----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:46:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -1.766113545000000 1.869377020000000 6.384070735000000 b 1.766113545000000 -1.869377020000000 6.384070735000000 c 1.766113545000000 1.869377020000000 -6.384070735000000 Atomic positions (fractional): *1 H 0.00000000000000 0.50000000000000 0.50000000000000 1.008 *2 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 *3 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 *4 O 0.82389516218903 0.82389516218903 0.00000000000000 15.999 5 O 0.17610483781097 0.17610483781097 0.00000000000000 15.999 *6 La 0.36359631143498 0.36359631143498 0.00000000000000 138.905 7 La 0.63640368856502 0.63640368856502 0.00000000000000 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.532227090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.738754040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.768141470000000 Atomic positions (fractional): *1 H 0.50000000000000 0.00000000000000 0.00000000000000 1.008 > 1 2 H 0.00000000000000 0.50000000000000 0.50000000000000 1.008 > 1 *3 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 2 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 2 *5 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 3 *6 O 0.50000000000000 0.50000000000000 0.32389516218903 15.999 > 4 7 O 0.00000000000000 0.00000000000000 0.17610483781097 15.999 > 5 8 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 3 9 O 0.00000000000000 0.00000000000000 0.82389516218903 15.999 > 4 10 O 0.50000000000000 0.50000000000000 0.67610483781097 15.999 > 5 *11 La 0.00000000000000 0.00000000000000 0.36359631143498 138.905 > 6 12 La 0.50000000000000 0.50000000000000 0.13640368856502 138.905 > 7 13 La 0.50000000000000 0.50000000000000 0.86359631143498 138.905 > 6 14 La 0.00000000000000 0.00000000000000 0.63640368856502 138.905 > 7 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.596681270000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.216262120000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.768141470000000 Atomic positions (fractional): *1 H 0.16666666666667 0.00000000000000 0.00000000000000 1.008 > 1 2 H 0.50000000000000 0.00000000000000 0.00000000000000 1.008 > 1 3 H 0.83333333333333 0.00000000000000 0.00000000000000 1.008 > 1 4 H 0.16666666666667 0.33333333333333 0.00000000000000 1.008 > 1 5 H 0.50000000000000 0.33333333333333 0.00000000000000 1.008 > 1 6 H 0.83333333333333 0.33333333333333 0.00000000000000 1.008 > 1 7 H 0.16666666666667 0.66666666666667 0.00000000000000 1.008 > 1 8 H 0.50000000000000 0.66666666666667 0.00000000000000 1.008 > 1 9 H 0.83333333333333 0.66666666666667 0.00000000000000 1.008 > 1 10 H 0.00000000000000 0.16666666666667 0.50000000000000 1.008 > 1 11 H 0.33333333333333 0.16666666666667 0.50000000000000 1.008 > 1 12 H 0.66666666666667 0.16666666666667 0.50000000000000 1.008 > 1 13 H 0.00000000000000 0.50000000000000 0.50000000000000 1.008 > 1 14 H 0.33333333333333 0.50000000000000 0.50000000000000 1.008 > 1 15 H 0.66666666666667 0.50000000000000 0.50000000000000 1.008 > 1 16 H 0.00000000000000 0.83333333333333 0.50000000000000 1.008 > 1 17 H 0.33333333333333 0.83333333333333 0.50000000000000 1.008 > 1 18 H 0.66666666666667 0.83333333333333 0.50000000000000 1.008 > 1 *19 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 2 20 Li 0.33333333333333 0.00000000000000 0.00000000000000 6.941 > 2 21 Li 0.66666666666667 0.00000000000000 0.00000000000000 