000 15.999 > 4 42 O 0.75000000000000 0.33875997423658 0.50000000000000 15.999 > 4 43 O 0.25000000000000 0.83875997423658 0.50000000000000 15.999 > 4 44 O 0.75000000000000 0.83875997423658 0.50000000000000 15.999 > 4 45 O 0.25000000000000 0.33875997423658 0.83333333333333 15.999 > 4 46 O 0.75000000000000 0.33875997423658 0.83333333333333 15.999 > 4 47 O 0.25000000000000 0.83875997423658 0.83333333333333 15.999 > 4 48 O 0.75000000000000 0.83875997423658 0.83333333333333 15.999 > 4 49 O 0.39230549214045 0.25000000000000 0.00000000000000 15.999 > 1 50 O 0.89230549214045 0.25000000000000 0.00000000000000 15.999 > 1 51 O 0.39230549214045 0.75000000000000 0.00000000000000 15.999 > 1 52 O 0.89230549214045 0.75000000000000 0.00000000000000 15.999 > 1 53 O 0.39230549214045 0.25000000000000 0.33333333333333 15.999 > 1 54 O 0.89230549214045 0.25000000000000 0.33333333333333 15.999 > 1 55 O 0.39230549214045 0.75000000000000 0.33333333333333 15.999 > 1 56 O 0.89230549214045 0.75000000000000 0.33333333333333 15.999 > 1 57 O 0.39230549214045 0.25000000000000 0.66666666666667 15.999 > 1 58 O 0.89230549214045 0.25000000000000 0.66666666666667 15.999 > 1 59 O 0.39230549214045 0.75000000000000 0.66666666666667 15.999 > 1 60 O 0.89230549214045 0.75000000000000 0.66666666666667 15.999 > 1 61 O 0.00000000000000 0.41124002576342 0.16666666666667 15.999 > 2 62 O 0.50000000000000 0.41124002576342 0.16666666666667 15.999 > 2 63 O 0.00000000000000 0.91124002576342 0.16666666666667 15.999 > 2 64 O 0.50000000000000 0.91124002576342 0.16666666666667 15.999 > 2 65 O 0.00000000000000 0.41124002576342 0.50000000000000 15.999 > 2 66 O 0.50000000000000 0.41124002576342 0.50000000000000 15.999 > 2 67 O 0.00000000000000 0.91124002576342 0.50000000000000 15.999 > 2 68 O 0.50000000000000 0.91124002576342 0.50000000000000 15.999 > 2 69 O 0.00000000000000 0.41124002576342 0.83333333333333 15.999 > 2 70 O 0.50000000000000 0.41124002576342 0.83333333333333 15.999 > 2 71 O 0.00000000000000 0.91124002576342 0.83333333333333 15.999 > 2 72 O 0.50000000000000 0.91124002576342 0.83333333333333 15.999 > 2 73 O 0.10769450785955 0.25000000000000 0.00000000000000 15.999 > 3 74 O 0.60769450785955 0.25000000000000 0.00000000000000 15.999 > 3 75 O 0.10769450785955 0.75000000000000 0.00000000000000 15.999 > 3 76 O 0.60769450785955 0.75000000000000 0.00000000000000 15.999 > 3 77 O 0.10769450785955 0.25000000000000 0.33333333333333 15.999 > 3 78 O 0.60769450785955 0.25000000000000 0.33333333333333 15.999 > 3 79 O 0.10769450785955 0.75000000000000 0.33333333333333 15.999 > 3 80 O 0.60769450785955 0.75000000000000 0.33333333333333 15.999 > 3 81 O 0.10769450785955 0.25000000000000 0.66666666666667 15.999 > 3 82 O 0.60769450785955 0.25000000000000 0.66666666666667 15.999 > 3 83 O 0.10769450785955 0.75000000000000 0.66666666666667 15.999 > 3 84 O 0.60769450785955 0.75000000000000 0.66666666666667 15.999 > 3 85 O 0.00000000000000 0.08875997423658 0.16666666666667 15.999 > 4 86 O 0.50000000000000 0.08875997423658 0.16666666666667 15.999 > 4 87 O 0.00000000000000 0.58875997423658 0.16666666666667 15.999 > 4 88 O 0.50000000000000 0.58875997423658 0.16666666666667 15.999 > 4 89 O 0.00000000000000 0.08875997423658 0.50000000000000 15.999 > 4 90 O 0.50000000000000 0.08875997423658 0.50000000000000 15.999 > 4 91 O 0.00000000000000 0.58875997423658 0.50000000000000 15.999 > 4 92 O 0.50000000000000 0.58875997423658 0.50000000000000 15.999 > 4 93 O 0.00000000000000 0.08875997423658 0.83333333333333 15.999 > 4 94 O 0.50000000000000 0.08875997423658 0.83333333333333 15.999 > 4 95 O 0.00000000000000 0.58875997423658 0.83333333333333 15.999 > 4 96 O 0.50000000000000 0.58875997423658 0.83333333333333 15.999 > 4 *97 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 5 98 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 > 5 99 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 > 5 100 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 > 5 101 U 0.00000000000000 0.00000000000000 0.33333333333333 238.029 > 5 102 U 0.50000000000000 0.00000000000000 0.33333333333333 238.029 > 5 103 U 0.00000000000000 0.50000000000000 0.33333333333333 238.029 > 5 104 U 0.50000000000000 0.50000000000000 0.33333333333333 238.029 > 5 105 U 0.00000000000000 0.00000000000000 0.66666666666667 238.029 > 5 106 U 0.50000000000000 0.00000000000000 0.66666666666667 238.029 > 5 107 U 0.00000000000000 0.50000000000000 0.66666666666667 238.029 > 5 108 U 0.50000000000000 0.50000000000000 0.66666666666667 238.029 > 5 109 U 0.25000000000000 0.25000000000000 0.00000000000000 238.029 > 5 110 U 0.75000000000000 0.25000000000000 0.00000000000000 238.029 > 5 111 U 0.25000000000000 0.75000000000000 0.00000000000000 238.029 > 5 112 U 0.75000000000000 0.75000000000000 0.00000000000000 238.029 > 5 113 U 0.25000000000000 0.25000000000000 0.33333333333333 238.029 > 5 114 U 0.75000000000000 0.25000000000000 0.33333333333333 238.029 > 5 115 U 0.25000000000000 0.75000000000000 0.33333333333333 238.029 > 5 116 U 0.75000000000000 0.75000000000000 0.33333333333333 238.029 > 5 117 U 0.25000000000000 0.25000000000000 0.66666666666667 238.029 > 5 118 U 0.75000000000000 0.25000000000000 0.66666666666667 238.029 > 5 119 U 0.25000000000000 0.75000000000000 0.66666666666667 238.029 > 5 120 U 0.75000000000000 0.75000000000000 0.66666666666667 238.029 > 5 *121 Cd 0.25000000000000 0.00000000000000 0.16666666666667 112.411 > 6 122 Cd 0.75000000000000 0.00000000000000 0.16666666666667 112.411 > 6 123 Cd 0.25000000000000 0.50000000000000 0.16666666666667 112.411 > 6 124 Cd 0.75000000000000 0.50000000000000 0.16666666666667 112.411 > 6 125 Cd 0.25000000000000 0.00000000000000 0.50000000000000 112.411 > 6 126 Cd 0.75000000000000 0.00000000000000 0.50000000000000 112.411 > 6 127 Cd 0.25000000000000 0.50000000000000 0.50000000000000 112.411 > 6 128 Cd 0.75000000000000 0.50000000000000 0.50000000000000 112.411 > 6 129 Cd 0.25000000000000 0.00000000000000 0.83333333333333 112.411 > 6 130 Cd 0.75000000000000 0.00000000000000 0.83333333333333 112.411 > 6 131 Cd 0.25000000000000 0.50000000000000 0.83333333333333 112.411 > 6 132 Cd 0.75000000000000 0.50000000000000 0.83333333333333 112.411 > 6 133 Cd 0.00000000000000 0.25000000000000 0.16666666666667 112.411 > 6 134 Cd 0.50000000000000 0.25000000000000 0.16666666666667 112.411 > 6 135 Cd 0.00000000000000 0.75000000000000 0.16666666666667 112.411 > 6 136 Cd 0.50000000000000 0.75000000000000 0.16666666666667 112.411 > 6 137 Cd 0.00000000000000 0.25000000000000 0.50000000000000 112.411 > 6 138 Cd 0.50000000000000 0.25000000000000 0.50000000000000 112.411 > 6 139 Cd 0.00000000000000 0.75000000000000 0.50000000000000 112.411 > 6 140 Cd 0.50000000000000 0.75000000000000 0.50000000000000 112.411 > 6 141 Cd 0.00000000000000 0.25000000000000 0.83333333333333 112.411 > 6 142 Cd 0.50000000000000 0.25000000000000 0.83333333333333 112.411 > 6 143 Cd 0.00000000000000 0.75000000000000 0.83333333333333 112.411 > 6 144 Cd 0.50000000000000 0.75000000000000 0.83333333333333 112.411 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4611759 0.0000000 0.0000000 0.0000000 4.1378811 0.0000000 0.0000000 0.0000000 6.4848490 -------------------------- Born effective charges -------------------------- 1 O -4.1475223 0.0000000 0.0000000 0.0000000 -0.9440324 0.0000000 0.0000000 0.0000000 -1.3788522 2 O -0.7522466 0.0000000 0.0000000 0.0000000 -2.1881853 0.0000000 0.0000000 0.0000000 -4.0891614 3 O -4.1475223 0.0000000 0.0000000 0.0000000 -0.9440324 0.0000000 0.0000000 0.0000000 -1.3788522 4 O -0.7522466 0.0000000 0.0000000 0.0000000 -2.1881853 0.0000000 0.0000000 0.0000000 -4.0891614 5 U 6.6315287 0.0000000 0.0000000 0.0000000 3.3542195 0.0000000 0.0000000 0.0000000 8.5722533 6 Cd 3.1680090 0.0000000 0.0000000 0.0000000 2.9102158 0.0000000 0.0000000 0.0000000 2.3637740 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 5148/5148 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 632 Number of blocks in projector: 640 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 84 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 70 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 70 Use standard eigh solver. Tree of FC basis block matrices: - (632, 620), data: False |-- (70, 70), data: True |-- (70, 70), data: True |-- (84, 84), data: True |-- (136, 132), data: True |-- (136, 132), data: True |-- (136, 132), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 160 - Time: 0.636 Solver_block: 160 / 160 - Time: 0.431 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.089 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 5148/5148 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 632 Number of blocks in projector: 640 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 84 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 70 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 70 Use standard eigh solver. Tree of FC basis block matrices: - (632, 620), data: False |-- (70, 70), data: True |-- (70, 70), data: True |-- (84, 84), data: True |-- (136, 132), data: True |-- (136, 132), data: True |-- (136, 132), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:43:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:43:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmmm (65) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.443826394999999 -3.538931364999999 0.000000000000000 b 3.443826394999999 3.538931364999999 0.000000000000000 c 0.000000000000000 0.000000000000000 3.496080189999999 Atomic positions (fractional): 1 O 0.28461098428090 0.28461098428090 0.00000000000000 15.999 2 O 0.17751994847316 0.82248005152684 0.50000000000000 15.999 3 O 0.71538901571910 0.71538901571910 0.00000000000000 15.999 4 O 0.82248005152684 0.17751994847316 0.50000000000000 15.999 5 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 6 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.775305579999998 0.000000000000000 0.000000000000000 b 0.000000000000000 14.155725459999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.488240569999997 Atomic positions (fractional): 1 O 0.14230549214045 0.00000000000000 0.00000000000000 15.999 > 1 2 O 0.64230549214045 0.00000000000000 0.00000000000000 15.999 > 1 3 O 0.14230549214045 0.50000000000000 0.00000000000000 15.999 > 1 4 O 0.64230549214045 0.50000000000000 0.00000000000000 15.999 > 1 5 O 0.14230549214045 0.00000000000000 0.33333333333333 15.999 > 1 6 O 0.64230549214045 0.00000000000000 0.33333333333333 15.999 > 1 7 O 0.14230549214045 0.50000000000000 0.33333333333333 15.999 > 1 8 O 0.64230549214045 0.50000000000000 0.33333333333333 15.999 > 1 9 O 0.14230549214045 0.00000000000000 0.66666666666667 15.999 > 1 10 O 0.64230549214045 0.00000000000000 0.66666666666667 15.999 > 1 11 O 0.14230549214045 0.50000000000000 0.66666666666667 15.999 > 1 12 O 0.64230549214045 0.50000000000000 0.66666666666667 15.999 > 1 13 O 0.25000000000000 0.16124002576342 0.16666666666667 15.999 > 13 14 O 0.75000000000000 0.16124002576342 0.16666666666667 15.999 > 13 15 O 0.25000000000000 0.66124002576342 0.16666666666667 15.999 > 13 16 O 0.75000000000000 0.66124002576342 0.16666666666667 15.999 > 13 17 O 0.25000000000000 0.16124002576342 0.50000000000000 15.999 > 13 18 O 0.75000000000000 0.16124002576342 0.50000000000000 15.999 > 13 19 O 0.25000000000000 0.66124002576342 0.50000000000000 15.999 > 13 20 O 0.75000000000000 0.66124002576342 0.50000000000000 15.999 > 13 21 O 0.25000000000000 0.16124002576342 0.83333333333333 15.999 > 13 22 O 0.75000000000000 0.16124002576342 0.83333333333333 15.999 > 13 23 O 0.25000000000000 0.66124002576342 0.83333333333333 15.999 > 13 24 O 0.75000000000000 0.66124002576342 0.83333333333333 15.999 > 13 25 O 0.35769450785955 0.00000000000000 0.00000000000000 15.999 > 25 26 O 0.85769450785955 0.00000000000000 0.00000000000000 15.999 > 25 27 O 0.35769450785955 0.50000000000000 0.00000000000000 15.999 > 25 28 O 0.85769450785955 0.50000000000000 0.00000000000000 15.999 > 25 29 O 0.35769450785955 0.00000000000000 0.33333333333333 15.999 > 25 30 O 0.85769450785955 0.00000000000000 0.33333333333333 15.999 > 25 31 O 0.35769450785955 0.50000000000000 0.33333333333333 15.999 > 25 32 O 0.85769450785955 0.50000000000000 0.33333333333333 15.999 > 25 33 O 0.35769450785955 0.00000000000000 0.66666666666667 15.999 > 25 34 O 0.85769450785955 0.00000000000000 0.66666666666667 15.999 > 25 35 O 0.35769450785955 0.50000000000000 0.66666666666667 15.999 > 25 36 O 0.85769450785955 0.50000000000000 0.66666666666667 15.999 > 25 37 O 0.25000000000000 0.33875997423658 0.16666666666667 15.999 > 37 38 O 0.75000000000000 0.33875997423658 0.16666666666667 15.999 > 37 39 O 0.25000000000000 0.83875997423658 0.16666666666667 15.999 > 37 40 O 0.75000000000000 0.83875997423658 0.16666666666667 15.999 > 37 41 O 0.25000000000000 0.33875997423658 0.50000000000000 15.999 > 37 42 O 0.75000000000000 0.33875997423658 0.50000000000000 15.999 > 37 43 O 0.25000000000000 0.83875997423658 0.50000000000000 15.999 > 37 44 O 0.75000000000000 0.83875997423658 0.50000000000000 15.999 > 37 45 O 0.25000000000000 0.33875997423658 0.83333333333333 15.999 > 37 46 O 0.75000000000000 0.33875997423658 0.83333333333333 15.999 > 37 47 O 0.25000000000000 0.83875997423658 0.83333333333333 15.999 > 37 48 O 0.75000000000000 0.83875997423658 0.83333333333333 15.999 > 37 49 O 0.39230549214045 0.25000000000000 0.00000000000000 15.999 > 1 50 O 0.89230549214045 0.25000000000000 0.00000000000000 15.999 > 1 51 O 0.39230549214045 0.75000000000000 0.00000000000000 15.999 > 1 52 O 0.89230549214045 0.75000000000000 0.00000000000000 15.999 > 1 53 O 0.39230549214045 0.25000000000000 0.33333333333333 15.999 > 1 54 O 0.89230549214045 0.25000000000000 0.33333333333333 15.999 > 1 55 O 0.39230549214045 0.75000000000000 0.33333333333333 15.999 > 1 56 O 0.89230549214045 0.75000000000000 0.33333333333333 15.999 > 1 57 O 0.39230549214045 0.25000000000000 0.66666666666667 15.999 > 1 58 O 0.89230549214045 0.25000000000000 0.66666666666667 15.999 > 1 59 O 0.39230549214045 0.75000000000000 0.66666666666667 15.999 > 1 60 O 0.89230549214045 0.75000000000000 0.66666666666667 15.999 > 1 61 O 0.00000000000000 0.41124002576342 0.16666666666667 15.999 > 13 62 O 0.50000000000000 0.41124002576342 0.16666666666667 15.999 > 13 63 O 0.00000000000000 0.91124002576342 0.16666666666667 15.999 > 13 64 O 0.50000000000000 0.91124002576342 0.16666666666667 15.999 > 13 65 O 0.00000000000000 0.41124002576342 0.50000000000000 15.999 > 13 66 O 0.50000000000000 0.41124002576342 0.50000000000000 15.999 > 13 67 O 0.00000000000000 0.91124002576342 0.50000000000000 15.999 > 13 68 O 0.50000000000000 0.91124002576342 0.50000000000000 15.999 > 13 69 O 0.00000000000000 0.41124002576342 0.83333333333333 15.999 > 13 70 O 0.50000000000000 0.41124002576342 0.83333333333333 15.999 > 13 71 O 0.00000000000000 0.91124002576342 0.83333333333333 15.999 > 13 72 O 0.50000000000000 0.91124002576342 0.83333333333333 15.999 > 13 73 O 0.10769450785955 0.25000000000000 0.00000000000000 15.999 > 25 74 O 0.60769450785955 0.25000000000000 0.00000000000000 15.999 > 25 75 O 0.10769450785955 0.75000000000000 0.00000000000000 15.999 > 25 76 O 0.60769450785955 0.75000000000000 0.00000000000000 15.999 > 25 77 O 0.10769450785955 0.25000000000000 0.33333333333333 15.999 > 25 78 O 0.60769450785955 0.25000000000000 0.33333333333333 15.999 > 25 79 O 0.10769450785955 0.75000000000000 0.33333333333333 15.999 > 25 80 O 0.60769450785955 0.75000000000000 0.33333333333333 15.999 > 25 81 O 0.10769450785955 0.25000000000000 0.66666666666667 15.999 > 25 82 O 0.60769450785955 0.25000000000000 0.66666666666667 15.999 > 25 83 O 0.10769450785955 0.75000000000000 0.66666666666667 15.999 > 25 84 O 0.60769450785955 0.75000000000000 0.66666666666667 15.999 > 25 85 O 0.00000000000000 0.08875997423658 0.16666666666667 15.999 > 37 86 O 0.50000000000000 0.08875997423658 0.16666666666667 15.999 > 37 87 O 0.00000000000000 0.58875997423658 0.16666666666667 15.999 > 37 88 O 0.50000000000000 0.58875997423658 0.16666666666667 15.999 > 37 89 O 0.00000000000000 0.08875997423658 0.50000000000000 15.999 > 37 90 O 0.50000000000000 0.08875997423658 0.50000000000000 15.999 > 37 91 O 0.00000000000000 0.58875997423658 0.50000000000000 15.999 > 37 92 O 0.50000000000000 0.58875997423658 0.50000000000000 15.999 > 37 93 O 0.00000000000000 0.08875997423658 0.83333333333333 15.999 > 37 94 O 0.50000000000000 0.08875997423658 0.83333333333333 15.999 > 37 95 O 0.00000000000000 0.58875997423658 0.83333333333333 15.999 > 37 96 O 0.50000000000000 0.58875997423658 0.83333333333333 15.999 > 37 97 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 97 98 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 > 97 99 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 > 97 100 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 > 97 101 U 0.00000000000000 0.00000000000000 0.33333333333333 238.029 > 97 102 U 0.50000000000000 0.00000000000000 0.33333333333333 238.029 > 97 103 U 0.00000000000000 0.50000000000000 0.33333333333333 238.029 > 97 104 U 0.50000000000000 0.50000000000000 0.33333333333333 238.029 > 97 105 U 0.00000000000000 0.00000000000000 0.66666666666667 238.029 > 97 106 U 0.50000000000000 0.00000000000000 0.66666666666667 238.029 > 97 107 U 0.00000000000000 0.50000000000000 0.66666666666667 238.029 > 97 108 U 0.50000000000000 0.50000000000000 0.66666666666667 238.029 > 97 109 U 0.25000000000000 0.25000000000000 0.00000000000000 238.029 > 97 110 U 0.75000000000000 0.25000000000000 0.00000000000000 238.029 > 97 111 U 0.25000000000000 0.75000000000000 0.00000000000000 238.029 > 97 112 U 0.75000000000000 0.75000000000000 0.00000000000000 238.029 > 97 113 U 0.25000000000000 0.25000000000000 0.33333333333333 238.029 > 97 114 U 0.75000000000000 0.25000000000000 0.33333333333333 238.029 > 97 115 U 0.25000000000000 0.75000000000000 0.33333333333333 238.029 > 97 116 U 0.75000000000000 0.75000000000000 0.33333333333333 238.029 > 97 117 U 0.25000000000000 0.25000000000000 0.66666666666667 238.029 > 97 118 U 0.75000000000000 0.25000000000000 0.66666666666667 238.029 > 97 119 U 0.25000000000000 0.75000000000000 0.66666666666667 238.029 > 97 120 U 0.75000000000000 0.75000000000000 0.66666666666667 238.029 > 97 121 Cd 0.25000000000000 0.00000000000000 0.16666666666667 112.411 > 121 122 Cd 0.75000000000000 0.00000000000000 0.16666666666667 112.411 > 121 123 Cd 0.25000000000000 0.50000000000000 0.16666666666667 112.411 > 121 124 Cd 0.75000000000000 0.50000000000000 0.16666666666667 112.411 > 121 125 Cd 0.25000000000000 0.00000000000000 0.50000000000000 112.411 > 121 126 Cd 0.75000000000000 0.00000000000000 0.50000000000000 112.411 > 121 127 Cd 0.25000000000000 0.50000000000000 0.50000000000000 112.411 > 121 128 Cd 0.75000000000000 0.50000000000000 0.50000000000000 112.411 > 121 129 Cd 0.25000000000000 0.00000000000000 0.83333333333333 112.411 > 121 130 Cd 0.75000000000000 0.00000000000000 0.83333333333333 112.411 > 121 131 Cd 0.25000000000000 0.50000000000000 0.83333333333333 112.411 > 121 132 Cd 0.75000000000000 0.50000000000000 0.83333333333333 112.411 > 121 133 Cd 0.00000000000000 0.25000000000000 0.16666666666667 112.411 > 121 134 Cd 0.50000000000000 0.25000000000000 0.16666666666667 112.411 > 121 135 Cd 0.00000000000000 0.75000000000000 0.16666666666667 112.411 > 121 136 Cd 0.50000000000000 0.75000000000000 0.16666666666667 112.411 > 121 137 Cd 0.00000000000000 0.25000000000000 0.50000000000000 112.411 > 121 138 Cd 0.50000000000000 0.25000000000000 0.50000000000000 112.411 > 121 139 Cd 0.00000000000000 0.75000000000000 0.50000000000000 112.411 > 121 140 Cd 0.50000000000000 0.75000000000000 0.50000000000000 112.411 > 121 141 Cd 0.00000000000000 0.25000000000000 0.83333333333333 112.411 > 121 142 Cd 0.50000000000000 0.25000000000000 0.83333333333333 112.411 > 121 143 Cd 0.00000000000000 0.75000000000000 0.83333333333333 112.411 > 121 144 Cd 0.50000000000000 0.75000000000000 0.83333333333333 112.411 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4611759 0.0000000 0.0000000 0.0000000 4.1378811 0.0000000 0.0000000 0.0000000 6.4848490 -------------------------- Born effective charges -------------------------- 1 O -4.1475223 0.0000000 0.0000000 0.0000000 -0.9440324 0.0000000 0.0000000 0.0000000 -1.3788522 2 O -0.7522466 0.0000000 0.0000000 0.0000000 -2.1881853 0.0000000 0.0000000 0.0000000 -4.0891614 3 O -4.1475223 0.0000000 0.0000000 0.0000000 -0.9440324 0.0000000 0.0000000 0.0000000 -1.3788522 4 O -0.7522466 0.0000000 0.0000000 0.0000000 -2.1881853 0.0000000 0.0000000 0.0000000 -4.0891614 5 U 6.6315287 0.0000000 0.0000000 0.0000000 3.3542195 0.0000000 0.0000000 0.0000000 8.5722533 6 Cd 3.1680090 0.0000000 0.0000000 0.0000000 2.9102158 0.0000000 0.0000000 0.0000000 2.3637740 ---------------------------------------------------------------------------- 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 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: -0.00000001 (zyz) -0.00000001 (zyz) -0.00000001 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:43:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:43:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmmm (65) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.443826394999999 -3.538931364999999 0.000000000000000 b 3.443826394999999 3.538931364999999 0.000000000000000 c 0.000000000000000 0.000000000000000 3.496080189999999 Atomic positions (fractional): 1 O 0.28461098428090 0.28461098428090 0.00000000000000 15.999 2 O 0.17751994847316 0.82248005152684 0.50000000000000 15.999 3 O 0.71538901571910 0.71538901571910 0.00000000000000 15.999 4 O 0.82248005152684 0.17751994847316 0.50000000000000 15.999 5 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 6 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.775305579999998 0.000000000000000 0.000000000000000 b 0.000000000000000 14.155725459999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.488240569999997 Atomic positions (fractional): 1 O 0.14230549214045 0.00000000000000 0.00000000000000 15.999 > 1 2 O 0.64230549214045 0.00000000000000 0.00000000000000 15.999 > 1 3 O 0.14230549214045 0.50000000000000 0.00000000000000 15.999 > 1 4 O 0.64230549214045 0.50000000000000 0.00000000000000 15.999 > 1 5 O 0.14230549214045 0.00000000000000 0.33333333333333 15.999 > 1 6 O 0.64230549214045 0.00000000000000 0.33333333333333 15.999 > 1 7 O 0.14230549214045 0.50000000000000 0.33333333333333 15.999 > 1 8 O 0.64230549214045 0.50000000000000 0.33333333333333 15.999 > 1 9 O 0.14230549214045 0.00000000000000 0.66666666666667 15.999 > 1 10 O 0.64230549214045 0.00000000000000 0.66666666666667 15.999 > 1 11 O 0.14230549214045 0.50000000000000 0.66666666666667 15.999 > 1 12 O 0.64230549214045 0.50000000000000 0.66666666666667 15.999 > 1 13 O 0.25000000000000 0.16124002576342 0.16666666666667 15.999 > 13 14 O 0.75000000000000 0.16124002576342 0.16666666666667 15.999 > 13 15 O 0.25000000000000 0.66124002576342 0.16666666666667 15.999 > 13 16 O 0.75000000000000 0.66124002576342 0.16666666666667 15.999 > 13 17 O 0.25000000000000 0.16124002576342 0.50000000000000 15.999 > 13 18 O 0.75000000000000 0.16124002576342 0.50000000000000 15.999 > 13 19 O 0.25000000000000 0.66124002576342 0.50000000000000 15.999 > 13 20 O 0.75000000000000 0.66124002576342 0.50000000000000 15.999 > 13 21 O 0.25000000000000 0.16124002576342 0.83333333333333 15.999 > 13 22 O 0.75000000000000 0.16124002576342 0.83333333333333 15.999 > 13 23 O 0.25000000000000 0.66124002576342 0.83333333333333 15.999 > 13 24 O 0.75000000000000 0.66124002576342 0.83333333333333 15.999 > 13 25 O 0.35769450785955 0.00000000000000 0.00000000000000 15.999 > 25 26 O 0.85769450785955 0.00000000000000 0.00000000000000 15.999 > 25 27 O 0.35769450785955 0.50000000000000 0.00000000000000 15.999 > 25 28 O 0.85769450785955 0.50000000000000 0.00000000000000 15.999 > 25 29 O 0.35769450785955 0.00000000000000 0.33333333333333 15.999 > 25 30 O 0.85769450785955 0.00000000000000 0.33333333333333 15.999 > 25 31 O 0.35769450785955 0.50000000000000 0.33333333333333 15.999 > 25 32 O 0.85769450785955 0.50000000000000 0.33333333333333 15.999 > 25 33 O 0.35769450785955 0.00000000000000 0.66666666666667 15.999 > 25 34 O 0.85769450785955 0.00000000000000 0.66666666666667 15.999 > 25 35 O 0.35769450785955 0.50000000000000 0.66666666666667 15.999 > 25 36 O 0.85769450785955 0.50000000000000 0.66666666666667 15.999 > 25 37 O 0.25000000000000 0.33875997423658 0.16666666666667 15.999 > 37 38 O 0.75000000000000 0.33875997423658 0.16666666666667 15.999 > 37 39 O 0.25000000000000 0.83875997423658 0.16666666666667 15.999 > 37 40 O 0.75000000000000 0.83875997423658 0.16666666666667 15.999 > 37 41 O 0.25000000000000 0.33875997423658 0.50000000000000 15.999 > 37 42 O 0.75000000000000 0.33875997423658 0.50000000000000 15.999 > 37 43 O 0.25000000000000 0.83875997423658 0.50000000000000 15.999 > 37 44 O 0.75000000000000 0.83875997423658 0.50000000000000 15.999 > 37 45 O 0.25000000000000 0.33875997423658 0.83333333333333 15.999 > 37 46 O 0.75000000000000 0.33875997423658 0.83333333333333 15.999 > 37 47 O 0.25000000000000 0.83875997423658 0.83333333333333 15.999 > 37 48 O 0.75000000000000 0.83875997423658 0.83333333333333 15.999 > 37 49 O 0.39230549214045 0.25000000000000 0.00000000000000 15.999 > 1 50 O 0.89230549214045 0.25000000000000 0.00000000000000 15.999 > 1 51 O 0.39230549214045 0.75000000000000 0.00000000000000 15.999 > 1 52 O 0.89230549214045 0.75000000000000 0.00000000000000 15.999 > 1 53 O 0.39230549214045 0.25000000000000 0.33333333333333 15.999 > 1 54 O 0.89230549214045 0.25000000000000 0.33333333333333 15.999 > 1 55 O 0.39230549214045 0.75000000000000 0.33333333333333 15.999 > 1 56 O 0.89230549214045 0.75000000000000 0.33333333333333 15.999 > 1 57 O 0.39230549214045 0.25000000000000 0.66666666666667 15.999 > 1 58 O 0.89230549214045 0.25000000000000 0.66666666666667 15.999 > 1 59 O 0.39230549214045 0.75000000000000 0.66666666666667 15.999 > 1 60 O 0.89230549214045 0.75000000000000 0.66666666666667 15.999 > 1 61 O 0.00000000000000 0.41124002576342 0.16666666666667 15.999 > 13 62 O 0.50000000000000 0.41124002576342 0.16666666666667 15.999 > 13 63 O 0.00000000000000 0.91124002576342 0.16666666666667 15.999 > 13 64 O 0.50000000000000 0.91124002576342 0.16666666666667 15.999 > 13 65 O 0.00000000000000 0.41124002576342 0.50000000000000 15.999 > 13 66 O 0.50000000000000 0.41124002576342 0.50000000000000 15.999 > 13 67 O 0.00000000000000 0.91124002576342 0.50000000000000 15.999 > 13 68 O 0.50000000000000 0.91124002576342 0.50000000000000 15.999 > 13 69 O 0.00000000000000 0.41124002576342 0.83333333333333 15.999 > 13 70 O 0.50000000000000 0.41124002576342 0.83333333333333 15.999 > 13 71 O 0.00000000000000 0.91124002576342 0.83333333333333 15.999 > 13 72 O 0.50000000000000 0.91124002576342 0.83333333333333 15.999 > 13 73 O 0.10769450785955 0.25000000000000 0.00000000000000 15.999 > 25 74 O 0.60769450785955 0.25000000000000 0.00000000000000 15.999 > 25 75 O 0.10769450785955 0.75000000000000 0.00000000000000 15.999 > 25 76 O 0.60769450785955 0.75000000000000 0.00000000000000 15.999 > 25 77 O 0.10769450785955 0.25000000000000 0.33333333333333 15.999 > 25 78 O 0.60769450785955 0.25000000000000 0.33333333333333 15.999 > 25 79 O 0.10769450785955 0.75000000000000 0.33333333333333 15.999 > 25 80 O 0.60769450785955 0.75000000000000 0.33333333333333 15.999 > 25 81 O 0.10769450785955 0.25000000000000 0.66666666666667 15.999 > 25 82 O 0.60769450785955 0.25000000000000 0.66666666666667 15.999 > 25 83 O 0.10769450785955 0.75000000000000 0.66666666666667 15.999 > 25 84 O 0.60769450785955 0.75000000000000 0.66666666666667 15.999 > 25 85 O 0.00000000000000 0.08875997423658 0.16666666666667 15.999 > 37 86 O 0.50000000000000 0.08875997423658 0.16666666666667 15.999 > 37 87 O 0.00000000000000 0.58875997423658 0.16666666666667 15.999 > 37 88 O 0.50000000000000 0.58875997423658 0.16666666666667 15.999 > 37 89 O 0.00000000000000 0.08875997423658 0.50000000000000 15.999 > 37 90 O 0.50000000000000 0.08875997423658 0.50000000000000 15.999 > 37 91 O 0.00000000000000 0.58875997423658 0.50000000000000 15.999 > 37 92 O 0.50000000000000 0.58875997423658 0.50000000000000 15.999 > 37 93 O 0.00000000000000 0.08875997423658 0.83333333333333 15.999 > 37 94 O 0.50000000000000 0.08875997423658 0.83333333333333 15.999 > 37 95 O 0.00000000000000 0.58875997423658 0.83333333333333 15.999 > 37 96 O 0.50000000000000 0.58875997423658 0.83333333333333 15.999 > 37 97 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 97 98 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 > 97 99 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 > 97 100 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 > 97 101 U 0.00000000000000 0.00000000000000 0.33333333333333 238.029 > 97 102 U 0.50000000000000 0.00000000000000 0.33333333333333 238.029 > 97 103 U 0.00000000000000 0.50000000000000 0.33333333333333 238.029 > 97 104 U 0.50000000000000 0.50000000000000 0.33333333333333 238.029 > 97 105 U 0.00000000000000 0.00000000000000 0.66666666666667 238.029 > 97 106 U 0.50000000000000 0.00000000000000 0.66666666666667 238.029 > 97 107 U 0.00000000000000 0.50000000000000 0.66666666666667 238.029 > 97 108 U 0.50000000000000 0.50000000000000 0.66666666666667 238.029 > 97 109 U 0.25000000000000 0.25000000000000 0.00000000000000 238.029 > 97 110 U 0.75000000000000 0.25000000000000 0.00000000000000 238.029 > 97 111 U 0.25000000000000 0.75000000000000 0.00000000000000 238.029 > 97 112 U 0.75000000000000 0.75000000000000 0.00000000000000 238.029 > 97 113 U 0.25000000000000 0.25000000000000 0.33333333333333 238.029 > 97 114 U 0.75000000000000 0.25000000000000 0.33333333333333 238.029 > 97 115 U 0.25000000000000 0.75000000000000 0.33333333333333 238.029 > 97 116 U 0.75000000000000 0.75000000000000 0.33333333333333 238.029 > 97 117 U 0.25000000000000 0.25000000000000 0.66666666666667 238.029 > 97 118 U 0.75000000000000 0.25000000000000 0.66666666666667 238.029 > 97 119 U 0.25000000000000 0.75000000000000 0.66666666666667 238.029 > 97 120 U 0.75000000000000 0.75000000000000 0.66666666666667 238.029 > 97 121 Cd 0.25000000000000 0.00000000000000 0.16666666666667 112.411 > 121 122 Cd 0.75000000000000 0.00000000000000 0.16666666666667 112.411 > 121 123 Cd 0.25000000000000 0.50000000000000 0.16666666666667 112.411 > 121 124 Cd 0.75000000000000 0.50000000000000 0.16666666666667 112.411 > 121 125 Cd 0.25000000000000 0.00000000000000 0.50000000000000 112.411 > 121 126 Cd 0.75000000000000 0.00000000000000 0.50000000000000 112.411 > 121 127 Cd 0.25000000000000 0.50000000000000 0.50000000000000 112.411 > 121 128 Cd 0.75000000000000 0.50000000000000 0.50000000000000 112.411 > 121 129 Cd 0.25000000000000 0.00000000000000 0.83333333333333 112.411 > 121 130 Cd 0.75000000000000 0.00000000000000 0.83333333333333 112.411 > 121 131 Cd 0.25000000000000 0.50000000000000 0.83333333333333 112.411 > 121 132 Cd 0.75000000000000 0.50000000000000 0.83333333333333 112.411 > 121 133 Cd 0.00000000000000 0.25000000000000 0.16666666666667 112.411 > 121 134 Cd 0.50000000000000 0.25000000000000 0.16666666666667 112.411 > 121 135 Cd 0.00000000000000 0.75000000000000 0.16666666666667 112.411 > 121 136 Cd 0.50000000000000 0.75000000000000 0.16666666666667 112.411 > 121 137 Cd 0.00000000000000 0.25000000000000 0.50000000000000 112.411 > 121 138 Cd 0.50000000000000 0.25000000000000 0.50000000000000 112.411 > 121 139 Cd 0.00000000000000 0.75000000000000 0.50000000000000 112.411 > 121 140 Cd 0.50000000000000 0.75000000000000 0.50000000000000 112.411 > 121 141 Cd 0.00000000000000 0.25000000000000 0.83333333333333 112.411 > 121 142 Cd 0.50000000000000 0.25000000000000 0.83333333333333 112.411 > 121 143 Cd 0.00000000000000 0.75000000000000 0.83333333333333 112.411 > 121 144 Cd 0.50000000000000 0.75000000000000 0.83333333333333 112.411 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.4611759 0.0000000 0.0000000 0.0000000 4.1378811 0.0000000 0.0000000 0.0000000 6.4848490 -------------------------- Born effective charges -------------------------- 1 O -4.1475223 0.0000000 0.0000000 0.0000000 -0.9440324 0.0000000 0.0000000 0.0000000 -1.3788522 2 O -0.7522466 0.0000000 0.0000000 0.0000000 -2.1881853 0.0000000 0.0000000 0.0000000 -4.0891614 3 O -4.1475223 0.0000000 0.0000000 0.0000000 -0.9440324 0.0000000 0.0000000 0.0000000 -1.3788522 4 O -0.7522466 0.0000000 0.0000000 0.0000000 -2.1881853 0.0000000 0.0000000 0.0000000 -4.0891614 5 U 6.6315287 0.0000000 0.0000000 0.0000000 3.3542195 0.0000000 0.0000000 0.0000000 8.5722533 6 Cd 3.1680090 0.0000000 0.0000000 0.0000000 2.9102158 0.0000000 0.0000000 0.0000000 2.3637740 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zyz) -0.00000001 (zyz) -0.00000001 (zzy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 14 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.94, Number of G-points: 307, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/248) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.527 ( 0.000 0.000 0.000) 0.000 3.288 ( 0.000 0.000 0.000) 0.000 4.281 ( 0.000 0.000 0.000) 0.000 4.547 ( 0.000 0.000 0.000) 0.000 6.072 ( 0.000 0.000 0.000) 0.000 7.663 ( 0.000 0.000 0.000) 0.000 8.477 ( 0.000 0.000 0.000) 0.000 8.686 ( 0.000 0.000 0.000) 0.000 9.134 ( 0.000 0.000 0.000) 0.000 10.024 ( 0.000 0.000 0.000) 0.000 12.107 ( 0.000 0.000 0.000) 0.000 14.211 ( 0.000 0.000 0.000) 0.000 14.977 ( 0.000 0.000 0.000) 0.000 18.118 ( 0.000 0.000 0.000) 0.000 21.375 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/248) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( 22.385 -9.898 0.000) 24.476 0.572 ( 12.172 -27.983 0.000) 30.516 0.850 ( 41.611 -16.384 0.000) 44.720 2.623 ( 7.853 -5.071 0.000) 9.348 3.247 ( -4.812 0.814 0.000) 4.880 4.391 ( 5.926 12.229 0.000) 13.589 5.083 ( 4.715 10.787 0.000) 11.773 6.492 ( -34.947 -31.146 0.000) 46.812 7.663 ( 0.516 0.499 0.000) 0.718 8.586 ( 6.750 7.054 0.000) 9.763 8.721 ( 4.652 -0.097 0.000) 4.653 9.117 ( -3.161 -0.885 0.000) 3.282 10.042 ( 0.078 -2.520 0.000) 2.521 12.080 ( -2.272 1.433 0.000) 2.686 14.538 ( -39.062 -18.630 0.000) 43.277 15.208 ( -15.902 -38.654 0.000) 41.797 21.303 ( 6.124 14.784 0.000) 16.002 21.966 ( 132.688 128.435 0.000) 184.666 ======================= Grid point 2 (3/248) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 21.339 -9.190 0.000) 23.234 1.141 ( 11.688 -27.677 0.000) 30.044 1.656 ( 38.644 -14.756 0.000) 41.365 2.871 ( 12.425 -7.833 0.000) 14.688 3.129 ( -8.812 1.679 0.000) 8.970 4.272 ( -0.710 9.569 0.000) 9.595 4.963 ( -1.218 9.536 0.000) 9.613 6.399 ( -18.896 -11.434 0.000) 22.086 7.663 ( 0.766 0.851 0.000) 1.145 8.593 ( 6.968 5.625 0.000) 8.955 8.815 ( 7.538 -0.131 0.000) 7.539 9.072 ( -5.564 -1.965 0.000) 5.901 10.096 ( 0.440 -4.394 0.000) 4.416 12.005 ( -4.010 2.563 0.000) 4.759 14.213 ( -19.497 3.984 0.000) 19.900 15.542 ( -6.309 -30.875 0.000) 31.513 21.175 ( 2.988 11.944 0.000) 12.312 22.067 ( 57.325 53.644 0.000) 78.510 ======================= Grid point 3 (4/248) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 19.169 -7.888 0.000) 20.728 1.678 ( 9.751 -25.409 0.000) 27.216 2.372 ( 33.372 -11.767 0.000) 35.385 2.952 ( -11.222 2.495 0.000) 11.496 3.164 ( 12.267 -6.732 0.000) 13.993 4.113 ( -3.544 8.150 0.000) 8.887 4.787 ( -4.616 8.933 0.000) 10.055 6.279 ( -12.136 -4.000 0.000) 12.778 7.661 ( 0.706 0.887 0.000) 1.134 8.636 ( 8.711 4.314 0.000) 9.721 8.929 ( 7.478 -0.067 0.000) 7.479 9.013 ( -7.313 -2.791 0.000) 7.828 10.174 ( 1.017 -4.909 0.000) 5.013 11.900 ( -4.560 2.973 0.000) 5.443 13.876 ( -13.598 8.760 0.000) 16.175 15.875 ( -1.564 -23.435 0.000) 23.487 21.062 ( 0.097 7.042 0.000) 7.043 22.103 ( 29.433 30.187 0.000) 42.161 ======================= Grid point 4 (5/248) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 13.990 -5.428 0.000) 15.006 2.105 ( 5.701 -17.474 0.000) 18.380 2.752 ( -10.152 2.603 0.000) 10.481 2.929 ( 23.469 -7.167 0.000) 24.539 3.375 ( 7.579 -1.789 0.000) 7.787 3.956 ( -5.249 4.224 0.000) 6.737 4.598 ( -5.212 6.432 0.000) 8.279 6.176 ( -6.173 -0.831 0.000) 6.228 7.659 ( 0.416 0.560 0.000) 0.697 8.721 ( 9.728 3.100 0.000) 10.210 8.937 ( -8.592 -2.904 0.000) 9.070 9.020 ( 4.550 0.004 0.000) 4.550 10.252 ( 1.067 -3.390 0.000) 3.554 11.803 ( -3.206 2.134 0.000) 3.852 13.605 ( -7.718 6.493 0.000) 10.086 16.130 ( 0.090 -13.081 0.000) 13.081 20.984 ( -0.734 3.202 0.000) 3.285 22.084 ( 12.690 14.975 0.000) 19.629 ======================= Grid point 5 (6/248) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 0.000 -0.000 0.000) 0.000 2.281 ( 0.000 -0.000 0.000) 0.000 2.642 ( 0.000 -0.000 0.000) 0.000 3.176 ( 0.000 -0.000 0.000) 0.000 3.436 ( -0.000 -0.000 0.000) 0.000 3.876 ( -0.000 -0.000 0.000) 0.000 4.504 ( -0.000 -0.000 0.000) 0.000 6.136 ( 0.000 -0.000 0.000) 0.000 7.658 ( 0.000 -0.000 0.000) 0.000 8.800 ( 0.000 -0.000 0.000) 0.000 8.867 ( -0.000 -0.000 0.000) 0.000 9.053 ( 0.000 -0.000 0.000) 0.000 10.286 ( -0.000 -0.000 0.000) 0.000 11.763 ( 0.000 -0.000 0.000) 0.000 13.499 ( 0.000 -0.000 0.000) 0.000 16.226 ( 0.000 -0.000 0.000) 0.000 20.955 ( 0.000 -0.000 0.000) 0.000 22.067 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/248) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( 12.558 0.000 0.000) 12.558 0.779 ( 26.055 0.000 0.000) 26.055 1.505 ( 48.879 0.000 0.000) 48.879 2.748 ( 13.950 0.000 0.000) 13.950 3.154 ( -8.649 -0.000 0.000) 8.649 4.554 ( 0.322 0.000 0.000) 0.322 5.070 ( -13.663 -0.000 0.000) 13.663 6.069 ( 0.014 0.000 0.000) 0.014 7.679 ( 1.110 0.000 0.000) 1.110 8.679 ( 2.877 0.000 0.000) 2.877 8.813 ( 7.621 0.000 0.000) 7.621 9.031 ( -7.001 -0.000 0.000) 7.001 10.028 ( 0.544 0.000 0.000) 0.544 12.042 ( -4.275 -0.000 0.000) 4.275 14.269 ( 3.791 0.000 0.000) 3.791 15.007 ( 2.760 0.000 0.000) 2.760 21.265 ( -7.473 -0.000 0.000) 7.473 23.474 ( -3.507 -0.000 0.000) 3.507 ======================= Grid point 13 (8/248) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 8.665 -29.637 0.000) 30.878 1.171 ( 23.693 -3.451 0.000) 23.943 2.191 ( 42.187 -2.469 0.000) 42.259 3.003 ( -10.640 0.922 0.000) 10.680 3.003 ( 16.193 -3.530 0.000) 16.573 4.435 ( -1.654 13.078 0.000) 13.182 4.881 ( -14.974 -3.578 0.000) 15.396 6.115 ( -2.689 -5.381 0.000) 6.015 7.692 ( 1.476 0.854 0.000) 1.705 8.718 ( 4.386 1.567 0.000) 4.657 8.925 ( -9.651 -2.409 0.000) 9.947 8.928 ( 7.634 -0.019 0.000) 7.634 10.061 ( 1.715 -2.403 0.000) 2.952 11.961 ( -5.484 1.157 0.000) 5.604 14.227 ( 1.211 12.632 0.000) 12.690 15.221 ( 6.298 -18.597 0.000) 19.634 21.131 ( -10.115 0.359 0.000) 10.122 23.166 ( 3.989 31.058 0.000) 31.313 ======================= Grid point 14 (9/248) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 6.902 -31.575 0.000) 32.321 1.543 ( 19.371 -4.050 0.000) 19.789 2.766 ( 29.908 -3.194 0.000) 30.078 2.819 ( -10.875 1.887 0.000) 11.037 3.292 ( 14.945 -3.714 0.000) 15.399 4.194 ( -6.172 11.366 0.000) 12.934 4.717 ( -11.730 -0.190 0.000) 11.731 6.131 ( -1.894 -2.137 0.000) 2.855 7.696 ( 1.509 1.646 0.000) 2.233 8.754 ( -0.171 -0.334 0.000) 0.376 8.837 ( -5.778 -3.144 0.000) 6.578 9.020 ( 4.567 -0.001 0.000) 4.567 10.142 ( 3.196 -3.646 0.000) 4.849 11.860 ( -5.307 1.609 0.000) 5.545 14.008 ( 1.909 19.263 0.000) 19.357 15.624 ( 8.848 -20.509 0.000) 22.337 20.981 ( -11.062 -1.421 0.000) 11.152 22.796 ( 2.796 28.464 0.000) 28.601 ======================= Grid point 15 (10/248) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 9.611 -1.892 0.000) 9.795 1.864 ( 5.940 -26.370 0.000) 27.031 2.667 ( -4.866 1.463 0.000) 5.081 3.072 ( 3.501 -2.122 0.000) 4.094 3.503 ( 9.353 0.217 0.000) 9.356 4.000 ( 0.563 7.143 0.000) 7.166 4.553 ( -8.049 2.265 0.000) 8.362 6.138 ( 1.586 0.118 0.000) 1.590 7.690 ( 1.256 2.013 0.000) 2.373 8.685 ( -12.645 -5.686 0.000) 13.864 8.879 ( 5.469 -0.289 0.000) 5.477 9.053 ( -0.102 -0.039 0.000) 0.109 10.241 ( 3.560 -2.744 0.000) 4.494 11.776 ( -3.302 0.823 0.000) 3.403 13.792 ( 6.713 18.683 0.000) 19.852 16.013 ( 10.203 -13.846 0.000) 17.199 20.859 ( -11.607 -4.712 0.000) 12.527 22.438 ( -3.296 21.598 0.000) 21.848 ======================= Grid point 16 (11/248) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -6.436 3.705 0.000) 7.426 2.218 ( 2.697 -11.263 0.000) 11.581 2.690 ( 7.629 -1.551 0.000) 7.785 2.926 ( -23.826 -3.842 0.000) 24.134 3.534 ( 2.193 7.309 0.000) 7.631 4.000 ( 8.004 6.129 0.000) 10.081 4.460 ( -3.273 -2.300 0.000) 4.001 6.191 ( 6.853 0.569 0.000) 6.877 7.678 ( 0.839 1.850 0.000) 2.032 8.575 ( -14.392 -6.767 0.000) 15.904 8.968 ( 5.391 -0.613 0.000) 5.426 9.019 ( -4.483 -0.040 0.000) 4.483 10.305 ( 2.244 0.177 0.000) 2.251 11.753 ( -0.014 -1.227 0.000) 1.227 13.711 ( 14.186 13.325 0.000) 19.463 16.285 ( 10.942 -2.304 0.000) 11.182 20.771 ( -14.527 -9.198 0.000) 17.194 22.100 ( -9.371 12.850 0.000) 15.904 ======================= Grid point 17 (12/248) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -13.629 8.098 0.000) 15.854 2.108 ( -21.482 7.909 0.000) 22.892 2.681 ( -13.606 0.077 0.000) 13.606 2.873 ( 11.323 -2.854 0.000) 11.677 3.382 ( -3.929 10.788 0.000) 11.481 4.011 ( 3.479 2.146 0.000) 4.088 4.515 ( -1.258 -8.214 0.000) 8.309 6.328 ( 12.792 0.324 0.000) 12.797 7.664 ( 0.392 1.289 0.000) 1.347 8.466 ( -14.266 -7.595 0.000) 16.162 8.931 ( -7.202 0.088 0.000) 7.202 9.045 ( 3.864 -0.631 0.000) 3.915 10.299 ( 0.729 3.378 0.000) 3.456 11.807 ( 2.580 -3.303 0.000) 4.191 13.835 ( 21.622 6.300 0.000) 22.522 16.393 ( 13.284 11.528 0.000) 17.589 20.668 ( -25.780 -15.927 0.000) 30.303 21.811 ( -12.737 5.097 0.000) 13.719 ======================= Grid point 18 (13/248) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -14.671 11.357 0.000) 18.553 1.545 ( -36.588 7.881 0.000) 37.427 2.372 ( -6.188 24.696 0.000) 25.460 3.065 ( 9.187 -2.686 0.000) 9.572 3.143 ( -7.530 11.107 0.000) 13.419 4.093 ( 5.475 -4.445 0.000) 7.052 4.616 ( -5.303 -12.267 0.000) 13.364 6.545 ( 17.757 0.705 0.000) 17.771 7.654 ( 0.022 0.569 0.000) 0.570 8.383 ( -12.968 -8.906 0.000) 15.731 8.820 ( -7.297 0.248 0.000) 7.301 9.097 ( 2.329 -0.498 0.000) 2.382 10.241 ( 0.101 5.236 0.000) 5.237 11.906 ( 3.144 -4.189 0.000) 5.238 14.141 ( 26.417 0.611 0.000) 26.424 16.380 ( 22.824 25.006 0.000) 33.856 20.400 ( -55.734 -26.230 0.000) 61.597 21.593 ( -9.610 2.526 0.000) 9.936 ======================= Grid point 19 (14/248) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -11.790 14.648 0.000) 18.803 0.881 ( -38.353 7.616 0.000) 39.102 1.846 ( -3.997 37.390 0.000) 37.603 2.871 ( -6.310 11.795 0.000) 13.377 3.204 ( 4.985 -2.138 0.000) 5.424 4.246 ( 6.689 -2.208 0.000) 7.044 4.712 ( -8.118 -15.867 0.000) 17.823 6.815 ( 20.330 0.585 0.000) 20.339 7.649 ( -0.159 -0.081 0.000) 0.179 8.344 ( -10.681 -9.800 0.000) 14.496 8.727 ( -4.572 0.292 0.000) 4.581 9.128 ( 1.055 -0.384 0.000) 1.122 10.164 ( 0.006 5.502 0.000) 5.502 12.003 ( 2.019 -3.877 0.000) 4.372 14.547 ( 23.654 -4.337 0.000) 24.048 16.473 ( 57.764 36.402 0.000) 68.277 19.650 (-111.193 -32.392 0.000) 115.815 21.465 ( -2.866 3.047 0.000) 4.183 ======================= Grid point 20 (15/248) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.348 ( 0.000 12.042 0.000) 12.042 0.513 ( 0.000 17.651 0.000) 17.651 1.243 ( 0.000 42.448 0.000) 42.448 2.666 ( 0.000 9.425 0.000) 9.425 3.266 ( -0.000 -1.505 0.000) 1.505 4.297 ( 0.000 1.096 0.000) 1.096 4.854 ( -0.000 -13.265 0.000) 13.265 7.050 ( -0.000 -3.649 0.000) 3.649 7.652 ( -0.000 -0.489 0.000) 0.489 8.367 ( -0.000 -7.300 0.000) 7.300 8.689 ( 0.000 0.215 0.000) 0.215 9.138 ( -0.000 -0.011 0.000) 0.011 10.092 ( 0.000 4.488 0.000) 4.488 12.066 ( -0.000 -2.827 0.000) 2.827 14.837 ( -0.000 -7.817 0.000) 7.817 17.241 ( 0.000 17.014 0.000) 17.014 18.140 ( 0.000 1.536 0.000) 1.536 21.409 ( 0.000 2.360 0.000) 2.360 ======================= Grid point 23 (16/248) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 12.175 0.000 0.000) 12.175 1.482 ( 21.441 0.000 0.000) 21.441 2.726 ( 32.214 0.000 0.000) 32.214 2.848 ( -10.950 -0.000 0.000) 10.950 3.230 ( 17.335 0.000 0.000) 17.335 4.523 ( -22.058 -0.000 0.000) 22.058 4.554 ( -0.436 -0.000 0.000) 0.436 6.093 ( 2.148 0.000 0.000) 2.148 7.725 ( 1.952 0.000 0.000) 1.952 8.741 ( -12.691 -0.000 0.000) 12.691 8.792 ( 4.482 0.000 0.000) 4.482 9.020 ( 4.549 0.000 0.000) 4.549 10.084 ( 3.873 0.000 0.000) 3.873 11.884 ( -5.976 -0.000 0.000) 5.976 14.413 ( 5.726 0.000 0.000) 5.726 15.209 ( 12.750 0.000 0.000) 12.750 20.957 ( -13.348 -0.000 0.000) 13.348 23.277 ( -10.883 -0.000 0.000) 10.883 ======================= Grid point 24 (17/248) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 9.989 -22.609 0.000) 24.717 1.762 ( 14.708 -1.084 0.000) 14.748 2.704 ( -6.950 0.813 0.000) 6.997 3.057 ( 9.948 0.151 0.000) 9.949 3.476 ( 14.403 -0.993 0.000) 14.437 4.193 ( -10.525 5.311 0.000) 11.789 4.561 ( -4.169 -1.626 0.000) 4.475 6.140 ( 4.124 0.040 0.000) 4.124 7.745 ( 2.045 1.313 0.000) 2.430 8.558 ( -14.628 -2.520 0.000) 14.844 8.860 ( 4.187 -0.642 0.000) 4.236 9.052 ( -0.229 -0.037 0.000) 0.231 10.168 ( 5.564 -1.717 0.000) 5.823 11.797 ( -5.096 0.475 0.000) 5.118 14.363 ( 7.197 16.871 0.000) 18.342 15.566 ( 18.757 -14.002 0.000) 23.407 20.760 ( -15.257 -1.875 0.000) 15.372 22.990 ( -13.826 12.673 0.000) 18.755 ======================= Grid point 25 (18/248) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 8.421 -27.813 0.000) 29.060 1.886 ( 0.993 1.170 0.000) 1.534 2.668 ( 3.931 -0.131 0.000) 3.933 2.932 ( -22.900 2.383 0.000) 23.024 3.646 ( 8.936 1.472 0.000) 9.056 4.138 ( 7.644 2.051 0.000) 7.915 4.482 ( -5.064 2.773 0.000) 5.773 6.215 ( 7.362 0.934 0.000) 7.421 7.746 ( 1.792 2.458 0.000) 3.042 8.390 ( -16.137 -5.297 0.000) 16.984 8.930 ( 3.316 -1.528 0.000) 3.651 9.017 ( -4.444 -0.091 0.000) 4.445 10.275 ( 5.203 -1.658 0.000) 5.461 11.735 ( -2.817 -0.204 0.000) 2.824 14.228 ( 11.740 19.851 0.000) 23.063 16.059 ( 22.433 -11.536 0.000) 25.225 20.567 ( -18.286 -4.865 0.000) 18.922 22.564 ( -15.639 16.020 0.000) 22.388 ======================= Grid point 26 (19/248) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -8.656 5.381 0.000) 10.192 2.053 ( 5.079 -19.863 0.000) 20.502 2.459 ( -33.969 -1.627 0.000) 34.008 2.803 ( 10.692 -1.928 0.000) 10.864 3.674 ( 2.499 7.009 0.000) 7.441 4.206 ( 5.617 7.663 0.000) 9.501 4.377 ( -3.759 -0.678 0.000) 3.820 6.339 ( 11.723 0.759 0.000) 11.747 7.729 ( 1.335 2.990 0.000) 3.274 8.240 ( -16.935 -7.537 0.000) 18.537 8.933 ( -6.879 0.019 0.000) 6.879 8.996 ( 1.929 -2.298 0.000) 3.001 10.349 ( 3.234 0.249 0.000) 3.244 11.729 ( -0.041 -2.023 0.000) 2.023 14.180 ( 17.376 16.062 0.000) 23.663 16.511 ( 25.911 -2.108 0.000) 25.997 20.337 ( -27.124 -7.608 0.000) 28.171 22.123 ( -14.244 14.156 0.000) 20.082 ======================= Grid point 27 (20/248) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 416 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -10.100 9.168 0.000) 13.640 1.743 ( -37.988 6.280 0.000) 38.504 2.543 ( 5.390 -14.744 0.000) 15.698 2.988 ( 9.483 -2.586 0.000) 9.829 3.519 ( -3.052 13.526 0.000) 13.866 4.090 ( -1.851 6.944 0.000) 7.187 4.396 ( -1.205 -3.458 0.000) 3.662 6.534 ( 15.057 -0.485 0.000) 15.065 7.703 ( 0.808 2.819 0.000) 2.933 8.116 ( -16.307 -9.383 0.000) 18.814 8.828 ( -6.928 0.264 0.000) 6.933 9.049 ( 0.681 -2.564 0.000) 2.653 10.360 ( 1.352 2.804 0.000) 3.113 11.786 ( 1.615 -3.946 0.000) 4.264 14.283 ( 20.496 8.860 0.000) 22.329 16.875 ( 32.961 10.012 0.000) 34.449 19.937 ( -45.827 -8.601 0.000) 46.627 21.786 ( -8.147 9.931 0.000) 12.845 ======================= Grid point 28 (21/248) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -33.898 7.739 0.000) 34.770 1.240 ( -7.252 12.642 0.000) 14.574 2.643 ( 2.921 12.429 0.000) 12.768 3.134 ( 5.231 -2.632 0.000) 5.856 3.254 ( -3.619 15.020 0.000) 15.450 4.079 ( 2.009 -7.871 0.000) 8.123 4.401 ( -4.679 -2.913 0.000) 5.511 6.769 ( 13.485 -2.211 0.000) 13.665 7.676 ( 0.303 2.097 0.000) 2.119 8.046 ( -12.168 -10.814 0.000) 16.279 8.737 ( -4.392 0.436 0.000) 4.413 9.089 ( 0.086 -2.298 0.000) 2.300 10.317 ( 0.361 4.733 0.000) 4.746 11.874 ( 1.458 -4.913 0.000) 5.124 14.491 ( 16.094 1.102 0.000) 16.132 17.250 ( 50.927 19.397 0.000) 54.496 19.201 ( -70.190 -5.187 0.000) 70.382 21.600 ( -2.352 6.493 0.000) 6.906 ======================= Grid point 29 (22/248) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 0.000 10.616 0.000) 10.616 0.982 ( 0.000 15.285 0.000) 15.285 2.323 ( 0.000 31.482 0.000) 31.482 3.016 ( 0.000 14.450 0.000) 14.450 3.209 ( -0.000 -2.446 0.000) 2.446 4.338 ( 0.000 1.660 0.000) 1.660 4.350 ( -0.000 -20.248 0.000) 20.248 6.931 ( -0.000 -4.136 0.000) 4.136 7.655 ( 0.000 1.039 0.000) 1.039 8.102 ( -0.000 -10.816 0.000) 10.816 8.698 ( 0.000 0.425 0.000) 0.425 9.117 ( -0.000 -1.606 0.000) 1.606 10.245 ( 0.000 5.628 0.000) 5.628 11.955 ( -0.000 -4.780 0.000) 4.780 14.649 ( -0.000 -4.257 0.000) 4.257 17.793 ( 0.000 20.107 0.000) 20.107 18.200 ( 0.000 2.555 0.000) 2.555 21.508 ( 0.000 4.720 0.000) 4.720 ======================= Grid point 34 (23/248) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 10.800 0.000 0.000) 10.800 1.900 ( 4.049 0.000 0.000) 4.049 2.669 ( 2.251 0.000 0.000) 2.251 2.975 ( -21.492 -0.000 0.000) 21.492 3.662 ( 11.389 0.000 0.000) 11.389 4.156 ( 3.475 0.000 0.000) 3.475 4.530 ( -1.073 -0.000 0.000) 1.073 6.230 ( 7.860 0.000 0.000) 7.860 7.786 ( 2.142 0.000 0.000) 2.142 8.312 ( -16.501 -0.000 0.000) 16.501 8.905 ( 2.745 0.000 0.000) 2.745 9.015 ( -4.444 -0.000 0.000) 4.444 10.246 ( 6.320 0.000 0.000) 6.320 11.734 ( -3.843 -0.000 0.000) 3.843 14.581 ( 5.521 0.000 0.000) 5.521 15.831 ( 31.015 0.000 0.000) 31.015 20.498 ( -18.852 -0.000 0.000) 18.852 22.819 ( -20.065 -0.000 0.000) 20.065 ======================= Grid point 35 (24/248) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 9.027 -19.568 0.000) 21.549 1.872 ( -5.312 1.752 0.000) 5.593 2.514 ( -37.097 1.867 0.000) 37.144 2.768 ( 9.669 -0.584 0.000) 9.687 3.785 ( 6.522 1.604 0.000) 6.716 4.258 ( 7.601 -0.501 0.000) 7.618 4.488 ( -1.601 3.711 0.000) 4.042 6.365 ( 11.296 0.699 0.000) 11.317 7.803 ( 1.832 1.670 0.000) 2.479 8.085 ( -17.452 -2.931 0.000) 17.697 8.933 ( -6.642 -0.031 0.000) 6.642 8.942 ( 1.215 -1.177 0.000) 1.692 10.336 ( 5.049 -0.599 0.000) 5.085 11.694 ( -1.874 -0.553 0.000) 1.954 14.586 ( 7.058 9.499 0.000) 11.835 16.385 ( 38.147 -4.219 0.000) 38.380 20.202 ( -25.041 -2.302 0.000) 25.147 22.462 ( -19.924 7.423 0.000) 21.261 ======================= Grid point 36 (25/248) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -7.305 4.908 0.000) 8.800 1.808 ( -0.018 -20.218 0.000) 20.218 1.925 ( -32.227 -4.227 0.000) 32.503 2.929 ( 9.477 -1.496 0.000) 9.594 3.789 ( 0.817 5.885 0.000) 5.941 4.351 ( 4.313 -0.109 0.000) 4.315 4.372 ( -2.272 8.710 0.000) 9.001 6.539 ( 13.884 0.672 0.000) 13.900 7.793 ( 1.285 2.965 0.000) 3.231 7.893 ( -17.191 -5.781 0.000) 18.137 8.834 ( -6.526 0.138 0.000) 6.527 8.975 ( 0.132 -2.269 0.000) 2.273 10.398 ( 2.873 0.211 0.000) 2.881 11.699 ( -0.066 -2.072 0.000) 2.073 14.566 ( 9.455 9.405 0.000) 13.336 17.004 ( 42.865 0.720 0.000) 42.871 19.798 ( -36.868 -2.554 0.000) 36.956 22.086 ( -13.657 9.646 0.000) 16.720 ======================= Grid point 37 (26/248) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -31.374 5.666 0.000) 31.881 1.540 ( -5.054 8.311 0.000) 9.727 2.338 ( 5.918 -27.274 0.000) 27.908 3.065 ( 5.406 -2.090 0.000) 5.796 3.646 ( -2.911 11.281 0.000) 11.650 4.187 ( -2.097 11.955 0.000) 12.138 4.389 ( 1.317 0.421 0.000) 1.382 6.733 ( 12.117 -0.218 0.000) 12.119 7.760 ( 0.633 3.482 0.000) 3.539 7.766 ( -13.126 -8.418 0.000) 15.594 8.750 ( -4.123 0.403 0.000) 4.143 9.011 ( -0.207 -2.889 0.000) 2.896 10.412 ( 1.038 1.876 0.000) 2.144 11.746 ( 0.626 -3.788 0.000) 3.839 14.596 ( 8.344 5.417 0.000) 9.948 17.610 ( 49.267 7.174 0.000) 49.787 19.171 ( -51.519 1.010 0.000) 51.529 21.821 ( -5.189 8.502 0.000) 9.960 ======================= Grid point 38 (27/248) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 0.000 8.037 0.000) 8.037 1.361 ( 0.000 11.257 0.000) 11.257 2.690 ( -0.000 -12.177 0.000) 12.177 3.137 ( -0.000 -2.435 0.000) 2.435 3.433 ( 0.000 14.175 0.000) 14.175 4.032 ( 0.000 4.559 0.000) 4.559 4.383 ( 0.000 1.355 0.000) 1.355 6.846 ( -0.000 -1.620 0.000) 1.620 7.717 ( 0.000 3.162 0.000) 3.162 7.794 ( -0.000 -10.348 0.000) 10.348 8.712 ( 0.000 0.522 0.000) 0.522 9.051 ( -0.000 -2.905 0.000) 2.905 10.379 ( 0.000 3.546 0.000) 3.546 11.814 ( -0.000 -4.832 0.000) 4.832 14.618 ( 0.000 1.779 0.000) 1.779 18.276 ( 0.000 2.650 0.000) 2.650 18.289 ( 0.000 13.874 0.000) 13.874 21.678 ( 0.000 7.182 0.000) 7.182 ======================= Grid point 45 (28/248) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 7.013 0.000 0.000) 7.013 1.797 ( -6.293 -0.000 0.000) 6.293 1.956 ( -40.010 -0.000 0.000) 40.010 2.907 ( 9.382 0.000 0.000) 9.382 3.871 ( 3.406 0.000 0.000) 3.406 4.347 ( 4.846 0.000 0.000) 4.846 4.505 ( -0.517 -0.000 0.000) 0.517 6.552 ( 13.549 0.000 0.000) 13.549 7.810 ( -17.300 -0.000 0.000) 17.300 7.840 ( 1.416 0.000 0.000) 1.416 8.835 ( -6.330 -0.000 0.000) 6.330 8.940 ( -0.012 -0.000 0.000) 0.012 10.396 ( 3.554 0.000 0.000) 3.554 11.670 ( -0.797 -0.000 0.000) 0.797 14.716 ( 3.483 0.000 0.000) 3.483 17.000 ( 48.065 0.000 0.000) 48.065 19.763 ( -33.975 -0.000 0.000) 33.975 22.238 ( -16.673 -0.000 0.000) 16.673 ======================= Grid point 46 (29/248) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -30.375 2.068 0.000) 30.445 1.562 ( 3.854 -20.247 0.000) 20.611 1.700 ( -4.045 2.867 0.000) 4.957 3.023 ( 5.458 -0.780 0.000) 5.513 3.871 ( 0.521 4.300 0.000) 4.332 4.395 ( 1.999 0.146 0.000) 2.004 4.462 ( -0.424 5.286 0.000) 5.303 6.742 ( 12.086 0.470 0.000) 12.095 7.599 ( -13.710 -3.084 0.000) 14.053 7.843 ( 0.750 1.804 0.000) 1.953 8.758 ( -3.881 0.160 0.000) 3.885 8.947 ( -0.306 -1.336 0.000) 1.370 10.434 ( 1.637 0.113 0.000) 1.641 11.673 ( -0.054 -1.307 0.000) 1.308 14.732 ( 2.682 3.108 0.000) 4.105 17.719 ( 50.890 1.414 0.000) 50.910 19.195 ( -44.246 0.410 0.000) 44.248 22.019 ( -8.326 4.284 0.000) 9.363 ======================= Grid point 47 (30/248) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 0.000 4.382 0.000) 4.382 1.606 ( 0.000 5.929 0.000) 5.929 1.962 ( -0.000 -29.900 0.000) 29.900 3.080 ( -0.000 -1.483 0.000) 1.483 3.773 ( 0.000 9.150 0.000) 9.150 4.342 ( 0.000 10.626 0.000) 10.626 4.407 ( 0.000 0.326 0.000) 0.326 6.837 ( 0.000 0.584 0.000) 0.584 7.552 ( -0.000 -6.261 0.000) 6.261 7.813 ( 0.000 3.090 0.000) 3.090 8.725 ( 0.000 0.370 0.000) 0.370 8.971 ( -0.000 -2.389 0.000) 2.389 10.439 ( 0.000 0.857 0.000) 0.857 11.703 ( -0.000 -2.792 0.000) 2.792 14.709 ( 0.000 3.612 0.000) 3.612 18.339 ( 0.000 1.689 0.000) 1.689 18.554 ( 0.000 5.187 0.000) 5.187 21.884 ( 0.000 6.461 0.000) 6.461 ======================= Grid point 57 (31/248) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -0.000 -0.000 0.000) 0.000 1.437 ( -0.000 -0.000 0.000) 0.000 1.691 ( -0.000 -0.000 0.000) 0.000 3.058 ( -0.000 -0.000 0.000) 0.000 3.910 ( -0.000 -0.000 0.000) 0.000 4.409 ( -0.000 -0.000 0.000) 0.000 4.498 ( -0.000 -0.000 0.000) 0.000 6.850 ( -0.000 -0.000 0.000) 0.000 7.461 ( -0.000 -0.000 0.000) 0.000 7.861 ( -0.000 -0.000 0.000) 0.000 8.731 ( -0.000 -0.000 0.000) 0.000 8.934 ( 0.000 0.000 0.000) 0.000 10.447 ( -0.000 -0.000 0.000) 0.000 11.663 ( -0.000 -0.000 0.000) 0.000 14.769 ( -0.000 -0.000 0.000) 0.000 18.364 ( -0.000 -0.000 0.000) 0.000 18.619 ( -0.000 -0.000 0.000) 0.000 21.986 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 103 (32/248) ======================= q-point: ( 0.00 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 217 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.314 ( 0.000 0.000 16.692) 16.692 0.541 ( 0.000 0.000 26.552) 26.552 1.369 ( 0.000 0.000 63.715) 63.715 2.715 ( 0.000 0.000 17.684) 17.684 3.511 ( 0.000 0.000 21.544) 21.544 4.201 ( 0.000 0.000 -7.624) 7.624 4.522 ( 0.000 0.000 -2.422) 2.422 6.033 ( 0.000 0.000 -3.439) 3.439 7.864 ( 0.000 0.000 18.787) 18.787 8.292 ( 0.000 0.000 -11.536) 11.536 8.929 ( 0.000 0.000 16.914) 16.914 9.083 ( 0.000 0.000 -4.967) 4.967 11.146 ( 0.000 0.000 0.171) 0.171 14.171 ( 0.000 0.000 -3.932) 3.932 14.966 ( 0.000 0.000 -0.995) 0.995 18.074 ( 0.000 0.000 -4.227) 4.227 18.331 ( 0.000 0.000 -4.752) 4.752 21.346 ( 0.000 0.000 -2.858) 2.858 ======================= Grid point 104 (33/248) ======================= q-point: ( 0.10 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 5.078 -25.943 7.978) 27.613 0.789 ( 24.373 -4.066 15.868) 29.366 1.585 ( 18.549 -8.926 55.478) 59.174 2.795 ( 6.585 -4.342 16.254) 18.067 3.462 ( -5.242 1.121 20.249) 20.947 4.300 ( 8.707 7.394 -9.103) 14.607 4.618 ( 6.503 -5.814 -15.442) 17.736 6.132 ( -1.608 -12.452 -9.088) 15.500 7.888 ( -0.159 -2.887 18.662) 18.885 8.306 ( 3.786 1.679 -12.819) 13.472 8.897 ( 1.786 5.645 9.355) 11.071 9.105 ( -1.771 -4.624 2.114) 5.384 10.967 ( -12.788 10.799 12.816) 21.081 13.346 ( -35.640 55.914 40.272) 77.578 15.105 ( -80.892 -56.589 10.520) 99.280 15.403 ( -41.392 8.363 54.449) 68.905 20.729 ( 134.664 53.150 -62.968) 157.874 21.346 ( 4.538 -0.692 -6.738) 8.153 ======================= Grid point 105 (34/248) ======================= q-point: ( 0.20 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 10.094 -24.069 5.035) 26.581 1.246 ( 23.211 -9.790 8.549) 26.602 2.069 ( 25.828 -11.006 40.454) 49.242 3.010 ( 10.771 -7.147 13.286) 18.536 3.337 ( -8.215 2.311 18.723) 20.576 4.232 ( 0.128 8.752 -3.830) 9.555 4.725 ( 4.200 3.124 -15.732) 16.580 6.241 ( -6.520 -9.608 -8.804) 14.572 7.916 ( -1.451 -2.073 19.855) 20.016 8.360 ( 6.468 1.299 -14.760) 16.167 8.846 ( 2.006 4.902 -0.395) 5.312 9.159 ( -0.296 -5.062 10.157) 11.352 10.598 ( -12.591 9.878 23.785) 28.668 12.400 ( -23.338 16.248 29.884) 41.252 14.424 ( -38.751 -1.650 17.801) 42.676 15.621 ( -0.481 -26.022 9.141) 27.585 21.084 ( 15.493 19.131 -10.909) 26.926 21.667 ( 50.098 27.363 -29.813) 