6.941 > 2 22 Li 0.00000000000000 0.33333333333333 0.00000000000000 6.941 > 2 23 Li 0.33333333333333 0.33333333333333 0.00000000000000 6.941 > 2 24 Li 0.66666666666667 0.33333333333333 0.00000000000000 6.941 > 2 25 Li 0.00000000000000 0.66666666666667 0.00000000000000 6.941 > 2 26 Li 0.33333333333333 0.66666666666667 0.00000000000000 6.941 > 2 27 Li 0.66666666666667 0.66666666666667 0.00000000000000 6.941 > 2 28 Li 0.16666666666667 0.16666666666667 0.50000000000000 6.941 > 2 29 Li 0.50000000000000 0.16666666666667 0.50000000000000 6.941 > 2 30 Li 0.83333333333333 0.16666666666667 0.50000000000000 6.941 > 2 31 Li 0.16666666666667 0.50000000000000 0.50000000000000 6.941 > 2 32 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 2 33 Li 0.83333333333333 0.50000000000000 0.50000000000000 6.941 > 2 34 Li 0.16666666666667 0.83333333333333 0.50000000000000 6.941 > 2 35 Li 0.50000000000000 0.83333333333333 0.50000000000000 6.941 > 2 36 Li 0.83333333333333 0.83333333333333 0.50000000000000 6.941 > 2 *37 O 0.00000000000000 0.16666666666667 0.00000000000000 15.999 > 3 38 O 0.33333333333333 0.16666666666667 0.00000000000000 15.999 > 3 39 O 0.66666666666667 0.16666666666667 0.00000000000000 15.999 > 3 40 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 3 41 O 0.33333333333333 0.50000000000000 0.00000000000000 15.999 > 3 42 O 0.66666666666667 0.50000000000000 0.00000000000000 15.999 > 3 43 O 0.00000000000000 0.83333333333333 0.00000000000000 15.999 > 3 44 O 0.33333333333333 0.83333333333333 0.00000000000000 15.999 > 3 45 O 0.66666666666667 0.83333333333333 0.00000000000000 15.999 > 3 *46 O 0.16666666666667 0.16666666666667 0.32389516218903 15.999 > 4 47 O 0.50000000000000 0.16666666666667 0.32389516218903 15.999 > 4 48 O 0.83333333333333 0.16666666666667 0.32389516218903 15.999 > 4 49 O 0.16666666666667 0.50000000000000 0.32389516218903 15.999 > 4 50 O 0.50000000000000 0.50000000000000 0.32389516218903 15.999 > 4 51 O 0.83333333333333 0.50000000000000 0.32389516218903 15.999 > 4 52 O 0.16666666666667 0.83333333333333 0.32389516218903 15.999 > 4 53 O 0.50000000000000 0.83333333333333 0.32389516218903 15.999 > 4 54 O 0.83333333333333 0.83333333333333 0.32389516218903 15.999 > 4 55 O 0.00000000000000 0.00000000000000 0.17610483781097 15.999 > 5 56 O 0.33333333333333 0.00000000000000 0.17610483781097 15.999 > 5 57 O 0.66666666666667 0.00000000000000 0.17610483781097 15.999 > 5 58 O 0.00000000000000 0.33333333333333 0.17610483781097 15.999 > 5 59 O 0.33333333333333 0.33333333333333 0.17610483781097 15.999 > 5 60 O 0.66666666666667 0.33333333333333 0.17610483781097 15.999 > 5 61 O 0.00000000000000 0.66666666666667 0.17610483781097 15.999 > 5 62 O 0.33333333333333 0.66666666666667 0.17610483781097 15.999 > 5 63 O 0.66666666666667 0.66666666666667 0.17610483781097 15.999 > 5 64 O 0.16666666666667 0.00000000000000 0.50000000000000 15.999 > 3 65 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 3 66 O 0.83333333333333 0.00000000000000 0.50000000000000 15.999 > 3 67 O 0.16666666666667 0.33333333333333 0.50000000000000 15.999 > 3 68 O 0.50000000000000 0.33333333333333 0.50000000000000 15.999 > 3 69 O 0.83333333333333 0.33333333333333 0.50000000000000 15.999 > 3 70 O 0.16666666666667 0.66666666666667 0.50000000000000 15.999 > 3 71 O 0.50000000000000 0.66666666666667 0.50000000000000 15.999 > 3 72 O 0.83333333333333 0.66666666666667 0.50000000000000 15.999 > 3 73 O 0.00000000000000 0.00000000000000 0.82389516218903 15.999 > 4 74 O 0.33333333333333 0.00000000000000 0.82389516218903 15.999 > 4 75 O 0.66666666666667 0.00000000000000 0.82389516218903 15.999 > 4 76 O 0.00000000000000 0.33333333333333 0.82389516218903 15.999 > 4 77 O 0.33333333333333 0.33333333333333 0.82389516218903 15.999 > 4 78 O 0.66666666666667 0.33333333333333 0.82389516218903 15.999 > 4 79 O 0.00000000000000 0.66666666666667 0.82389516218903 15.999 > 4 80 O 0.33333333333333 0.66666666666667 0.82389516218903 15.999 > 4 81 O 0.66666666666667 0.66666666666667 0.82389516218903 15.999 > 4 82 O 0.16666666666667 0.16666666666667 0.67610483781097 15.999 > 5 83 O 0.50000000000000 0.16666666666667 0.67610483781097 15.999 > 5 84 O 0.83333333333333 0.16666666666667 0.67610483781097 15.999 > 5 85 O 0.16666666666667 0.50000000000000 0.67610483781097 15.999 > 5 86 O 0.50000000000000 0.50000000000000 0.67610483781097 15.999 > 5 87 O 0.83333333333333 0.50000000000000 0.67610483781097 15.999 > 5 88 O 0.16666666666667 0.83333333333333 0.67610483781097 15.999 > 5 89 O 0.50000000000000 0.83333333333333 0.67610483781097 15.999 > 5 90 O 0.83333333333333 0.83333333333333 0.67610483781097 15.999 > 5 *91 La 0.00000000000000 0.00000000000000 0.36359631143498 138.905 > 6 92 La 0.33333333333333 0.00000000000000 0.36359631143498 138.905 > 6 93 La 0.66666666666667 0.00000000000000 0.36359631143498 138.905 > 6 94 La 0.00000000000000 0.33333333333333 0.36359631143498 138.905 > 6 95 La 0.33333333333333 0.33333333333333 0.36359631143498 138.905 > 6 96 La 0.66666666666667 0.33333333333333 0.36359631143498 138.905 > 6 97 La 0.00000000000000 0.66666666666667 0.36359631143498 138.905 > 6 98 La 0.33333333333333 0.66666666666667 0.36359631143498 138.905 > 6 99 La 0.66666666666667 0.66666666666667 0.36359631143498 138.905 > 6 100 La 0.16666666666667 0.16666666666667 0.13640368856502 138.905 > 7 101 La 0.50000000000000 0.16666666666667 0.13640368856502 138.905 > 7 102 La 0.83333333333333 0.16666666666667 0.13640368856502 138.905 > 7 103 La 0.16666666666667 0.50000000000000 0.13640368856502 138.905 > 7 104 La 0.50000000000000 0.50000000000000 0.13640368856502 138.905 > 7 105 La 0.83333333333333 0.50000000000000 0.13640368856502 138.905 > 7 106 La 0.16666666666667 0.83333333333333 0.13640368856502 138.905 > 7 107 La 0.50000000000000 0.83333333333333 0.13640368856502 138.905 > 7 108 La 0.83333333333333 0.83333333333333 0.13640368856502 138.905 > 7 109 La 0.16666666666667 0.16666666666667 0.86359631143498 138.905 > 6 110 La 0.50000000000000 0.16666666666667 0.86359631143498 138.905 > 6 111 La 0.83333333333333 0.16666666666667 0.86359631143498 138.905 > 6 112 La 0.16666666666667 0.50000000000000 0.86359631143498 138.905 > 6 113 La 0.50000000000000 0.50000000000000 0.86359631143498 138.905 > 6 114 La 0.83333333333333 0.50000000000000 0.86359631143498 138.905 > 6 115 La 0.16666666666667 0.83333333333333 0.86359631143498 138.905 > 6 116 La 0.50000000000000 0.83333333333333 0.86359631143498 138.905 > 6 117 La 0.83333333333333 0.83333333333333 0.86359631143498 138.905 > 6 118 La 0.00000000000000 0.00000000000000 0.63640368856502 138.905 > 7 119 La 0.33333333333333 0.00000000000000 0.63640368856502 138.905 > 7 120 La 0.66666666666667 0.00000000000000 0.63640368856502 138.905 > 7 121 La 0.00000000000000 0.33333333333333 0.63640368856502 138.905 > 7 122 La 0.33333333333333 0.33333333333333 0.63640368856502 138.905 > 7 123 La 0.66666666666667 0.33333333333333 0.63640368856502 138.905 > 