64.400 ======================= Grid point 106 (35/248) ======================= q-point: ( 0.30 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 14.620 -17.755 8.039) 24.364 1.709 ( 15.926 -14.548 3.594) 21.868 2.561 ( 19.415 -7.648 26.050) 33.377 3.184 ( -3.838 1.819 18.044) 18.537 3.281 ( 10.419 -6.064 11.783) 16.857 4.090 ( -3.179 7.546 -1.938) 8.415 4.675 ( -1.006 6.051 -8.182) 10.226 6.220 ( -8.046 -3.515 -4.385) 9.815 7.907 ( -1.442 -0.062 20.009) 20.061 8.449 ( 6.602 -0.095 -13.969) 15.451 8.818 ( 1.120 2.506 -6.105) 6.694 9.233 ( 1.382 -4.062 15.033) 15.634 10.383 ( -4.605 3.294 14.909) 15.948 12.018 ( -12.229 5.748 10.235) 16.951 13.960 ( -20.467 7.320 7.102) 22.867 15.965 ( 0.354 -21.824 8.619) 23.467 21.006 ( 2.568 8.555 -5.530) 10.505 21.879 ( 29.759 22.885 -19.838) 42.460 ======================= Grid point 107 (36/248) ======================= q-point: ( 0.40 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 16.907 -11.394 14.585) 25.068 2.082 ( 7.424 -12.692 -1.269) 14.759 2.664 ( -8.893 2.695 11.195) 14.549 3.292 ( 16.499 -2.285 22.523) 28.013 3.476 ( 6.678 -2.251 9.844) 12.107 3.944 ( -6.018 3.185 -0.638) 6.839 4.555 ( -3.385 5.037 -2.780) 6.675 6.143 ( -5.168 -0.394 -2.696) 5.842 7.886 ( -0.723 0.451 19.053) 19.072 8.543 ( 5.003 -0.753 -13.005) 13.955 8.797 ( -0.632 1.142 -7.437) 7.550 9.301 ( 1.373 -2.240 17.836) 18.029 10.334 ( -0.283 0.128 6.845) 6.852 11.827 ( -6.432 2.631 2.160) 7.277 13.635 ( -10.353 6.118 2.689) 12.322 16.221 ( 0.668 -12.409 8.327) 14.958 20.936 ( 0.025 3.686 -4.507) 5.822 21.931 ( 13.212 12.580 -14.213) 23.126 ======================= Grid point 108 (37/248) ======================= q-point: (-0.50 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 0.000 -0.000 -3.385) 3.385 2.313 ( 0.000 -0.000 38.758) 38.758 2.449 ( -0.000 0.000 -13.245) 13.245 3.479 ( 0.000 0.000 23.231) 23.231 3.535 ( -0.000 -0.000 9.211) 9.211 3.857 ( -0.000 -0.000 -1.326) 1.326 4.484 ( -0.000 -0.000 -0.847) 0.847 6.105 ( 0.000 -0.000 -2.527) 2.527 7.877 ( 0.000 -0.000 18.553) 18.553 8.591 ( 0.000 -0.000 -13.267) 13.267 8.779 ( -0.000 -0.000 -6.893) 6.893 9.328 ( -0.000 -0.000 18.754) 18.754 10.337 ( -0.000 -0.000 4.333) 4.333 11.760 ( 0.000 -0.000 -0.194) 0.194 13.512 ( 0.000 -0.000 1.428) 1.428 16.316 ( 0.000 -0.000 8.155) 8.155 20.910 ( 0.000 -0.000 -4.276) 4.276 21.934 ( 0.000 -0.000 -12.509) 12.509 ======================= Grid point 115 (38/248) ======================= q-point: ( 0.10 0.10 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( 8.984 0.000 9.904) 13.372 1.133 ( 25.496 0.000 14.370) 29.267 1.920 ( 32.112 0.000 43.438) 54.019 2.897 ( 11.605 0.000 14.317) 18.430 3.372 ( -8.006 -0.000 19.643) 21.211 4.529 ( 0.345 0.000 -2.362) 2.387 4.609 ( 7.004 0.000 -25.257) 26.210 6.039 ( 0.505 0.000 -2.777) 2.823 7.875 ( 0.740 0.000 18.201) 18.216 8.383 ( 5.083 0.000 -15.906) 16.699 8.990 ( -6.224 -0.000 -3.835) 7.310 9.010 ( 5.467 0.000 15.604) 16.534 10.776 ( -21.032 -0.000 25.650) 33.170 12.783 ( -65.178 -0.000 54.920) 85.231 14.227 ( 3.670 0.000 -4.112) 5.512 15.255 ( -2.032 -0.000 23.919) 24.006 21.229 ( -7.336 -0.000 -3.669) 8.202 22.462 ( 48.003 0.000 -71.880) 86.435 ======================= Grid point 116 (39/248) ======================= q-point: ( 0.20 0.10 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 8.415 -24.532 3.298) 26.144 1.517 ( 24.020 -2.993 15.475) 28.730 2.406 ( 28.521 -2.757 29.737) 41.296 3.114 ( 13.791 -3.423 11.031) 17.988 3.248 ( -6.167 1.096 20.201) 21.149 4.384 ( -2.078 12.463 -5.100) 13.626 4.697 ( -5.273 -5.888 -12.561) 14.841 6.083 ( -0.751 -4.205 -2.701) 5.054 7.892 ( 0.453 -0.575 17.799) 17.814 8.452 ( 4.765 0.370 -17.846) 18.475 8.872 ( -6.239 1.220 -2.623) 6.877 9.124 ( 5.490 -2.755 14.276) 15.541 10.488 ( -12.675 2.757 26.256) 29.285 12.153 ( -23.408 3.017 16.922) 29.041 14.224 ( -1.048 8.327 -1.088) 8.463 15.384 ( 4.780 -14.972 15.209) 21.870 21.094 ( -10.041 0.544 -3.555) 10.666 22.703 ( 20.217 23.479 -39.180) 49.951 ======================= Grid point 117 (40/248) ======================= q-point: ( 0.30 0.10 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 7.498 -28.746 -0.531) 29.713 1.901 ( 21.658 -3.942 15.599) 26.980 2.677 ( 0.831 -0.455 17.755) 17.781 3.246 ( 11.520 -0.228 22.910) 25.644 3.383 ( 13.147 -4.228 9.512) 16.769 4.153 ( -7.052 10.104 -3.594) 12.835 4.641 ( -7.592 -0.622 -5.784) 9.565 6.110 ( -1.214 -1.806 -1.885) 2.879 7.897 ( -0.109 0.192 17.337) 17.339 8.509 ( 2.708 -0.639 -17.819) 18.035 8.785 ( -6.357 -1.785 -2.770) 7.160 9.236 ( 5.109 -1.808 15.501) 16.421 10.353 ( -3.033 0.854 16.314) 16.616 11.886 ( -11.208 1.443 2.504) 11.574 14.009 ( -0.190 17.726 -0.288) 17.729 15.738 ( 7.823 -19.371 10.438) 23.353 20.941 ( -11.115 -1.244 -3.699) 11.780 22.554 ( 8.503 24.839 -21.994) 34.250 ======================= Grid point 118 (41/248) ======================= q-point: ( 0.40 0.10 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 6.354 -25.604 -1.346) 26.415 2.241 ( 17.997 -2.756 15.248) 23.748 2.526 ( -14.204 2.953 11.831) 18.721 3.418 ( 2.074 -0.799 23.782) 23.885 3.587 ( 8.130 -0.982 8.974) 12.149 3.957 ( 0.432 6.258 -4.093) 7.490 4.523 ( -6.425 1.790 -1.969) 6.954 6.114 ( 1.185 0.455 -2.065) 2.424 7.888 ( -0.309 0.532 16.434) 16.446 8.540 ( -2.035 -2.444 -13.988) 14.345 8.737 ( -4.718 -2.960 -4.521) 7.173 9.314 ( 3.027 -0.636 17.429) 17.702 10.341 ( 0.967 0.036 8.459) 8.515 11.762 ( -4.517 0.142 -1.272) 4.694 13.787 ( 5.869 17.620 -0.413) 18.576 16.103 ( 8.900 -13.803 8.130) 18.326 20.815 ( -11.975 -4.576 -4.153) 13.475 22.285 ( -0.760 20.257 -14.283) 24.798 ======================= Grid point 119 (42/248) ======================= q-point: (-0.50 0.10 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -6.421 -4.375 5.612) 9.585 2.289 ( -7.007 -1.643 10.092) 12.396 2.490 ( 9.498 -4.286 6.125) 12.087 3.274 ( -16.749 -1.092 21.295) 27.115 3.623 ( 1.362 5.607 8.986) 10.679 3.989 ( 8.743 4.984 -0.444) 10.073 4.444 ( -3.184 -1.828 -0.369) 3.690 6.152 ( 5.550 0.615 -3.115) 6.394 7.880 ( -0.051 -0.028 15.899) 15.899 8.508 ( -7.394 -2.962 -6.201) 10.094 8.730 ( -2.886 -3.328 -9.479) 10.452 9.340 ( 0.594 0.607 18.592) 18.612 10.352 ( 1.098 0.982 4.142) 4.396 11.754 ( 1.423 -2.199 0.072) 2.620 13.725 ( 15.413 11.948 1.337) 19.548 16.358 ( 9.227 -2.922 6.596) 11.712 20.716 ( -15.527 -9.093 -5.232) 18.739 21.983 ( -7.755 13.016 -10.937) 18.686 ======================= Grid point 120 (43/248) ======================= q-point: (-0.40 0.10 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -19.944 7.107 8.729) 22.901 2.171 ( -10.178 11.524 10.154) 18.426 2.644 ( -3.151 -6.730 7.148) 10.311 3.142 ( -1.163 -1.383 18.822) 18.908 3.486 ( -4.197 9.535 10.193) 14.575 4.006 ( 2.846 2.538 0.013) 3.813 4.475 ( -2.381 -6.405 -2.193) 7.176 6.260 ( 9.660 0.140 -4.888) 10.827 7.892 ( 0.813 -0.993 16.276) 16.327 8.423 ( -8.994 -2.304 -2.099) 9.519 8.731 ( -3.977 -3.601 -10.467) 11.762 9.319 ( -0.900 1.816 17.431) 17.549 10.351 ( 1.283 0.948 4.300) 4.586 11.858 ( 5.431 -5.182 4.608) 8.808 13.910 ( 26.121 4.482 6.711) 27.339 16.447 ( 10.669 10.475 5.115) 15.803 20.588 ( -27.906 -15.575 -7.658) 32.863 21.708 ( -10.519 6.495 -9.369) 15.512 ======================= Grid point 121 (44/248) ======================= q-point: (-0.30 0.10 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -23.792 7.714 6.300) 25.792 1.752 ( -16.718 16.046 17.710) 29.165 2.494 ( -8.528 14.172 16.719) 23.518 3.238 ( 2.244 1.830 12.964) 13.283 3.271 ( -1.579 4.976 14.389) 15.307 4.059 ( 3.645 -3.807 -2.585) 5.870 4.518 ( -6.565 -8.436 -6.564) 12.544 6.401 ( 10.337 1.762 -8.947) 13.784 7.934 ( 2.748 -1.287 17.425) 17.687 8.320 ( -8.978 -1.721 -2.332) 9.435 8.721 ( -4.487 -4.081 -7.300) 9.491 9.272 ( -0.898 2.751 13.965) 14.262 10.391 ( 3.163 -3.190 10.431) 11.357 12.051 ( 7.146 -9.186 12.060) 16.760 14.353 ( 36.555 -2.689 18.649) 41.125 16.398 ( 17.967 24.106 1.995) 30.131 20.271 ( -57.495 -23.894 -12.151) 63.437 21.508 ( -6.464 4.084 -7.460) 10.682 ======================= Grid point 122 (45/248) ======================= q-point: (-0.20 0.10 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -23.459 6.996 11.101) 26.879 1.302 ( -9.991 19.116 19.780) 29.266 2.088 ( -7.155 24.278 28.459) 38.086 3.010 ( -5.765 10.282 13.187) 17.688 3.401 ( 5.295 -3.171 18.181) 19.200 4.182 ( 4.555 -2.711 -5.695) 7.780 4.527 ( -8.884 -9.546 -11.943) 17.682 6.469 ( 6.287 7.009 -16.368) 18.883 7.992 ( 4.468 2.131 19.524) 20.142 8.224 ( -7.660 -3.244 -7.097) 10.935 8.733 ( -2.593 -5.335 -1.414) 6.098 9.222 ( -0.073 3.225 9.841) 10.356 10.558 ( 4.955 -12.334 18.780) 23.008 12.344 ( 7.255 -18.907 24.050) 31.440 15.030 ( 36.377 -13.927 42.230) 57.451 16.414 ( 53.840 36.254 -5.683) 65.156 19.481 (-104.334 -26.141 -14.969) 108.596 21.404 ( -1.101 3.345 -5.256) 6.327 ======================= Grid point 123 (46/248) ======================= q-point: (-0.10 0.10 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 0.000 6.021 21.811) 22.626 0.931 ( 0.000 23.511 13.592) 27.158 1.684 ( 0.000 21.849 45.210) 50.212 2.832 ( 0.000 7.980 15.664) 17.580 3.480 ( -0.000 -2.201 20.374) 20.493 4.216 ( 0.000 1.035 -7.692) 7.761 4.566 ( -0.000 -4.980 -14.302) 15.145 6.362 ( 0.000 14.350 -19.896) 24.532 7.959 ( 0.000 5.850 18.649) 19.545 8.230 ( -0.000 -4.496 -9.982) 10.948 8.798 ( -0.000 -6.232 4.845) 7.894 9.174 ( 0.000 3.735 5.701) 6.815 10.838 ( -0.000 -18.348 16.188) 24.468 12.827 ( -0.000 -41.142 34.460) 53.667 15.442 ( -0.000 -2.875 37.762) 37.871 17.350 ( -0.000 -12.328 9.130) 15.340 18.097 ( 0.000 1.538 -4.223) 4.495 21.363 ( 0.000 1.914 -3.944) 4.384 ======================= Grid point 126 (47/248) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 10.310 0.000 3.601) 10.920 1.843 ( 23.295 0.000 17.760) 29.293 2.669 ( 5.787 0.000 18.103) 19.006 3.255 ( 8.970 0.000 23.967) 25.591 3.305 ( 14.925 0.000 7.711) 16.800 4.404 ( -17.030 -0.000 -9.418) 19.461 4.530 ( -0.443 -0.000 -2.302) 2.344 6.076 ( 2.414 0.000 -1.586) 2.888 7.899 ( 0.542 0.000 15.277) 15.286 8.511 ( 2.896 0.000 -19.566) 19.779 8.743 ( -10.197 -0.000 0.969) 10.243 9.211 ( 7.170 0.000 14.048) 15.772 10.367 ( -5.463 -0.000 21.179) 21.872 11.907 ( -13.020 -0.000 2.223) 13.208 14.366 ( 5.553 0.000 -4.535) 7.169 15.365 ( 9.703 0.000 13.869) 16.926 20.921 ( -13.468 -0.000 -3.476) 13.909 22.969 ( -0.824 -0.000 -27.518) 27.530 ======================= Grid point 127 (48/248) ======================= q-point: ( 0.30 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 8.961 -20.669 0.107) 22.528 2.177 ( 20.922 -1.336 18.760) 28.133 2.590 ( -11.819 1.265 12.972) 17.594 3.419 ( 6.690 0.383 24.587) 25.484 3.527 ( 12.428 -1.881 5.875) 13.875 4.126 ( -9.839 4.407 -5.850) 12.266 4.531 ( -3.175 -1.117 -2.596) 4.250 6.123 ( 3.710 0.141 -1.584) 4.037 7.898 ( -0.726 0.142 12.152) 12.174 8.519 ( -1.770 1.289 -14.964) 15.124 8.629 ( -7.568 -3.947 0.033) 8.535 9.303 ( 4.865 -0.157 15.856) 16.586 10.334 ( 0.196 -0.314 13.865) 13.870 11.766 ( -6.460 0.124 -2.750) 7.022 14.326 ( 6.510 15.611 -3.704) 17.315 15.667 ( 16.104 -13.177 9.067) 22.698 20.720 ( -15.576 -1.780 -3.811) 16.134 22.797 ( -8.877 11.648 -17.805) 23.054 ======================= Grid point 128 (49/248) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 7.607 -26.526 -2.669) 27.724 2.349 ( -16.258 3.121 9.211) 18.944 2.461 ( 14.539 -0.584 19.901) 24.653 3.294 ( -18.193 1.684 22.811) 29.226 3.692 ( 8.007 0.205 4.914) 9.396 4.101 ( 8.830 1.703 -2.804) 9.420 4.465 ( -4.440 2.281 -1.304) 5.159 6.181 ( 5.866 1.179 -2.707) 6.567 7.875 ( -2.410 -0.406 8.585) 8.926 8.440 ( -7.013 -0.789 1.654) 7.248 8.620 ( -3.595 -4.217 -10.830) 12.166 9.350 ( 1.619 0.214 18.423) 18.496 10.362 ( 2.245 -0.331 7.677) 8.005 11.713 ( -1.520 -0.746 -2.055) 2.663 14.199 ( 11.588 18.509 -2.706) 22.004 16.119 ( 19.935 -11.735 5.417) 23.758 20.518 ( -18.914 -4.648 -4.662) 20.027 22.436 ( -12.970 15.386 -11.968) 23.413 ======================= Grid point 129 (50/248) ======================= q-point: (-0.50 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -5.622 -7.926 2.059) 9.933 2.093 ( -6.968 -10.840 -2.141) 13.063 2.497 ( -10.655 3.675 26.018) 28.354 3.090 ( -2.647 -1.514 19.796) 20.030 3.729 ( 1.962 5.549 5.639) 8.151 4.178 ( 5.537 6.045 -2.398) 8.542 4.368 ( -4.298 -0.002 0.309) 4.309 6.271 ( 8.852 0.929 -5.013) 10.215 7.848 ( -3.500 -2.184 5.778) 7.100 8.353 ( -7.196 -1.540 11.110) 13.326 8.622 ( -4.276 -3.977 -13.239) 14.470 9.348 ( -0.826 0.551 19.446) 19.471 10.391 ( 2.085 1.035 3.725) 4.393 11.742 ( 1.995 -2.857 1.194) 3.683 14.187 ( 18.853 13.521 0.547) 23.206 16.540 ( 23.236 -2.784 2.667) 23.554 20.272 ( -28.019 -7.138 -6.210) 29.574 22.032 ( -12.451 14.021 -8.511) 20.593 ======================= Grid point 130 (51/248) ======================= q-point: (-0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -24.636 6.448 1.960) 25.541 2.110 ( -16.135 9.769 31.291) 36.536 2.466 ( 3.307 -17.123 -2.822) 17.667 3.186 ( 7.674 -1.593 16.731) 18.476 3.590 ( -3.396 11.681 7.067) 14.069 4.091 ( -0.683 7.090 0.465) 7.138 4.353 ( -3.234 -3.156 -2.535) 5.181 6.408 ( 10.176 -0.152 -8.317) 13.143 7.846 ( -3.090 -4.708 4.009) 6.913 8.273 ( -6.149 -0.819 18.188) 19.217 8.609 ( -4.825 -3.826 -12.646) 14.065 9.319 ( -1.597 0.866 18.172) 18.263 10.394 ( 1.614 1.948 2.841) 3.804 11.844 ( 3.412 -5.636 5.273) 8.438 14.374 ( 23.973 4.333 8.253) 25.721 16.872 ( 29.888 9.434 -0.208) 31.342 19.851 ( -46.256 -7.681 -8.174) 47.597 21.717 ( -6.924 10.039 -6.395) 13.770 ======================= Grid point 131 (52/248) ======================= q-point: (-0.30 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -23.087 7.058 7.176) 25.186 1.746 ( -9.847 13.202 34.234) 37.990 2.619 ( 2.056 4.942 0.566) 5.382 3.300 ( 4.601 -1.717 14.070) 14.903 3.349 ( -3.777 12.662 9.318) 16.168 4.061 ( 2.349 -3.406 0.556) 4.174 4.328 ( -5.900 -2.369 -5.633) 8.494 6.542 ( 7.000 -0.068 -12.713) 14.513 7.904 ( -0.259 -7.291 1.543) 7.457 8.194 ( -4.860 0.829 23.210) 23.727 8.602 ( -3.292 -4.027 -9.881) 11.167 9.284 ( -0.998 1.289 15.416) 15.502 10.398 ( 1.305 -0.151 5.903) 6.047 11.991 ( 2.752 -8.627 10.058) 13.533 14.728 ( 20.317 -6.671 21.368) 30.230 17.202 ( 47.673 19.851 -4.490) 51.836 19.105 ( -68.808 -4.154 -9.003) 69.518 21.542 ( -1.790 6.542 -5.293) 8.604 ======================= Grid point 132 (53/248) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 0.000 7.762 14.895) 16.796 1.467 ( 0.000 15.752 31.129) 34.887 2.405 ( 0.000 23.268 11.577) 25.989 3.134 ( 0.000 12.622 11.122) 16.823 3.387 ( -0.000 -4.139 15.776) 16.310 4.248 ( -0.000 -13.871 -4.717) 14.651 4.254 ( 0.000 1.539 -7.894) 8.042 6.583 ( 0.000 2.282 -16.783) 16.938 8.035 ( -0.000 -8.988 -5.984) 10.798 8.111 ( 0.000 4.001 26.970) 27.265 8.639 ( -0.000 -4.773 -5.481) 7.268 9.254 ( 0.000 1.914 12.398) 12.545 10.451 ( -0.000 -6.237 12.472) 13.945 12.164 ( -0.000 -12.856 16.257) 20.726 15.056 ( -0.000 -14.746 36.033) 38.933 17.667 ( 0.000 20.646 -11.905) 23.833 18.156 ( 0.000 2.557 -4.216) 4.931 21.455 ( 0.000 4.601 -4.838) 6.677 ======================= Grid point 137 (54/248) ======================= q-point: ( 0.30 0.30 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 9.327 0.000 -0.819) 9.363 2.397 ( -15.693 -0.000 10.025) 18.622 2.450 ( 16.727 0.000 20.734) 26.640 3.324 ( -18.519 -0.000 23.098) 29.605 3.688 ( 10.544 0.000 3.046) 10.976 4.116 ( 5.652 0.000 -2.926) 6.364 4.504 ( -1.245 -0.000 -2.491) 2.785 6.200 ( 6.394 0.000 -2.438) 6.843 7.866 ( -3.962 -0.000 4.554) 6.036 8.456 ( -8.127 -0.000 15.591) 17.582 8.533 ( -1.329 -0.000 -21.483) 21.524 9.353 ( 1.900 0.000 18.387) 18.485 10.353 ( 2.486 0.000 9.509) 9.828 11.704 ( -2.365 -0.000 -2.773) 3.644 14.529 ( 5.346 0.000 -5.022) 7.335 15.892 ( 27.782 0.000 5.558) 28.333 20.453 ( -19.398 -0.000 -4.347) 19.879 22.680 ( -16.760 -0.000 -13.015) 21.219 ======================= Grid point 138 (55/248) ======================= q-point: ( 0.40 0.30 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 7.759 -18.514 -3.279) 20.340 2.129 ( -19.734 1.929 2.599) 19.997 2.578 ( -3.428 1.388 31.107) 31.326 3.071 ( -7.669 -0.101 19.862) 21.291 3.810 ( 6.547 0.999 2.841) 7.206 4.223 ( 6.627 -0.362 -2.461) 7.078 4.463 ( -1.869 3.090 -2.338) 4.302 6.302 ( 8.442 0.858 -4.697) 9.699 7.788 ( -7.651 -1.428 -1.742) 7.976 8.356 ( -4.404 1.080 22.054) 22.515 8.522 ( -3.203 -2.593 -18.245) 18.705 9.358 ( -0.831 0.174 20.601) 20.618 10.398 ( 3.117 -0.211 5.657) 6.462 11.695 ( 0.318 -0.713 -0.044) 0.782 14.539 ( 7.044 8.443 -4.511) 11.885 16.403 ( 35.451 -4.352 1.627) 35.755 20.146 ( -25.732 -2.138 -5.348) 26.369 22.364 ( -17.754 7.217 -9.209) 21.263 ======================= Grid point 139 (56/248) ======================= q-point: (-0.50 0.30 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -8.395 -10.201 -1.599) 13.307 1.789 ( -11.140 -12.772 -5.802) 17.913 2.336 ( -16.122 5.165 39.934) 43.375 3.138 ( 8.978 -1.498 18.618) 20.724 3.827 ( 1.169 5.160 3.890) 6.567 4.292 ( 2.604 0.399 -5.169) 5.802 4.358 ( -2.616 6.759 -0.876) 7.300 6.421 ( 9.490 0.951 -8.274) 12.626 7.705 ( -8.707 -4.333 -3.640) 10.384 8.291 ( -2.073 1.688 27.223) 27.354 8.509 ( -3.985 -3.069 -16.007) 16.779 9.333 ( -1.836 0.276 21.037) 21.119 10.437 ( 2.372 0.663 3.457) 4.245 11.731 ( 1.557 -2.421 2.931) 4.108 14.550 ( 10.118 6.618 -1.602) 12.196 16.990 ( 40.642 0.473 -1.423) 40.670 19.729 ( -37.314 -2.194 -6.575) 37.952 22.016 ( -12.341 9.527 -6.572) 16.920 ======================= Grid point 140 (57/248) ======================= q-point: (-0.40 0.30 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -22.690 5.131 4.610) 23.715 2.056 ( -8.365 8.550 38.738) 40.542 2.222 ( 4.321 -26.398 -8.643) 28.111 3.277 ( 6.340 -1.123 19.149) 20.203 3.699 ( -2.678 10.398 5.138) 11.903 4.194 ( -1.513 10.155 1.252) 10.343 4.310 ( -0.448 -0.008 -6.840) 6.855 6.537 ( 7.034 0.290 -12.173) 14.062 7.678 ( -5.804 -7.524 -3.003) 9.966 8.242 ( -0.930 2.344 32.108) 32.207 8.500 ( -3.037 -3.203 -15.175) 15.804 9.305 ( -1.258 0.373 19.835) 19.879 10.444 ( 1.153 1.912 2.656) 3.470 11.805 ( 1.444 -4.736 5.355) 7.293 14.648 ( 9.388 0.320 4.845) 10.569 17.569 ( 47.531 7.217 -3.990) 48.241 19.095 ( -51.236 1.451 -7.276) 51.770 21.764 ( -4.659 8.527 -5.237) 11.039 ======================= Grid point 141 (58/248) ======================= q-point: (-0.30 0.30 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 0.000 6.573 10.283) 12.204 1.852 ( 0.000 11.404 37.433) 39.132 2.571 ( -0.000 -15.669 -8.560) 17.854 3.329 ( 0.000 0.396 16.555) 16.560 3.504 ( 0.000 12.834 6.693) 14.475 4.066 ( 0.000 4.589 5.279) 6.994 4.294 ( 0.000 1.141 -8.266) 8.345 6.593 ( -0.000 -0.268 -14.125) 14.127 7.760 ( -0.000 -9.695 -3.231) 10.219 8.197 ( 0.000 2.704 33.803) 33.911 8.523 ( -0.000 -3.566 -13.146) 13.621 9.289 ( 0.000 0.648 17.705) 17.717 10.423 ( 0.000 1.950 3.272) 3.809 11.899 ( -0.000 -6.910 7.638) 10.300 14.770 ( -0.000 -5.557 13.925) 14.993 18.194 ( 0.000 14.823 -9.027) 17.355 18.232 ( 0.000 2.650 -4.211) 4.975 21.624 ( 0.000 7.237 -4.946) 8.765 ======================= Grid point 148 (59/248) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 5.980 0.000 -4.221) 7.320 1.808 ( -26.253 -0.000 -1.624) 26.303 2.411 ( -15.104 -0.000 41.432) 44.099 3.115 ( 9.104 0.000 18.859) 20.941 3.898 ( 4.128 0.000 2.883) 5.035 4.287 ( 2.602 0.000 -5.039) 5.671 4.469 ( -0.957 -0.000 -3.393) 3.525 6.439 ( 9.222 0.000 -8.147) 12.305 7.639 ( -10.233 -0.000 -5.090) 11.430 8.327 ( -1.364 -0.000 31.981) 32.010 8.457 ( -3.098 -0.000 -20.492) 20.725 9.337 ( -1.941 -0.000 22.070) 22.155 10.442 ( 2.863 0.000 4.126) 5.022 11.699 ( 0.911 0.000 2.646) 2.798 14.659 ( 3.359 0.000 -5.449) 6.401 16.983 ( 46.041 0.000 -1.710) 46.072 19.699 ( -34.452 -0.000 -6.100) 34.988 22.165 ( -15.205 -0.000 -6.825) 16.667 ======================= Grid point 149 (60/248) ======================= q-point: (-0.50 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -22.275 1.769 3.257) 22.581 1.491 ( 2.983 -18.745 -6.157) 19.955 2.222 ( -7.676 3.004 41.073) 41.892 3.244 ( 6.682 -0.753 21.363) 22.396 3.910 ( 1.012 4.125 3.783) 5.688 4.306 ( 0.242 -0.250 -8.159) 8.166 4.426 ( -0.656 4.564 -3.329) 5.687 6.557 ( 6.967 0.658 -12.363) 14.207 7.523 ( -7.571 -2.958 -3.493) 8.847 8.305 ( -0.175 1.589 33.763) 33.801 8.429 ( -2.268 -1.509 -18.430) 18.630 9.310 ( -1.390 0.078 22.282) 22.325 10.473 ( 1.564 0.289 3.416) 3.768 11.721 ( 0.754 -1.355 4.453) 4.716 14.687 ( 2.721 1.342 -4.380) 5.328 17.678 ( 49.631 1.411 -3.987) 49.811 19.127 ( -44.257 0.541 -6.557) 44.743 21.962 ( -7.655 4.260 -5.307) 10.242 ======================= Grid point 150 (61/248) ======================= q-point: (-0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 0.000 3.721 7.744) 8.592 1.859 ( -0.000 -27.819 -8.574) 29.110 2.102 ( 0.000 6.104 39.705) 40.171 3.310 ( -0.000 -1.227 22.009) 22.043 3.818 ( 0.000 8.728 4.231) 9.700 4.310 ( -0.000 -0.070 -9.066) 9.067 4.324 ( 0.000 8.860 -1.405) 8.971 6.601 ( 0.000 0.798 -14.443) 14.466 7.529 ( -0.000 -6.055 -2.191) 6.439 8.275 ( 0.000 2.532 35.132) 35.223 8.438 ( -0.000 -2.323 -17.638) 17.790 9.298 ( 0.000 0.150 21.412) 21.412 10.475 ( 0.000 1.124 3.006) 3.209 11.758 ( -0.000 -3.121 5.178) 6.046 14.703 ( -0.000 -0.122 -0.557) 0.571 18.296 ( 0.000 1.689 -4.210) 4.536 18.476 ( 0.000 5.493 -7.510) 9.305 21.832 ( 0.000 6.490 -4.852) 8.103 ======================= Grid point 160 (62/248) ======================= q-point: (-0.50 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 217 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -0.000 -0.000 6.922) 6.922 1.372 ( -0.000 -0.000 -5.669) 5.669 2.189 ( -0.000 -0.000 40.375) 40.375 3.290 ( -0.000 -0.000 22.899) 22.899 3.952 ( -0.000 -0.000 4.110) 4.110 4.303 ( -0.000 -0.000 -10.071) 10.071 4.455 ( -0.000 -0.000 -4.189) 4.189 6.617 ( -0.000 -0.000 -14.738) 14.738 7.441 ( -0.000 -0.000 -1.930) 1.930 8.316 ( -0.000 -0.000 35.309) 35.309 8.403 ( -0.000 -0.000 -19.141) 19.141 9.300 ( -0.000 -0.000 22.731) 22.731 10.487 ( -0.000 -0.000 3.430) 3.430 11.716 ( -0.000 -0.000 5.057) 5.057 14.710 ( -0.000 -0.000 -5.633) 5.633 18.321 ( -0.000 -0.000 -4.210) 4.210 18.545 ( -0.000 -0.000 -7.133) 7.133 21.934 ( -0.000 -0.000 -4.854) 4.854 ======================= Grid point 206 (63/248) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 0.000 0.000 20.476) 20.476 1.085 ( 0.000 0.000 26.626) 26.626 2.542 ( 0.000 0.000 50.130) 50.130 3.203 ( 0.000 0.000 28.840) 28.840 3.989 ( 0.000 0.000 -12.529) 12.529 4.146 ( 0.000 0.000 39.574) 39.574 4.449 ( 0.000 0.000 -4.656) 4.656 5.947 ( 0.000 0.000 -4.715) 4.715 8.057 ( 0.000 0.000 -11.511) 11.511 8.373 ( 0.000 0.000 29.439) 29.439 8.933 ( 0.000 0.000 -9.682) 9.682 9.310 ( 0.000 0.000 20.002) 20.002 11.153 ( 0.000 0.000 0.638) 0.638 14.054 ( 0.000 0.000 -7.344) 7.344 14.944 ( 0.000 0.000 -0.832) 0.832 17.949 ( 0.000 0.000 -7.893) 7.893 18.191 ( 0.000 0.000 -8.852) 8.852 21.260 ( 0.000 0.000 -5.489) 5.489 ======================= Grid point 207 (64/248) ======================= q-point: ( 0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 1.568 -17.171 15.078) 22.905 1.182 ( 11.360 -2.147 21.879) 24.746 2.671 ( 12.528 -4.242 47.341) 49.154 3.249 ( 3.988 -2.618 27.089) 27.505 3.910 ( -7.912 1.090 5.413) 9.649 4.195 ( 7.679 5.487 14.279) 17.116 4.472 ( 2.296 -2.090 0.427) 3.134 6.001 ( 0.225 -6.590 -5.337) 8.483 8.055 ( 1.184 1.389 -12.003) 12.141 8.380 ( -1.120 -1.901 27.410) 27.498 8.877 ( -0.563 5.896 -6.921) 9.109 9.360 ( 1.601 -4.352 18.500) 19.073 11.074 ( -4.207 6.695 2.151) 8.194 13.627 ( -10.587 40.216 1.721) 41.622 15.071 ( -39.854 -44.671 -4.673) 60.047 16.380 ( -75.488 9.636 30.125) 81.847 19.710 ( 106.863 18.098 -37.859) 114.807 21.238 ( -2.601 -0.264 -5.733) 6.301 ======================= Grid point 208 (65/248) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 704 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 4.795 -22.367 6.105) 23.676 1.458 ( 17.119 -6.207 13.464) 22.646 2.978 ( 19.319 -4.594 40.575) 45.174 3.390 ( 7.263 -5.266 23.254) 24.925 3.750 ( -9.127 3.579 13.878) 16.991 4.164 ( 2.697 8.493 0.652) 8.935 4.567 ( 4.676 -2.055 6.035) 7.907 6.101 ( -1.700 -7.535 -5.506) 9.485 8.055 ( 2.418 2.009 -13.240) 13.608 8.382 ( -3.512 -2.744 19.663) 20.162 8.795 ( 1.752 5.786 -0.653) 6.081 9.458 ( 2.459 -5.040 17.542) 18.417 10.862 ( -6.587 10.801 5.995) 14.000 12.847 ( -26.254 25.574 12.807) 38.824 14.694 ( -59.608 -15.042 4.718) 61.657 15.950 ( -1.506 -12.083 20.828) 24.126 20.613 ( 60.355 25.751 -31.902) 72.963 21.242 ( 4.898 -0.988 -11.457) 12.499 ======================= Grid point 209 (66/248) ======================= q-point: ( 0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 8.670 -21.175 -1.406) 22.924 1.807 ( 14.634 -8.991 7.432) 18.714 3.293 ( 15.979 1.564 32.736) 36.461 3.514 ( -1.538 1.555 11.122) 11.335 3.646 ( 4.886 -4.211 23.758) 24.618 4.075 ( 0.025 5.631 2.730) 6.258 4.627 ( 1.321 0.076 9.309) 9.403 6.134 ( -4.536 -3.410 -3.829) 6.846 8.077 ( 4.004 1.385 -13.055) 13.726 8.354 ( -5.377 -2.846 7.067) 9.325 8.772 ( 3.510 3.408 7.691) 9.115 9.568 ( 3.098 -4.678 17.244) 18.134 10.625 ( -4.856 9.528 7.963) 13.333 12.237 ( -22.849 10.134 9.504) 26.741 14.098 ( -32.022 2.919 4.869) 32.521 16.201 ( 1.664 -17.564 13.193) 22.030 20.827 ( 14.983 13.617 -12.613) 23.854 21.416 ( 21.000 7.760 -22.378) 31.655 ======================= Grid point 210 (67/248) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 704 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 9.951 -13.392 -7.759) 18.400 2.097 ( 6.408 -9.433 3.856) 12.038 3.212 ( -5.777 9.130 25.825) 27.994 3.607 ( 11.162 2.853 1.854) 11.669 3.838 ( 8.378 -5.219 27.594) 29.307 4.028 ( -1.655 -0.531 12.827) 12.944 4.608 ( -1.996 1.183 12.826) 13.034 6.087 ( -4.113 -0.102 -2.538) 4.834 8.122 ( 3.915 1.165 -7.206) 8.283 8.320 ( -4.470 -2.900 -6.288) 8.242 8.782 ( 2.423 1.695 13.042) 13.373 9.669 ( 2.480 -3.275 17.492) 17.968 10.475 ( -1.385 5.127 6.044) 8.046 11.880 ( -13.196 3.655 2.626) 13.943 13.703 ( -14.519 4.577 3.757) 15.680 16.429 ( 1.055 -10.771 10.805) 15.293 20.811 ( 3.136 5.192 -7.437) 9.597 21.555 ( 12.506 7.054 -21.160) 25.572 ======================= Grid point 211 (68/248) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 0.000 -0.000 -9.249) 9.249 2.230 ( 0.000 -0.000 -0.983) 0.983 3.075 ( -0.000 -0.000 28.336) 28.336 3.660 ( 0.000 -0.000 -3.802) 3.802 3.982 ( -0.000 -0.000 19.574) 19.574 3.999 ( 0.000 -0.000 26.393) 26.393 4.575 ( -0.000 -0.000 14.376) 14.376 6.052 ( 0.000 -0.000 -2.314) 2.314 8.143 ( 0.000 -0.000 -1.291) 1.291 8.309 ( -0.000 -0.000 -14.408) 14.408 8.788 ( 0.000 -0.000 14.833) 14.833 9.714 ( -0.000 -0.000 17.994) 17.994 10.432 ( -0.000 -0.000 4.343) 4.343 11.756 ( 0.000 -0.000 -0.286) 0.286 13.563 ( 0.000 -0.000 3.649) 3.649 16.515 ( 0.000 -0.000 10.098) 10.098 20.795 ( 0.000 -0.000 -6.487) 6.487 21.593 ( 0.000 -0.000 -19.837) 19.837 ======================= Grid point 218 (69/248) ======================= q-point: ( 0.10 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 3.402 0.000 16.319) 16.670 1.382 ( 17.926 0.000 13.762) 22.600 2.902 ( 22.098 0.000 44.345) 49.546 3.307 ( 6.753 0.000 24.903) 25.802 3.801 ( -8.769 -0.000 12.647) 15.390 4.367 ( 7.006 0.000 10.208) 12.381 4.460 ( 0.550 0.000 -4.279) 4.314 5.967 ( 1.421 0.000 -4.025) 4.269 8.085 ( 1.460 0.000 -13.850) 13.927 8.343 ( -2.440 -0.000 24.110) 24.233 8.896 ( -2.012 -0.000 -3.522) 4.056 9.370 ( 4.049 0.000 18.935) 19.363 11.030 ( -8.145 -0.000 5.799) 9.999 13.534 ( -79.266 -0.000 18.944) 81.499 14.105 ( 3.344 0.000 -7.649) 8.348 15.832 ( -18.087 -0.000 27.088) 32.572 21.028 ( 29.647 0.000 -29.878) 42.090 21.267 ( 32.256 0.000 -28.471) 43.024 ======================= Grid point 219 (70/248) ======================= q-point: ( 0.20 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 4.770 -17.649 8.991) 20.374 1.679 ( 19.955 -2.065 6.635) 21.130 3.262 ( 23.972 -1.439 40.789) 47.334 3.443 ( 8.481 -3.052 20.505) 22.399 3.654 ( -9.039 1.519 15.517) 18.022 4.311 ( -0.621 9.238 3.212) 9.800 4.548 ( 0.196 -5.880 1.286) 6.022 6.017 ( 1.150 -3.231 -3.507) 4.906 8.099 ( 1.247 0.453 -16.342) 16.396 8.297 ( -5.070 -0.941 16.241) 17.040 8.857 ( -0.304 1.853 4.836) 5.188 9.459 ( 5.229 -2.401 17.648) 18.563 10.857 ( -9.388 5.063 10.942) 15.281 12.502 ( -47.188 6.711 14.036) 49.687 14.158 ( -4.300 0.737 -5.406) 6.947 15.767 ( -1.284 -9.709 19.846) 22.131 20.988 ( -8.761 1.129 -6.769) 11.129 21.831 ( 37.119 12.922 -41.903) 57.452 ======================= Grid point 220 (71/248) ======================= q-point: ( 0.30 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 5.360 -25.057 1.383) 25.662 1.983 ( 16.321 -2.246 1.381) 16.533 3.403 ( -6.412 4.046 31.375) 32.278 3.651 ( 11.380 -1.310 8.836) 14.467 3.675 ( 16.006 -4.689 28.271) 32.824 4.138 ( -5.900 7.919 6.678) 11.921 4.587 ( -3.473 -3.217 4.760) 6.713 6.062 ( -0.023 -1.541 -2.589) 3.013 8.120 ( 1.573 -0.910 -18.112) 18.203 8.225 ( -7.523 -2.131 7.281) 10.684 8.845 ( 1.661 1.637 12.766) 12.977 9.575 ( 5.281 -2.758 16.897) 17.916 10.659 ( -5.849 6.124 11.992) 14.681 11.951 ( -23.354 1.396 3.302) 23.627 13.982 ( -3.260 13.133 -2.448) 13.751 16.000 ( 4.470 -16.848 13.802) 22.233 20.838 ( -11.079 -0.939 -6.110) 12.687 21.996 ( 18.105 18.096 -30.314) 39.676 ======================= Grid point 221 (72/248) ======================= q-point: ( 0.40 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 4.799 -24.880 -3.772) 25.618 2.173 ( 5.859 -0.180 -2.596) 6.411 3.239 ( -3.932 5.937 30.256) 31.083 3.747 ( -0.530 3.646 0.723) 3.755 3.941 ( 6.093 -0.538 15.162) 16.350 3.980 ( 1.865 -0.923 26.026) 26.109 4.560 ( -3.604 -1.450 9.824) 10.564 6.068 ( 0.968 0.834 -2.120) 2.475 8.131 ( -5.676 -1.217 0.343) 5.816 8.191 ( -1.163 -5.482 -17.055) 17.952 8.844 ( 1.657 2.367 17.328) 17.567 9.677 ( 3.757 -1.875 17.173) 17.679 10.524 ( -2.268 4.985 8.270) 9.919 11.733 ( -7.438 -1.322 -1.431) 7.689 13.780 ( 4.396 14.163 -0.076) 14.830 16.302 ( 5.865 -13.620 10.233) 18.017 20.700 ( -13.167 -4.382 -6.709) 15.414 21.901 ( 4.939 17.357 -21.922) 28.394 ======================= Grid point 222 (73/248) ======================= q-point: (-0.50 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -2.735 -6.596 -11.826) 13.815 2.146 ( -2.953 -6.256 2.808) 7.466 3.143 ( 2.255 6.450 29.159) 29.948 3.570 ( -12.257 1.152 2.750) 12.614 3.933 ( -2.885 0.830 21.861) 22.066 4.082 ( 4.021 2.333 13.007) 13.813 4.554 ( -0.561 -2.233 15.816) 15.983 6.092 ( 4.468 0.742 -2.317) 5.088 8.060 ( -7.770 -3.269 -2.112) 8.691 8.270 ( 0.563 -5.446 -16.384) 17.275 8.819 ( 0.443 3.432 19.204) 19.514 9.723 ( 0.785 0.426 18.004) 18.026 10.445 ( -0.907 2.755 4.289) 5.177 11.759 ( 4.811 -4.425 0.394) 6.548 13.765 ( 17.188 8.674 2.566) 19.423 16.520 ( 5.785 -4.417 8.317) 11.052 20.568 ( -18.690 -8.819 -8.910) 22.506 21.689 ( -3.122 13.213 -16.665) 21.495 ======================= Grid point 223 (74/248) ======================= q-point: (-0.40 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -16.945 5.305 0.918) 17.780 2.220 ( -1.145 7.201 -2.926) 7.856 3.111 ( -5.656 -5.394 25.088) 26.277 3.462 ( -2.157 -1.454 7.915) 8.332 3.812 ( -6.715 5.840 21.688) 23.443 4.052 ( -0.968 2.963 6.366) 7.088 4.580 ( -1.711 -2.628 17.886) 18.159 6.177 ( 7.311 0.181 -2.947) 7.885 8.001 ( -7.374 -4.094 -6.385) 10.579 8.353 ( 1.173 -4.501 -11.409) 12.321 8.761 ( -1.367 3.618 18.921) 19.313 9.688 ( -1.571 3.242 18.112) 18.467 10.438 ( 1.135 -2.225 3.589) 4.373 11.971 ( 10.996 -8.462 5.876) 15.068 14.062 ( 34.305 1.424 6.987) 35.039 16.582 ( 5.641 7.456 7.405) 11.927 20.367 ( -33.324 -14.124 -13.583) 38.659 21.471 ( -4.603 8.643 -12.691) 16.029 ======================= Grid point 224 (75/248) ======================= q-point: (-0.30 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -17.157 5.970 8.169) 19.918 1.941 ( -5.637 21.551 3.327) 22.523 3.059 ( -11.132 -1.953 29.437) 31.532 3.527 ( 1.839 -0.638 12.693) 12.841 3.627 ( -3.908 1.426 16.977) 17.480 4.019 ( -0.406 -0.420 -0.413) 0.715 4.563 ( -4.933 -1.665 17.787) 18.534 6.263 ( 6.161 2.841 -4.723) 8.267 7.967 ( -5.293 -4.406 -9.542) 11.768 8.434 ( 2.963 -2.568 -3.215) 5.070 8.685 ( -3.644 1.470 15.305) 15.801 9.604 ( -1.668 4.786 17.910) 18.614 10.547 ( 3.051 -8.748 4.392) 10.253 12.297 ( 11.304 -14.357 10.730) 21.190 14.743 ( 55.822 -6.140 15.225) 58.185 16.479 ( 7.011 19.636 6.178) 21.746 19.938 ( -59.328 -18.299 -19.356) 65.034 21.331 ( -1.022 5.397 -9.019) 10.560 ======================= Grid point 225 (76/248) ======================= q-point: (-0.20 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -10.162 4.918 17.751) 21.037 1.527 ( -4.978 24.414 7.523) 26.028 2.863 ( -8.287 7.528 39.122) 40.693 3.381 ( -4.965 6.388 22.175) 23.605 3.789 ( 6.207 -9.567 10.994) 15.840 4.035 ( -1.553 -2.408 -7.354) 7.893 4.498 ( -5.042 -0.486 17.055) 17.791 6.249 ( 2.354 7.989 -7.044) 10.908 7.976 ( -2.204 -4.298 -10.591) 11.641 8.483 ( 3.488 4.148 17.778) 18.585 8.656 ( -3.711 -7.215 -1.315) 8.220 9.513 ( -0.823 5.483 17.532) 18.387 10.755 ( 2.879 -13.315 3.429) 14.048 12.701 ( 7.303 -23.656 11.157) 27.155 15.877 ( 65.636 -22.758 30.807) 75.994 16.268 ( 26.640 36.183 -5.423) 45.259 19.112 ( -90.053 -17.104 -19.777) 93.772 21.277 ( 1.030 2.840 -6.706) 7.355 ======================= Grid point 226 (77/248) ======================= q-point: (-0.10 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 0.000 2.535 24.989) 25.117 1.137 ( 0.000 24.194 10.377) 26.326 2.674 ( 0.000 8.433 45.725) 46.496 3.267 ( 0.000 4.436 25.668) 26.049 4.004 ( -0.000 -9.792 22.385) 24.433 4.004 ( 0.000 1.072 -12.228) 12.274 4.462 ( 0.000 0.045 9.804) 9.804 6.127 ( 0.000 10.295 -7.224) 12.577 8.014 ( -0.000 -3.056 -10.956) 11.374 8.434 ( 0.000 4.486 27.017) 27.386 8.763 ( -0.000 -9.471 -7.239) 11.921 9.426 ( 0.000 5.846 17.303) 18.264 10.966 ( -0.000 -12.295 1.649) 12.405 13.167 ( -0.000 -33.940 6.435) 34.545 15.847 ( 0.000 33.060 4.714) 33.395 17.501 ( -0.000 -35.184 3.800) 35.389 17.972 ( 0.000 1.547 -7.883) 8.033 21.263 ( 0.000 0.896 -5.751) 5.821 ======================= Grid point 229 (78/248) ======================= q-point: ( 0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 5.595 0.000 8.265) 9.980 1.950 ( 18.213 0.000 1.284) 18.259 3.473 ( -5.746 -0.000 40.592) 40.997 3.553 ( 9.376 0.000 16.340) 18.839 3.652 ( 18.858 0.000 15.050) 24.127 4.335 ( -10.183 -0.000 11.077) 15.046 4.466 ( -0.366 -0.000 -3.705) 3.723 6.033 ( 3.169 0.000 -2.528) 4.054 8.109 ( -0.056 -0.000 -19.078) 19.078 8.196 ( -8.085 -0.000 8.719) 11.890 8.866 ( 0.578 0.000 14.193) 14.205 9.534 ( 6.782 0.000 16.700) 18.025 10.754 ( -8.684 -0.000 14.925) 17.268 11.969 ( -28.056 -0.000 3.415) 28.263 14.232 ( 5.092 0.000 -8.359) 9.788 15.698 ( 3.604 0.000 17.103) 17.479 20.822 ( -13.617 -0.000 -5.998) 14.880 22.293 ( 15.086 0.000 -35.649) 38.709 ======================= Grid point 230 (79/248) ======================= q-point: ( 0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 5.652 -17.286 2.734) 18.391 2.168 ( 10.066 -0.121 -3.085) 10.529 3.341 ( -6.306 1.821 31.093) 31.778 3.710 ( 8.064 -2.901 12.464) 15.126 3.940 ( 15.471 -0.666 23.481) 28.127 4.091 ( -13.407 5.920 12.996) 19.588 4.483 ( -2.459 -3.247 -0.139) 4.075 6.084 ( 3.604 0.228 -1.980) 4.118 8.067 ( -10.003 -1.376 0.601) 10.115 8.112 ( -0.873 -1.275 -19.204) 19.266 8.884 ( 2.198 0.534 21.637) 21.755 9.638 ( 6.211 -0.735 16.280) 17.440 10.635 ( -5.117 2.155 13.848) 14.920 11.701 ( -10.375 -0.659 -3.245) 10.891 14.214 ( 5.403 12.218 -7.063) 15.111 15.892 ( 10.373 -11.444 11.928) 19.515 20.613 ( -16.466 -1.594 -6.466) 17.762 22.329 ( 1.124 9.493 -26.296) 27.979 ======================= Grid point 231 (80/248) ======================= q-point: ( 0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 704 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 4.983 -24.407 -2.704) 25.057 2.200 ( -4.795 1.841 -3.759) 6.365 3.290 ( 3.534 2.158 28.645) 28.943 3.697 ( -16.528 6.263 14.334) 22.757 3.888 ( 1.552 -3.010 17.526) 17.850 4.143 ( 9.233 1.939 11.508) 14.881 4.487 ( -2.134 -2.574 7.488) 8.200 6.129 ( 4.504 1.454 -1.999) 5.138 7.947 ( -11.136 -3.771 -1.675) 11.876 8.135 ( -0.564 -3.339 -20.409) 20.688 8.902 ( 2.333 2.003 25.421) 25.606 9.720 ( 3.750 -0.232 17.214) 17.620 10.545 ( -2.374 2.951 9.275) 10.019 11.660 ( 1.041 -2.270 -2.877) 3.810 14.124 ( 11.071 14.444 -4.440) 18.733 16.253 ( 14.412 -12.004 7.036) 20.033 20.386 ( -20.807 -4.103 -8.030) 22.677 22.112 ( -6.520 13.753 -18.618) 24.048 ======================= Grid point 232 (81/248) ======================= q-point: (-0.50 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 3.238 -22.445 -8.467) 24.206 2.002 ( -14.963 2.725 2.194) 15.366 3.267 ( -8.494 11.130 34.805) 37.515 3.419 ( -1.067 -1.458 7.997) 8.199 3.921 ( -1.052 1.492 13.774) 13.894 4.165 ( 0.788 4.209 3.518) 5.542 4.501 ( -1.717 -2.848 17.590) 17.901 6.188 ( 6.487 1.014 -2.515) 7.031 7.856 ( -10.491 -5.632 -3.758) 12.486 8.188 ( -0.904 -5.493 -18.499) 19.319 8.887 ( 1.483 4.061 26.490) 26.841 9.745 ( 0.625 1.147 18.871) 18.916 10.480 ( -0.371 3.355 4.469) 5.601 11.774 ( 6.618 -5.164 1.755) 8.576 14.196 ( 21.728 7.496 0.086) 22.985 16.606 ( 17.084 -4.544 3.336) 17.989 20.094 ( -30.573 -5.878 -10.909) 32.989 21.805 ( -7.718 13.335 -12.868) 20.075 ======================= Grid point 233 (82/248) ======================= q-point: (-0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 704 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -18.363 4.591 6.503) 20.014 2.204 ( 1.531 -10.377 -8.049) 13.222 2.955 ( -12.002 3.717 31.574) 33.982 3.503 ( 6.940 1.339 8.971) 11.421 3.806 ( -5.968 6.805 13.639) 16.368 4.093 ( -0.907 4.302 0.274) 4.406 4.501 ( -3.745 -2.479 23.214) 23.644 6.286 ( 7.158 -0.132 -3.259) 7.866 7.805 ( -8.302 -6.739 -5.648) 12.092 8.261 ( -1.104 -6.950 -15.452) 16.979 8.830 ( 0.494 5.947 25.655) 26.340 9.712 ( -1.034 2.796 19.783) 20.006 10.449 ( 1.109 1.292 2.077) 2.686 11.976 ( 7.054 -8.787 7.082) 13.309 14.567 ( 32.084 -4.695 8.936) 33.634 16.868 ( 21.994 7.298 -0.309) 23.175 19.619 ( -47.253 -5.484 -14.064) 49.606 21.551 ( -3.908 9.926 -9.032) 13.978 ======================= Grid point 234 (83/248) ======================= q-point: (-0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -12.681 4.581 15.252) 20.357 2.138 ( -3.307 14.727 1.888) 15.211 2.904 ( -2.887 -7.134 26.206) 27.313 3.557 ( 2.871 0.197 8.318) 8.802 3.601 ( -5.859 7.637 13.657) 16.708 4.051 ( 1.588 2.194 -5.536) 6.163 4.465 ( -4.428 -1.512 27.909) 28.299 6.371 ( 4.341 1.033 -4.572) 6.389 7.811 ( -4.263 -7.177 -7.374) 11.138 8.355 ( -0.511 -8.216 -12.299) 14.799 8.737 ( -0.266 7.417 24.046) 25.166 9.648 ( -0.812 3.991 19.587) 20.006 10.486 ( 1.336 -4.095 2.076) 4.782 12.213 ( 4.485 -12.664 10.597) 17.112 15.226 ( 30.882 -20.702 23.242) 43.846 17.079 ( 37.239 20.480 -7.032) 43.077 18.856 ( -65.052 -2.136 -14.702) 66.727 21.408 ( -0.570 6.449 -7.218) 9.696 ======================= Grid point 235 (84/248) ======================= q-point: (-0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 0.000 4.063 21.244) 21.629 1.831 ( 0.000 22.755 6.295) 23.609 2.907 ( 0.000 4.283 32.915) 33.193 3.441 ( 0.000 7.581 17.623) 19.185 3.659 ( -0.000 -10.971 6.041) 12.525 4.044 ( 0.000 1.638 -11.255) 11.373 4.444 ( -0.000 -1.056 28.330) 28.349 6.362 ( 0.000 4.735 -6.373) 7.940 7.880 ( -0.000 -6.436 -8.837) 10.933 8.481 ( -0.000 -9.752 -9.890) 13.889 8.620 ( 0.000 8.067 23.581) 24.923 9.580 ( 0.000 4.804 18.585) 19.196 10.601 ( -0.000 -10.343 2.666) 10.681 12.459 ( -0.000 -17.463 11.665) 21.001 15.855 ( -0.000 -27.919 36.130) 45.660 17.335 ( 0.000 22.039 -19.917) 29.705 18.031 ( 0.000 2.568 -7.860) 8.269 21.333 ( 0.000 4.176 -6.604) 7.813 ======================= Grid point 240 (85/248) ======================= q-point: ( 0.30 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 5.736 0.000 1.283) 5.877 2.227 ( -3.180 -0.000 -4.428) 5.451 3.312 ( 1.769 0.000 26.087) 26.147 3.810 ( 7.825 0.000 8.986) 11.916 3.823 ( -20.080 -0.000 30.516) 36.530 4.181 ( 10.481 0.000 16.326) 19.401 4.436 ( -1.662 -0.000 -3.764) 4.115 6.152 ( 5.027 0.000 -1.901) 5.374 7.892 ( -12.062 -0.000 -1.752) 12.189 8.086 ( -1.386 -0.000 -21.832) 21.876 8.930 ( 3.385 0.000 28.121) 28.324 9.717 ( 4.813 0.000 16.754) 17.432 10.586 ( -3.291 -0.000 12.230) 12.665 11.630 ( 0.409 0.000 -4.209) 4.229 14.382 ( 4.892 0.000 -9.153) 10.378 16.034 ( 20.631 0.000 7.686) 22.016 20.329 ( -20.996 -0.000 -7.558) 22.315 22.328 ( -9.095 -0.000 -20.285) 22.231 ======================= Grid point 241 (86/248) ======================= q-point: ( 0.40 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 4.785 -16.394 -2.583) 17.272 2.074 ( -15.325 1.423 -0.855) 15.415 3.386 ( 3.477 -0.633 10.042) 10.646 3.516 ( -12.804 4.968 44.027) 46.120 3.919 ( 5.261 -0.726 8.165) 9.741 4.263 ( 2.675 2.398 9.435) 10.096 4.426 ( -1.871 -2.144 2.571) 3.835 6.223 ( 5.667 0.949 -2.437) 6.242 7.732 ( -11.831 -2.423 -3.636) 12.612 8.078 ( -1.586 -2.080 -21.097) 21.259 8.970 ( 3.277 1.611 31.318) 31.531 9.766 ( 2.094 0.346 18.798) 18.918 10.547 ( -1.042 1.015 8.413) 8.538 11.687 ( 5.465 -1.215 -0.808) 5.656 14.408 ( 6.918 5.407 -8.124) 11.962 16.443 ( 28.824 -4.568 2.053) 29.256 19.993 ( -27.768 -1.695 -9.479) 29.390 22.113 ( -12.199 6.584 -14.523) 20.077 ======================= Grid point 242 (87/248) ======================= q-point: (-0.50 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 3.248 -23.422 -7.379) 24.771 1.787 ( -18.730 2.236 5.593) 19.675 3.160 ( -15.071 5.969 32.665) 36.466 3.566 ( 12.494 2.769 17.729) 21.865 3.951 ( 0.630 3.258 7.994) 8.656 4.211 ( -2.664 3.594 -0.567) 4.510 4.428 ( -2.747 -2.573 14.669) 15.144 6.295 ( 5.993 0.792 -3.290) 6.883 7.626 ( -9.796 -5.074 -4.327) 11.850 8.100 ( -1.453 -4.137 -19.224) 19.717 8.971 ( 2.115 3.835 31.845) 32.145 9.768 ( -0.009 1.282 21.053) 21.092 10.522 ( 0.518 2.203 4.518) 5.053 11.803 ( 5.680 -3.367 3.766) 7.601 14.499 ( 11.823 -0.479 -3.492) 12.337 16.945 ( 34.726 -0.216 -2.885) 34.846 19.540 ( -38.609 -1.262 -11.716) 40.367 21.839 ( -8.853 9.002 -9.994) 16.103 ======================= Grid point 243 (88/248) ======================= q-point: (-0.40 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -13.487 3.419 12.340) 18.597 1.987 ( 1.745 -22.393 -10.667) 24.866 2.892 ( -7.642 7.448 36.559) 38.085 3.673 ( 8.904 5.512 10.756) 15.012 3.842 ( -3.684 8.056 8.179) 12.057 4.123 ( -2.308 2.429 -5.514) 6.452 4.419 ( -2.742 -1.860 24.305) 24.530 6.369 ( 4.366 -0.203 -3.871) 5.838 7.598 ( -5.690 -7.123 -4.866) 10.334 8.153 ( -0.959 -5.820 -16.924) 17.922 8.924 ( 0.823 5.644 30.253) 30.786 9.737 ( -0.524 2.316 21.951) 22.079 10.495 ( 0.725 2.799 1.935) 3.479 11.941 ( 3.407 -6.615 7.386) 10.484 14.768 ( 12.325 -11.574 5.894) 17.905 17.452 ( 42.447 7.175 -7.344) 43.671 18.886 ( -50.379 2.436 -12.769) 52.029 21.627 ( -3.269 8.391 -7.513) 11.728 ======================= Grid point 244 (89/248) ======================= q-point: (-0.30 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 0.000 3.945 17.462) 17.902 2.211 ( -0.000 -4.386 -7.523) 8.708 2.787 ( -0.000 -2.557 32.326) 32.427 3.646 ( 0.000 7.775 11.005) 13.474 3.674 ( 0.000 8.445 7.702) 11.430 4.088 ( 0.000 1.282 -9.298) 9.386 4.414 ( -0.000 -1.065 31.770) 31.788 6.408 ( -0.000 -0.274 -4.166) 4.175 7.666 ( -0.000 -8.120 -5.858) 10.012 8.238 ( -0.000 -7.284 -14.687) 16.394 8.840 ( 0.000 6.931 27.360) 28.224 9.693 ( 0.000 3.199 21.272) 21.511 10.473 ( 0.000 0.692 1.125) 1.321 12.084 ( -0.000 -9.922 9.601) 13.806 15.115 ( -0.000 -21.122 17.450) 27.398 17.938 ( 0.000 16.953 -15.415) 22.914 18.108 ( 0.000 2.657 -7.839) 8.277 21.498 ( 0.000 7.241 -6.850) 9.968 ======================= Grid point 251 (90/248) ======================= q-point: ( 0.40 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 3.707 0.000 -3.527) 5.117 1.823 ( -19.253 -0.000 4.305) 19.728 3.239 ( -13.868 -0.000 29.042) 32.183 3.617 ( 12.631 0.000 26.508) 29.363 3.995 ( 4.819 0.000 6.423) 8.029 4.274 ( -4.022 -0.000 13.039) 13.645 4.377 ( -2.173 -0.000 -5.118) 5.561 6.311 ( 5.341 0.000 -3.510) 6.391 7.551 ( -10.213 -0.000 -4.140) 11.020 8.039 ( -1.530 -0.000 -20.403) 20.460 9.030 ( 2.973 0.000 34.507) 34.634 9.786 ( 0.389 0.000 21.414) 21.418 10.549 ( 0.337 0.000 6.046) 6.055 11.764 ( 5.611 0.000 3.223) 6.471 14.501 ( 3.037 0.000 -9.829) 10.288 16.931 ( 40.534 0.000 -3.307) 40.669 19.523 ( -35.868 -0.000 -10.953) 37.503 21.980 ( -11.298 -0.000 -10.686) 15.551 ======================= Grid point 252 (91/248) ======================= q-point: (-0.50 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 1.970 -16.050 -6.087) 17.278 1.561 ( -13.902 1.201 10.906) 17.710 3.057 ( -7.757 3.078 36.087) 37.039 3.796 ( 13.366 2.538 17.659) 22.292 4.021 ( 1.128 4.009 7.829) 8.867 4.169 ( -7.729 0.717 4.764) 9.107 4.362 ( -1.705 -1.722 1.744) 2.986 6.375 ( 3.662 0.350 -4.566) 5.864 7.450 ( -6.115 -2.869 -3.986) 7.843 8.037 ( -0.916 -2.189 -19.105) 19.252 9.046 ( 1.549 2.539 35.175) 35.301 9.780 ( -0.245 0.776 23.313) 23.327 10.552 ( 0.617 0.779 3.902) 4.026 11.838 ( 3.213 -1.229 6.386) 7.254 14.559 ( 2.871 -3.503 -7.939) 9.141 17.559 ( 45.992 1.408 -7.457) 46.614 18.936 ( -44.280 0.872 -11.789) 45.831 21.820 ( -5.827 4.095 -8.039) 10.740 ======================= Grid point 253 (92/248) ======================= q-point: (-0.40 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 0.000 2.370 14.858) 15.046 1.662 ( -0.000 -23.847 -9.214) 25.565 2.934 ( 0.000 6.119 37.783) 38.275 3.883 ( 0.000 7.349 24.873) 25.936 3.893 ( 0.000 6.685 -2.205) 7.039 4.104 ( -0.000 -0.374 -5.284) 5.297 4.375 ( -0.000 -1.788 14.664) 14.772 6.400 ( 0.000 0.055 -4.637) 4.637 7.464 ( -0.000 -5.484 -4.134) 6.868 8.075 ( -0.000 -4.134 -17.912) 18.383 9.005 ( 0.000 4.608 33.522) 33.838 9.761 ( 0.000 1.612 23.438) 23.494 10.537 ( 0.000 2.098 2.660) 3.388 11.893 ( -0.000 -3.556 7.397) 8.208 14.683 ( -0.000 -9.787 -1.637) 9.923 18.171 ( 0.000 1.690 -7.829) 8.009 18.257 ( 0.000 6.225 -13.534) 14.897 21.705 ( 0.000 6.404 -7.084) 9.550 ======================= Grid point 263 (93/248) ======================= q-point: (-0.50 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -0.000 -0.000 -5.353) 5.353 1.462 ( -0.000 -0.000 13.933) 13.933 3.023 ( -0.000 -0.000 37.295) 37.295 4.002 ( -0.000 -0.000 45.694) 45.694 4.018 ( 0.000 0.000 -17.096) 17.096 4.073 ( -0.000 -0.000 7.473) 7.473 4.336 ( -0.000 -0.000 -7.115) 7.115 6.405 ( -0.000 -0.000 -5.282) 5.282 7.383 ( -0.000 -0.000 -3.659) 3.659 8.014 ( 0.000 0.000 -18.946) 18.946 9.077 ( -0.000 -0.000 36.408) 36.408 9.784 ( -0.000 -0.000 24.244) 24.244 10.562 ( -0.000 -0.000 3.427) 3.427 11.854 ( -0.000 -0.000 7.754) 7.754 14.546 ( -0.000 -0.000 -10.118) 10.118 18.196 ( -0.000 -0.000 -7.827) 7.827 18.337 ( -0.000 -0.000 -12.969) 12.969 21.804 ( -0.000 -0.000 -7.314) 7.314 ======================= Grid point 309 (94/248) ======================= q-point: ( 0.00 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 217 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 0.000 0.000 23.135) 23.135 1.621 ( 0.000 0.000 25.492) 25.492 3.421 ( 0.000 0.000 36.827) 36.827 3.716 ( 0.000 0.000 -13.497) 13.497 3.850 ( 0.000 0.000 33.654) 33.654 4.332 ( 0.000 0.000 -6.810) 6.810 5.047 ( 0.000 0.000 46.109) 46.109 5.850 ( 0.000 0.000 -4.560) 4.560 7.818 ( 0.000 0.000 -11.870) 11.870 8.691 ( 0.000 0.000 -13.934) 13.934 9.008 ( 0.000 0.000 31.510) 31.510 9.730 ( 0.000 0.000 20.667) 20.667 11.175 ( 0.000 0.000 1.490) 1.490 13.878 ( 0.000 0.000 -9.711) 9.711 14.944 ( 0.000 0.000 1.049) 1.049 17.759 ( 0.000 0.000 -10.421) 10.421 17.976 ( 0.000 0.000 -11.944) 11.944 21.126 ( 0.000 0.000 -7.415) 7.415 ======================= Grid point 310 (95/248) ======================= q-point: ( 0.10 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -0.958 -9.135 19.946) 21.959 1.654 ( 4.152 -1.268 23.696) 24.091 3.420 ( -1.337 -1.325 18.772) 18.866 3.795 ( 11.026 0.338 7.024) 13.077 3.868 ( -0.108 -1.764 27.147) 27.204 4.283 ( 1.909 8.115 -4.371) 9.413 5.074 ( 0.120 -3.393 44.437) 44.567 5.899 ( 0.772 -5.581 -4.536) 7.233 7.807 ( -0.357 1.154 -12.299) 12.358 8.609 ( -5.607 4.545 -11.174) 13.303 9.042 ( 4.143 0.214 28.489) 28.789 9.762 ( 1.067 -3.127 20.153) 20.422 11.108 ( -1.896 7.220 1.506) 7.615 13.601 ( -5.296 29.484 -3.037) 30.110 14.959 ( -39.973 -36.003 -5.957) 54.125 16.749 ( -52.845 5.344 9.228) 53.910 19.074 ( 83.876 9.628 -26.267) 88.419 21.103 ( -3.208 -0.313 -7.287) 7.968 ======================= Grid point 311 (96/248) ======================= q-point: ( 0.20 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -0.531 -14.028 11.969) 18.448 1.796 ( 9.092 -5.015 18.951) 21.609 3.426 ( 0.942 0.085 -1.380) 1.673 3.855 ( -1.791 3.344 16.340) 16.774 4.003 ( 14.755 -1.981 25.033) 29.125 4.207 ( 5.236 7.520 4.742) 10.317 5.134 ( -0.356 -4.796 41.762) 42.038 6.002 ( -0.230 -7.153 -4.225) 8.311 7.779 ( -0.534 1.563 -13.602) 13.702 8.437 ( -6.800 5.930 -10.038) 13.496 9.106 ( 5.281 0.719 25.815) 26.360 9.838 ( 1.544 -4.550 19.115) 19.710 10.934 ( -2.690 11.735 1.933) 12.194 13.006 ( -21.945 23.477 4.626) 32.468 14.646 ( -55.247 -20.815 -7.614) 59.527 16.337 ( -8.439 -6.284 15.471) 18.710 19.975 ( 64.273 16.143 -29.095) 72.375 21.057 ( -4.644 -1.954 -8.019) 9.470 ======================= Grid point 312 (97/248) ======================= q-point: ( 0.30 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 2.872 -15.210 2.210) 15.635 2.031 ( 9.626 -7.620 14.054) 18.660 3.437 ( 1.258 1.085 -10.519) 10.649 3.716 ( -0.882 11.972 7.202) 14.000 4.219 ( 8.482 -1.143 22.431) 24.008 4.276 ( 11.572 -1.377 21.723) 24.652 5.187 ( -1.514 -4.252 40.827) 41.075 6.064 ( -2.771 -4.150 -2.938) 5.791 7.767 ( 0.737 -0.429 -15.674) 15.697 8.262 ( -6.134 5.399 -11.458) 14.073 9.172 ( 5.221 0.859 24.417) 24.983 9.926 ( 1.526 -4.558 17.604) 18.248 10.727 ( -2.025 11.695 2.727) 12.178 12.380 ( -28.490 11.148 4.459) 30.917 14.136 ( -33.753 -2.574 -0.931) 33.864 16.453 ( -0.016 -13.083 10.669) 16.882 20.478 ( 37.386 16.628 -20.640) 45.828 21.050 ( -0.291 -2.977 -13.202) 13.537 ======================= Grid point 313 (98/248) ======================= q-point: ( 0.40 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 3.961 -11.048 -5.673) 13.035 2.250 ( 5.698 -6.228 10.789) 13.699 3.415 ( -1.799 2.132 -8.872) 9.300 3.551 ( 2.060 10.107 2.167) 10.540 4.341 ( 5.258 -2.320 19.012) 19.862 4.456 ( 8.139 -1.272 25.954) 27.230 5.208 ( -1.989 -2.498 42.158) 42.279 6.046 ( -3.347 -0.595 -1.330) 3.650 7.822 ( 2.906 -3.387 -17.181) 17.751 8.107 ( -5.204 4.790 -13.836) 15.539 9.228 ( 3.609 0.562 24.294) 24.567 10.005 ( 1.204 -3.498 15.425) 15.862 10.565 ( -0.923 7.700 2.742) 8.226 11.914 ( -19.268 4.181 0.200) 19.718 13.786 ( -14.673 1.814 4.409) 15.429 16.621 ( 0.464 -8.712 7.387) 11.431 20.640 ( 12.101 8.317 -9.425) 17.447 21.121 ( 5.291 -0.025 -20.118) 20.802 ======================= Grid point 314 (99/248) ======================= q-point: (-0.50 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 0.000 -0.000 -8.971) 8.971 2.340 ( 0.000 -0.000 9.557) 9.557 3.366 ( 0.000 -0.000 -1.167) 1.167 3.504 ( 0.000 -0.000 -4.842) 4.842 4.403 ( -0.000 -0.000 18.962) 18.962 4.525 ( 0.000 -0.000 24.549) 24.549 5.209 ( 0.000 -0.000 43.472) 43.472 6.019 ( 0.000 -0.000 -0.712) 0.712 7.904 ( 0.000 -0.000 -17.084) 17.084 8.003 ( -0.000 0.000 -15.464) 15.464 9.252 ( 0.000 -0.000 24.660) 24.660 10.043 ( 0.000 -0.000 14.257) 14.257 10.499 ( -0.000 -0.000 2.186) 2.186 11.739 ( 0.000 -0.000 -1.721) 1.721 13.666 ( 0.000 -0.000 6.442) 6.442 16.689 ( 0.000 -0.000 6.294) 6.294 20.661 ( 0.000 -0.000 -6.292) 6.292 21.163 ( -0.000 -0.000 -21.428) 21.428 ======================= Grid point 321 (100/248) ======================= q-point: ( 0.10 0.10 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -1.016 -0.000 20.402) 20.427 1.727 ( 7.846 0.000 19.512) 21.030 3.425 ( 2.336 0.000 0.070) 2.337 3.865 ( 1.211 0.000 27.634) 27.660 3.977 ( 13.577 0.000 20.784) 24.825 4.369 ( 1.969 0.000 -3.441) 3.965 5.045 ( -0.682 -0.000 44.229) 44.235 5.883 ( 2.290 0.000 -3.939) 4.557 7.804 ( -1.206 -0.000 -13.683) 13.736 8.526 ( -9.368 -0.000 -7.708) 12.131 9.122 ( 5.964 0.000 25.956) 26.632 9.766 ( 2.479 0.000 19.498) 19.655 11.117 ( -3.758 -0.000 3.520) 5.149 13.735 ( -70.601 -0.000 3.678) 70.696 13.922 ( 2.906 0.000 -10.063) 10.474 16.265 ( -20.449 -0.000 15.728) 25.798 20.238 ( 64.616 0.000 -35.303) 73.631 21.033 ( -5.597 -0.000 -8.236) 9.958 ======================= Grid point 322 (101/248) ======================= q-point: ( 0.20 0.10 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -0.216 -9.644 14.463) 17.385 1.890 ( 11.564 -2.539 14.055) 18.376 3.458 ( 1.755 0.384 -11.055) 11.200 3.884 ( 1.709 0.949 20.253) 20.347 4.189 ( 14.027 -1.013 30.742) 33.806 4.356 ( 2.418 4.984 1.880) 5.850 5.053 ( -2.270 -3.844 42.180) 42.415 5.946 ( 2.540 -2.928 -3.227) 5.043 7.774 ( -2.140 0.537 -15.543) 15.699 8.363 ( -10.537 1.794 -7.065) 12.813 9.207 ( 6.422 0.902 25.337) 26.154 9.826 ( 3.325 -2.087 17.951) 18.376 11.009 ( -4.530 6.090 5.150) 9.173 12.686 ( -53.298 8.443 4.336) 54.137 14.011 ( -5.475 -4.812 -8.732) 11.374 16.132 ( -5.479 -7.051 15.475) 17.866 20.799 ( 7.041 3.968 -13.782) 15.977 21.086 ( 27.553 4.352 -28.582) 39.938 ======================= Grid point 323 (102/248) ======================= q-point: ( 0.30 0.10 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 1.814 -16.828 4.835) 17.602 2.102 ( 10.391 -3.519 10.400) 15.117 3.450 ( -1.647 0.799 -12.459) 12.593 3.862 ( 1.778 7.003 8.761) 11.356 4.309 ( 3.278 1.984 15.523) 15.988 4.417 ( 9.865 -1.210 26.895) 28.673 5.082 ( -3.001 -5.677 41.617) 42.109 6.012 ( 1.461 -1.657 -2.063) 3.023 7.746 ( -1.535 -1.301 -17.795) 17.909 8.188 ( -10.168 1.267 -8.145) 13.090 9.279 ( 6.138 2.000 25.173) 25.987 9.910 ( 3.454 -2.660 15.798) 16.389 10.835 ( -3.942 9.088 5.701) 11.429 11.996 ( -31.890 1.774 0.539) 31.944 13.915 ( -3.933 6.307 -3.880) 8.385 16.262 ( 0.846 -13.876 11.456) 18.014 20.703 ( -10.783 -1.023 -6.914) 12.850 21.378 ( 24.203 12.645 -29.287) 40.042 ======================= Grid point 324 (103/248) ======================= q-point: ( 0.40 0.10 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 2.573 -17.670 -3.796) 18.256 2.253 ( 3.321 -2.799 9.444) 10.395 3.403 ( -2.669 0.499 -9.645) 10.020 3.728 ( -0.346 12.607 1.923) 12.758 4.351 ( 1.080 -2.494 18.226) 18.427 4.520 ( 1.756 -0.350 25.217) 25.280 5.132 ( -0.422 -5.134 43.310) 43.616 6.036 ( 1.761 0.851 -0.787) 2.108 7.783 ( 0.437 -5.019 -19.458) 20.100 8.035 ( -9.401 0.263 -9.768) 13.560 9.317 ( 4.106 3.550 24.792) 25.379 9.996 ( 3.322 -2.282 13.941) 14.511 10.654 ( -3.307 8.687 4.281) 10.234 11.701 ( -9.601 -2.282 -1.923) 10.054 13.791 ( 3.321 8.296 1.293) 9.029 16.488 ( 2.785 -12.637 7.502) 14.958 20.551 ( -15.741 -4.660 -7.765) 18.160 21.437 ( 11.519 14.485 -22.604) 29.214 ======================= Grid point 325 (104/248) ======================= q-point: (-0.50 0.10 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 0.195 -8.240 -8.477) 11.823 2.279 ( -4.322 -3.335 10.029) 11.419 3.381 ( 0.166 -0.289 -8.176) 8.183 3.531 ( -3.601 9.594 2.722) 10.603 4.365 ( -3.617 -1.044 17.980) 18.370 4.480 ( -6.511 0.488 23.607) 24.493 5.204 ( 1.900 -2.793 43.473) 43.604 6.065 ( 4.789 1.155 -0.215) 4.931 7.864 ( -2.724 -2.528 -16.563) 16.974 7.932 ( -3.986 -5.279 -13.936) 15.426 9.292 ( 0.731 4.810 23.244) 23.747 10.058 ( 2.239 -0.135 14.855) 15.023 10.513 ( -2.246 4.456 2.318) 5.502 11.763 ( 8.837 -6.114 -0.269) 10.749 13.830 ( 16.272 4.803 3.783) 17.383 16.664 ( 2.894 -5.648 5.273) 8.251 20.361 ( -24.125 -8.431 -11.219) 27.910 21.345 ( 3.924 12.810 -16.114) 20.956 ======================= Grid point 326 (105/248) ======================= q-point: (-0.40 0.10 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -5.191 4.447 -1.396) 6.977 2.236 ( -5.438 1.546 6.426) 8.559 3.392 ( -4.184 -1.822 -5.755) 7.345 3.433 ( 2.551 -1.927 2.550) 4.089 4.275 ( -7.325 1.856 18.850) 20.308 4.331 ( -11.552 1.711 22.456) 25.311 5.250 ( 1.373 -0.082 42.779) 42.801 6.140 ( 6.990 1.363 -0.775) 7.163 7.783 ( -5.879 -0.110 -13.270) 14.514 8.053 ( 1.483 -9.161 -16.226) 18.692 9.215 ( -1.772 4.555 21.748) 22.291 10.052 ( 0.475 3.611 17.570) 17.944 10.486 ( -0.269 -3.345 1.132) 3.541 12.080 ( 16.762 -10.247 4.361) 20.124 14.166 ( 36.169 0.307 3.008) 36.295 16.717 ( 2.270 3.745 5.069) 6.699 20.052 ( -39.245 -11.604 -16.679) 44.193 21.227 ( 2.258 9.276 -10.659) 14.310 ======================= Grid point 327 (106/248) ======================= q-point: (-0.30 0.10 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -3.290 7.943 7.790) 11.601 2.043 ( -7.485 11.311 8.973) 16.262 3.399 ( -0.024 -3.004 -0.115) 3.007 3.573 ( 3.224 -10.954 -0.866) 11.451 4.084 ( -14.368 3.164 25.719) 29.630 4.153 ( -7.599 2.055 14.976) 16.919 5.245 ( 0.232 2.335 42.677) 42.742 6.191 ( 5.066 4.896 -2.607) 7.512 7.731 ( -2.920 -1.878 -12.691) 13.158 8.212 ( 2.062 -9.697 -14.067) 17.210 9.126 ( -2.722 3.086 22.421) 22.796 9.987 ( -0.216 5.423 19.221) 19.973 10.588 ( 0.829 -9.966 0.176) 10.002 12.485 ( 13.624 -14.649 8.124) 21.591 14.891 ( 61.704 -2.099 -0.453) 61.741 16.627 ( 0.979 11.738 7.167) 13.788 19.520 ( -58.892 -13.135 -20.844) 63.838 21.160 ( 2.805 5.582 -7.483) 9.748 ======================= Grid point 328 (107/248) ======================= q-point: (-0.20 0.10 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 3.176 11.448 12.740) 17.420 1.760 ( -8.608 9.291 17.394) 21.517 3.459 ( 5.517 0.398 10.231) 11.631 3.775 ( -5.718 -7.494 3.165) 9.944 3.855 ( -3.989 -2.178 16.801) 17.405 4.037 ( -6.846 -0.965 13.465) 15.136 5.197 ( -0.243 4.086 43.130) 43.324 6.137 ( 1.520 9.136 -4.438) 10.270 7.746 ( -0.509 -3.105 -11.707) 12.123 8.387 ( 2.307 -10.291 -12.809) 16.592 9.054 ( -2.365 1.721 25.262) 25.431 9.901 ( -0.346 5.913 19.795) 20.663 10.774 ( 0.988 -13.689 -0.636) 13.740 12.875 ( 6.444 -19.990 7.321) 22.242 15.897 ( 71.109 17.501 -14.835) 74.718 16.515 ( 10.976 -2.988 16.631) 20.149 18.708 ( -76.821 -11.984 -19.403) 80.135 21.141 ( 2.183 2.718 -6.506) 7.381 ======================= Grid point 329 (108/248) ======================= q-point: (-0.10 0.10 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 0.000 15.968 15.045) 21.939 1.634 ( 0.000 0.963 24.680) 24.699 3.493 ( 0.000 4.316 34.860) 35.126 3.673 ( -0.000 -2.045 -6.213) 6.541 3.914 ( 0.000 3.575 23.604) 23.873 4.099 ( -0.000 -14.509 -4.150) 15.091 5.132 ( 0.000 4.641 43.746) 43.992 6.007 ( 0.000 9.543 -4.929) 10.741 7.784 ( -0.000 -2.401 -11.555) 11.802 8.549 ( -0.000 -9.094 -13.180) 16.013 9.016 ( 0.000 0.802 28.822) 28.833 9.817 ( 0.000 5.323 20.031) 20.726 10.976 ( -0.000 -12.732 -0.223) 12.734 13.244 ( -0.000 -25.855 2.717) 25.997 15.795 ( 0.000 40.247 -7.384) 40.919 17.497 ( -0.000 -30.903 -3.682) 31.122 17.782 ( 0.000 1.566 -10.403) 10.520 21.134 ( 0.000 0.940 -6.710) 6.776 ======================= Grid point 332 (109/248) ======================= q-point: ( 0.20 0.20 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -0.154 -0.000 13.405) 13.406 2.051 ( 12.218 0.000 9.243) 15.321 3.463 ( -1.868 -0.000 -13.514) 13.643 3.923 ( 2.663 0.000 16.829) 17.038 4.381 ( 12.369 0.000 31.914) 34.227 4.412 ( 0.576 0.000 0.698) 0.905 4.972 ( -4.343 -0.000 45.278) 45.486 5.982 ( 4.428 0.000 -2.151) 4.923 7.736 ( -3.270 -0.000 -17.473) 17.777 8.202 ( -12.581 -0.000 -5.885) 13.889 9.310 ( 6.761 0.000 25.733) 26.607 9.871 ( 4.593 0.000 16.029) 16.674 10.977 ( -5.487 -0.000 7.649) 9.414 12.021 ( -38.615 -0.000 1.078) 38.630 14.033 ( 4.491 0.000 -10.869) 11.761 16.026 ( -0.706 -0.000 14.778) 14.795 20.684 ( -13.711 -0.000 -7.367) 15.565 21.585 ( 24.768 0.000 -32.822) 41.119 ======================= Grid point 333 (110/248) ======================= q-point: ( 0.30 0.20 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 1.018 -11.814 7.032) 13.786 2.206 ( 6.962 -0.773 6.962) 9.876 3.409 ( -4.574 0.098 -11.579) 12.450 3.954 ( 2.518 2.051 9.557) 10.094 4.374 ( -0.440 4.099 6.811) 7.962 4.510 ( 3.289 -0.243 26.334) 26.540 4.961 ( -1.382 -5.375 47.549) 47.871 6.051 ( 4.706 0.179 -0.939) 4.802 7.696 ( -2.565 -1.137 -19.296) 19.498 8.019 ( -12.832 -0.787 -6.038) 14.203 9.397 ( 6.476 1.596 25.983) 26.826 9.949 ( 5.014 -0.886 13.940) 14.841 10.864 ( -5.230 4.517 8.249) 10.762 11.642 ( -14.819 -1.331 -2.518) 15.090 14.047 ( 4.558 7.052 -9.074) 12.363 16.128 ( 5.106 -9.227 11.050) 15.275 20.462 ( -18.075 -1.551 -8.207) 19.912 21.779 ( 10.287 7.366 -26.493) 29.359 ======================= Grid point 334 (111/248) ======================= q-point: ( 0.40 0.20 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 1.763 -18.659 -0.718) 18.756 2.244 ( -2.851 0.070 7.705) 8.216 3.357 ( -2.559 -0.858 -10.497) 10.838 3.888 ( -0.460 10.585 3.656) 11.208 4.322 ( -2.018 0.037 15.630) 15.759 4.485 ( -6.066 -0.230 22.311) 23.122 5.065 ( 2.625 -6.316 45.302) 45.816 6.109 ( 5.210 1.554 0.256) 5.443 7.710 ( -0.806 -4.446 -20.128) 20.628 7.859 ( -12.034 -2.264 -6.839) 14.025 9.438 ( 4.572 4.446 24.897) 25.701 10.036 ( 5.033 -0.858 13.617) 14.543 10.711 ( -4.175 7.011 6.404) 10.373 11.605 ( 3.013 -4.331 -2.310) 5.759 14.026 ( 9.828 7.886 -5.018) 13.564 16.388 ( 8.825 -11.311 5.970) 15.539 20.197 ( -24.009 -3.518 -10.457) 26.423 21.718 ( 1.254 11.492 -19.085) 22.313 ======================= Grid point 335 (112/248) ======================= q-point: (-0.50 0.20 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 1.080 -16.665 -6.496) 17.918 2.145 ( -9.522 -0.993 10.943) 14.540 3.360 ( 0.115 -1.234 -10.507) 10.580 3.672 ( -2.321 14.704 6.796) 16.364 4.287 ( -5.320 -0.959 18.172) 18.959 4.366 ( -9.259 0.787 17.366) 19.696 5.179 ( 1.832 -4.664 44.047) 44.331 6.174 ( 6.976 1.410 1.060) 7.196 7.735 ( -10.450 -3.276 -7.889) 13.497 7.794 ( 0.106 -7.775 -19.293) 20.801 9.400 ( 1.949 7.339 22.055) 23.326 10.105 ( 3.709 0.599 16.249) 16.678 10.561 ( -2.423 6.707 3.379) 7.892 11.811 ( 11.553 -8.144 1.769) 14.245 14.182 ( 22.384 1.022 -1.528) 22.459 16.661 ( 10.744 -6.181 1.893) 12.539 19.838 ( -34.262 -4.358 -14.012) 37.272 21.540 ( -1.536 11.738 -12.317) 17.084 ======================= Grid point 336 (113/248) ======================= q-point: (-0.40 0.20 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -4.659 0.089 4.789) 6.682 2.104 ( -5.197 -9.232 1.900) 10.763 3.344 ( -1.997 3.028 2.735) 4.543 3.508 ( 3.140 5.339 -1.655) 6.411 4.154 ( -12.560 1.549 20.732) 24.289 4.226 ( -5.960 2.500 12.869) 14.400 5.246 ( 0.471 -2.379 44.122) 44.189 6.266 ( 7.342 1.076 0.953) 7.481 7.653 ( -7.590 -3.930 -9.046) 12.445 7.922 ( 0.105 -9.875 -17.226) 19.856 9.300 ( 0.177 8.528 19.565) 21.344 10.116 ( 1.497 3.320 19.535) 19.871 10.473 ( -0.551 2.108 0.322) 2.203 12.121 ( 10.817 -11.338 7.053) 17.185 14.683 ( 37.995 -10.265 1.752) 39.396 16.855 ( 13.098 3.628 -1.143) 13.640 19.297 ( -48.318 -3.301 -17.057) 51.347 21.375 ( -0.345 9.260 -7.791) 12.106 ======================= Grid point 337 (114/248) ======================= q-point: (-0.30 0.20 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -3.280 2.921 17.708) 18.244 2.094 ( -3.395 4.748 -2.360) 6.296 3.334 ( 1.023 -5.689 11.582) 12.944 3.556 ( 5.344 -0.756 -7.980) 9.633 3.923 ( -12.925 3.494 18.886) 23.151 4.111 ( -3.857 3.575 14.883) 15.785 5.263 ( -0.118 0.159 44.490) 44.491 6.324 ( 4.107 3.561 -0.676) 5.478 7.634 ( -3.301 -4.807 -9.725) 11.340 8.073 ( 0.120 -11.179 -15.068) 18.763 9.180 ( -0.510 7.492 19.401) 20.803 10.064 ( 0.278 5.292 20.724) 21.391 10.490 ( 0.242 -4.675 -1.271) 4.850 12.419 ( 5.658 -13.507 9.923) 17.689 15.546 ( 43.284 -25.339 6.427) 50.566 16.942 ( 20.278 17.775 -5.829) 27.588 18.530 ( -59.929 -0.719 -16.765) 62.234 21.269 ( 0.704 6.373 -5.967) 8.759 ======================= Grid point 338 (115/248) ======================= q-point: (-0.20 0.20 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 0.000 1.860 22.711) 22.787 1.901 ( 0.000 16.347 2.588) 16.551 3.496 ( -0.000 -10.639 17.063) 20.108 3.627 ( -0.000 -1.073 -7.241) 7.320 3.762 ( -0.000 -0.540 12.811) 12.822 4.025 ( 0.000 4.077 17.344) 17.817 5.242 ( 0.000 2.447 44.314) 44.381 6.273 ( 0.000 7.489 -3.076) 8.096 7.683 ( -0.000 -4.713 -10.322) 11.347 8.239 ( -0.000 -11.897 -13.696) 18.142 9.086 ( 0.000 4.916 21.929) 22.473 9.985 ( 0.000 6.023 20.433) 21.303 10.603 ( -0.000 -10.703 -1.632) 10.826 12.667 ( -0.000 -15.967 9.678) 18.671 16.409 ( -0.000 -35.254 16.594) 38.964 16.890 ( 0.000 28.185 -21.849) 35.662 17.843 ( 0.000 2.594 -10.360) 10.680 21.203 ( 0.000 4.174 -5.819) 7.161 ======================= Grid point 343 (116/248) ======================= q-point: ( 0.30 0.30 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 1.158 0.000 5.569) 5.688 2.247 ( -1.547 -0.000 6.319) 6.506 3.344 ( -3.354 -0.000 -10.668) 11.183 4.009 ( 3.142 0.000 7.605) 8.229 4.394 ( -1.694 -0.000 2.213) 2.788 4.465 ( -8.718 -0.000 26.087) 27.505 4.940 ( 3.928 0.000 50.503) 50.656 6.133 ( 5.816 0.000 0.274) 5.822 7.653 ( -1.960 -0.000 -20.382) 20.476 7.817 ( -13.411 -0.000 -5.196) 14.382 9.506 ( 6.532 0.000 26.682) 27.470 10.022 ( 5.740 0.000 12.984) 14.196 10.818 ( -5.143 -0.000 9.835) 11.099 11.543 ( 1.809 0.000 -3.937) 4.333 14.166 ( 4.331 0.000 -11.718) 12.493 16.193 ( 13.200 0.000 7.876) 15.371 20.149 ( -23.651 -0.000 -10.109) 25.721 21.895 ( -0.469 -0.000 -21.119) 21.124 ======================= Grid point 344 (117/248) ======================= q-point: ( 0.40 0.30 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 1.420 -12.619 0.783) 12.723 2.157 ( -9.675 0.541 8.866) 13.134 3.333 ( 1.333 -0.530 -10.544) 10.641 4.013 ( 1.201 6.447 4.157) 7.765 4.276 ( -8.882 1.498 22.090) 23.856 4.370 ( -5.674 -0.531 9.143) 10.774 5.031 ( 2.897 -4.328 47.281) 47.567 6.212 ( 6.090 0.949 1.482) 6.339 7.635 ( -8.005 -1.772 -10.309) 13.172 7.658 ( -5.033 -2.855 -15.362) 16.416 9.569 ( 5.108 3.669 26.035) 26.784 10.109 ( 5.681 -0.157 14.599) 15.667 10.725 ( -4.122 3.285 8.654) 10.133 11.659 ( 10.460 -2.356 -1.837) 10.878 14.217 ( 6.474 0.989 -10.346) 12.245 16.483 ( 20.774 -4.377 1.984) 21.322 19.765 ( -30.928 -1.154 -12.736) 33.468 21.805 ( -5.093 5.516 -14.938) 16.718 ======================= Grid point 345 (118/248) ======================= q-point: (-0.50 0.30 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 1.325 -18.868 -4.228) 19.382 1.986 ( -11.356 0.598 13.473) 17.630 3.384 ( 4.583 0.208 -8.116) 9.323 3.838 ( -3.620 13.085 8.505) 16.021 4.165 ( -8.351 -0.836 15.740) 17.837 4.285 ( -4.349 1.802 8.568) 9.776 5.127 ( 0.773 -5.267 46.066) 46.373 6.289 ( 6.306 0.792 2.537) 6.843 7.525 ( -9.798 -4.211 -5.585) 12.039 7.702 ( -0.062 -5.349 -19.580) 20.298 9.544 ( 2.704 7.696 23.314) 24.699 10.176 ( 4.057 1.147 18.505) 18.979 10.615 ( -2.382 5.261 4.710) 7.452 11.874 ( 10.470 -5.355 3.063) 12.152 14.402 ( 13.400 -8.451 -6.207) 17.015 16.874 ( 26.749 -0.997 -3.971) 27.060 19.261 ( -40.464 -0.215 -15.316) 43.267 21.634 ( -4.252 7.856 -9.588) 13.104 ======================= Grid point 346 (119/248) ======================= q-point: (-0.40 0.30 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 0.851 -9.405 2.079) 9.670 1.863 ( -7.262 -8.417 8.427) 13.950 3.424 ( 3.975 5.764 7.991) 10.625 3.632 ( -1.025 7.283 -3.264) 8.047 4.018 ( -8.731 3.333 11.837) 15.081 4.202 ( -2.689 2.704 11.488) 12.105 5.200 ( 0.007 -4.328 45.673) 45.878 6.366 ( 4.599 0.283 2.935) 5.463 7.481 ( -5.574 -5.599 -6.600) 10.294 7.796 ( 0.023 -7.839 -17.898) 19.539 9.442 ( 0.816 9.890 20.233) 22.536 10.186 ( 1.554 3.232 21.576) 21.872 10.517 ( -0.695 4.943 0.407) 5.009 12.094 ( 5.590 -8.884 7.609) 12.964 14.845 ( 15.992 -22.318 0.732) 27.466 17.277 ( 34.473 6.683 -9.572) 36.396 18.589 ( -48.823 3.227 -15.976) 51.472 21.480 ( -1.444 7.814 -6.468) 10.246 ======================= Grid point 347 (120/248) ======================= q-point: (-0.30 0.30 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 0.000 2.108 20.670) 20.777 2.029 ( -0.000 -10.885 -8.226) 13.643 3.336 ( 0.000 5.591 17.399) 18.275 3.615 ( 0.000 0.154 -12.453) 12.454 3.871 ( 0.000 5.067 15.342) 16.157 4.135 ( 0.000 3.593 13.402) 13.876 5.247 ( -0.000 -2.236 45.350) 45.405 6.392 ( 0.000 1.395 1.742) 2.232 7.525 ( -0.000 -6.181 -7.843) 9.986 7.922 ( -0.000 -9.897 -16.227) 19.007 9.304 ( 0.000 9.849 18.507) 20.964 10.138 ( 0.000 4.668 21.889) 22.381 10.467 ( 0.000 1.161 -1.453) 1.860 12.281 ( -0.000 -11.676 9.847) 15.274 15.391 ( -0.000 -32.729 7.985) 33.689 17.589 ( 0.000 18.389 -18.124) 25.820 17.920 ( 0.000 2.676 -10.317) 10.658 21.367 ( 0.000 7.091 -5.532) 8.994 ======================= Grid point 354 (121/248) ======================= q-point: ( 0.40 0.40 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 1.162 0.000 0.030) 1.162 2.000 ( -11.381 -0.000 12.708) 17.059 3.385 ( 6.028 0.000 -9.348) 11.123 4.086 ( -14.891 -0.000 23.801) 28.075 4.103 ( 3.288 0.000 0.747) 3.372 4.322 ( -3.042 -0.000 3.164) 4.389 5.028 ( 1.066 0.000 49.481) 49.492 6.303 ( 5.410 0.000 2.638) 6.019 7.461 ( -10.245 -0.000 -4.769) 11.301 7.625 ( -0.186 -0.000 -20.114) 20.115 9.669 ( 4.290 0.000 27.047) 27.385 10.189 ( 5.182 0.000 17.378) 18.134 10.687 ( -3.780 -0.000 7.763) 8.635 11.813 ( 11.547 0.000 1.309) 11.621 14.270 ( 2.658 0.000 -12.381) 12.663 16.853 ( 32.618 0.000 -4.159) 32.882 19.259 ( -37.942 -0.000 -14.678) 40.682 21.755 ( -6.095 -0.000 -10.751) 12.359 ======================= Grid point 355 (122/248) ======================= q-point: (-0.50 0.40 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 0.729 -12.834 -2.604) 13.116 1.854 ( -7.314 0.625 17.147) 18.652 3.495 ( 9.362 0.765 -5.283) 10.777 3.844 ( -12.945 4.086 15.838) 20.860 4.124 ( 1.027 3.363 -1.376) 3.776 4.264 ( -2.679 1.681 7.293) 7.949 5.064 ( -0.009 -3.881 49.713) 49.864 6.369 ( 3.680 0.086 3.616) 5.160 7.358 ( -6.040 -2.489 -5.018) 8.237 7.644 ( 0.066 -2.787 -19.329) 19.529 9.677 ( 2.058 5.435 25.768) 26.415 10.245 ( 2.996 0.969 21.601) 21.829 10.630 ( -2.069 1.689 4.100) 4.893 11.958 ( 6.673 -1.125 5.071) 8.456 14.370 ( 3.156 -9.683 -10.411) 14.564 17.380 ( 40.128 1.429 -9.888) 41.353 18.656 ( -44.048 1.220 -15.437) 46.690 21.656 ( -3.334 3.647 -7.626) 9.087 ======================= Grid point 356 (123/248) ======================= q-point: (-0.40 0.40 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -0.000 -19.844 -5.514) 20.596 1.784 ( 0.000 1.366 19.354) 19.402 3.597 ( 0.000 7.752 26.041) 27.170 3.628 ( 0.000 0.605 -17.225) 17.236 4.042 ( 0.000 7.133 1.354) 7.261 4.218 ( 0.000 2.114 10.610) 10.818 5.131 ( -0.000 -5.225 47.726) 48.011 6.400 ( -0.000 -0.177 3.966) 3.970 7.363 ( -0.000 -4.616 -5.628) 7.279 7.703 ( -0.000 -5.394 -18.531) 19.300 9.586 ( 0.000 9.019 22.858) 24.572 10.241 ( 0.000 2.515 23.197) 23.333 10.578 ( 0.000 3.962 1.317) 4.176 12.041 ( -0.000 -4.375 6.950) 8.212 14.624 ( -0.000 -20.629 -4.535) 21.121 17.936 ( 0.000 6.907 -17.673) 18.975 17.984 ( 0.000 1.698 -10.290) 10.430 21.564 ( 0.000 5.925 -6.274) 8.630 ======================= Grid point 366 (124/248) ======================= q-point: (-0.50 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 217 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -0.000 -0.000 -1.923) 1.923 1.804 ( -0.000 -0.000 18.922) 18.922 3.638 ( 0.000 0.000 -19.074) 19.074 3.698 ( -0.000 -0.000 29.650) 29.650 4.179 ( -0.000 -0.000 -7.835) 7.835 4.249 ( -0.000 -0.000 9.524) 9.524 5.033 ( -0.000 -0.000 52.077) 52.077 6.397 ( -0.000 -0.000 3.994) 3.994 7.294 ( -0.000 -0.000 -4.956) 4.956 7.625 ( 0.000 0.000 -19.200) 19.200 9.734 ( -0.000 -0.000 27.070) 27.070 10.277 ( -0.000 -0.000 23.697) 23.697 10.622 ( -0.000 -0.000 2.591) 2.591 12.005 ( -0.000 -0.000 6.562) 6.562 14.310 ( -0.000 -0.000 -12.650) 12.650 18.009 ( -0.000 -0.000 -10.282) 10.282 18.026 ( -0.000 -0.000 -17.266) 17.266 21.655 ( -0.000 -0.000 -6.873) 6.873 ======================= Grid point 412 (125/248) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 0.000 0.000 23.534) 23.534 2.103 ( 0.000 0.000 20.801) 20.801 3.469 ( 0.000 0.000 -9.681) 9.681 4.077 ( 0.000 0.000 27.776) 27.776 4.172 ( 0.000 0.000 -8.863) 8.863 4.550 ( 0.000 0.000 34.285) 34.285 5.767 ( 0.000 0.000 -3.507) 3.507 5.943 ( 0.000 0.000 39.985) 39.985 7.574 ( 0.000 0.000 -11.884) 11.884 8.368 ( 0.000 0.000 -17.487) 17.487 9.619 ( 0.000 0.000 27.525) 27.525 10.138 ( 0.000 0.000 18.893) 18.893 11.215 ( 0.000 0.000 2.449) 2.449 13.668 ( 0.000 0.000 -10.499) 10.499 14.996 ( 0.000 0.000 4.177) 4.177 17.535 ( 0.000 0.000 -11.204) 11.204 17.711 ( 0.000 0.000 -13.766) 13.766 20.966 ( 0.000 0.000 -8.010) 8.010 ======================= Grid point 413 (126/248) ======================= q-point: ( 0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -2.636 -3.740 21.470) 21.952 2.117 ( 1.967 -0.622 20.612) 20.715 3.372 ( -9.834 0.224 -8.803) 13.200 4.103 ( -1.886 7.022 -6.467) 9.731 4.231 ( 16.086 -1.404 24.642) 29.462 4.566 ( 2.529 0.460 31.878) 31.981 5.808 ( 1.275 -4.203 -1.503) 4.642 5.967 ( -0.127 -3.420 38.096) 38.250 7.555 ( -1.574 1.012 -12.217) 12.359 8.311 ( -3.215 4.518 -16.820) 17.711 9.622 ( 2.028 1.656 26.531) 26.660 10.163 ( 0.434 -2.841 18.669) 18.889 11.141 ( -0.719 9.174 1.843) 9.385 13.527 ( -2.983 17.312 -3.911) 17.997 14.837 ( -45.654 -24.156 -5.828) 51.978 16.851 ( -34.089 2.256 2.344) 34.244 18.591 ( 70.623 6.525 -21.683) 74.165 20.948 ( -3.500 -1.095 -7.702) 8.531 ======================= Grid point 414 (127/248) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 704 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -4.603 -5.945 15.706) 17.413 2.195 ( 5.180 -3.347 19.053) 20.026 3.244 ( -6.461 0.327 -10.742) 12.539 3.938 ( -1.915 11.503 -4.300) 12.429 4.503 ( 16.685 -0.928 22.660) 28.155 4.614 ( 4.999 -0.399 28.458) 28.896 5.904 ( 0.893 -6.405 4.137) 7.677 6.025 ( -0.384 -4.823 33.113) 33.465 7.503 ( -2.767 1.487 -13.177) 13.546 8.164 ( -4.957 7.158 -15.688) 17.943 9.630 ( 3.609 3.001 24.047) 24.501 10.222 ( 0.190 -4.414 18.057) 18.590 10.961 ( -0.581 13.962 0.950) 14.006 13.081 ( -23.067 18.412 3.327) 29.701 14.429 ( -49.036 -20.583 -12.920) 54.727 16.584 ( -8.117 -4.423 9.397) 13.181 19.433 ( 61.226 10.983 -24.047) 66.690 20.900 ( -6.662 -2.846 -7.290) 10.277 ======================= Grid point 415 (128/248) ======================= q-point: ( 0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -2.946 -7.534 7.170) 10.810 2.351 ( 6.935 -5.276 16.237) 18.427 3.176 ( -2.329 0.717 -13.026) 13.252 3.743 ( -0.855 12.556 -2.242) 12.783 4.656 ( 5.990 -0.330 22.925) 23.696 4.780 ( 12.501 -1.392 22.923) 26.148 5.996 ( -0.671 -5.796 8.311) 10.155 6.078 ( -0.933 -3.669 31.093) 31.323 7.452 ( -2.185 -0.257 -14.894) 15.055 7.981 ( -5.148 7.921 -15.344) 18.019 9.646 ( 4.794 3.276 21.153) 21.935 10.279 ( -1.246 -4.407 16.673) 17.290 10.758 ( -0.048 13.276 0.814) 13.301 12.422 ( -35.733 9.994 -0.270) 37.105 14.081 ( -25.747 -7.496 -3.776) 27.080 16.626 ( -1.547 -8.474 6.483) 10.781 20.043 ( 46.202 13.166 -20.904) 52.392 20.840 ( -9.397 -5.318 -8.118) 13.509 ======================= Grid point 416 (129/248) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 704 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -0.475 -6.202 -1.237) 6.342 2.515 ( 5.341 -4.103 14.331) 15.835 3.143 ( -0.872 0.821 -14.324) 14.374 3.580 ( 0.005 8.825 -0.092) 8.826 4.744 ( 4.310 -1.142 20.287) 20.771 4.934 ( 6.625 -0.281 20.548) 21.591 6.034 ( -1.866 -2.192 2.697) 3.944 6.107 ( -0.550 -2.299 40.133) 40.203 7.467 ( 0.302 -3.796 -17.273) 17.688 7.800 ( -4.327 7.507 -15.672) 17.908 9.678 ( 4.632 2.063 19.234) 19.891 10.305 ( -2.725 -3.415 13.933) 14.602 10.596 ( -0.334 8.943 0.682) 8.975 11.874 ( -23.449 3.914 -4.346) 24.168 13.885 ( -10.432 -1.603 5.312) 11.816 16.723 ( -0.311 -5.922 2.745) 6.535 20.410 ( 29.218 12.005 -13.341) 34.289 20.780 ( -10.964 -7.231 -12.398) 18.062 ======================= Grid point 417 (130/248) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 0.000 -0.000 -4.887) 4.887 2.588 ( 0.000 -0.000 13.999) 13.999 3.129 ( -0.000 -0.000 -14.808) 14.808 3.514 ( 0.000 -0.000 0.987) 0.987 4.789 ( -0.000 -0.000 18.819) 18.819 4.982 ( 0.000 -0.000 19.758) 19.758 6.030 ( 0.000 -0.000 1.865) 1.865 6.121 ( 0.000 -0.000 42.755) 42.755 7.526 ( 0.000 -0.000 -19.266) 19.266 7.687 ( -0.000 0.000 -15.122) 15.122 9.703 ( 0.000 -0.000 18.927) 18.927 10.307 ( 0.000 -0.000 11.924) 11.924 10.522 ( -0.000 -0.000 0.131) 0.131 11.673 ( 0.000 -0.000 -4.897) 4.897 13.821 ( 0.000 -0.000 8.497) 8.497 16.765 ( 0.000 -0.000 1.307) 1.307 20.546 ( 0.000 0.000 -4.893) 4.893 20.742 ( -0.000 -0.000 -19.386) 19.386 ======================= Grid point 424 (131/248) ======================= q-point: ( 0.10 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -4.221 -0.000 21.536) 21.945 2.144 ( 3.021 0.000 20.187) 20.412 3.248 ( -6.368 -0.000 -10.880) 12.606 4.116 ( -2.774 -0.000 -4.900) 5.631 4.485 ( 18.652 0.000 24.221) 30.570 4.609 ( 2.720 0.000 28.018) 28.150 5.815 ( 3.394 0.000 -2.409) 4.161 5.937 ( -0.555 -0.000 40.580) 40.584 7.528 ( -3.187 -0.000 -13.209) 13.588 8.271 ( -6.452 -0.000 -15.438) 16.732 9.677 ( 3.763 0.000 25.914) 26.186 10.154 ( 1.018 0.000 18.157) 18.185 11.188 ( -1.910 -0.000 3.567) 4.046 13.705 ( 2.452 0.000 -10.834) 11.108 13.743 ( -69.241 -0.000 -2.168) 69.275 16.521 ( -14.533 -0.000 10.495) 17.927 19.608 ( 61.365 0.000 -27.207) 67.125 20.862 ( -7.228 -0.000 -8.390) 11.074 ======================= Grid point 425 (132/248) ======================= q-point: ( 0.20 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -4.948 -3.498 17.309) 18.339 2.227 ( 6.083 -2.665 17.953) 19.142 3.189 ( -2.132 0.215 -13.268) 13.440 4.035 ( -2.061 6.111 -3.785) 7.477 4.643 ( 2.174 -0.397 24.307) 24.407 4.744 ( 15.053 -0.790 23.496) 27.915 5.883 ( 3.673 -1.419 5.728) 6.951 5.957 ( -0.287 -3.821 34.444) 34.656 7.466 ( -4.443 0.633 -14.433) 15.115 8.138 ( -8.280 2.924 -13.730) 16.298 9.728 ( 4.914 1.799 24.003) 24.567 10.184 ( 0.851 -1.942 16.964) 17.096 11.096 ( -2.652 7.715 3.666) 8.944 12.698 ( -55.636 8.016 -2.734) 56.277 13.816 ( -4.438 -8.616 -9.978) 13.910 16.412 ( -5.640 -4.803 12.512) 14.541 20.345 ( 45.766 6.391 -25.806) 52.928 20.744 ( -10.070 -1.637 -9.903) 14.218 ======================= Grid point 426 (133/248) ======================= q-point: ( 0.30 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -3.198 -7.970 9.148) 12.547 2.379 ( 6.950 -4.259 15.704) 17.693 3.161 ( -1.502 0.416 -14.311) 14.395 3.894 ( -0.972 10.263 -3.339) 10.836 4.686 ( 1.070 -2.339 21.593) 21.746 4.926 ( 8.466 -0.202 21.663) 23.260 5.955 ( 2.301 -2.832 22.103) 22.402 6.020 ( 1.030 -3.305 20.608) 20.897 7.399 ( -3.902 -0.757 -15.963) 16.450 7.966 ( -8.399 3.825 -12.917) 15.876 9.768 ( 5.290 3.195 21.647) 22.512 10.220 ( -0.334 -2.280 14.494) 14.676 10.914 ( -3.262 11.192 2.540) 11.931 11.958 ( -34.812 2.260 -4.376) 35.159 13.833 ( -2.462 -1.880 -3.947) 5.017 16.470 ( -1.364 -9.596 9.292) 13.427 20.563 ( -11.795 -2.180 -6.680) 13.729 20.818 ( 28.350 9.115 -25.308) 39.080 ======================= Grid point 427 (134/248) ======================= q-point: ( 0.40 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -0.943 -10.344 0.275) 10.390 2.512 ( 2.377 -3.686 14.882) 15.515 3.130 ( -2.049 -0.000 -14.611) 14.754 3.727 ( -0.415 11.562 -1.917) 11.727 4.731 ( -1.150 -3.499 18.917) 19.272 4.988 ( 0.399 0.375 20.347) 20.355 6.027 ( 2.796 -1.582 18.980) 19.250 6.071 ( 1.515 -1.881 26.054) 26.166 7.398 ( -1.135 -4.639 -17.943) 18.568 7.796 ( -7.400 3.711 -13.071) 15.471 9.776 ( 2.202 4.276 19.402) 19.989 10.252 ( 1.476 -2.231 11.376) 11.686 10.706 ( -3.490 10.363 1.200) 11.000 11.642 ( -8.810 -1.914 -4.155) 9.927 13.832 ( 2.487 0.747 2.607) 3.679 16.608 ( 0.487 -9.628 4.552) 10.660 20.381 ( -20.604 -5.770 -9.123) 23.260 21.011 ( 18.967 12.003 -18.335) 28.982 ======================= Grid point 428 (135/248) ======================= q-point: (-0.50 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 0.342 -7.054 -4.680) 8.472 2.534 ( -4.717 -2.103 14.055) 14.974 3.117 ( -0.478 -1.061 -14.120) 14.168 3.573 ( -0.563 8.358 0.623) 8.401 4.730 ( -4.999 -2.223 17.719) 18.545 4.938 ( -6.403 0.108 20.459) 21.438 6.080 ( 4.436 0.843 8.919) 9.997 6.122 ( 2.215 -0.892 36.200) 36.279 7.482 ( 0.371 -5.879 -19.269) 20.149 7.663 ( -4.728 0.839 -13.254) 14.097 9.705 ( -2.770 4.211 16.923) 17.658 10.336 ( 5.066 -1.849 12.166) 13.308 10.546 ( -1.968 6.090 1.461) 6.565 11.732 ( 12.665 -5.952 -3.158) 14.346 13.919 ( 11.944 0.703 4.825) 12.901 16.730 ( 1.017 -5.330 1.316) 5.584 20.114 ( -30.298 -8.021 -12.780) 33.847 21.058 ( 11.346 11.400 -11.705) 19.892 ======================= Grid point 429 (136/248) ======================= q-point: (-0.40 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 1.859 0.192 -2.181) 2.873 2.451 ( -8.092 0.288 12.546) 14.932 3.147 ( 2.292 -1.385 -12.373) 12.659 3.504 ( -0.480 -0.609 1.912) 2.063 4.656 ( -7.354 -0.545 18.929) 20.315 4.803 ( -11.834 0.151 21.820) 24.823 6.132 ( 2.804 0.443 23.882) 24.050 6.149 ( 4.644 3.869 18.577) 19.535 7.485 ( -2.328 1.120 -15.729) 15.940 7.718 ( 1.442 -9.670 -16.062) 18.804 9.609 ( -3.799 1.880 16.858) 17.383 10.406 ( 3.801 2.791 16.905) 17.550 10.490 ( -1.601 -2.888 -0.501) 3.340 12.136 ( 24.408 -10.520 0.796) 26.591 14.195 ( 28.836 0.634 0.271) 28.844 16.776 ( 0.866 0.837 0.808) 1.450 19.706 ( -43.455 -9.357 -16.731) 47.495 21.045 ( 7.454 9.011 -7.159) 13.711 ======================= Grid point 430 (137/248) ======================= q-point: (-0.30 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 4.628 5.183 5.115) 8.628 2.302 ( -8.467 3.074 14.166) 16.787 3.227 ( 6.419 -0.990 -10.217) 12.106 3.584 ( 0.289 -10.267 -0.054) 10.271 4.527 ( -12.188 0.704 20.240) 23.636 4.623 ( -9.645 0.066 25.454) 27.221 6.113 ( 0.832 4.971 34.716) 35.080 6.154 ( 3.749 5.545 4.022) 7.809 7.463 ( -0.043 -1.102 -13.284) 13.330 7.898 ( 2.214 -11.081 -16.361) 19.884 9.553 ( -3.040 -1.108 19.197) 19.468 10.374 ( 1.460 5.848 18.150) 19.125 10.574 ( -1.109 -10.670 -1.135) 10.787 12.644 ( 19.086 -13.755 7.668) 24.744 14.770 ( 53.605 2.954 -10.184) 54.644 16.738 ( 0.568 5.178 3.404) 6.222 19.108 ( -57.667 -9.868 -19.125) 61.552 21.029 ( 5.200 6.260 -5.346) 9.737 ======================= Grid point 431 (138/248) ======================= q-point: (-0.20 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 4.692 7.731 11.637) 14.737 2.153 ( -5.745 1.892 18.375) 19.345 3.357 ( 8.861 -0.920 -8.842) 12.552 3.773 ( 0.867 -14.173 -3.327) 14.584 4.292 ( -14.174 2.542 23.260) 27.357 4.544 ( -3.477 -0.948 28.687) 28.912 6.022 ( 0.521 9.132 14.329) 17.000 6.103 ( 0.600 5.524 22.006) 22.697 7.502 ( 0.998 -2.577 -11.966) 12.281 8.084 ( 1.813 -10.754 -16.471) 19.754 9.548 ( -1.753 -2.806 22.466) 22.709 10.299 ( 0.242 6.141 18.645) 19.632 10.749 ( -0.310 -15.091 -1.565) 15.175 13.040 ( 7.328 -15.270 9.397) 19.369 15.536 ( 59.032 17.071 -19.785) 64.558 16.744 ( 11.497 -3.278 6.660) 13.686 18.327 ( -67.012 -9.176 -17.747) 69.927 21.017 ( 2.908 3.942 -5.503) 7.367 ======================= Grid point 432 (139/248) ======================= q-point: (-0.10 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 0.000 7.456 17.615) 19.128 2.103 ( 0.000 0.047 20.202) 20.202 3.455 ( -0.000 -1.015 -9.510) 9.564 3.975 ( -0.000 -12.438 -5.755) 13.705 4.127 ( 0.000 2.899 25.783) 25.946 4.534 ( -0.000 -0.995 31.919) 31.934 5.893 ( 0.000 8.494 2.585) 8.878 6.030 ( 0.000 5.065 33.244) 33.627 7.545 ( -0.000 -2.026 -11.721) 11.895 8.238 ( -0.000 -8.615 -16.971) 19.032 9.576 ( -0.000 -2.772 25.295) 25.447 10.218 ( 0.000 5.151 18.750) 19.445 10.968 ( -0.000 -15.095 -0.447) 15.102 13.311 ( -0.000 -16.602 4.265) 17.141 15.600 ( 0.000 31.783 -10.873) 33.591 17.374 ( -0.000 -22.376 -7.775) 23.688 17.558 ( 0.000 1.594 -11.182) 11.295 20.996 ( 0.000 2.251 -6.587) 6.961 ======================= Grid point 435 (140/248) ======================= q-point: ( 0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -5.617 -0.000 15.694) 16.669 2.313 ( 8.084 0.000 15.553) 17.529 3.167 ( -1.719 -0.000 -14.206) 14.309 4.051 ( -1.495 -0.000 -3.379) 3.695 4.648 ( -0.358 -0.000 20.555) 20.558 4.923 ( 9.415 0.000 22.567) 24.452 5.912 ( -0.652 -0.000 43.100) 43.105 5.961 ( 6.468 0.000 0.689) 6.505 7.396 ( -5.411 -0.000 -15.542) 16.457 8.018 ( -10.500 -0.000 -11.422) 15.515 9.818 ( 5.572 0.000 22.816) 23.486 10.186 ( 0.914 0.000 14.830) 14.858 11.094 ( -4.838 -0.000 4.353) 6.508 11.996 ( -41.093 -0.000 -3.713) 41.260 13.801 ( 3.888 0.000 -11.592) 12.227 16.313 ( -2.497 -0.000 13.676) 13.902 20.524 ( -15.190 -0.000 -8.382) 17.349 20.969 ( 30.691 0.000 -27.185) 41.000 ======================= Grid point 436 (141/248) ======================= q-point: ( 0.30 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( -4.448 -6.076 9.839) 12.390 2.433 ( 5.445 -1.577 14.325) 15.406 3.130 ( -3.326 -0.026 -14.189) 14.573 3.995 ( -0.724 5.535 -3.700) 6.697 4.644 ( -1.944 -1.843 17.881) 18.081 4.998 ( 0.783 0.228 21.329) 21.345 5.933 ( 1.138 -2.716 43.704) 43.803 6.063 ( 6.771 0.041 2.873) 7.355 7.325 ( -4.392 -0.843 -16.736) 17.323 7.853 ( -10.989 0.667 -9.901) 14.806 9.883 ( 5.137 2.410 20.855) 21.613 10.208 ( 1.746 -0.854 11.589) 11.750 10.973 ( -4.946 6.174 2.725) 8.367 11.593 ( -15.198 -1.070 -2.563) 15.450 13.854 ( 3.877 0.576 -9.497) 10.274 16.349 ( 1.305 -6.174 10.859) 12.559 20.274 ( -20.943 -1.832 -10.359) 23.437 21.278 ( 17.844 5.483 -21.983) 28.839 ======================= Grid point 437 (142/248) ======================= q-point: ( 0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 704 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -2.128 -11.822 1.836) 12.152 2.482 ( -2.056 -1.220 14.518) 14.714 3.089 ( -2.140 -0.766 -13.968) 14.152 3.876 ( -0.423 9.946 -3.153) 10.442 4.641 ( -3.726 -3.194 16.124) 16.854 4.944 ( -7.264 0.234 20.927) 22.153 6.011 ( 2.242 -3.999 43.181) 43.424 6.149 ( 7.087 1.674 4.405) 8.510 7.314 ( -1.522 -4.114 -18.185) 18.706 7.692 ( -10.189 0.090 -9.418) 13.875 9.873 ( 1.607 6.320 17.266) 18.457 10.284 ( 6.236 -1.695 11.023) 12.778 10.800 ( -2.727 9.733 2.560) 10.426 11.564 ( 4.307 -5.175 -1.953) 7.011 13.924 ( 7.555 -0.269 -4.906) 9.012 16.502 ( 4.188 -8.593 5.433) 10.995 19.958 ( -28.175 -3.335 -12.881) 31.159 21.361 ( 8.803 8.821 -15.339) 19.763 ======================= Grid point 438 (143/248) ======================= q-point: (-0.50 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 0.256 -13.193 -3.923) 13.766 2.417 ( -7.852 -0.882 14.394) 16.420 3.103 ( 1.800 -1.498 -12.612) 12.828 3.712 ( -0.674 11.664 -0.574) 11.697 4.614 ( -5.649 -2.348 15.466) 16.632 4.797 ( -12.530 -0.333 21.138) 24.575 6.090 ( 1.519 -2.979 40.830) 40.967 6.233 ( 8.459 2.312 6.061) 10.660 7.391 ( 0.308 -7.006 -19.108) 20.355 7.563 ( -8.214 -1.509 -9.463) 12.621 9.769 ( -0.580 8.530 14.345) 16.700 10.394 ( 5.283 -0.231 10.734) 11.966 10.638 ( -0.669 8.863 5.691) 10.554 11.835 ( 16.557 -10.138 0.216) 19.415 14.133 ( 18.487 -4.520 -3.121) 19.285 16.683 ( 5.693 -6.000 0.439) 8.282 19.531 ( -38.084 -3.547 -15.749) 41.364 21.320 ( 4.384 9.526 -9.106) 13.888 ======================= Grid point 439 (144/248) ======================= q-point: (-0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 704 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 2.931 -8.802 -3.990) 10.099 2.307 ( -9.015 -1.453 13.295) 16.129 3.183 ( 6.011 -1.751 -10.111) 11.893 3.553 ( -0.814 8.129 2.301) 8.487 4.538 ( -8.250 -0.093 16.594) 18.532 4.610 ( -12.554 -0.959 22.079) 25.417 6.137 ( 0.607 -1.487 39.629) 39.662 6.315 ( 8.037 4.006 4.840) 10.201 7.430 ( -4.194 -1.885 -13.383) 14.151 7.580 ( -0.422 -10.346 -15.188) 18.382 9.638 ( -1.177 7.438 14.148) 16.027 10.427 ( 0.389 0.340 2.818) 2.865 10.544 ( 1.519 6.037 14.615) 15.885 12.261 ( 16.550 -13.361 6.577) 22.264 14.634 ( 36.194 -11.161 -6.176) 38.376 16.816 ( 6.504 0.295 -2.632) 7.023 18.939 ( -49.155 -2.320 -17.488) 52.225 21.243 ( 2.883 8.392 -5.110) 10.239 ======================= Grid point 440 (145/248) ======================= q-point: (-0.30 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 5.298 -1.340 0.969) 5.550 2.196 ( -8.047 -0.107 13.234) 15.489 3.316 ( 7.802 -1.979 -8.556) 11.748 3.492 ( -0.505 -1.738 2.595) 3.164 4.355 ( -12.029 1.684 21.212) 24.443 4.516 ( -4.105 -1.034 22.328) 22.726 6.148 ( 0.084 0.666 39.991) 39.997 6.325 ( 4.100 7.757 0.758) 8.806 7.419 ( -1.622 -3.243 -11.364) 11.928 7.748 ( 0.514 -12.246 -16.372) 20.452 9.541 ( -1.009 3.705 16.111) 16.562 10.447 ( -0.542 -4.603 -1.249) 4.800 10.479 ( 0.841 6.053 18.160) 19.160 12.638 ( 8.051 -13.846 11.939) 19.976 15.481 ( 48.276 -19.001 -11.765) 53.198 16.848 ( 6.487 9.190 -3.599) 11.811 18.189 ( -54.484 -0.333 -16.162) 56.831 21.171 ( 1.849 6.732 -3.693) 7.898 ======================= Grid point 441 (146/248) ======================= q-point: (-0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 0.000 6.074 3.994) 7.269 2.110 ( 0.000 0.541 18.650) 18.658 3.414 ( -0.000 -1.809 -9.299) 9.474 3.589 ( -0.000 -11.485 -0.065) 11.485 4.218 ( 0.000 3.021 23.916) 24.106 4.502 ( -0.000 -1.150 25.764) 25.790 6.119 ( 0.000 3.803 38.919) 39.104 6.222 ( 0.000 9.775 -1.336) 9.866 7.463 ( -0.000 -3.703 -11.167) 11.765 7.929 ( -0.000 -12.426 -16.409) 20.583 9.510 ( -0.000 -0.425 19.366) 19.371 10.393 ( 0.000 6.667 19.068) 20.200 10.556 ( -0.000 -11.096 -2.646) 11.407 12.888 ( -0.000 -13.812 12.635) 18.720 16.265 ( -0.000 -7.492 -25.980) 27.039 16.749 ( 0.000 0.643 4.613) 4.658 17.620 ( 0.000 2.634 -11.128) 11.435 21.101 ( 0.000 5.215 -4.095) 6.631 ======================= Grid point 446 (147/248) ======================= q-point: ( 0.30 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -4.317 -0.000 7.329) 8.506 2.464 ( -0.462 -0.000 14.098) 14.106 3.078 ( -2.818 -0.000 -13.823) 14.107 4.027 ( -0.269 -0.000 -4.036) 4.045 4.593 ( -3.092 -0.000 14.616) 14.939 4.948 ( -7.717 -0.000 21.315) 22.669 5.941 ( 2.682 0.000 44.830) 44.910 6.176 ( 8.048 0.000 4.294) 9.122 7.261 ( -3.169 -0.000 -17.632) 17.914 7.686 ( -11.915 -0.000 -7.603) 14.134 9.983 ( 5.481 0.000 19.614) 20.365 10.250 ( 5.308 0.000 9.540) 10.918 10.964 ( -2.517 -0.000 4.012) 4.736 11.483 ( 0.922 0.000 -1.672) 1.909 13.916 ( 3.826 0.000 -12.340) 12.920 16.361 ( 6.680 0.000 8.814) 11.060 19.913 ( -27.253 -0.000 -13.050) 30.216 21.495 ( 7.541 0.000 -17.500) 19.056 ======================= Grid point 447 (148/248) ======================= q-point: ( 0.40 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -2.673 -8.601 1.886) 9.202 2.409 ( -6.632 0.016 14.583) 16.020 3.072 ( 1.728 -0.595 -13.060) 13.187 3.985 ( -0.084 5.713 -4.179) 7.079 4.553 ( -3.679 -1.266 13.042) 13.610 4.790 ( -13.538 -0.183 21.508) 25.415 6.001 ( 2.647 -2.343 44.429) 44.569 6.286 ( 8.224 1.165 5.758) 10.107 7.247 ( -0.927 -2.584 -18.593) 18.795 7.523 ( -11.209 -1.111 -6.568) 13.039 10.007 ( 3.712 6.473 16.784) 18.368 10.368 ( 8.260 -1.713 11.090) 13.933 10.884 ( -2.414 6.039 6.624) 9.283 11.618 ( 12.836 -4.214 -2.101) 13.672 13.996 ( 5.535 -3.682 -11.006) 12.858 16.532 ( 12.603 -3.354 3.022) 13.387 19.473 ( -34.537 -0.872 -15.724) 37.958 21.526 ( 1.898 4.171 -11.984) 12.830 ======================= Grid point 448 (149/248) ======================= q-point: (-0.50 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -0.493 -15.029 -3.212) 15.377 2.296 ( -7.746 0.337 15.073) 16.950 3.143 ( 6.266 -1.003 -11.415) 13.060 3.863 ( -0.624 10.595 -2.192) 10.837 4.517 ( -4.056 -1.164 12.742) 13.422 4.582 ( -15.178 -0.869 21.395) 26.247 6.067 ( 1.199 -2.826 43.067) 43.176 6.387 ( 8.294 1.503 6.918) 10.905 7.305 ( 0.265 -5.585 -19.075) 19.878 7.401 ( -8.945 -2.871 -6.540) 11.447 9.920 ( 1.719 10.799 14.005) 17.768 10.485 ( 5.966 1.315 10.037) 11.751 10.746 ( -1.949 7.887 9.640) 12.607 11.930 ( 15.471 -8.736 2.416) 17.931 14.244 ( 13.101 -14.022 -9.106) 21.241 16.792 ( 17.956 -1.213 -3.742) 18.382 18.923 ( -42.194 0.240 -17.578) 45.710 21.462 ( 0.286 6.289 -7.072) 9.468 ======================= Grid point 449 (150/248) ======================= q-point: (-0.40 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 1.180 -16.726 -5.765) 17.731 2.192 ( -5.371 0.630 15.675) 16.582 3.267 ( 7.611 -1.381 -9.841) 12.517 3.684 ( -1.329 11.885 1.599) 12.066 4.380 ( -11.423 -0.010 20.157) 23.169 4.487 ( -3.070 -1.000 15.479) 15.812 6.115 ( 0.281 -2.428 41.236) 41.309 6.468 ( 5.772 2.574 6.945) 9.391 7.322 ( -4.663 -3.434 -10.006) 11.561 7.434 ( -0.018 -9.247 -16.144) 18.605 9.772 ( 0.348 11.535 12.891) 17.302 10.482 ( 1.194 5.614 0.713) 5.784 10.639 ( 0.187 5.257 18.031) 18.783 12.260 ( 8.617 -11.958 8.927) 17.232 14.776 ( 18.367 -26.945 -7.642) 33.493 17.072 ( 24.367 5.530 -10.189) 26.984 18.249 ( -46.129 3.143 -16.900) 49.228 21.372 ( 0.390 6.890 -4.083) 8.019 ======================= Grid point 450 (151/248) ======================= q-point: (-0.30 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -0.000 -12.759 -6.195) 14.184 2.134 ( 0.000 1.131 16.924) 16.962 3.359 ( -0.000 -1.889 -9.777) 9.958 3.525 ( 0.000 7.507 4.446) 8.725 4.279 ( 0.000 1.138 21.591) 21.621 4.474 ( -0.000 -0.777 18.273) 18.290 6.144 ( -0.000 -1.304 40.123) 40.144 6.455 ( 0.000 5.514 4.402) 7.055 7.345 ( -0.000 -4.369 -10.007) 10.919 7.582 ( -0.000 -11.346 -16.498) 20.023 9.625 ( 0.000 8.831 13.600) 16.215 10.425 ( 0.000 1.992 -2.412) 3.128 10.570 ( 0.000 5.537 19.930) 20.685 12.502 ( -0.000 -13.407 12.335) 18.218 15.406 ( -0.000 -35.426 -6.752) 36.063 17.225 ( 0.000 16.360 -16.915) 23.532 17.698 ( 0.000 2.708 -11.071) 11.397 21.279 ( 0.000 6.912 -3.131) 7.588 ======================= Grid point 457 (152/248) ======================= q-point: ( 0.40 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -2.125 -0.000 -0.266) 2.142 2.303 ( -7.329 -0.000 15.117) 16.799 3.129 ( 6.418 0.000 -12.028) 13.633 4.029 ( 0.271 0.000 -5.143) 5.150 4.498 ( -2.932 -0.000 10.952) 11.337 4.566 ( -16.096 -0.000 22.133) 27.367 6.019 ( 1.918 0.000 45.104) 45.145 6.409 ( 7.473 0.000 7.409) 10.523 7.222 ( 0.079 0.000 -19.127) 19.127 7.357 ( -9.979 -0.000 -5.319) 11.308 10.118 ( 3.498 0.000 16.927) 17.284 10.478 ( 8.580 0.000 10.935) 13.900 10.876 ( -4.418 -0.000 10.564) 11.451 11.815 ( 16.867 0.000 -0.996) 16.896 14.009 ( 2.355 0.000 -12.843) 13.057 16.773 ( 22.943 0.000 -3.350) 23.187 18.928 ( -39.883 -0.000 -17.600) 43.594 21.557 ( -0.898 -0.000 -8.373) 8.422 ======================= Grid point 458 (153/248) ======================= q-point: (-0.50 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -0.776 -10.336 -3.177) 10.841 2.212 ( -4.510 0.479 15.579) 16.226 3.240 ( 7.370 -0.511 -11.247) 13.457 3.982 ( -0.331 6.896 -3.908) 7.933 4.358 ( -12.158 -1.133 21.914) 25.086 4.466 ( -1.828 -0.379 10.776) 10.937 6.050 ( 0.700 -1.533 44.755) 44.786 6.501 ( 5.296 0.315 8.730) 10.216 7.242 ( -3.279 -1.907 -13.091) 13.630 7.255 ( -2.650 -3.095 -11.725) 12.413 10.091 ( 1.663 8.580 15.073) 17.424 10.594 ( 6.609 0.769 9.258) 11.401 10.780 ( -4.601 3.333 13.453) 14.604 12.045 ( 10.690 -2.555 3.730) 11.607 14.141 ( 3.422 -14.358 -11.799) 18.897 17.166 ( 31.652 1.481 -10.752) 33.461 18.317 ( -42.649 1.304 -17.423) 46.089 21.520 ( -0.801 2.961 -5.514) 6.310 ======================= Grid point 459 (154/248) ======================= q-point: (-0.40 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -0.000 -16.801 -5.122) 17.564 2.167 ( 0.000 0.999 15.916) 15.947 3.315 ( -0.000 -1.125 -11.017) 11.074 3.840 ( 0.000 11.433 0.306) 11.437 4.281 ( -0.000 -0.988 20.557) 20.581 4.457 ( -0.000 -0.446 12.240) 12.248 6.082 ( -0.000 -2.342 43.112) 43.176 6.537 ( 0.000 0.887 8.930) 8.974 7.233 ( -0.000 -3.172 -7.842) 8.459 7.323 ( -0.000 -6.513 -17.614) 18.780 9.949 ( 0.000 12.253 13.387) 18.148 10.593 ( 0.000 6.797 0.261) 6.802 10.694 ( 0.000 3.065 20.712) 20.937 12.187 ( -0.000 -7.152 7.794) 10.578 14.486 ( -0.000 -27.464 -9.039) 28.913 17.549 ( 0.000 6.900 -19.803) 20.970 17.763 ( 0.000 1.713 -11.033) 11.165 21.457 ( 0.000 5.067 -4.106) 6.522 ======================= Grid point 469 (155/248) ======================= q-point: (-0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -0.000 -0.000 -3.337) 3.337 2.182 ( -0.000 -0.000 15.684) 15.684 3.299 ( -0.000 -0.000 -11.745) 11.745 4.035 ( -0.000 -0.000 -5.841) 5.841 4.247 ( 0.000 0.000 23.968) 23.968 4.450 ( -0.000 -0.000 9.907) 9.907 6.044 ( -0.000 -0.000 45.568) 45.568 6.543 ( -0.000 -0.000 9.611) 9.611 7.185 ( -0.000 -0.000 -5.528) 5.528 7.230 ( 0.000 0.000 -19.431) 19.431 10.171 ( -0.000 -0.000 15.826) 15.826 10.675 ( -0.000 -0.000 2.720) 2.720 10.738 ( -0.000 -0.000 21.010) 21.010 12.118 ( -0.000 -0.000 4.717) 4.717 14.044 ( -0.000 -0.000 -13.023) 13.023 17.641 ( -0.000 -0.000 -20.023) 20.023 17.788 ( -0.000 -0.000 -11.021) 11.021 21.534 ( -0.000 -0.000 -4.901) 4.901 ======================= Grid point 515 (156/248) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 217 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 0.000 0.000 21.156) 21.156 2.423 ( 0.000 0.000 9.580) 9.580 3.363 ( 0.000 0.000 0.018) 0.018 3.975 ( 0.000 0.000 -10.200) 10.200 4.560 ( 0.000 0.000 19.369) 19.369 5.229 ( 0.000 0.000 31.674) 31.674 5.709 ( 0.000 0.000 -2.076) 2.076 6.641 ( 0.000 0.000 27.805) 27.805 7.342 ( 0.000 0.000 -10.427) 10.427 7.985 ( 0.000 0.000 -19.672) 19.672 10.109 ( 0.000 0.000 20.029) 20.029 10.485 ( 0.000 0.000 14.653) 14.653 11.271 ( 0.000 0.000 2.839) 2.839 13.463 ( 0.000 0.000 -9.201) 9.201 15.111 ( 0.000 0.000 6.813) 6.813 17.317 ( 0.000 0.000 -9.688) 9.688 17.428 ( 0.000 0.000 -13.529) 13.529 20.811 ( 0.000 0.000 -6.834) 6.834 ======================= Grid point 516 (157/248) ======================= q-point: ( 0.10 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( -3.888 0.031 19.585) 19.967 2.441 ( 2.847 0.128 9.755) 10.163 3.264 ( -11.449 0.033 -0.271) 11.452 3.930 ( -0.724 5.352 -9.274) 10.732 4.681 ( 13.838 -0.777 18.421) 23.052 5.209 ( -0.888 1.422 29.594) 29.641 5.766 ( 2.892 -4.346 -0.873) 5.293 6.660 ( 0.027 -2.523 27.563) 27.678 7.320 ( -2.091 0.997 -10.345) 10.601 7.939 ( -2.079 4.171 -19.131) 19.691 10.096 ( 1.102 2.983 19.364) 19.624 10.507 ( 0.155 -2.765 14.599) 14.859 11.182 ( 0.125 11.811 2.026) 11.984 13.451 ( -1.399 2.912 -3.419) 4.703 14.728 ( -55.687 -10.248 -4.760) 56.822 16.894 ( -17.438 1.072 2.704) 17.679 18.175 ( 62.862 4.535 -19.006) 65.829 20.800 ( -3.772 -2.238 -6.500) 7.841 ======================= Grid point 517 (158/248) ======================= q-point: ( 0.20 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -7.260 0.672 15.167) 16.829 2.508 ( 5.591 -0.891 9.338) 10.920 3.096 ( -10.724 -0.547 -1.665) 10.866 3.815 ( -0.856 8.767 -6.855) 11.162 4.917 ( 15.976 -0.049 17.069) 23.379 5.181 ( -0.153 0.886 25.660) 25.676 5.891 ( 3.409 -6.078 0.648) 6.999 6.707 ( -0.113 -4.026 26.675) 26.977 7.258 ( -3.554 1.634 -9.817) 10.567 7.817 ( -3.426 7.079 -17.856) 19.511 10.060 ( 2.179 5.167 17.668) 18.537 10.556 ( -0.676 -4.070 14.094) 14.685 10.981 ( 1.096 16.240 1.292) 16.328 13.159 ( -30.744 12.226 4.615) 33.406 14.138 ( -41.729 -18.626 -15.097) 48.127 16.751 ( -5.033 -1.175 7.438) 9.058 18.988 ( 59.115 7.597 -19.496) 62.708 20.765 ( -7.616 -4.482 -5.798) 10.569 ======================= Grid point 518 (159/248) ======================= q-point: ( 0.30 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -7.187 0.370 8.393) 11.056 2.623 ( 7.529 -1.581 7.026) 10.419 2.984 ( -6.227 -0.881 -2.520) 6.775 3.675 ( -0.417 9.008 -3.793) 9.783 5.098 ( 8.893 1.929 18.509) 20.625 5.200 ( 3.770 -1.104 18.533) 18.945 6.015 ( 2.202 -4.980 2.204) 5.874 6.767 ( 0.000 -4.602 25.109) 25.527 7.185 ( -3.420 1.014 -8.949) 9.633 7.652 ( -3.828 8.293 -16.369) 18.745 10.022 ( 3.420 5.603 15.498) 16.831 10.576 ( -3.065 -1.713 10.503) 11.075 10.793 ( 1.242 12.061 4.361) 12.885 12.372 ( -47.054 8.664 -4.479) 48.054 14.002 ( -13.495 -12.009 -3.578) 18.416 16.733 ( -1.994 -2.602 4.323) 5.426 19.650 ( 48.230 9.377 -17.105) 52.025 20.703 ( -11.850 -6.673 -5.411) 14.636 ======================= Grid point 519 (160/248) ======================= q-point: ( 0.40 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -3.996 -0.289 1.108) 4.156 2.756 ( 7.734 -0.842 2.178) 8.079 2.925 ( -4.301 -0.995 -0.027) 4.414 3.565 ( 0.018 5.759 -1.084) 5.860 5.143 ( 2.193 0.852 18.044) 18.196 5.287 ( 4.493 -0.333 13.832) 14.547 6.084 ( 0.532 -2.038 4.093) 4.603 6.838 ( 0.806 -4.387 26.041) 26.421 7.141 ( -1.901 -0.356 -11.803) 11.960 7.487 ( -3.113 7.115 -14.350) 16.317 10.011 ( 4.242 3.740 13.441) 14.582 10.528 ( -2.793 0.773 3.949) 4.899 10.654 ( -4.544 5.679 9.174) 11.708 11.735 ( -25.661 3.357 -9.084) 27.427 13.997 ( -5.008 -5.279 5.351) 9.033 16.748 ( -0.818 -1.993 0.187) 2.163 20.121 ( 35.745 10.046 -13.754) 39.595 20.603 ( -17.124 -8.525 -5.857) 20.005 ======================= Grid point 520 (161/248) ======================= q-point: (-0.50 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 0.000 -0.000 -2.213) 2.213 2.843 ( 0.000 -0.000 -12.440) 12.440 2.881 ( -0.000 -0.000 13.890) 13.890 3.523 ( 0.000 -0.000 0.048) 0.048 5.153 ( -0.000 -0.000 16.237) 16.237 5.322 ( 0.000 -0.000 13.409) 13.409 6.100 ( 0.000 -0.000 4.992) 4.992 6.885 ( 0.000 -0.000 30.633) 30.633 7.133 ( 0.000 -0.000 -18.868) 18.868 7.402 ( 0.000 0.000 -11.991) 11.991 10.023 ( 0.000 -0.000 12.593) 12.593 10.510 ( -0.000 -0.000 -1.124) 1.124 10.544 ( 0.000 0.000 11.547) 11.547 11.536 ( 0.000 -0.000 -8.399) 8.399 13.998 ( 0.000 -0.000 8.397) 8.397 16.757 ( 0.000 -0.000 -1.523) 1.523 20.386 ( 0.000 0.000 -15.072) 15.072 20.462 ( -0.000 -0.000 -3.331) 3.331 ======================= Grid point 527 (162/248) ======================= q-point: ( 0.10 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( -6.825 -0.000 19.416) 20.581 2.490 ( 3.838 0.000 11.547) 12.168 3.088 ( -10.948 -0.000 -2.857) 11.315 3.954 ( -1.127 -0.000 -9.197) 9.266 4.915 ( 17.336 0.000 17.447) 24.596 5.186 ( -2.950 -0.000 25.264) 25.435 5.808 ( 6.348 0.000 2.915) 6.985 6.641 ( -0.097 -0.000 27.091) 27.091 7.283 ( -3.860 -0.000 -9.806) 10.538 7.922 ( -4.238 -0.000 -18.233) 18.719 10.140 ( 2.031 0.000 18.918) 19.027 10.492 ( 0.352 0.000 14.515) 14.520 11.264 ( -0.749 -0.000 3.834) 3.907 13.494 ( 2.051 0.000 -9.470) 9.690 13.666 ( -73.138 -0.000 -4.969) 73.307 16.730 ( -7.430 -0.000 10.435) 12.810 19.106 ( 58.914 0.000 -21.997) 62.886 20.700 ( -7.797 -0.000 -7.145) 10.575 ======================= Grid point 528 (163/248) ======================= q-point: ( 0.20 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -8.996 0.394 16.122) 18.466 2.565 ( 5.305 -1.675 12.669) 13.836 2.971 ( -5.417 -0.127 -6.063) 8.132 3.902 ( -0.898 5.074 -7.707) 9.270 5.132 ( 3.357 0.422 19.986) 20.271 5.157 ( 6.857 -1.160 17.367) 18.707 5.925 ( 7.598 -1.417 5.408) 9.433 6.656 ( -0.354 -2.505 25.627) 25.752 7.213 ( -4.797 0.718 -8.350) 9.657 7.824 ( -5.691 3.296 -16.626) 17.879 10.154 ( 2.777 2.828 17.347) 17.794 10.507 ( -0.667 -1.709 14.129) 14.248 11.170 ( -1.843 9.755 3.824) 10.639 12.592 ( -60.403 6.163 -7.110) 61.132 13.619 ( -1.790 -11.425 -8.918) 14.604 16.660 ( -4.185 -1.747 11.893) 12.728 19.854 ( 47.606 4.115 -21.639) 52.455 20.573 ( -11.867 -2.333 -7.007) 13.977 ======================= Grid point 529 (164/248) ======================= q-point: ( 0.30 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -8.433 -1.203 9.879) 13.045 2.690 ( 6.757 -3.050 11.780) 13.919 2.913 ( -3.348 0.147 -7.465) 8.183 3.796 ( -0.243 8.243 -5.413) 9.865 5.107 ( -4.148 -2.561 17.743) 18.401 5.300 ( 7.596 0.925 14.952) 16.797 6.049 ( 6.965 -0.563 6.469) 9.523 6.701 ( -0.065 -4.391 22.817) 23.236 7.137 ( -4.211 0.268 -5.779) 7.155 7.677 ( -6.038 5.097 -15.063) 17.010 10.145 ( 3.210 4.560 15.124) 16.119 10.499 ( -3.884 -1.409 12.504) 13.169 10.960 ( -4.657 12.520 2.615) 13.612 11.818 ( -34.768 2.674 -9.156) 36.053 13.758 ( -0.420 -10.106 -3.348) 10.655 16.653 ( -2.379 -3.719 8.619) 9.684 20.330 ( 11.467 0.992 -19.630) 22.756 20.458 ( 6.507 1.421 -5.963) 8.940 ======================= Grid point 530 (165/248) ======================= q-point: ( 0.40 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -5.421 -4.142 2.290) 7.197 2.824 ( 4.255 -3.071 13.555) 14.535 2.853 ( -3.985 0.465 -10.656) 11.386 3.675 ( 0.382 8.675 -2.759) 9.111 5.088 ( -4.849 -3.842 14.984) 16.211 5.345 ( 0.950 1.243 14.557) 14.641 6.130 ( 5.329 1.790 6.498) 8.592 6.782 ( 1.376 -5.580 21.799) 22.544 7.095 ( -2.457 -1.370 -5.982) 6.611 7.518 ( -5.178 5.323 -13.756) 15.632 10.103 ( -0.928 4.880 12.714) 13.650 10.464 ( -0.971 -1.289 9.091) 9.233 10.724 ( -3.561 9.872 1.400) 10.588 11.524 ( -5.681 -0.567 -7.308) 9.274 13.889 ( 1.739 -7.195 2.663) 7.867 16.687 ( -1.047 -4.256 3.413) 5.555 20.172 ( -24.545 -7.031 -11.100) 27.841 20.712 ( 24.249 9.160 -10.719) 28.050 ======================= Grid point 531 (166/248) ======================= q-point: (-0.50 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -1.038 -5.771 -2.515) 6.381 2.751 ( -8.393 -0.485 -1.600) 8.558 2.925 ( 4.170 -1.364 3.928) 5.889 3.573 ( 0.525 6.149 -0.276) 6.177 5.067 ( -5.956 -4.065 14.676) 16.351 5.302 ( -4.725 0.545 15.002) 15.738 6.165 ( 5.176 3.571 5.238) 8.184 6.872 ( 1.236 -2.923 28.525) 28.701 7.105 ( -0.480 -3.037 -15.632) 15.932 7.400 ( -2.717 1.917 -11.870) 12.327 9.993 ( -4.942 2.872 11.530) 12.869 10.485 ( -1.149 0.330 1.292) 1.760 10.657 ( 8.509 3.218 10.740) 14.075 11.624 ( 15.068 -4.363 -7.418) 17.352 14.021 ( 6.380 -3.596 4.917) 8.821 16.732 ( -0.174 -3.036 -0.693) 3.119 19.854 ( -34.475 -8.153 -12.137) 37.447 20.869 ( 16.202 9.574 -6.938) 20.057 ======================= Grid point 532 (167/248) ======================= q-point: (-0.40 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 3.733 -5.066 -1.325) 6.431 2.629 ( -9.255 -0.848 0.972) 9.344 3.004 ( 5.808 -0.194 1.918) 6.120 3.529 ( 0.365 0.663 0.766) 1.076 5.023 ( -7.764 -3.371 16.308) 18.374 5.203 ( -8.339 -0.666 17.204) 19.130 6.178 ( 5.174 5.868 2.673) 8.268 6.877 ( -0.421 2.315 29.036) 29.131 7.150 ( 0.863 -2.248 -16.240) 16.418 7.417 ( 0.658 -6.390 -12.779) 14.303 9.911 ( -3.913 -0.849 12.840) 13.450 10.467 ( -2.518 -3.619 -1.417) 4.631 10.742 ( 6.157 3.351 15.657) 17.155 12.103 ( 35.050 -10.333 -3.992) 36.758 14.195 ( 16.185 0.989 0.034) 16.215 16.762 ( 0.302 -1.000 -1.773) 2.057 19.388 ( -45.996 -8.231 -13.940) 48.762 20.930 ( 10.676 8.848 -4.285) 14.513 ======================= Grid point 533 (168/248) ======================= q-point: (-0.30 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 6.577 -3.185 4.435) 8.548 2.514 ( -7.863 -0.703 4.241) 8.961 3.113 ( 9.542 0.356 1.106) 9.613 3.571 ( 0.384 -5.808 -0.870) 5.885 4.910 ( -12.445 -0.739 16.275) 20.501 5.120 ( -5.636 -3.214 22.908) 23.809 6.128 ( 2.747 9.581 -0.263) 9.971 6.826 ( -0.202 3.788 27.031) 27.296 7.200 ( 1.824 -2.430 -11.482) 11.877 7.561 ( 1.747 -10.073 -15.951) 18.946 9.903 ( -2.541 -4.444 14.842) 15.700 10.532 ( -1.360 -9.650 -1.468) 9.855 10.732 ( 1.035 4.626 15.167) 15.891 12.804 ( 31.944 -13.547 7.976) 35.602 14.517 ( 37.763 6.390 -13.684) 40.671 16.773 ( 0.836 0.053 0.469) 0.960 18.751 ( -56.755 -7.696 -15.385) 59.305 20.940 ( 6.829 7.517 -3.431) 10.719 ======================= Grid point 534 (169/248) ======================= q-point: (-0.20 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 4.961 -1.099 10.999) 12.116 2.431 ( -4.648 -0.740 7.409) 8.778 3.261 ( 9.885 -0.240 0.824) 9.923 3.691 ( 0.402 -9.508 -4.326) 10.454 4.715 ( -11.817 1.360 17.489) 21.150 5.124 ( -1.938 -4.452 27.320) 27.748 5.997 ( 0.223 11.207 -1.918) 11.373 6.768 ( -0.004 4.251 27.446) 27.773 7.266 ( 1.688 -2.758 -10.793) 11.267 7.729 ( 1.346 -9.969 -17.762) 20.412 9.953 ( -1.227 -6.089 16.875) 17.982 10.636 ( 1.340 4.072 12.516) 13.230 10.726 ( -2.120 -14.317 0.829) 14.496 13.277 ( 10.076 -9.439 14.075) 19.716 15.102 ( 53.213 11.170 -22.473) 58.834 16.828 ( 7.009 -3.340 2.354) 8.113 17.989 ( -60.067 -6.603 -15.052) 62.275 20.919 ( 3.480 5.949 -3.996) 7.966 ======================= Grid point 535 (170/248) ======================= q-point: (-0.10 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 0.000 0.240 16.552) 16.554 2.409 ( -0.000 -0.924 8.834) 8.882 3.353 ( -0.000 -0.645 0.385) 0.751 3.830 ( -0.000 -9.095 -7.568) 11.831 4.591 ( 0.000 1.917 18.785) 18.883 5.173 ( -0.000 -3.807 30.018) 30.258 5.847 ( 0.000 9.241 -2.336) 9.532 6.708 ( 0.000 4.048 27.648) 27.943 7.314 ( -0.000 -2.017 -10.628) 10.817 7.868 ( -0.000 -7.844 -18.897) 20.460 10.028 ( -0.000 -5.318 18.560) 19.306 10.564 ( 0.000 5.167 14.653) 15.537 10.960 ( -0.000 -17.881 -0.294) 17.883 13.424 ( -0.000 -3.932 6.669) 7.741 15.374 ( 0.000 15.521 -10.778) 18.897 17.201 ( -0.000 -14.699 -8.593) 17.026 17.341 ( 0.000 1.623 -9.669) 9.804 20.873 ( 0.000 4.212 -5.271) 6.747 ======================= Grid point 538 (171/248) ======================= q-point: ( 0.20 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -10.765 -0.000 14.098) 17.738 2.638 ( 6.757 0.000 14.096) 15.632 2.918 ( -2.866 -0.000 -8.741) 9.199 3.927 ( -0.525 -0.000 -7.141) 7.160 5.061 ( -5.550 -0.000 17.026) 17.908 5.316 ( 8.166 0.000 15.758) 17.748 6.043 ( 9.269 0.000 8.227) 12.394 6.631 ( -0.416 -0.000 23.360) 23.364 7.145 ( -5.066 -0.000 -5.606) 7.556 7.750 ( -7.411 -0.000 -14.559) 16.337 10.217 ( 3.054 0.000 15.994) 16.283 10.476 ( -2.510 -0.000 13.470) 13.702 11.171 ( -7.923 -0.000 3.561) 8.687 11.869 ( -38.586 -0.000 -8.475) 39.506 13.575 ( 3.359 0.000 -10.094) 10.638 16.592 ( -3.107 -0.000 13.531) 13.883 20.299 ( -11.129 -0.000 -15.575) 19.142 20.528 ( 28.612 0.000 -13.505) 31.639 ======================= Grid point 539 (172/248) ======================= q-point: ( 0.30 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -10.481 -2.044 9.024) 13.981 2.749 ( 5.880 -1.639 15.046) 16.238 2.865 ( -4.260 0.281 -10.643) 11.467 3.889 ( 0.059 4.760 -5.645) 7.384 4.990 ( -6.227 -2.214 14.236) 15.696 5.374 ( 0.446 0.619 15.299) 15.318 6.174 ( 9.116 0.963 9.045) 12.877 6.650 ( 0.464 -2.851 19.369) 19.583 7.076 ( -4.132 -0.124 -1.626) 4.442 7.622 ( -7.983 1.795 -12.555) 14.986 10.237 ( 1.826 3.380 13.710) 14.238 10.432 ( -2.450 -0.917 10.627) 10.944 10.989 ( -7.497 6.146 -0.794) 9.727 11.528 ( -9.835 0.873 -3.853) 10.598 13.670 ( 3.259 -5.920 -8.236) 10.653 16.577 ( -1.368 -2.512 11.250) 11.608 20.035 ( -23.905 -2.473 -12.781) 27.220 20.904 ( 23.295 3.750 -14.293) 27.587 ======================= Grid point 540 (173/248) ======================= q-point: ( 0.40 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -7.434 -6.591 1.994) 10.133 2.745 ( -8.060 0.016 1.188) 8.147 2.876 ( 4.655 -1.595 2.781) 5.653 3.802 ( 0.567 7.864 -3.536) 8.641 4.943 ( -6.512 -4.022 12.550) 14.700 5.318 ( -6.577 0.529 15.453) 16.802 6.269 ( 8.219 3.314 8.168) 12.052 6.729 ( 2.293 -5.297 16.869) 17.829 7.037 ( -2.594 -1.476 -0.052) 2.985 7.480 ( -7.323 2.175 -11.179) 13.540 10.150 ( -2.062 7.189 10.352) 12.771 10.492 ( 6.028 -1.328 9.054) 10.958 10.833 ( 1.231 8.449 1.172) 8.619 11.510 ( 5.283 -3.113 -3.679) 7.151 13.829 ( 4.793 -8.465 -4.235) 10.610 16.619 ( 0.489 -3.938 6.051) 7.236 19.679 ( -31.959 -4.124 -13.892) 35.091 21.102 ( 14.548 6.290 -9.945) 18.711 ======================= Grid point 541 (174/248) ======================= q-point: (-0.50 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -2.385 -10.867 -3.472) 11.655 2.610 ( -9.883 -0.242 -0.298) 9.890 2.973 ( 5.943 -1.443 4.468) 7.573 3.692 ( 0.659 8.668 -0.938) 8.743 4.909 ( -6.691 -4.463 12.857) 15.165 5.183 ( -11.386 -0.499 16.265) 19.861 6.330 ( 8.469 4.888 6.185) 11.570 6.842 ( 2.228 -4.649 22.913) 23.486 7.045 ( -1.106 -3.565 -8.468) 9.254 7.361 ( -5.590 0.733 -10.071) 11.542 10.012 ( -1.814 7.596 10.005) 12.693 10.504 ( -1.057 4.921 1.428) 5.232 10.839 ( 9.008 3.726 12.738) 16.040 11.802 ( 22.408 -10.396 -3.840) 24.999 14.064 ( 11.126 -9.373 -3.394) 14.939 16.690 ( 1.844 -3.327 0.489) 3.835 19.211 ( -41.173 -4.296 -14.982) 44.024 21.170 ( 8.811 7.500 -5.659) 12.880 ======================= Grid point 542 (175/248) ======================= q-point: (-0.40 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 2.239 -12.072 -4.513) 13.081 2.482 ( -8.518 -0.998 1.289) 8.672 3.098 ( 8.851 -1.124 3.960) 9.762 3.589 ( 0.394 6.455 1.444) 6.626 4.863 ( -7.639 -2.778 14.564) 16.679 5.027 ( -11.577 -2.773 18.345) 21.869 6.370 ( 7.611 6.942 3.604) 10.913 6.892 ( 0.094 0.117 29.911) 29.911 7.102 ( -0.244 -4.945 -17.488) 18.175 7.327 ( -2.149 -4.955 -10.074) 11.430 9.896 ( -1.617 4.796 11.273) 12.357 10.415 ( -2.384 2.110 -1.414) 3.483 10.880 ( 4.320 4.936 15.654) 16.972 12.386 ( 27.984 -15.665 5.533) 32.544 14.458 ( 25.876 -10.140 -10.262) 29.625 16.754 ( 2.431 -1.014 -3.103) 4.070 18.601 ( -49.648 -2.932 -15.130) 51.985 21.162 ( 5.380 7.707 -2.876) 9.829 ======================= Grid point 543 (176/248) ======================= q-point: (-0.30 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 3.563 -9.501 -1.529) 10.262 2.398 ( -5.197 -1.345 3.882) 6.625 3.246 ( 8.410 -0.898 3.072) 8.998 3.538 ( 0.158 0.720 1.895) 2.033 4.744 ( -9.292 0.491 16.281) 18.753 4.975 ( -4.512 -5.763 21.849) 23.042 6.328 ( 3.559 10.858 0.329) 11.431 6.866 ( -0.242 2.459 28.588) 28.695 7.165 ( 0.155 -4.462 -13.536) 14.253 7.429 ( 0.176 -10.116 -13.866) 17.165 9.841 ( -1.106 -0.049 13.145) 13.192 10.401 ( -1.444 -4.490 -2.180) 5.196 10.836 ( 1.190 6.525 15.292) 16.669 12.927 ( 13.973 -14.975 16.768) 26.470 15.119 ( 41.214 -11.766 -22.531) 48.422 16.781 ( 1.452 1.403 -3.129) 3.724 17.885 ( -49.435 -0.564 -13.167) 51.162 21.114 ( 2.807 7.407 -1.933) 8.154 ======================= Grid point 544 (177/248) ======================= q-point: (-0.20 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -0.000 -4.529 4.188) 6.169 2.376 ( -0.000 -1.287 6.463) 6.590 3.329 ( -0.000 -0.999 1.837) 2.091 3.579 ( -0.000 -5.979 -0.671) 6.016 4.647 ( 0.000 1.749 17.581) 17.667 5.030 ( -0.000 -6.008 25.273) 25.978 6.178 ( 0.000 12.933 -1.741) 13.050 6.823 ( 0.000 3.490 28.119) 28.335 7.229 ( -0.000 -3.962 -11.702) 12.354 7.586 ( -0.000 -11.161 -16.434) 19.865 9.866 ( -0.000 -4.411 15.193) 15.821 10.505 ( -0.000 -11.509 -2.263) 11.729 10.745 ( 0.000 7.066 14.909) 16.499 13.207 ( -0.000 -11.373 18.979) 22.126 15.672 ( -0.000 -2.495 -31.038) 31.138 16.802 ( -0.000 -6.760 0.490) 6.777 17.404 ( 0.000 2.676 -9.622) 9.987 21.034 ( 0.000 6.852 -2.490) 7.291 ======================= Grid point 549 (178/248) ======================= q-point: ( 0.30 0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -10.982 -0.000 5.434) 12.252 2.746 ( -7.136 -0.000 3.580) 7.984 2.852 ( 4.476 0.000 0.998) 4.586 3.926 ( 0.374 0.000 -4.903) 4.918 4.880 ( -6.529 -0.000 12.004) 13.664 5.327 ( -7.302 -0.000 15.508) 17.141 6.322 ( 9.646 0.000 10.057) 13.935 6.645 ( 1.896 0.000 14.576) 14.699 7.018 ( -3.483 -0.000 2.981) 4.584 7.507 ( -9.005 -0.000 -9.884) 13.371 10.306 ( 2.889 0.000 12.188) 12.525 10.427 ( 4.729 0.000 8.188) 9.456 10.983 ( 0.862 0.000 -1.736) 1.939 11.471 ( -0.035 -0.000 0.036) 0.050 13.677 ( 3.418 0.000 -10.712) 11.244 16.557 ( 1.300 0.000 10.138) 10.221 19.621 ( -30.814 -0.000 -14.971) 34.258 21.195 ( 13.762 0.000 -11.677) 18.049 ======================= Grid point 550 (179/248) ======================= q-point: ( 0.40 0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -8.607 -5.936 -0.380) 10.462 2.611 ( -10.213 0.103 -1.209) 10.285 2.941 ( 6.835 -0.657 6.143) 9.214 3.901 ( 0.601 4.535 -3.537) 5.783 4.804 ( -6.041 -2.236 10.677) 12.470 5.176 ( -12.819 -0.067 16.025) 20.522 6.441 ( 9.192 2.477 9.326) 13.327 6.708 ( 3.390 -3.253 11.447) 12.373 6.980 ( -2.658 -1.109 5.320) 6.050 7.375 ( -8.760 0.061 -7.972) 11.844 10.270 ( 2.003 8.641 9.636) 13.097 10.570 ( 7.588 -2.001 8.665) 11.690 10.991 ( 5.598 5.617 4.050) 8.904 11.571 ( 11.911 -4.772 -2.726) 13.118 13.780 ( 4.174 -7.586 -9.720) 13.017 16.615 ( 4.990 -1.528 5.121) 7.312 19.135 ( -37.629 -1.252 -16.805) 41.230 21.323 ( 7.380 2.931 -7.873) 11.182 ======================= Grid point 551 (180/248) ======================= q-point: (-0.50 0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -3.879 -13.105 -5.416) 14.701 2.468 ( -8.930 -0.158 -1.054) 8.993 3.070 ( 9.524 -0.731 6.796) 11.722 3.820 ( 0.488 7.785 -1.542) 7.952 4.765 ( -5.018 -3.407 11.029) 12.587 4.978 ( -14.661 -0.925 16.719) 22.256 6.524 ( 8.706 4.150 7.662) 12.318 6.814 ( 2.989 -4.317 15.468) 16.335 6.977 ( -1.785 -3.030 -0.444) 3.545 7.262 ( -7.291 -1.024 -7.009) 10.165 10.146 ( 0.891 11.299 8.765) 