7 124 La 0.00000000000000 0.66666666666667 0.63640368856502 138.905 > 7 125 La 0.33333333333333 0.66666666666667 0.63640368856502 138.905 > 7 126 La 0.66666666666667 0.66666666666667 0.63640368856502 138.905 > 7 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4693495 0.0000000 0.0000000 0.0000000 5.1998759 0.0000000 0.0000000 0.0000000 5.8630603 -------------------------- Born effective charges -------------------------- 1 H -0.5713239 0.0000000 0.0000000 0.0000000 -1.0299967 0.0000000 0.0000000 0.0000000 -1.1078791 2 Li 0.9008439 0.0000000 0.0000000 0.0000000 0.8051931 0.0000000 0.0000000 0.0000000 0.9415334 3 O -3.2735991 0.0000000 0.0000000 0.0000000 -1.8332121 0.0000000 0.0000000 0.0000000 -2.9048194 4 O -2.6476026 0.0000000 0.0000000 0.0000000 -2.6872451 0.0000000 0.0000000 0.0000000 -2.9456639 5 O -2.6476026 0.0000000 0.0000000 0.0000000 -2.6872451 0.0000000 0.0000000 0.0000000 -2.9456639 6 La 4.1196422 0.0000000 0.0000000 0.0000000 3.7162529 0.0000000 0.0000000 0.0000000 4.4812465 7 La 4.1196422 0.0000000 0.0000000 0.0000000 3.7162529 0.0000000 0.0000000 0.0000000 4.4812465 ---------------------------------------------------------------------------- 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: 378/378 Permutation basis: 4818/4818 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 650 Number of blocks in projector: 668 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 12 --- Eigsh_solver_block: 1 / 12 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 2 / 12 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 3 / 12 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 4 / 12 --- Block_size: 80 Use standard eigh solver. --- Eigsh_solver_block: 5 / 12 --- Block_size: 80 Use standard eigh solver. --- Eigsh_solver_block: 6 / 12 --- Block_size: 52 Use standard eigh solver. --- Eigsh_solver_block: 7 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 10 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 11 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 12 / 12 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (650, 635), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (52, 52), data: True |-- (80, 80), data: True |-- (80, 80), data: True |-- (144, 139), data: True |-- (144, 139), data: True |-- (144, 139), data: True ----- Solver_atoms: 1 -- 126 / 126 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 160 - Time: 0.633 Solver_block: 160 / 160 - Time: 0.466 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.205 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 378/378 Permutation basis: 4818/4818 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 650 Number of blocks in projector: 668 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 12 --- Eigsh_solver_block: 1 / 12 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 2 / 12 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 3 / 12 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 4 / 12 --- Block_size: 80 Use standard eigh solver. --- Eigsh_solver_block: 5 / 12 --- Block_size: 80 Use standard eigh solver. --- Eigsh_solver_block: 6 / 12 --- Block_size: 52 Use standard eigh solver. --- Eigsh_solver_block: 7 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 10 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 11 / 12 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 12 / 12 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (650, 635), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (52, 