14.327 10.589 ( 0.561 7.038 1.969) 7.330 11.004 ( 5.342 4.261 13.920) 15.507 11.967 ( 22.883 -12.552 0.898) 26.115 14.042 ( 9.842 -16.280 -10.168) 21.571 16.733 ( 9.039 -0.391 -1.776) 9.220 18.560 ( -43.109 -0.467 -17.259) 46.438 21.346 ( 3.877 4.825 -4.369) 7.577 ======================= Grid point 552 (181/248) ======================= q-point: (-0.40 0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -0.143 -16.966 -7.090) 18.389 2.369 ( -5.122 -0.652 0.363) 5.176 3.220 ( 8.621 -0.717 6.393) 10.757 3.704 ( 0.033 8.778 0.893) 8.823 4.736 ( -5.622 -1.336 14.275) 15.400 4.824 ( -8.250 -4.175 16.577) 18.981 6.565 ( 5.904 5.938 6.408) 10.544 6.890 ( 1.139 -1.272 27.638) 27.690 7.013 ( -1.445 -5.480 -15.336) 16.350 7.218 ( -3.229 -4.579 -7.412) 9.291 9.995 ( -0.019 10.268 9.325) 13.870 10.464 ( -0.924 7.985 -1.276) 8.139 10.998 ( 2.161 4.741 15.664) 16.508 12.470 ( 14.970 -16.143 11.807) 24.982 14.541 ( 17.115 -25.487 -14.828) 34.094 16.875 ( 13.217 3.881 -8.643) 16.262 17.918 ( -41.810 2.001 -14.866) 44.420 21.310 ( 1.911 5.975 -2.138) 6.628 ======================= Grid point 553 (182/248) ======================= q-point: (-0.30 0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( -0.000 -15.686 -5.800) 16.724 2.343 ( -0.000 -0.993 2.582) 2.766 3.302 ( -0.000 -0.854 4.796) 4.872 3.591 ( 0.000 6.371 2.565) 6.867 4.679 ( 0.000 0.418 16.696) 16.701 4.853 ( -0.000 -6.141 18.330) 19.332 6.503 ( 0.000 9.095 3.100) 9.608 6.890 ( 0.000 1.280 29.208) 29.236 7.088 ( -0.000 -6.064 -15.563) 16.702 7.294 ( -0.000 -8.477 -10.630) 13.596 9.876 ( 0.000 5.931 10.999) 12.496 10.377 ( 0.000 2.591 -2.130) 3.355 10.935 ( 0.000 6.050 15.420) 16.565 12.808 ( -0.000 -16.063 18.099) 24.199 15.123 ( -0.000 -29.906 -20.441) 36.224 16.922 ( 0.000 9.529 -12.265) 15.532 17.483 ( 0.000 2.743 -9.571) 9.957 21.234 ( 0.000 6.799 -1.399) 6.942 ======================= Grid point 560 (183/248) ======================= q-point: ( 0.40 0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -7.424 -0.000 -4.681) 8.776 2.467 ( -9.186 -0.000 -2.239) 9.455 3.060 ( 9.934 0.000 8.088) 12.810 3.942 ( 0.551 0.000 -3.059) 3.108 4.711 ( -4.566 -0.000 9.266) 10.330 4.966 ( -15.275 -0.000 16.552) 22.524 6.591 ( 8.610 0.000 9.928) 13.142 6.740 ( 4.037 0.000 6.688) 7.812 6.932 ( -2.707 -0.000 9.140) 9.532 7.245 ( -8.653 -0.000 -5.670) 10.346 10.375 ( 1.760 0.000 8.839) 9.013 10.657 ( 5.907 0.000 7.124) 9.255 11.098 ( 2.683 0.000 10.730) 11.061 11.775 ( 21.360 0.000 -2.917) 21.558 13.760 ( 2.147 0.000 -11.101) 11.307 16.729 ( 12.115 0.000 -0.687) 12.135 18.556 ( -40.777 -0.000 -18.204) 44.656 21.416 ( 3.234 0.000 -5.392) 6.287 ======================= Grid point 561 (184/248) ======================= q-point: (-0.50 0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -3.435 -9.733 -8.280) 13.232 2.359 ( -5.379 -0.149 -2.501) 5.934 3.207 ( 8.949 -0.214 9.161) 12.809 3.915 ( 0.280 4.602 -2.058) 5.049 4.673 ( -2.488 -1.868 9.343) 9.847 4.765 ( -11.583 -0.652 16.817) 20.430 6.684 ( 6.355 2.567 9.891) 12.034 6.814 ( 3.541 -2.334 6.390) 7.669 6.908 ( -2.530 -2.109 8.082) 8.727 7.140 ( -6.302 -1.318 -5.011) 8.159 10.319 ( 0.934 9.649 7.882) 12.494 10.691 ( 1.504 4.256 2.747) 5.284 11.100 ( 1.216 2.352 15.121) 15.351 12.122 ( 16.543 -6.473 3.881) 18.183 13.899 ( 3.232 -15.376 -11.558) 19.505 16.955 ( 19.765 1.501 -9.465) 21.965 17.964 ( -38.689 0.942 -16.389) 42.028 21.430 ( 1.254 2.273 -3.325) 4.218 ======================= Grid point 562 (185/248) ======================= q-point: (-0.40 0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -0.000 -16.430 -8.679) 18.582 2.323 ( -0.000 -0.431 -1.452) 1.514 3.284 ( -0.000 -0.374 8.438) 8.446 3.825 ( 0.000 7.989 -0.463) 8.002 4.676 ( -0.000 -0.389 16.686) 16.691 4.703 ( -0.000 -4.133 11.442) 12.165 6.685 ( 0.000 4.298 10.677) 11.510 6.893 ( -0.000 -1.140 29.683) 29.705 6.916 ( -0.000 -5.065 -18.300) 18.988 7.127 ( -0.000 -3.669 -5.847) 6.902 10.162 ( 0.000 12.423 8.033) 14.794 10.592 ( 0.000 9.703 -0.270) 9.707 11.071 ( 0.000 3.387 15.867) 16.224 12.377 ( -0.000 -12.245 11.103) 16.529 14.256 ( -0.000 -27.943 -13.235) 30.919 17.149 ( 0.000 5.623 -18.526) 19.361 17.548 ( 0.000 1.731 -9.537) 9.693 21.394 ( 0.000 4.154 -2.223) 4.711 ======================= Grid point 572 (186/248) ======================= q-point: (-0.50 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 217 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -0.000 -0.000 -9.969) 9.969 2.317 ( -0.000 -0.000 -3.230) 3.230 3.279 ( -0.000 -0.000 10.228) 10.228 3.951 ( -0.000 -0.000 -2.342) 2.342 4.641 ( -0.000 -0.000 8.390) 8.390 4.668 ( -0.000 -0.000 17.045) 17.045 6.758 ( -0.000 -0.000 10.673) 10.673 6.841 ( 0.000 0.000 -18.209) 18.209 6.856 ( 0.000 0.000 33.171) 33.171 7.076 ( -0.000 -0.000 -5.002) 5.002 10.402 ( -0.000 -0.000 7.480) 7.480 10.734 ( -0.000 -0.000 2.972) 2.972 11.120 ( -0.000 -0.000 16.035) 16.035 12.212 ( -0.000 -0.000 4.732) 4.732 13.793 ( -0.000 -0.000 -11.227) 11.227 17.228 ( -0.000 -0.000 -19.643) 19.643 17.574 ( -0.000 -0.000 -9.525) 9.525 21.455 ( -0.000 -0.000 -2.911) 2.911 ======================= Grid point 618 (187/248) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 0.000 0.000 14.509) 14.509 2.509 ( 0.000 0.000 0.515) 0.515 3.440 ( 0.000 0.000 5.404) 5.404 3.773 ( 0.000 0.000 -8.695) 8.695 4.862 ( 0.000 0.000 10.065) 10.065 5.680 ( 0.000 0.000 -0.852) 0.852 5.809 ( 0.000 0.000 23.650) 23.650 7.068 ( 0.000 0.000 13.893) 13.893 7.165 ( 0.000 0.000 -6.427) 6.427 7.593 ( 0.000 0.000 -17.431) 17.431 10.424 ( 0.000 0.000 10.566) 10.566 10.721 ( 0.000 0.000 8.098) 8.098 11.322 ( 0.000 0.000 1.980) 1.980 13.309 ( 0.000 0.000 -5.520) 5.520 15.251 ( 0.000 0.000 6.011) 6.011 17.156 ( 0.000 0.000 -5.703) 5.703 17.185 ( 0.000 0.000 -9.344) 9.344 20.699 ( 0.000 0.000 -3.946) 3.946 ======================= Grid point 619 (188/248) ======================= q-point: ( 0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( -4.997 2.934 13.216) 14.430 2.523 ( 2.684 0.786 0.123) 2.800 3.344 ( -11.627 -0.275 5.766) 12.981 3.748 ( -0.025 3.416 -7.746) 8.466 4.970 ( 12.629 -0.497 9.654) 15.904 5.635 ( -6.970 -2.602 6.489) 9.872 5.877 ( 8.258 0.849 15.859) 17.900 7.035 ( -5.411 -1.069 5.096) 7.510 7.190 ( 3.330 0.111 2.021) 3.897 7.558 ( -1.336 3.384 -16.829) 17.217 10.401 ( 0.521 3.765 10.229) 10.912 10.742 ( 0.011 -2.637 8.026) 8.448 11.219 ( 1.038 14.166 1.470) 14.280 13.394 ( 0.006 -9.905 -1.981) 10.101 14.648 ( -66.473 1.403 -2.857) 66.549 16.976 ( -4.705 1.982 5.074) 7.198 17.827 ( 59.011 2.420 -14.254) 60.756 20.693 ( -4.003 -3.241 -3.730) 6.360 ======================= Grid point 620 (189/248) ======================= q-point: ( 0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 704 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( -9.200 5.794 9.997) 14.770 2.561 ( 4.466 1.447 -1.592) 4.958 3.178 ( -11.327 -1.696 6.613) 13.225 3.683 ( 0.023 5.448 -5.395) 7.667 5.185 ( 15.109 0.260 8.946) 17.561 5.572 ( -6.664 -2.522 10.289) 12.515 5.999 ( 8.515 -0.514 10.773) 13.741 6.948 ( -7.103 0.146 -3.321) 7.843 7.250 ( 3.439 -1.231 9.180) 9.880 7.466 ( -2.230 5.532 -14.885) 16.035 10.340 ( 1.209 6.252 9.451) 11.396 10.769 ( -1.761 -0.634 6.176) 6.453 11.023 ( 3.773 14.931 2.806) 15.654 13.277 ( -47.840 7.116 6.952) 48.864 13.834 ( -27.986 -17.050 -13.915) 35.603 16.890 ( -2.562 3.337 5.776) 7.146 18.653 ( 58.757 4.529 -12.471) 60.236 20.671 ( -8.165 -5.966 -3.242) 10.619 ======================= Grid point 621 (190/248) ======================= q-point: ( 0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -9.970 6.705 5.493) 13.211 2.604 ( 4.520 1.862 -4.211) 6.452 3.090 ( -4.943 -2.790 7.743) 9.601 3.605 ( 0.112 5.353 -2.727) 6.008 5.372 ( 11.987 1.655 8.556) 14.821 5.513 ( -5.892 -2.116 10.578) 12.292 6.125 ( 6.623 -1.175 8.494) 10.834 6.842 ( -6.190 0.338 -8.516) 10.534 7.292 ( 0.464 2.928 1.117) 3.168 7.371 ( -0.328 1.617 -0.842) 1.852 10.270 ( 2.150 6.595 8.573) 11.028 10.663 ( -1.592 9.415 0.388) 9.557 10.969 ( 2.096 1.867 9.717) 10.114 12.259 ( -59.991 8.184 -5.654) 60.810 13.945 ( -3.261 -15.738 -1.928) 16.187 16.808 ( -1.945 3.409 2.868) 4.861 19.365 ( 48.976 6.206 -10.224) 50.415 20.619 ( -12.657 -7.839 -2.818) 15.153 ======================= Grid point 622 (191/248) ======================= q-point: ( 0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 704 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -6.393 4.564 1.000) 7.918 2.634 ( 2.658 1.400 -6.219) 6.907 3.099 ( 0.133 -2.263 8.596) 8.889 3.544 ( 0.134 3.249 -0.772) 3.342 5.448 ( -0.270 1.602 10.960) 11.080 5.497 ( 2.763 -1.123 6.765) 7.393 6.209 ( 3.070 -0.438 7.901) 8.488 6.779 ( -2.789 -0.847 -13.300) 13.616 7.199 ( -1.728 5.070 -7.689) 9.371 7.399 ( 1.182 -1.357 13.202) 13.324 10.228 ( 2.974 4.474 7.632) 9.333 10.530 ( -0.363 6.413 -1.210) 6.537 10.916 ( -9.590 0.854 14.053) 17.035 11.512 ( -26.967 3.031 -12.362) 29.820 14.090 ( -1.099 -8.538 3.470) 9.281 16.745 ( -1.068 2.140 -0.268) 2.407 19.888 ( 35.642 7.154 -8.406) 37.313 20.519 ( -16.843 -8.267 -2.597) 18.941 ======================= Grid point 623 (192/248) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 0.000 -0.000 -1.027) 1.027 2.643 ( 0.000 -0.000 -6.830) 6.830 3.122 ( 0.000 -0.000 8.862) 8.862 3.522 ( 0.000 -0.000 -0.074) 0.074 5.427 ( -0.000 -0.000 9.924) 9.924 5.530 ( 0.000 -0.000 6.958) 6.958 6.232 ( 0.000 -0.000 7.816) 7.816 6.770 ( 0.000 -0.000 -16.090) 16.090 7.144 ( 0.000 -0.000 -5.890) 5.890 7.419 ( 0.000 -0.000 14.403) 14.403 10.223 ( 0.000 -0.000 7.020) 7.020 10.481 ( -0.000 -0.000 -1.600) 1.600 10.781 ( 0.000 -0.000 11.396) 11.396 11.340 ( 0.000 -0.000 -10.325) 10.325 14.144 ( 0.000 -0.000 5.376) 5.376 16.721 ( 0.000 -0.000 -1.600) 1.600 20.141 ( 0.000 0.000 -8.495) 8.495 20.410 ( -0.000 -0.000 -1.736) 1.736 ======================= Grid point 630 (193/248) ======================= q-point: ( 0.10 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -9.192 -0.000 12.905) 15.844 2.579 ( 4.209 0.000 -0.596) 4.251 3.151 ( -12.586 -0.000 6.300) 14.074 3.774 ( 0.206 0.000 -7.587) 7.590 5.188 ( 16.187 0.000 9.114) 18.576 5.514 ( -7.161 -0.000 6.359) 9.577 6.011 ( 9.308 0.000 15.873) 18.401 6.940 ( -6.773 -0.000 0.788) 6.818 7.234 ( 2.900 0.000 6.714) 7.313 7.553 ( -2.698 -0.000 -16.686) 16.903 10.437 ( 0.827 0.000 9.949) 9.983 10.727 ( 0.329 0.000 8.059) 8.066 11.338 ( 0.755 0.000 3.100) 3.190 13.335 ( 1.764 0.000 -5.676) 5.944 13.564 ( -78.616 -0.000 -4.322) 78.734 16.939 ( -3.118 -0.000 9.085) 9.605 18.722 ( 58.703 0.000 -14.743) 60.526 20.582 ( -8.065 -0.000 -4.134) 9.063 ======================= Grid point 631 (194/248) ======================= q-point: ( 0.20 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -12.423 2.894 10.415) 16.467 2.639 ( 4.184 0.537 -2.599) 4.955 3.022 ( -5.872 -1.515 7.559) 9.691 3.754 ( 0.626 3.590 -5.999) 7.019 5.401 ( 11.074 0.515 7.945) 13.639 5.428 ( -5.474 -2.389 7.515) 9.599 6.143 ( 9.692 1.053 14.389) 17.381 6.837 ( -7.607 -0.390 -3.704) 8.470 7.280 ( 2.743 -0.806 10.950) 11.317 7.484 ( -3.669 2.911 -15.459) 16.153 10.426 ( 1.131 3.371 9.096) 9.766 10.737 ( -0.634 -0.776 7.823) 7.886 11.256 ( 0.355 11.131 4.385) 11.969 12.437 ( -67.957 4.034 -7.120) 68.448 13.469 ( 0.857 -13.379 -5.374) 14.443 16.881 ( -3.218 1.445 8.914) 9.587 19.485 ( 47.458 2.125 -13.689) 49.438 20.461 ( -11.329 -2.941 -3.874) 12.329 ======================= Grid point 632 (195/248) ======================= q-point: ( 0.30 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -12.745 3.273 6.361) 14.616 2.672 ( 1.656 1.086 -5.484) 5.831 3.021 ( 0.928 -2.622 9.341) 9.746 3.697 ( 1.063 5.937 -3.823) 7.141 5.358 ( -7.753 -4.018 6.891) 11.123 5.542 ( 7.461 1.452 8.508) 11.408 6.253 ( 8.324 2.487 12.324) 15.079 6.743 ( -6.152 -1.218 -7.470) 9.754 7.328 ( 1.497 0.142 9.481) 9.600 7.379 ( -3.232 2.947 -9.130) 10.123 10.381 ( 1.188 5.252 7.896) 9.558 10.698 ( -3.606 2.596 6.081) 7.531 11.060 ( -7.645 10.229 8.093) 15.119 11.596 ( -35.206 2.970 -12.105) 37.347 13.701 ( 1.024 -16.306 -2.076) 16.469 16.811 ( -2.835 2.027 6.275) 7.177 19.990 ( 19.161 -0.177 -12.415) 22.832 20.372 ( -0.507 -1.418 -2.805) 3.184 ======================= Grid point 633 (196/248) ======================= q-point: ( 0.40 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -9.413 0.213 1.663) 9.562 2.656 ( -1.834 0.784 -6.679) 6.971 3.087 ( 2.268 -2.037 9.695) 10.163 3.626 ( 1.385 6.264 -1.771) 6.655 5.316 ( -6.944 -5.343 7.208) 11.346 5.581 ( 1.485 1.850 8.342) 8.673 6.302 ( 5.107 4.255 9.789) 11.833 6.711 ( -2.205 -2.977 -10.883) 11.497 7.243 ( -2.717 5.079 -9.810) 11.376 7.389 ( 0.632 -1.762 14.431) 14.552 10.300 ( -3.230 4.868 6.645) 8.848 10.584 ( -2.882 5.234 2.191) 6.364 10.811 ( -5.339 3.025 7.297) 9.534 11.352 ( -1.215 1.270 -8.988) 9.158 13.933 ( 1.234 -13.552 1.531) 13.694 16.749 ( -1.944 1.591 2.494) 3.540 19.962 ( -23.563 -8.178 -8.315) 26.291 20.562 ( 23.777 6.501 -4.377) 25.035 ======================= Grid point 634 (197/248) ======================= q-point: (-0.50 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -2.845 -5.071 -1.403) 5.981 2.605 ( -4.580 -0.510 -6.424) 7.906 3.126 ( 1.207 -0.232 9.050) 9.133 3.568 ( 1.387 4.684 -0.249) 4.891 5.309 ( -5.924 -6.396 8.507) 12.181 5.545 ( -2.934 1.081 8.534) 9.089 6.296 ( 3.582 5.138 7.486) 9.761 6.746 ( 0.152 -3.206 -14.684) 15.031 7.159 ( -0.870 2.345 -7.006) 7.439 7.408 ( -0.569 -0.726 15.010) 15.039 10.182 ( -4.922 1.670 6.862) 8.608 10.477 ( -2.866 3.166 -1.072) 4.403 10.905 ( 14.725 -0.787 12.736) 19.485 11.433 ( 14.491 -2.228 -11.007) 18.333 14.107 ( 2.189 -7.322 3.229) 8.297 16.715 ( -0.889 0.148 -0.706) 1.145 19.645 ( -36.397 -9.016 -7.659) 38.272 20.767 ( 18.312 8.289 -3.200) 20.354 ======================= Grid point 635 (198/248) ======================= q-point: (-0.40 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 4.032 -9.454 -0.842) 10.313 2.546 ( -5.843 -2.008 -5.097) 8.010 3.152 ( 4.239 1.265 7.961) 9.108 3.540 ( 1.069 1.636 0.328) 1.982 5.291 ( -8.779 -4.505 9.272) 13.540 5.499 ( -3.021 -2.225 11.273) 11.881 6.255 ( 2.194 7.224 4.976) 9.042 6.801 ( 2.021 -2.903 -15.198) 15.604 7.164 ( 1.158 -2.666 -6.167) 6.818 7.391 ( -1.853 0.669 13.700) 13.841 10.127 ( -3.259 -2.274 7.952) 8.890 10.435 ( -2.750 -3.350 -1.642) 4.635 11.035 ( 4.526 3.633 12.255) 13.560 11.985 ( 47.608 -10.906 -6.710) 49.300 14.201 ( 4.802 1.006 0.464) 4.928 16.722 ( 0.049 -2.022 -1.716) 2.653 19.157 ( -47.447 -7.933 -8.172) 48.795 20.866 ( 12.433 8.876 -2.050) 15.413 ======================= Grid point 636 (199/248) ======================= q-point: (-0.30 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 7.194 -10.664 2.584) 13.120 2.498 ( -5.236 -2.774 -3.074) 6.676 3.229 ( 9.254 1.632 7.017) 11.728 3.555 ( 0.617 -2.003 -0.663) 2.198 5.169 ( -12.526 -1.043 8.753) 15.317 5.532 ( -0.707 -5.531 16.102) 17.041 6.146 ( -0.531 9.691 2.201) 9.952 6.897 ( 4.616 -3.643 -11.340) 12.774 7.242 ( 1.064 -4.125 -3.697) 5.640 7.346 ( -2.240 0.108 6.916) 7.271 10.148 ( -2.035 -5.864 8.750) 10.728 10.499 ( -1.886 -10.661 -1.593) 10.943 10.990 ( -0.199 5.590 9.421) 10.957 12.960 ( 54.328 -14.650 6.770) 56.675 14.251 ( 15.355 9.134 -11.070) 21.018 16.773 ( 0.790 -4.183 -0.232) 4.263 18.497 ( -56.325 -5.926 -9.012) 57.348 20.887 ( 7.860 8.639 -1.711) 11.805 ======================= Grid point 637 (200/248) ======================= q-point: (-0.20 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 5.210 -8.794 7.004) 12.391 2.475 ( -3.129 -2.579 -1.022) 4.182 3.358 ( 9.615 0.714 6.208) 11.467 3.610 ( 0.211 -4.705 -3.199) 5.694 4.991 ( -10.787 0.781 9.257) 14.236 5.620 ( 1.378 -5.891 19.340) 20.264 5.981 ( -2.506 10.009 0.812) 10.350 7.021 ( 5.127 -3.230 -7.409) 9.571 7.224 ( -3.107 2.672 11.062) 11.797 7.399 ( 0.753 -6.808 -12.595) 14.337 10.224 ( -0.886 -7.526 9.349) 12.034 10.680 ( -0.104 -16.616 -0.962) 16.644 10.896 ( -1.517 5.323 8.212) 9.903 13.614 ( 12.319 -0.226 18.513) 22.238 14.632 ( 51.032 1.324 -22.887) 55.945 16.863 ( 2.575 -5.633 1.379) 6.346 17.730 ( -55.490 -3.412 -9.623) 56.422 20.856 ( 3.895 7.682 -2.115) 8.869 ======================= Grid point 638 (201/248) ======================= q-point: (-0.10 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( -0.000 -5.624 11.024) 12.376 2.482 ( -0.000 -1.846 0.104) 1.848 3.437 ( -0.000 -0.126 5.609) 5.610 3.684 ( -0.000 -5.268 -6.057) 8.027 4.885 ( 0.000 1.369 9.793) 9.888 5.726 ( -0.000 -5.720 22.716) 23.425 5.812 ( 0.000 8.979 -1.088) 9.045 7.122 ( -0.000 -3.121 -7.826) 8.426 7.132 ( 0.000 4.036 13.840) 14.417 7.500 ( -0.000 -6.027 -15.634) 16.755 10.321 ( -0.000 -6.639 9.910) 11.929 10.800 ( 0.000 5.225 8.122) 9.657 10.955 ( -0.000 -20.125 -0.224) 20.126 13.564 ( 0.000 11.731 6.116) 13.230 15.182 ( -0.000 -4.368 -7.430) 8.618 17.048 ( -0.000 -8.771 -5.771) 10.499 17.180 ( 0.000 1.644 -5.693) 5.926 20.787 ( 0.000 5.906 -2.931) 6.593 ======================= Grid point 641 (202/248) ======================= q-point: ( 0.20 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -15.286 -0.000 8.675) 17.576 2.688 ( 1.571 0.000 -4.731) 4.985 2.980 ( 1.334 0.000 9.506) 9.600 3.795 ( 1.281 0.000 -5.204) 5.359 5.294 ( -7.978 -0.000 6.174) 10.088 5.562 ( 7.548 0.000 8.180) 11.130 6.295 ( 9.917 0.000 14.696) 17.729 6.723 ( -7.399 -0.000 -5.502) 9.221 7.310 ( 2.267 0.000 13.263) 13.455 7.442 ( -4.776 -0.000 -14.611) 15.372 10.465 ( 0.975 0.000 8.226) 8.283 10.718 ( -2.267 -0.000 9.364) 9.634 11.260 ( -15.858 -0.000 5.798) 16.885 11.662 ( -33.512 -0.000 -11.425) 35.406 13.406 ( 2.963 0.000 -6.052) 6.739 16.841 ( -3.485 -0.000 9.893) 10.489 19.965 ( 6.158 0.000 -13.740) 15.057 20.372 ( 12.293 0.000 -4.103) 12.959 ======================= Grid point 642 (203/248) ======================= q-point: ( 0.30 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -15.901 0.251 5.254) 16.749 2.676 ( -2.782 0.434 -6.284) 6.886 3.036 ( 4.180 -1.105 10.634) 11.479 3.790 ( 1.780 3.789 -3.677) 5.572 5.195 ( -8.104 -2.528 5.937) 10.359 5.616 ( 0.466 0.587 8.145) 8.179 6.416 ( 8.559 2.809 13.154) 15.943 6.639 ( -4.980 -1.793 -7.254) 8.980 7.345 ( 1.345 -0.440 13.152) 13.227 7.354 ( -4.805 1.644 -10.957) 12.076 10.446 ( -1.197 4.149 6.858) 8.104 10.643 ( -6.026 -0.472 9.791) 11.507 10.945 ( -12.018 3.536 -3.582) 13.029 11.444 ( -1.972 4.382 -3.882) 6.178 13.532 ( 2.781 -10.749 -4.961) 12.161 16.787 ( -2.999 0.796 8.423) 8.977 19.786 ( -24.408 -3.478 -10.286) 26.714 20.695 ( 24.828 2.477 -6.420) 25.764 ======================= Grid point 643 (204/248) ======================= q-point: ( 0.40 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 704 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -12.768 -3.558 0.806) 13.279 2.602 ( -6.385 0.138 -6.499) 9.111 3.107 ( 3.451 -0.784 10.408) 10.994 3.744 ( 2.058 6.300 -1.986) 6.919 5.135 ( -7.354 -5.071 6.219) 10.884 5.565 ( -5.901 0.460 8.486) 10.346 6.450 ( 4.904 5.051 7.284) 10.130 6.647 ( 0.362 -3.222 -6.249) 7.040 7.248 ( -4.400 2.692 -10.826) 11.992 7.377 ( 0.672 -1.074 16.229) 16.278 10.312 ( -3.481 6.896 5.583) 9.531 10.635 ( 1.005 4.128 4.524) 6.206 10.870 ( 9.500 -0.227 2.767) 9.898 11.415 ( 4.753 1.452 -5.072) 7.101 13.757 ( 2.649 -14.670 -2.601) 15.132 16.737 ( -1.956 0.983 4.993) 5.452 19.425 ( -34.334 -5.884 -9.926) 36.222 20.953 ( 17.636 4.607 -4.753) 18.838 ======================= Grid point 644 (205/248) ======================= q-point: (-0.50 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -5.803 -10.109 -2.750) 11.976 2.501 ( -7.880 -1.088 -5.846) 9.872 3.169 ( 5.280 0.272 9.643) 10.997 3.678 ( 1.961 6.921 -0.402) 7.205 5.121 ( -6.425 -6.668 7.578) 11.965 5.449 ( -9.932 -1.056 9.393) 13.711 6.453 ( 5.906 5.485 4.715) 9.338 6.703 ( 0.803 -2.852 -9.988) 10.418 7.163 ( -2.733 1.407 -8.160) 8.720 7.391 ( -0.429 -0.456 16.220) 16.232 10.180 ( -2.022 5.969 6.172) 8.821 10.509 ( -2.938 7.710 -0.369) 8.259 11.112 ( 12.183 1.033 13.400) 18.140 11.672 ( 29.249 -10.258 -8.734) 32.203 14.005 ( 4.059 -13.277 -2.105) 14.042 16.706 ( -0.781 0.579 0.929) 1.344 18.949 ( -43.243 -6.245 -9.762) 44.769 21.085 ( 11.409 6.203 -2.710) 13.266 ======================= Grid point 645 (206/248) ======================= q-point: (-0.40 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 704 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 0.884 -15.089 -3.356) 15.483 2.419 ( -6.699 -2.609 -4.450) 8.455 3.264 ( 8.987 1.035 8.628) 12.501 3.613 ( 1.427 5.607 0.831) 5.845 5.106 ( -7.740 -3.983 8.643) 12.266 5.346 ( -8.854 -5.857 12.318) 16.261 6.443 ( 5.761 9.377 3.604) 11.581 6.760 ( 0.422 -4.884 -14.648) 15.446 7.143 ( -0.346 -1.975 -6.063) 6.386 7.374 ( -1.451 0.851 15.238) 15.330 10.090 ( -1.780 2.617 7.232) 7.894 10.385 ( -2.875 2.868 -1.413) 4.300 11.152 ( 2.729 5.274 10.215) 11.815 12.480 ( 46.314 -18.739 3.406) 50.078 14.256 ( 9.952 -8.776 -8.331) 15.667 16.701 ( 0.098 -0.559 -1.949) 2.030 18.346 ( -49.792 -4.449 -9.152) 50.822 21.120 ( 6.963 7.310 -1.310) 10.180 ======================= Grid point 646 (207/248) ======================= q-point: (-0.30 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 2.935 -15.849 -1.252) 16.167 2.386 ( -3.645 -3.457 -2.701) 5.703 3.383 ( 8.350 1.075 7.481) 11.262 3.569 ( 0.635 2.501 1.044) 2.783 5.004 ( -8.347 -0.050 8.812) 12.137 5.379 ( -3.287 -10.012 16.606) 19.667 6.336 ( 2.156 13.428 0.507) 13.610 6.863 ( 1.589 -7.163 -13.938) 15.751 7.202 ( 1.248 -4.850 -6.265) 8.020 7.326 ( -2.063 2.275 13.600) 13.942 10.064 ( -1.125 -2.144 8.259) 8.606 10.360 ( -1.687 -4.356 -1.843) 5.022 11.085 ( 0.451 6.835 8.692) 11.067 13.327 ( 26.900 -17.746 21.921) 38.975 14.607 ( 25.658 -6.657 -26.219) 37.284 16.725 ( 0.210 -2.638 -2.111) 3.385 17.669 ( -45.582 -0.870 -7.564) 46.214 21.087 ( 3.467 7.994 -0.830) 8.753 ======================= Grid point 647 (208/248) ======================= q-point: (-0.20 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -0.000 -12.944 2.516) 13.187 2.408 ( -0.000 -3.285 -1.262) 3.519 3.440 ( 0.000 0.478 6.519) 6.536 3.566 ( -0.000 -1.525 -0.498) 1.604 4.924 ( 0.000 1.156 9.255) 9.327 5.501 ( -0.000 -9.827 19.590) 21.917 6.150 ( 0.000 14.048 -0.959) 14.080 6.982 ( -0.000 -6.845 -12.087) 13.890 7.256 ( 0.000 4.117 14.108) 14.697 7.304 ( -0.000 -6.895 -9.952) 12.107 10.117 ( -0.000 -6.175 8.978) 10.896 10.464 ( -0.000 -11.932 -1.759) 12.060 10.985 ( 0.000 7.300 8.268) 11.029 13.670 ( -0.000 -6.428 25.960) 26.745 15.018 ( -0.000 -8.358 -32.312) 33.375 16.792 ( -0.000 -6.980 -0.896) 7.037 17.244 ( 0.000 2.706 -5.668) 6.281 20.997 ( 0.000 8.221 -1.183) 8.306 ======================= Grid point 652 (209/248) ======================= q-point: ( 0.30 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -17.420 -0.000 2.361) 17.579 2.605 ( -7.102 -0.000 -6.464) 9.603 3.094 ( 4.625 0.000 11.034) 11.964 3.846 ( 2.094 0.000 -2.754) 3.460 5.058 ( -7.947 -0.000 5.480) 9.653 5.572 ( -6.741 -0.000 8.323) 10.710 6.556 ( -3.552 -0.000 -8.700) 9.397 6.570 ( 8.762 0.000 13.213) 15.855 7.287 ( -5.680 -0.000 -11.287) 12.636 7.360 ( 1.091 0.000 16.193) 16.230 10.489 ( 0.587 0.000 5.854) 5.883 10.592 ( 5.009 0.000 7.957) 9.402 10.911 ( 1.932 0.000 -4.878) 5.246 11.470 ( 0.338 0.000 -0.234) 0.411 13.497 ( 3.102 0.000 -6.452) 7.159 16.753 ( -2.212 -0.000 8.169) 8.464 19.339 ( -33.223 -0.000 -11.393) 35.122 21.019 ( 17.253 0.000 -5.646) 18.153 ======================= Grid point 653 (210/248) ======================= q-point: ( 0.40 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -15.217 -4.780 -1.875) 16.060 2.483 ( -9.478 -0.299 -6.395) 11.438 3.175 ( 6.862 0.117 11.025) 12.987 3.849 ( 2.069 3.800 -1.554) 4.597 4.971 ( -6.844 -3.104 5.512) 9.320 5.433 ( -12.025 -0.206 8.841) 14.926 6.522 ( -0.282 0.112 -8.302) 8.308 6.684 ( 6.832 0.754 9.159) 11.451 7.198 ( -5.394 0.807 -9.018) 10.539 7.375 ( 0.458 -0.478 16.738) 16.751 10.418 ( 0.778 8.863 4.911) 10.163 10.715 ( 2.857 2.575 5.172) 6.445 11.065 ( 20.209 -2.611 3.462) 20.669 11.500 ( 7.245 -1.386 -4.059) 8.419 13.616 ( 2.860 -10.232 -5.915) 12.159 16.728 ( -0.606 0.580 5.220) 5.287 18.825 ( -39.728 -2.297 -12.238) 41.634 21.204 ( 10.665 2.123 -3.844) 11.534 ======================= Grid point 654 (211/248) ======================= q-point: (-0.50 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -8.341 -13.400 -5.497) 16.714 2.359 ( -8.553 -1.505 -5.964) 10.535 3.294 ( 10.372 0.993 10.804) 15.009 3.803 ( 1.671 6.385 -0.313) 6.607 4.950 ( -4.797 -5.681 6.642) 9.970 5.249 ( -14.105 -1.520 9.543) 17.098 6.547 ( 2.227 -1.654 -8.842) 9.267 6.742 ( 4.744 3.278 4.502) 7.316 7.118 ( -4.386 -0.028 -6.703) 8.011 7.383 ( -0.094 -0.197 16.638) 16.639 10.286 ( 0.053 10.116 4.827) 11.209 10.609 ( -1.396 10.356 0.348) 10.456 11.270 ( 5.632 2.909 11.261) 12.922 11.956 ( 35.143 -16.655 -1.872) 38.935 13.857 ( 4.415 -16.230 -7.169) 18.284 16.721 ( 1.521 1.302 0.332) 2.030 18.253 ( -43.084 -2.152 -11.755) 44.711 21.280 ( 6.113 3.857 -2.081) 7.522 ======================= Grid point 655 (212/248) ======================= q-point: (-0.40 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -1.678 -19.332 -6.101) 20.342 2.292 ( -4.721 -2.964 -4.933) 7.444 3.424 ( 9.012 1.788 9.980) 13.565 3.723 ( 0.839 7.174 0.871) 7.276 4.970 ( -3.392 -3.283 8.363) 9.603 5.114 ( -9.400 -6.900 11.070) 16.078 6.622 ( 4.572 -0.353 -6.320) 7.808 6.718 ( -0.170 3.949 -3.448) 5.245 7.090 ( -1.835 -2.870 -4.838) 5.917 7.375 ( -0.401 0.899 15.949) 15.979 10.151 ( -0.431 7.992 5.624) 9.783 10.441 ( -1.366 9.172 -0.944) 9.321 11.256 ( 1.341 4.961 9.080) 10.433 12.734 ( 27.366 -22.374 13.014) 37.668 14.209 ( 9.515 -19.553 -15.941) 26.963 16.734 ( 3.463 2.316 -4.922) 6.449 17.668 ( -36.709 0.454 -8.990) 37.797 21.280 ( 2.908 5.349 -0.912) 6.156 ======================= Grid point 656 (213/248) ======================= q-point: (-0.30 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -0.000 -19.672 -4.316) 20.140 2.307 ( -0.000 -3.684 -3.564) 5.125 3.470 ( 0.000 1.678 8.586) 8.749 3.634 ( 0.000 5.835 1.558) 6.040 4.943 ( 0.000 0.182 8.886) 8.888 5.196 ( -0.000 -11.224 14.168) 18.075 6.547 ( 0.000 12.976 1.324) 13.044 6.763 ( -0.000 -7.818 -14.308) 16.304 7.137 ( -0.000 -4.836 -5.142) 7.059 7.348 ( 0.000 2.284 15.148) 15.319 10.064 ( 0.000 3.353 7.026) 7.785 10.339 ( 0.000 3.146 -1.600) 3.529 11.184 ( 0.000 6.328 8.514) 10.607 13.250 ( -0.000 -20.885 24.688) 32.337 14.612 ( -0.000 -20.458 -27.937) 34.627 16.733 ( 0.000 2.199 -6.199) 6.578 17.324 ( 0.000 2.769 -5.641) 6.283 21.216 ( 0.000 6.748 -0.514) 6.767 ======================= Grid point 663 (214/248) ======================= q-point: ( 0.40 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -14.421 -0.000 -6.271) 15.726 2.338 ( -9.423 -0.000 -6.609) 11.509 3.310 ( 11.251 0.000 11.868) 16.354 3.904 ( 1.639 0.000 -0.891) 1.866 4.860 ( -5.234 -0.000 5.042) 7.267 5.231 ( -14.818 -0.000 9.130) 17.405 6.512 ( -0.095 -0.000 -11.391) 11.391 6.795 ( 6.672 0.000 9.606) 11.696 7.124 ( -5.397 -0.000 -6.236) 8.247 7.376 ( 0.137 0.000 17.182) 17.183 10.500 ( 0.202 0.000 3.715) 3.720 10.773 ( 1.611 0.000 4.072) 4.379 11.310 ( 9.859 0.000 10.092) 14.109 11.688 ( 26.238 0.000 -5.779) 26.866 13.573 ( 1.990 0.000 -6.723) 7.011 16.743 ( 2.343 0.000 1.689) 2.888 18.223 ( -40.398 -0.000 -13.093) 42.466 21.335 ( 5.786 0.000 -2.618) 6.351 ======================= Grid point 664 (215/248) ======================= q-point: (-0.50 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -7.506 -11.382 -9.827) 16.807 2.231 ( -5.703 -1.175 -6.645) 8.835 3.470 ( 10.198 1.097 12.427) 16.113 3.895 ( 0.910 3.757 -0.199) 3.871 4.829 ( -2.395 -3.885 5.605) 7.228 5.033 ( -11.840 -0.689 9.128) 14.966 6.529 ( 0.416 -2.122 -12.350) 12.537 6.867 ( 5.343 2.584 6.964) 9.150 7.048 ( -4.737 -0.192 -3.836) 6.099 7.379 ( -0.037 -0.281 17.093) 17.095 10.432 ( 0.178 8.836 3.498) 9.505 10.732 ( -0.082 7.439 1.363) 7.563 11.355 ( 1.433 1.977 9.292) 9.608 12.198 ( 25.401 -12.230 3.262) 28.380 13.691 ( 2.036 -12.768 -8.058) 15.235 16.797 ( 6.054 1.434 -5.655) 8.407 17.681 ( -32.165 0.320 -10.423) 33.813 21.381 ( 2.554 1.795 -1.557) 3.488 ======================= Grid point 665 (216/248) ======================= q-point: (-0.40 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -0.000 -19.169 -8.916) 21.141 2.216 ( -0.000 -2.478 -5.974) 6.468 3.528 ( 0.000 2.103 11.601) 11.790 3.828 ( 0.000 6.433 0.482) 6.451 4.907 ( -0.000 -8.322 8.008) 11.549 4.940 ( -0.000 -0.264 8.821) 8.825 6.581 ( -0.000 -4.574 -13.261) 14.028 6.840 ( 0.000 7.334 5.235) 9.010 7.030 ( -0.000 -2.697 -3.486) 4.407 7.381 ( 0.000 0.124 16.528) 16.528 10.287 ( 0.000 10.882 4.173) 11.655 10.586 ( 0.000 11.711 -0.216) 11.713 11.326 ( 0.000 3.557 8.720) 9.417 12.631 ( -0.000 -20.074 12.662) 23.734 13.969 ( -0.000 -21.903 -13.604) 25.784 16.830 ( 0.000 3.354 -11.723) 12.193 17.390 ( 0.000 1.745 -5.621) 5.886 21.362 ( 0.000 3.502 -0.967) 3.633 ======================= Grid point 675 (217/248) ======================= q-point: (-0.50 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -0.000 -0.000 -12.981) 12.981 2.179 ( -0.000 -0.000 -7.041) 7.041 