52), data: True |-- (80, 80), data: True |-- (80, 80), data: True |-- (144, 139), data: True |-- (144, 139), data: True |-- (144, 139), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:46:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:46:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -1.766113545000000 1.869377020000000 6.384070735000000 b 1.766113545000000 -1.869377020000000 6.384070735000000 c 1.766113545000000 1.869377020000000 -6.384070735000000 Atomic positions (fractional): 1 H 0.00000000000000 0.50000000000000 0.50000000000000 1.008 2 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 3 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 4 O 0.82389516218903 0.82389516218903 0.00000000000000 15.999 5 O 0.17610483781097 0.17610483781097 0.00000000000000 15.999 6 La 0.36359631143498 0.36359631143498 0.00000000000000 138.905 7 La 0.63640368856502 0.63640368856502 0.00000000000000 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.596681270000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.216262120000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.768141470000000 Atomic positions (fractional): 1 H 0.16666666666667 0.00000000000000 0.00000000000000 1.008 > 1 2 H 0.50000000000000 0.00000000000000 0.00000000000000 1.008 > 1 3 H 0.83333333333333 0.00000000000000 0.00000000000000 1.008 > 1 4 H 0.16666666666667 0.33333333333333 0.00000000000000 1.008 > 1 5 H 0.50000000000000 0.33333333333333 0.00000000000000 1.008 > 1 6 H 0.83333333333333 0.33333333333333 0.00000000000000 1.008 > 1 7 H 0.16666666666667 0.66666666666667 0.00000000000000 1.008 > 1 8 H 0.50000000000000 0.66666666666667 0.00000000000000 1.008 > 1 9 H 0.83333333333333 0.66666666666667 0.00000000000000 1.008 > 1 10 H 0.00000000000000 0.16666666666667 0.50000000000000 1.008 > 1 11 H 0.33333333333333 0.16666666666667 0.50000000000000 1.008 > 1 12 H 0.66666666666667 0.16666666666667 0.50000000000000 1.008 > 1 13 H 0.00000000000000 0.50000000000000 0.50000000000000 1.008 > 1 14 H 0.33333333333333 0.50000000000000 0.50000000000000 1.008 > 1 15 H 0.66666666666667 0.50000000000000 0.50000000000000 1.008 > 1 16 H 0.00000000000000 0.83333333333333 0.50000000000000 1.008 > 1 17 H 0.33333333333333 0.83333333333333 0.50000000000000 1.008 > 1 18 H 0.66666666666667 0.83333333333333 0.50000000000000 1.008 > 1 19 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 19 20 Li 0.33333333333333 0.00000000000000 0.00000000000000 6.941 > 19 21 Li 0.66666666666667 0.00000000000000 0.00000000000000 6.941 > 19 22 Li 0.00000000000000 0.33333333333333 0.00000000000000 6.941 > 19 23 Li 0.33333333333333 0.33333333333333 0.00000000000000 6.941 > 19 24 Li 0.66666666666667 0.33333333333333 0.00000000000000 6.941 > 19 25 Li 0.00000000000000 0.66666666666667 0.00000000000000 6.941 > 19 26 Li 0.33333333333333 0.66666666666667 0.00000000000000 6.941 > 19 27 Li 0.66666666666667 0.66666666666667 0.00000000000000 6.941 > 19 28 Li 0.16666666666667 0.16666666666667 0.50000000000000 6.941 > 19 29 Li 0.50000000000000 0.16666666666667 0.50000000000000 6.941 > 19 30 Li 0.83333333333333 0.16666666666667 0.50000000000000 6.941 > 19 31 Li 0.16666666666667 0.50000000000000 0.50000000000000 6.941 > 19 32 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 19 33 Li 0.83333333333333 0.50000000000000 0.50000000000000 6.941 > 19 34 Li 0.16666666666667 0.83333333333333 0.50000000000000 6.941 > 19 35 Li 0.50000000000000 0.83333333333333 0.50000000000000 6.941 > 19 36 Li 0.83333333333333 0.83333333333333 0.50000000000000 6.941 > 19 37 O 0.00000000000000 0.16666666666667 0.00000000000000 15.999 > 37 38 O 0.33333333333333 0.16666666666667 0.00000000000000 15.999 > 37 39 O 0.66666666666667 0.16666666666667 0.00000000000000 15.999 > 37 40 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 37 41 O 0.33333333333333 0.50000000000000 0.00000000000000 15.999 > 37 42 O 0.66666666666667 0.50000000000000 0.00000000000000 15.999 > 37 43 O 0.00000000000000 0.83333333333333 0.00000000000000 15.999 > 37 44 O 0.33333333333333 0.83333333333333 0.00000000000000 15.999 > 37 45 O 0.66666666666667 0.83333333333333 0.00000000000000 15.999 > 37 46 O 0.16666666666667 0.16666666666667 0.32389516218903 15.999 > 46 47 O 0.50000000000000 0.16666666666667 0.32389516218903 15.999 > 46 48 O 0.83333333333333 0.16666666666667 0.32389516218903 15.999 > 46 49 O 0.16666666666667 0.50000000000000 0.32389516218903 15.999 > 46 50 O 0.50000000000000 0.50000000000000 0.32389516218903 15.999 > 46 51 O 0.83333333333333 0.50000000000000 0.32389516218903 15.999 > 46 52 O 0.16666666666667 0.83333333333333 0.32389516218903 15.999 > 46 53 O 0.50000000000000 0.83333333333333 0.32389516218903 15.999 > 46 54 O 0.83333333333333 0.83333333333333 0.32389516218903 15.999 > 46 55 O 0.00000000000000 0.00000000000000 0.17610483781097 15.999 > 55 56 O 0.33333333333333 0.00000000000000 0.17610483781097 15.999 > 55 57 O 0.66666666666667 0.00000000000000 0.17610483781097 15.999 > 55 58 O 0.00000000000000 0.33333333333333 0.17610483781097 15.999 > 55 59 O 0.33333333333333 0.33333333333333 0.17610483781097 15.999 > 55 60 O 0.66666666666667 0.33333333333333 0.17610483781097 15.999 > 55 61 O 0.00000000000000 0.66666666666667 0.17610483781097 15.999 > 55 62 O 0.33333333333333 0.66666666666667 0.17610483781097 15.999 > 55 63 O 0.66666666666667 0.66666666666667 0.17610483781097 15.999 > 55 64 O 0.16666666666667 0.00000000000000 0.50000000000000 15.999 > 37 65 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 37 66 O 0.83333333333333 0.00000000000000 0.50000000000000 15.999 > 37 67 O 0.16666666666667 0.33333333333333 0.50000000000000 15.999 > 37 68 O 0.50000000000000 0.33333333333333 0.50000000000000 15.999 > 37 69 O 0.83333333333333 0.33333333333333 0.50000000000000 15.999 > 37 70 O 0.16666666666667 0.66666666666667 0.50000000000000 15.999 > 37 71 O 0.50000000000000 0.66666666666667 0.50000000000000 15.999 > 37 72 O 0.83333333333333 0.66666666666667 0.50000000000000 15.999 > 37 73 O 0.00000000000000 0.00000000000000 0.82389516218903 15.999 > 46 74 O 0.33333333333333 0.00000000000000 0.82389516218903 15.999 > 46 75 O 0.66666666666667 0.00000000000000 0.82389516218903 15.999 > 46 76 O 0.00000000000000 0.33333333333333 0.82389516218903 15.999 > 46 77 O 0.33333333333333 0.33333333333333 0.82389516218903 15.999 > 46 78 O 0.66666666666667 0.33333333333333 0.82389516218903 15.999 > 46 79 O 0.00000000000000 0.66666666666667 0.82389516218903 15.999 > 46 80 O 0.33333333333333 0.66666666666667 0.82389516218903 15.999 > 46 81 O 0.66666666666667 0.66666666666667 0.82389516218903 15.999 > 46 82 O 0.16666666666667 0.16666666666667 0.67610483781097 15.999 > 55 83 O 0.50000000000000 0.16666666666667 0.67610483781097 15.999 > 55 84 O 0.83333333333333 0.16666666666667 0.67610483781097 15.999 > 55 85 O 0.16666666666667 0.50000000000000 0.67610483781097 15.999 > 55 86 O 0.50000000000000 0.50000000000000 