3.564 ( -0.000 -0.000 13.436) 13.436 3.929 ( -0.000 -0.000 -0.178) 0.178 4.780 ( -0.000 -0.000 4.909) 4.909 4.935 ( -0.000 -0.000 8.860) 8.860 6.516 ( 0.000 0.000 -12.541) 12.541 6.946 ( -0.000 -0.000 6.961) 6.961 6.991 ( -0.000 -0.000 -3.073) 3.073 7.376 ( -0.000 -0.000 17.367) 17.367 10.502 ( -0.000 -0.000 2.841) 2.841 10.788 ( -0.000 -0.000 2.084) 2.084 11.377 ( -0.000 -0.000 8.796) 8.796 12.307 ( -0.000 -0.000 4.116) 4.116 13.603 ( -0.000 -0.000 -6.814) 6.814 16.881 ( -0.000 -0.000 -13.091) 13.091 17.415 ( -0.000 -0.000 -5.615) 5.615 21.412 ( -0.000 -0.000 -1.350) 1.350 ======================= Grid point 721 (218/248) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 0.000 0.000 0.000) 0.000 2.622 ( 0.000 0.000 0.000) 0.000 3.506 ( 0.000 0.000 0.000) 0.000 3.671 ( 0.000 0.000 0.000) 0.000 4.966 ( 0.000 0.000 0.000) 0.000 5.672 ( 0.000 0.000 0.000) 0.000 6.086 ( 0.000 0.000 0.000) 0.000 7.097 ( 0.000 0.000 0.000) 0.000 7.209 ( 0.000 0.000 0.000) 0.000 7.380 ( 0.000 0.000 0.000) 0.000 10.533 ( 0.000 0.000 0.000) 0.000 10.805 ( 0.000 0.000 0.000) 0.000 11.344 ( 0.000 0.000 0.000) 0.000 13.250 ( 0.000 0.000 0.000) 0.000 15.319 ( 0.000 0.000 0.000) 0.000 17.083 ( 0.000 0.000 0.000) 0.000 17.096 ( 0.000 0.000 0.000) 0.000 20.657 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 723 (219/248) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 2.101 1.065 0.000) 2.355 2.551 ( -5.618 4.277 0.000) 7.061 3.414 ( -11.138 -0.349 0.000) 11.144 3.658 ( 0.459 2.280 0.000) 2.326 5.070 ( 12.238 -0.412 0.000) 12.245 5.669 ( -4.522 -4.126 0.000) 6.122 6.107 ( 5.659 2.797 0.000) 6.312 7.020 ( -6.701 1.624 0.000) 6.895 7.269 ( 4.365 -1.201 0.000) 4.527 7.357 ( -0.869 1.922 0.000) 2.110 10.506 ( 0.318 4.001 0.000) 4.013 10.825 ( -0.145 -2.486 0.000) 2.491 11.235 ( 1.602 15.088 0.000) 15.173 13.373 ( 0.688 -15.204 0.000) 15.220 14.618 ( -71.309 5.977 0.000) 71.560 17.048 ( -1.270 3.468 0.000) 3.694 17.660 ( 59.351 0.733 0.000) 59.355 20.654 ( -4.096 -3.640 0.000) 5.479 ======================= Grid point 725 (220/248) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -10.169 8.087 0.000) 12.993 2.534 ( 3.389 1.929 0.000) 3.899 3.258 ( -10.665 -1.733 0.000) 10.805 3.622 ( 0.574 3.709 0.000) 3.753 5.277 ( 14.694 0.348 0.000) 14.698 5.654 ( -7.083 -5.514 0.000) 8.976 6.170 ( 8.744 3.301 0.000) 9.347 6.880 ( -7.928 2.826 0.000) 8.416 7.268 ( -1.599 4.054 0.000) 4.358 7.384 ( 3.937 -2.587 0.000) 4.711 10.438 ( 0.873 6.474 0.000) 6.533 10.824 ( -2.439 3.594 0.000) 4.344 11.062 ( 5.475 11.603 0.000) 12.830 13.392 ( -78.636 8.649 0.000) 79.110 13.645 ( 0.776 -20.045 -0.000) 20.060 16.956 ( -1.990 5.815 0.000) 6.146 18.518 ( 59.197 2.871 0.000) 59.267 20.637 ( -8.354 -6.552 0.000) 10.616 ======================= Grid point 727 (221/248) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -11.039 9.304 0.000) 14.436 2.555 ( 3.366 2.197 0.000) 4.019 3.179 ( -4.267 -2.574 0.000) 4.983 3.575 ( 0.404 3.704 0.000) 3.725 5.458 ( 11.413 1.308 0.000) 11.487 5.616 ( -7.301 -4.032 0.000) 8.340 6.259 ( 8.340 1.983 0.000) 8.572 6.722 ( -7.329 3.353 0.000) 8.059 7.177 ( -2.092 4.327 0.000) 4.806 7.479 ( 3.375 -2.775 0.000) 4.369 10.361 ( 1.671 6.618 0.000) 6.826 10.661 ( -1.186 11.775 0.000) 11.834 11.083 ( 4.816 -0.209 0.000) 4.820 12.190 ( -67.262 8.335 0.000) 67.776 13.925 ( 0.540 -17.264 0.000) 17.272 16.840 ( -1.911 6.149 0.000) 6.439 19.256 ( 49.277 4.787 0.000) 49.509 20.590 ( -12.864 -8.297 0.000) 15.308 ======================= Grid point 729 (222/248) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -7.262 6.465 0.000) 9.723 2.568 ( 2.059 1.500 0.000) 2.548 3.192 ( 0.557 -2.017 0.000) 2.093 3.536 ( 0.191 2.267 0.000) 2.275 5.562 ( -6.009 -2.794 0.000) 6.627 5.567 ( 6.983 2.378 0.000) 7.377 6.341 ( 4.981 0.695 0.000) 5.029 6.591 ( -4.500 2.336 0.000) 5.070 7.099 ( -1.335 2.714 0.000) 3.025 7.551 ( 1.887 -1.715 0.000) 2.550 10.310 ( 2.347 4.409 0.000) 4.995 10.512 ( -0.200 7.202 0.000) 7.205 11.153 ( 2.668 -1.270 0.000) 2.955 11.292 ( -40.678 4.825 0.000) 40.964 14.127 ( 0.260 -9.928 0.000) 9.931 16.742 ( -1.144 4.027 0.000) 4.187 19.799 ( 35.391 6.016 0.000) 35.898 20.492 ( -16.524 -8.203 0.000) 18.448 ======================= Grid point 731 (223/248) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 0.000 -0.000 0.000) 0.000 2.572 ( 0.000 -0.000 0.000) 0.000 3.217 ( 0.000 -0.000 0.000) 0.000 3.521 ( 0.000 -0.000 0.000) 0.000 5.533 ( -0.000 -0.000 0.000) 0.000 5.602 ( 0.000 0.000 0.000) 0.000 6.374 ( 0.000 -0.000 -0.000) 0.000 6.540 ( 0.000 -0.000 0.000) 0.000 7.069 ( 0.000 -0.000 0.000) 0.000 7.578 ( 0.000 -0.000 0.000) 0.000 10.300 ( 0.000 -0.000 0.000) 0.000 10.459 ( 0.000 -0.000 0.000) 0.000 10.948 ( 0.000 -0.000 0.000) 0.000 11.183 ( 0.000 -0.000 0.000) 0.000 14.201 ( 0.000 -0.000 0.000) 0.000 16.704 ( 0.000 -0.000 0.000) 0.000 20.053 ( 0.000 0.000 0.000) 0.000 20.392 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 745 (224/248) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( -10.499 -0.000 0.000) 10.499 2.562 ( 3.238 0.000 0.000) 3.238 3.229 ( -11.865 -0.000 0.000) 11.865 3.687 ( 1.128 0.000 0.000) 1.128 5.282 ( 15.764 0.000 0.000) 15.764 5.561 ( -6.248 -0.000 0.000) 6.248 6.228 ( 8.141 0.000 0.000) 8.141 6.914 ( -8.714 -0.000 0.000) 8.714 7.333 ( 4.887 0.000 0.000) 4.887 7.346 ( -2.286 -0.000 0.000) 2.286 10.540 ( 0.391 0.000 0.000) 0.391 10.810 ( 0.318 0.000 0.000) 0.318 11.373 ( 1.815 0.000 0.000) 1.815 13.275 ( 1.657 0.000 0.000) 1.657 13.515 ( -81.313 -0.000 0.000) 81.313 17.045 ( -2.492 -0.000 0.000) 2.492 18.559 ( 59.642 0.000 0.000) 59.642 20.539 ( -8.143 -0.000 0.000) 8.143 ======================= Grid point 747 (225/248) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -14.071 3.893 0.000) 14.599 2.601 ( 2.818 0.929 0.000) 2.967 3.114 ( -4.829 -1.528 0.000) 5.065 3.687 ( 1.585 2.838 0.000) 3.250 5.472 ( 0.101 -0.720 0.000) 0.727 5.504 ( 5.275 -1.779 0.000) 5.568 6.341 ( 9.298 2.115 0.000) 9.535 6.778 ( -9.051 0.773 0.000) 9.084 7.287 ( -2.924 2.566 0.000) 3.890 7.412 ( 4.040 -1.550 0.000) 4.327 10.520 ( 0.522 3.503 0.000) 3.542 10.816 ( -0.479 0.186 0.000) 0.514 11.312 ( 3.243 11.326 0.000) 11.781 12.353 ( -73.134 2.980 0.000) 73.194 13.412 ( 1.909 -14.124 0.000) 14.253 16.981 ( -3.137 2.956 0.000) 4.311 19.337 ( 47.605 1.155 0.000) 47.619 20.420 ( -11.029 -3.184 0.000) 11.480 ======================= Grid point 749 (226/248) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -14.551 4.956 0.000) 15.372 2.612 ( 0.812 1.380 0.000) 1.602 3.124 ( 1.626 -2.306 0.000) 2.822 3.655 ( 1.783 4.904 0.000) 5.218 5.422 ( -7.869 -4.613 0.000) 9.122 5.631 ( 7.087 1.146 0.000) 7.179 6.431 ( 8.688 3.933 0.000) 9.537 6.640 ( -7.691 1.031 0.000) 7.760 7.199 ( -2.956 3.420 0.000) 4.520 7.490 ( 2.958 -2.108 0.000) 3.632 10.463 ( 0.358 5.343 0.000) 5.355 10.753 ( -2.528 6.252 0.000) 6.744 11.226 ( 5.300 8.039 -0.000) 9.629 11.395 ( -50.290 2.357 0.000) 50.345 13.679 ( 1.512 -18.615 0.000) 18.677 16.881 ( -3.005 4.563 0.000) 5.464 19.858 ( 19.720 -1.493 0.000) 19.777 20.343 ( -0.819 -1.886 0.000) 2.056 ======================= Grid point 751 (227/248) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -11.046 1.820 0.000) 11.195 2.587 ( -1.956 0.887 0.000) 2.148 3.191 ( 2.522 -1.561 0.000) 2.966 3.607 ( 1.831 5.333 0.000) 5.639 5.388 ( -6.993 -6.254 0.000) 9.381 5.670 ( 1.412 1.844 0.000) 2.322 6.472 ( 6.067 5.658 0.000) 8.295 6.541 ( -4.408 0.048 0.000) 4.408 7.117 ( -2.007 2.691 0.000) 3.356 7.550 ( 1.348 -1.667 0.000) 2.144 10.370 ( -3.936 4.590 0.000) 6.046 10.597 ( -2.981 8.415 0.000) 8.927 10.927 ( -10.592 -1.617 0.000) 10.715 11.225 ( 4.344 3.510 0.000) 5.585 13.949 ( 1.064 -16.030 0.000) 16.065 16.777 ( -2.238 4.245 0.000) 4.799 19.871 ( -22.606 -8.907 0.000) 24.297 20.519 ( 22.921 5.560 0.000) 23.586 ======================= Grid point 753 (228/248) ======================= q-point: (-0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -3.670 -4.871 0.000) 6.099 2.538 ( -4.192 -0.570 0.000) 4.231 3.224 ( 1.157 0.297 0.000) 1.194 3.565 ( 1.700 4.162 0.000) 4.496 5.399 ( -5.589 -7.482 0.000) 9.339 5.636 ( -2.095 1.173 0.000) 2.401 6.443 ( 2.437 7.159 -0.000) 7.562 6.522 ( -0.125 -2.243 0.000) 2.246 7.074 ( -0.432 0.700 0.000) 0.823 7.571 ( -0.516 -0.315 0.000) 0.605 10.257 ( -4.597 1.042 0.000) 4.714 10.462 ( -2.974 3.959 0.000) 4.952 11.129 ( 28.573 -6.666 0.000) 29.341 11.225 ( 1.992 3.420 -0.000) 3.958 14.142 ( 0.699 -8.879 0.000) 8.906 16.708 ( -1.137 1.721 0.000) 2.062 19.563 ( -36.949 -9.563 0.000) 38.166 20.734 ( 18.863 7.856 0.000) 20.434 ======================= Grid point 755 (229/248) ======================= q-point: (-0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 4.012 -11.195 0.000) 11.892 2.489 ( -4.989 -2.232 0.000) 5.465 3.241 ( 4.029 1.691 0.000) 4.369 3.543 ( 1.321 1.968 0.000) 2.370 5.387 ( -9.307 -4.340 0.000) 10.269 5.624 ( 0.098 -3.081 0.000) 3.082 6.344 ( -1.050 8.169 0.000) 8.236 6.599 ( 3.468 -4.833 0.000) 5.949 7.087 ( 1.191 -1.740 0.000) 2.109 7.542 ( -2.236 1.422 0.000) 2.650 10.215 ( -2.927 -2.655 0.000) 3.952 10.412 ( -2.800 -3.234 0.000) 4.278 11.180 ( -0.165 4.796 0.000) 4.799 11.896 ( 56.609 -12.200 0.000) 57.909 14.207 ( 0.353 0.956 0.000) 1.020 16.703 ( -0.027 -2.363 0.000) 2.363 19.071 ( -47.943 -7.912 0.000) 48.591 20.845 ( 12.998 8.910 0.000) 15.759 ======================= Grid point 757 (230/248) ======================= q-point: (-0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 7.365 -13.672 0.000) 15.530 2.460 ( -4.219 -3.150 0.000) 5.266 3.310 ( 8.982 1.851 0.000) 9.170 3.547 ( 0.709 -0.482 0.000) 0.857 5.259 ( -12.442 -1.059 0.000) 12.487 5.709 ( 2.758 -4.744 0.000) 5.487 6.191 ( -4.001 7.792 0.000) 8.759 6.744 ( 5.002 -6.409 0.000) 8.130 7.151 ( 2.239 -3.559 0.000) 4.205 7.469 ( -3.411 2.916 0.000) 4.488 10.243 ( -1.817 -5.944 0.000) 6.216 10.478 ( -1.980 -11.119 0.000) 11.294 11.091 ( -1.415 5.899 0.000) 6.067 13.040 ( 70.503 -15.904 0.000) 72.274 14.125 ( 0.039 10.804 0.000) 10.805 16.770 ( 0.717 -6.024 0.000) 6.067 18.402 ( -56.219 -5.101 0.000) 56.450 20.870 ( 8.222 9.073 0.000) 12.245 ======================= Grid point 759 (231/248) ======================= q-point: (-0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 5.297 -12.191 0.000) 13.292 2.456 ( -2.337 -3.001 0.000) 3.804 3.432 ( 9.259 0.914 0.000) 9.304 3.575 ( 0.125 -2.392 0.000) 2.395 5.087 ( -10.483 0.613 0.000) 10.501 5.816 ( 6.087 -0.287 0.000) 6.094 6.024 ( -7.118 3.185 0.000) 7.798 6.906 ( 4.103 -6.455 0.000) 7.649 7.240 ( 2.282 -3.827 0.000) 4.456 7.369 ( -3.646 3.566 0.000) 5.100 10.323 ( -0.765 -7.659 0.000) 7.697 10.667 ( -0.338 -17.715 0.000) 17.718 10.983 ( -1.721 5.806 0.000) 6.055 13.916 ( -0.141 18.063 0.000) 18.064 14.286 ( 63.946 -17.222 0.000) 66.224 16.880 ( 0.757 -7.451 0.000) 7.489 17.626 ( -53.855 -1.433 0.000) 53.874 20.834 ( 4.052 8.350 0.000) 9.281 ======================= Grid point 761 (232/248) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( -0.000 -2.142 0.000) 2.142 2.503 ( -0.000 -8.424 0.000) 8.424 3.505 ( 0.000 0.030 0.000) 0.030 3.615 ( -0.000 -3.117 0.000) 3.117 4.985 ( 0.000 1.195 0.000) 1.195 5.801 ( 0.000 8.850 0.000) 8.850 5.993 ( -0.000 -6.451 0.000) 6.451 7.025 ( -0.000 -5.105 0.000) 5.105 7.273 ( 0.000 4.028 0.000) 4.028 7.320 ( -0.000 -3.708 0.000) 3.708 10.424 ( -0.000 -6.949 0.000) 6.949 10.885 ( 0.000 5.252 0.000) 5.252 10.952 ( -0.000 -21.071 0.000) 21.071 13.634 ( 0.000 20.614 0.000) 20.614 15.100 ( -0.000 -15.185 0.000) 15.185 16.986 ( -0.000 -6.339 0.000) 6.339 17.120 ( 0.000 1.651 0.000) 1.651 20.757 ( 0.000 6.567 0.000) 6.567 ======================= Grid point 767 (233/248) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( -17.325 -0.000 0.000) 17.325 2.634 ( 0.456 0.000 0.000) 0.456 3.087 ( 2.273 0.000 0.000) 2.273 3.738 ( 2.339 0.000 0.000) 2.339 5.351 ( -7.997 -0.000 0.000) 7.997 5.646 ( 7.367 0.000 0.000) 7.367 6.494 ( 9.603 0.000 0.000) 9.603 6.653 ( -8.544 -0.000 0.000) 8.544 7.252 ( -4.067 -0.000 -0.000) 4.067 7.457 ( 3.495 0.000 0.000) 3.495 10.550 ( 0.195 0.000 0.000) 0.195 10.820 ( 0.265 0.000 0.000) 0.265 11.427 ( -54.612 -0.000 -0.000) 54.612 11.430 ( 1.792 0.000 0.000) 1.792 13.342 ( 2.807 0.000 0.000) 2.807 16.951 ( -3.704 -0.000 0.000) 3.704 19.815 ( 9.141 0.000 0.000) 9.141 20.331 ( 9.673 0.000 0.000) 9.673 ======================= Grid point 769 (234/248) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -18.218 1.007 0.000) 18.246 2.610 ( -3.118 0.554 0.000) 3.167 3.151 ( 4.504 -0.873 0.000) 4.588 3.750 ( 2.700 3.392 0.000) 4.335 5.252 ( -8.181 -2.760 0.000) 8.634 5.700 ( 0.524 0.467 0.000) 0.702 6.541 ( -6.572 -0.054 0.000) 6.573 6.610 ( 8.852 2.992 0.000) 9.345 7.180 ( -4.179 1.305 -0.000) 4.378 7.508 ( 2.401 -0.936 0.000) 2.577 10.516 ( -2.140 4.381 0.000) 4.876 10.797 ( -0.861 3.772 0.000) 3.869 10.859 ( -21.727 -2.536 -0.000) 21.874 11.398 ( 2.373 6.772 0.000) 7.176 13.479 ( 2.598 -12.544 0.000) 12.810 16.881 ( -3.524 2.242 0.000) 4.177 19.671 ( -24.125 -4.108 0.000) 24.473 20.631 ( 24.767 2.038 0.000) 24.851 ======================= Grid point 771 (235/248) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -15.101 -2.592 0.000) 15.321 2.534 ( -6.344 0.151 0.000) 6.346 3.220 ( 3.595 -0.344 0.000) 3.611 3.724 ( 2.761 5.772 0.000) 6.398 5.198 ( -7.198 -5.733 0.000) 9.203 5.654 ( -5.568 0.336 0.000) 5.578 6.474 ( -3.429 -1.137 0.000) 3.613 6.658 ( 6.942 6.586 0.000) 9.569 7.106 ( -3.206 1.099 -0.000) 3.389 7.547 ( 0.995 -0.995 0.000) 1.407 10.371 ( -3.707 6.630 0.000) 7.596 10.677 ( -2.575 8.944 0.000) 9.307 10.914 ( 15.670 -8.487 0.000) 17.821 11.349 ( 3.000 5.475 0.000) 6.243 13.730 ( 1.871 -16.999 0.000) 17.101 16.794 ( -2.766 3.251 0.000) 4.268 19.316 ( -35.172 -6.966 0.000) 35.855 20.905 ( 18.541 4.043 0.000) 18.977 ======================= Grid point 773 (236/248) ======================= q-point: (-0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -7.439 -10.077 0.000) 12.525 2.437 ( -7.537 -1.359 0.000) 7.658 3.276 ( 5.404 0.938 0.000) 5.484 3.674 ( 2.500 6.412 0.000) 6.882 5.202 ( -6.047 -7.716 0.000) 9.803 5.549 ( -9.039 -1.561 0.000) 9.173 6.479 ( -0.148 -3.314 -0.000) 3.317 6.625 ( 4.713 9.986 0.000) 11.043 7.065 ( -1.456 -0.247 0.000) 1.477 7.559 ( -0.481 -0.064 0.000) 0.486 10.247 ( -2.080 5.085 0.000) 5.494 10.502 ( -3.233 8.645 0.000) 9.230 11.317 ( 2.036 4.770 0.000) 5.187 11.513 ( 43.127 -14.609 0.000) 45.534 13.983 ( 1.201 -14.864 0.000) 14.913 16.718 ( -1.728 2.580 0.000) 3.106 18.844 ( -44.023 -7.402 0.000) 44.641 21.057 ( 12.257 5.768 0.000) 13.547 ======================= Grid point 775 (237/248) ======================= q-point: (-0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 0.225 -16.523 0.000) 16.524 2.367 ( -6.168 -3.177 0.000) 6.938 3.362 ( 9.066 1.875 0.000) 9.258 3.621 ( 1.828 5.387 0.000) 5.689 5.197 ( -7.983 -4.065 0.000) 8.958 5.486 ( -6.979 -7.992 0.000) 10.610 6.516 ( 2.547 12.741 -0.000) 12.993 6.560 ( 1.965 -5.939 0.000) 6.256 7.074 ( 0.397 -2.101 0.000) 2.138 7.533 ( -1.654 1.541 0.000) 2.261 10.170 ( -1.840 1.569 0.000) 2.418 10.367 ( -2.983 3.431 0.000) 4.547 11.263 ( 0.693 5.794 0.000) 5.835 12.516 ( 57.908 -20.616 0.000) 61.469 14.163 ( 0.643 -8.041 0.000) 8.067 16.680 ( -0.704 -0.030 0.000) 0.705 18.249 ( -49.783 -5.289 0.000) 50.063 21.107 ( 7.508 7.182 0.000) 10.391 ======================= Grid point 777 (238/248) ======================= q-point: (-0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 2.743 -18.389 0.000) 18.592 2.352 ( -3.166 -4.171 0.000) 5.237 3.469 ( 8.264 1.826 0.000) 8.463 3.579 ( 0.841 3.134 0.000) 3.245 5.095 ( -8.158 -0.172 0.000) 8.160 5.572 ( -2.227 -12.197 0.000) 12.399 6.345 ( 0.626 14.410 0.000) 14.424 6.691 ( 2.039 -7.902 0.000) 8.161 7.130 ( 1.353 -3.691 0.000) 3.931 7.472 ( -1.921 3.228 0.000) 3.757 10.156 ( -1.088 -2.791 0.000) 2.996 10.335 ( -1.777 -4.266 0.000) 4.621 11.176 ( -0.092 6.976 0.000) 6.977 13.672 ( 51.374 -25.534 0.000) 57.370 14.217 ( 0.210 1.558 -0.000) 1.572 16.702 ( -0.016 -3.834 0.000) 3.834 17.590 ( -44.086 -0.984 0.000) 44.097 21.079 ( 3.704 8.216 0.000) 9.013 ======================= Grid point 779 (239/248) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( -0.000 -16.246 0.000) 16.246 2.388 ( -0.000 -3.951 0.000) 3.951 3.517 ( 0.000 0.985 0.000) 0.985 3.561 ( 0.000 0.258 0.000) 0.258 5.019 ( 0.000 0.976 0.000) 0.976 5.732 ( -0.000 -11.692 0.000) 11.692 6.140 ( 0.000 14.374 0.000) 14.374 6.825 ( -0.000 -8.363 0.000) 8.363 7.202 ( -0.000 -4.351 0.000) 4.351 7.399 ( 0.000 4.359 0.000) 4.359 10.215 ( -0.000 -6.317 0.000) 6.317 10.441 ( -0.000 -12.395 0.000) 12.395 11.071 ( 0.000 7.379 0.000) 7.379 14.126 ( 0.000 11.149 0.000) 11.149 14.496 ( -0.000 -26.669 -0.000) 26.669 16.781 ( -0.000 -6.821 0.000) 6.821 17.184 ( 0.000 2.716 0.000) 2.716 20.985 ( 0.000 8.738 0.000) 8.738 ======================= Grid point 789 (240/248) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -20.225 -0.000 0.000) 20.225 2.537 ( -7.249 -0.000 0.000) 7.249 3.214 ( 4.836 0.000 0.000) 4.836 3.818 ( 2.974 0.000 0.000) 2.974 5.112 ( -8.043 -0.000 0.000) 8.043 5.659 ( -6.401 -0.000 0.000) 6.401 6.458 ( -4.506 -0.000 0.000) 4.506 6.758 ( 8.196 0.000 0.000) 8.196 7.123 ( -4.575 -0.000 -0.000) 4.575 7.531 ( 1.571 0.000 0.000) 1.571 10.548 ( -0.297 -0.000 0.000) 0.297 10.714 ( 7.491 0.000 0.000) 7.491 10.823 ( -0.111 -0.000 -0.000) 0.111 11.466 ( 0.618 0.000 0.000) 0.618 13.428 ( 2.969 0.000 0.000) 2.969 16.845 ( -3.330 -0.000 0.000) 3.330 19.212 ( -34.129 -0.000 0.000) 34.129 20.962 ( 18.297 0.000 0.000) 18.297 ======================= Grid point 791 (241/248) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -18.351 -4.536 0.000) 18.903 2.413 ( -9.575 -0.390 0.000) 9.583 3.296 ( 7.239 0.434 0.000) 7.252 3.834 ( 2.774 3.588 0.000) 4.535 5.028 ( -6.810 -3.598 0.000) 7.702 5.526 ( -11.623 -0.312 0.000) 11.627 6.416 ( -2.105 -1.120 0.000) 2.384 6.837 ( 6.506 4.182 0.000) 7.735 7.060 ( -3.782 -0.125 -0.000) 3.784 7.550 ( 0.627 -0.362 0.000) 0.724 10.469 ( 0.159 8.581 0.000) 8.582 10.769 ( -0.974 6.906 0.000) 6.974 11.113 ( 32.735 -11.709 0.000) 34.766 11.444 ( 0.827 3.532 0.000) 3.627 13.553 ( 2.303 -11.212 0.000) 11.446 16.789 ( -2.593 1.666 0.000) 3.082 18.690 ( -40.574 -2.998 0.000) 40.684 21.164 ( 11.736 1.852 0.000) 11.881 ======================= Grid point 793 (242/248) ======================= q-point: (-0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -10.694 -14.059 0.000) 17.664 2.293 ( -8.562 -1.941 0.000) 8.779 3.415 ( 10.830 1.719 0.000) 10.965 3.800 ( 2.188 6.032 0.000) 6.417 5.021 ( -4.430 -6.788 0.000) 8.105 5.351 ( -13.843 -2.034 0.000) 13.992 6.430 ( -0.144 -3.113 0.000) 3.116 6.828 ( 4.415 8.336 0.000) 9.433 7.025 ( -2.139 -1.312 0.000) 2.509 7.556 ( -0.185 0.123 0.000) 0.222 10.337 ( -0.371 9.351 0.000) 9.358 10.611 ( -1.785 11.420 0.000) 11.559 11.404 ( 0.987 4.040 0.000) 4.158 11.923 ( 45.492 -19.885 0.000) 49.649 13.779 ( 1.335 -15.822 0.000) 15.879 16.729 ( -1.605 2.369 0.000) 2.861 18.125 ( -42.854 -3.222 0.000) 42.975 21.259 ( 6.867 3.526 0.000) 7.719 ======================= Grid point 795 (243/248) ======================= q-point: (-0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -2.472 -20.963 0.000) 21.108 2.235 ( -4.617 -3.766 0.000) 5.958 3.537 ( 9.119 2.844 0.000) 9.552 3.733 ( 1.200 6.781 0.000) 6.886 5.059 ( -3.171 -3.484 0.000) 4.711 5.238 ( -8.992 -9.244 0.000) 12.896 6.496 ( 0.679 -5.467 0.000) 5.509 6.732 ( 2.137 11.879 0.000) 12.070 7.037 ( -0.479 -2.841 0.000) 2.882 7.539 ( -0.569 1.411 0.000) 1.521 10.211 ( -0.634 6.750 0.000) 6.779 10.430 ( -1.447 9.820 0.000) 9.926 11.351 ( 0.473 5.135 0.000) 5.157 12.900 ( 38.571 -27.661 0.000) 47.464 14.010 ( 0.534 -14.171 -0.000) 14.181 16.682 ( -0.644 1.662 0.000) 1.783 17.573 ( -34.189 -0.284 0.000) 34.190 21.271 ( 3.256 5.130 0.000) 6.076 ======================= Grid point 797 (244/248) ======================= q-point: (-0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -0.000 -21.692 0.000) 21.692 2.263 ( -0.000 -4.604 0.000) 4.604 3.568 ( 0.000 2.673 0.000) 2.673 3.651 ( 0.000 5.762 0.000) 5.762 5.034 ( 0.000 0.107 0.000) 0.107 5.361 ( -0.000 -13.925 0.000) 13.925 6.560 ( 0.000 14.293 0.000) 14.293 6.595 ( -0.000 -7.327 0.000) 7.327 7.084 ( -0.000 -3.871 0.000) 3.871 7.503 ( 0.000 2.805 0.000) 2.805 10.142 ( 0.000 2.047 0.000) 2.047 10.319 ( 0.000 3.729 0.000) 3.729 11.272 ( 0.000 6.416 0.000) 6.416 13.653 ( -0.000 -31.779 0.000) 31.779 14.173 ( -0.000 -7.721 -0.000) 7.721 16.669 ( -0.000 -0.674 0.000) 0.674 17.264 ( 0.000 2.778 0.000) 2.778 21.211 ( 0.000 6.733 0.000) 6.733 ======================= Grid point 811 (245/248) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -18.406 -0.000 0.000) 18.406 2.264 ( -9.691 -0.000 0.000) 9.691 3.443 ( 12.020 0.000 0.000) 12.020 3.896 ( 2.162 0.000 0.000) 2.162 4.912 ( -5.271 -0.000 0.000) 5.271 5.327 ( -14.730 -0.000 0.000) 14.730 6.386 ( -0.880 -0.000 0.000) 0.880 6.950 ( 4.713 0.000 0.000) 4.713 7.006 ( -3.118 -0.000 -0.000) 3.118 7.554 ( 0.220 0.000 0.000) 0.220 10.537 ( -0.401 -0.000 0.000) 0.401 10.816 ( -0.282 -0.000 0.000) 0.282 11.471 ( -0.095 -0.000 -0.000) 0.095 11.573 ( 41.283 0.000 0.000) 41.283 13.502 ( 1.919 0.000 0.000) 1.919 16.768 ( -1.890 -0.000 0.000) 1.890 18.078 ( -39.875 -0.000 0.000) 39.875 21.308 ( 6.640 0.000 0.000) 6.640 ======================= Grid point 813 (246/248) ======================= q-point: (-0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -10.273 -13.123 0.000) 16.665 2.157 ( -5.888 -1.530 0.000) 6.083 3.610 ( 10.887 1.779 0.000) 11.031 3.895 ( 1.201 3.549 0.000) 3.747 4.889 ( -2.174 -4.953 0.000) 5.409 5.128 ( -12.189 -0.849 0.000) 12.218 6.392 ( -0.099 -1.856 0.000) 1.859 6.970 ( 2.429 4.483 0.000) 5.099 6.978 ( -1.551 -1.115 0.000) 1.911 7.555 ( -0.043 0.023 0.000) 0.049 10.467 ( -0.142 8.244 0.000) 8.245 10.746 ( -0.451 8.738 0.000) 8.750 11.455 ( 0.103 2.030 0.000) 2.033 12.236 ( 31.055 -15.712 0.000) 34.803 13.602 ( 0.926 -10.509 0.000) 10.550 16.737 ( -0.936 1.374 0.000) 1.663 17.570 ( -28.288 -0.002 0.000) 28.288 21.365 ( 2.996 1.627 0.000) 3.409 ======================= Grid point 815 (247/248) ======================= q-point: (-0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -0.000 -21.520 0.000) 21.520 2.148 ( -0.000 -3.199 0.000) 3.199 3.659 ( 0.000 3.334 0.000) 3.334 3.835 ( 0.000 6.028 0.000) 6.028 4.997 ( -0.000 -10.658 0.000) 10.658 5.030 ( -0.000 -0.259 0.000) 0.259 6.433 ( -0.000 -3.905 0.000) 3.905 6.895 ( 0.000 8.643 0.000) 8.643 6.993 ( -0.000 -2.377 0.000) 2.377 7.551 ( 0.000 0.621 0.000) 0.621 10.330 ( 0.000 9.989 0.000) 9.989 10.584 ( 0.000 12.470 0.000) 12.470 11.417 ( 0.000 3.610 0.000) 3.610 12.793 ( -0.000 -26.700 0.000) 26.700 13.799 ( -0.000 -15.402 -0.000) 15.402 16.705 ( 0.000 2.072 0.000) 2.072 17.331 ( 0.000 1.750 0.000) 1.750 21.352 ( 0.000 3.270 0.000) 3.270 ======================= Grid point 835 (248/248) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.16e-06 2.72e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -0.000 -0.000 0.000) 0.000 2.100 ( -0.000 -0.000 0.000) 0.000 3.716 ( -0.000 -0.000 0.000) 0.000 3.930 ( -0.000 -0.000 0.000) 0.000 4.831 ( -0.000 -0.000 0.000) 0.000 5.026 ( -0.000 -0.000 0.000) 0.000 6.378 ( -0.000 -0.000 0.000) 0.000 6.958 ( -0.000 -0.000 0.000) 0.000 7.020 ( -0.000 -0.000 0.000) 0.000 7.555 ( -0.000 -0.000 0.000) 0.000 10.530 ( -0.000 -0.000 0.000) 0.000 10.811 ( -0.000 -0.000 0.000) 0.000 11.469 ( -0.000 -0.000 0.000) 0.000 12.354 ( -0.000 -0.000 0.000) 0.000 13.531 ( -0.000 -0.000 0.000) 0.000 16.740 ( -0.000 -0.000 0.000) 0.000 17.356 ( -0.000 -0.000 0.000) 0.000 21.398 ( -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 3/25200 10.0 1268.406 768.762 797.287 0.000 0.000 0.000 3/25200 20.0 436.686 279.385 275.459 0.000 0.000 0.000 3/25200 30.0 187.808 128.207 147.990 0.000 0.000 0.000 3/25200 40.0 106.620 73.308 100.965 0.000 0.000 0.000 3/25200 50.0 71.567 48.975 77.555 0.000 0.000 0.000 3/25200 60.0 52.945 36.124 63.347 0.000 0.000 0.000 3/25200 70.0 41.647 28.418 53.628 0.000 0.000 0.000 3/25200 80.0 34.171 23.360 46.488 0.000 0.000 0.000 3/25200 90.0 28.919 19.814 40.997 0.000 0.000 0.000 3/25200 100.0 25.064 17.202 36.640 0.000 0.000 0.000 3/25200 110.0 22.136 15.205 33.099 0.000 0.000 0.000 3/25200 120.0 19.851 13.630 30.168 0.000 0.000 0.000 3/25200 130.0 18.024 12.358 27.702 0.000 0.000 0.000 3/25200 140.0 16.535 11.309 25.603 0.000 0.000 0.000 3/25200 150.0 15.300 10.430 23.794 0.000 0.000 0.000 3/25200 160.0 14.260 9.683 22.221 0.000 0.000 0.000 3/25200 170.0 13.371 9.039 20.841 0.000 0.000 0.000 3/25200 180.0 12.602 8.479 19.622 0.000 0.000 0.000 3/25200 190.0 11.930 7.988 18.538 0.000 0.000 0.000 3/25200 200.0 11.337 7.552 17.567 0.000 0.000 0.000 3/25200 210.0 10.808 7.163 16.693 0.000 0.000 0.000 3/25200 220.0 10.334 6.814 15.902 0.000 0.000 0.000 3/25200 230.0 9.905 6.499 15.184 0.000 0.000 0.000 3/25200 240.0 9.514 6.213 14.528 0.000 0.000 0.000 3/25200 250.0 9.157 5.952 13.927 0.000 0.000 0.000 3/25200 260.0 8.828 5.713 13.374 0.000 0.000 0.000 3/25200 270.0 8.525 5.492 12.864 0.000 0.000 0.000 3/25200 280.0 8.243 5.289 12.392 0.000 0.000 0.000 3/25200 290.0 7.981 5.101 11.953 0.000 0.000 0.000 3/25200 300.0 7.736 4.926 11.545 0.000 0.000 0.000 3/25200 310.0 7.506 4.763 11.164 0.000 0.000 0.000 3/25200 320.0 7.291 4.611 10.808 0.000 0.000 0.000 3/25200 330.0 7.088 4.468 10.474 0.000 0.000 0.000 3/25200 340.0 6.896 4.334 10.160 0.000 0.000 0.000 3/25200 350.0 6.715 4.208 9.865 0.000 0.000 0.000 3/25200 360.0 6.544 4.090 9.587 0.000 0.000 0.000 3/25200 370.0 6.381 3.978 9.324 0.000 0.000 0.000 3/25200 380.0 6.226 3.872 9.075 0.000 0.000 0.000 3/25200 390.0 6.079 3.772 8.839 0.000 0.000 0.000 3/25200 400.0 5.938 3.676 8.615 0.000 0.000 0.000 3/25200 410.0 5.804 3.586 8.403 0.000 0.000 0.000 3/25200 420.0 5.676 3.500 8.201 0.000 0.000 0.000 3/25200 430.0 5.554 3.418 8.008 0.000 0.000 0.000 3/25200 440.0 5.436 3.340 7.824 0.000 0.000 0.000 3/25200 450.0 5.324 3.265 7.649 0.000 0.000 0.000 3/25200 460.0 5.216 3.194 7.481 0.000 0.000 0.000 3/25200 470.0 5.112 3.126 7.321 0.000 0.000 0.000 3/25200 480.0 5.012 3.060 7.167 0.000 0.000 0.000 3/25200 490.0 4.916 2.998 7.020 0.000 0.000 0.000 3/25200 500.0 4.824 2.938 6.878 0.000 0.000 0.000 3/25200 510.0 4.735 2.880 6.743 0.000 0.000 0.000 3/25200 520.0 4.649 2.824 6.612 0.000 0.000 0.000 3/25200 530.0 4.567 2.771 6.487 0.000 0.000 0.000 3/25200 540.0 4.487 2.720 6.366 0.000 0.000 0.000 3/25200 550.0 4.410 2.670 6.250 0.000 0.000 0.000 3/25200 560.0 4.335 2.622 6.138 0.000 0.000 0.000 3/25200 570.0 4.263 2.576 6.029 0.000 0.000 0.000 3/25200 580.0 4.193 2.532 5.925 0.000 0.000 0.000 3/25200 590.0 4.125 2.489 5.824 0.000 0.000 0.000 3/25200 600.0 4.060 2.447 5.727 0.000 0.000 0.000 3/25200 610.0 3.997 2.407 5.633 0.000 0.000 0.000 3/25200 620.0 3.935 2.369 5.541 0.000 0.000 0.000 3/25200 630.0 3.875 2.331 5.453 0.000 0.000 0.000 3/25200 640.0 3.817 2.295 5.368 0.000 0.000 0.000 3/25200 650.0 3.761 2.259 5.285 0.000 0.000 0.000 3/25200 660.0 3.707 2.225 5.205 0.000 0.000 0.000 3/25200 670.0 3.654 2.192 5.127 0.000 0.000 0.000 3/25200 680.0 3.602 2.160 5.051 0.000 0.000 0.000 3/25200 690.0 3.552 2.128 4.978 0.000 0.000 0.000 3/25200 700.0 3.503 2.098 4.906 0.000 0.000 0.000 3/25200 710.0 3.455 2.068 4.837 0.000 0.000 0.000 3/25200 720.0 3.409 2.040 4.770 0.000 0.000 0.000 3/25200 730.0 3.364 2.012 4.704 0.000 0.000 0.000 3/25200 740.0 3.320 1.985 4.641 0.000 0.000 0.000 3/25200 750.0 3.278 1.958 4.579 0.000 0.000 0.000 3/25200 760.0 3.236 1.933 4.518 0.000 0.000 0.000 3/25200 770.0 3.195 1.907 4.460 0.000 0.000 0.000 3/25200 780.0 3.156 1.883 4.402 0.000 0.000 0.000 3/25200 790.0 3.117 1.859 4.347 0.000 0.000 0.000 3/25200 800.0 3.079 1.836 4.292 0.000 0.000 0.000 3/25200 810.0 3.042 1.813 4.239 0.000 0.000 0.000 3/25200 820.0 3.006 1.791 4.187 0.000 0.000 0.000 3/25200 830.0 2.971 1.770 4.137 0.000 0.000 0.000 3/25200 840.0 2.937 1.749 4.088 0.000 0.000 0.000 3/25200 850.0 2.903 1.728 4.039 0.000 0.000 0.000 3/25200 860.0 2.870 1.708 3.992 0.000 0.000 0.000 3/25200 870.0 2.838 1.688 3.946 0.000 0.000 0.000 3/25200 880.0 2.807 1.669 3.902 0.000 0.000 0.000 3/25200 890.0 2.776 1.651 3.858 0.000 0.000 0.000 3/25200 900.0 2.746 1.632 3.815 0.000 0.000 0.000 3/25200 910.0 2.716 1.614 3.773 0.000 0.000 0.000 3/25200 920.0 2.688 1.597 3.732 0.000 0.000 0.000 3/25200 930.0 2.659 1.580 3.692 0.000 0.000 0.000 3/25200 940.0 2.632 1.563 3.652 0.000 0.000 0.000 3/25200 950.0 2.605 1.546 3.614 0.000 0.000 0.000 3/25200 960.0 2.578 1.530 3.576 0.000 0.000 0.000 3/25200 970.0 2.552 1.515 3.539 0.000 0.000 0.000 3/25200 980.0 2.527 1.499 3.503 0.000 0.000 0.000 3/25200 990.0 2.502 1.484 3.468 0.000 0.000 0.000 3/25200 1000.0 2.477 1.469 3.433 0.000 0.000 0.000 3/25200 Thermal conductivity related properties were written into "kappa-m101014.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:46:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|