0.67610483781097 15.999 > 55 87 O 0.83333333333333 0.50000000000000 0.67610483781097 15.999 > 55 88 O 0.16666666666667 0.83333333333333 0.67610483781097 15.999 > 55 89 O 0.50000000000000 0.83333333333333 0.67610483781097 15.999 > 55 90 O 0.83333333333333 0.83333333333333 0.67610483781097 15.999 > 55 91 La 0.00000000000000 0.00000000000000 0.36359631143498 138.905 > 91 92 La 0.33333333333333 0.00000000000000 0.36359631143498 138.905 > 91 93 La 0.66666666666667 0.00000000000000 0.36359631143498 138.905 > 91 94 La 0.00000000000000 0.33333333333333 0.36359631143498 138.905 > 91 95 La 0.33333333333333 0.33333333333333 0.36359631143498 138.905 > 91 96 La 0.66666666666667 0.33333333333333 0.36359631143498 138.905 > 91 97 La 0.00000000000000 0.66666666666667 0.36359631143498 138.905 > 91 98 La 0.33333333333333 0.66666666666667 0.36359631143498 138.905 > 91 99 La 0.66666666666667 0.66666666666667 0.36359631143498 138.905 > 91 100 La 0.16666666666667 0.16666666666667 0.13640368856502 138.905 > 100 101 La 0.50000000000000 0.16666666666667 0.13640368856502 138.905 > 100 102 La 0.83333333333333 0.16666666666667 0.13640368856502 138.905 > 100 103 La 0.16666666666667 0.50000000000000 0.13640368856502 138.905 > 100 104 La 0.50000000000000 0.50000000000000 0.13640368856502 138.905 > 100 105 La 0.83333333333333 0.50000000000000 0.13640368856502 138.905 > 100 106 La 0.16666666666667 0.83333333333333 0.13640368856502 138.905 > 100 107 La 0.50000000000000 0.83333333333333 0.13640368856502 138.905 > 100 108 La 0.83333333333333 0.83333333333333 0.13640368856502 138.905 > 100 109 La 0.16666666666667 0.16666666666667 0.86359631143498 138.905 > 91 110 La 0.50000000000000 0.16666666666667 0.86359631143498 138.905 > 91 111 La 0.83333333333333 0.16666666666667 0.86359631143498 138.905 > 91 112 La 0.16666666666667 0.50000000000000 0.86359631143498 138.905 > 91 113 La 0.50000000000000 0.50000000000000 0.86359631143498 138.905 > 91 114 La 0.83333333333333 0.50000000000000 0.86359631143498 138.905 > 91 115 La 0.16666666666667 0.83333333333333 0.86359631143498 138.905 > 91 116 La 0.50000000000000 0.83333333333333 0.86359631143498 138.905 > 91 117 La 0.83333333333333 0.83333333333333 0.86359631143498 138.905 > 91 118 La 0.00000000000000 0.00000000000000 0.63640368856502 138.905 > 100 119 La 0.33333333333333 0.00000000000000 0.63640368856502 138.905 > 100 120 La 0.66666666666667 0.00000000000000 0.63640368856502 138.905 > 100 121 La 0.00000000000000 0.33333333333333 0.63640368856502 138.905 > 100 122 La 0.33333333333333 0.33333333333333 0.63640368856502 138.905 > 100 123 La 0.66666666666667 0.33333333333333 0.63640368856502 138.905 > 100 124 La 0.00000000000000 0.66666666666667 0.63640368856502 138.905 > 100 125 La 0.33333333333333 0.66666666666667 0.63640368856502 138.905 > 100 126 La 0.66666666666667 0.66666666666667 0.63640368856502 138.905 > 100 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4693495 0.0000000 0.0000000 0.0000000 5.1998759 0.0000000 0.0000000 0.0000000 5.8630603 -------------------------- Born effective charges -------------------------- 1 H -0.5713239 0.0000000 0.0000000 0.0000000 -1.0299967 0.0000000 0.0000000 0.0000000 -1.1078791 2 Li 0.9008439 0.0000000 0.0000000 0.0000000 0.8051931 0.0000000 0.0000000 0.0000000 0.9415334 3 O -3.2735991 0.0000000 0.0000000 0.0000000 -1.8332121 0.0000000 0.0000000 0.0000000 -2.9048194 4 O -2.6476026 0.0000000 0.0000000 0.0000000 -2.6872451 0.0000000 0.0000000 0.0000000 -2.9456639 5 O -2.6476026 0.0000000 0.0000000 0.0000000 -2.6872451 0.0000000 0.0000000 0.0000000 -2.9456639 6 La 4.1196422 0.0000000 0.0000000 0.0000000 3.7162529 0.0000000 0.0000000 0.0000000 4.4812465 7 La 4.1196422 0.0000000 0.0000000 0.0000000 3.7162529 0.0000000 0.0000000 0.0000000 4.4812465 ---------------------------------------------------------------------------- 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[ 19, 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[ 37, 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[ 46, 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[ 91, 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: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:46:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:46:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -1.766113545000000 1.869377020000000 6.384070735000000 b 1.766113545000000 -1.869377020000000 6.384070735000000 c 1.766113545000000 1.869377020000000 -6.384070735000000 Atomic positions (fractional): 1 H 0.00000000000000 0.50000000000000 0.50000000000000 1.008 2 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 3 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 4 O 0.82389516218903 0.82389516218903 0.00000000000000 15.999 5 O 0.17610483781097 0.17610483781097 0.00000000000000 15.999 6 La 0.36359631143498 0.36359631143498 0.00000000000000 138.905 7 La 0.63640368856502 0.63640368856502 0.00000000000000 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.596681270000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.216262120000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.768141470000000 Atomic positions (fractional): 1 H 0.16666666666667 0.00000000000000 0.00000000000000 1.008 > 1 2 H 0.50000000000000 0.00000000000000 0.00000000000000 1.008 > 1 3 H 0.83333333333333 0.00000000000000 0.00000000000000 1.008 > 1 4 H 0.16666666666667 0.33333333333333 0.00000000000000 1.008 > 1 5 H 0.50000000000000 0.33333333333333 0.00000000000000 1.008 > 1 6 H 0.83333333333333 0.33333333333333 0.00000000000000 1.008 > 1 7 H 0.16666666666667 0.66666666666667 0.00000000000000 1.008 > 1 8 H 0.50000000000000 0.66666666666667 0.00000000000000 1.008 > 1 9 H 0.83333333333333 0.66666666666667 0.00000000000000 1.008 > 1 10 H 0.00000000000000 0.16666666666667 0.50000000000000 1.008 > 1 11 H 0.33333333333333 0.16666666666667 0.50000000000000 1.008 > 1 12 H 0.66666666666667 0.16666666666667 0.50000000000000 1.008 > 1 13 H 0.00000000000000 0.50000000000000 0.50000000000000 1.008 > 1 14 H 0.33333333333333 0.50000000000000 0.50000000000000 1.008 > 1 15 H 0.66666666666667 0.50000000000000 0.50000000000000 1.008 > 1 16 H 0.00000000000000 0.83333333333333 0.50000000000000 1.008 > 1 17 H 0.33333333333333 0.83333333333333 0.50000000000000 1.008 > 1 18 H 0.66666666666667 0.83333333333333 0.50000000000000 1.008 > 1 19 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 19 20 Li 0.33333333333333 0.00000000000000 0.00000000000000 6.941 > 19 21 Li 0.66666666666667 0.00000000000000 0.00000000000000 6.941 > 19 22 Li 0.00000000000000 0.33333333333333 0.00000000000000 6.941 > 19 23 Li 0.33333333333333 0.33333333333333 0.00000000000000 6.941 > 19 24 Li 0.66666666666667 0.33333333333333 0.00000000000000 6.941 > 19 25 Li 0.00000000000000 0.66666666666667 0.00000000000000 6.941 > 19 26 Li 0.33333333333333 0.66666666666667 0.00000000000000 6.941 > 19 27 Li 0.66666666666667 0.66666666666667 0.00000000000000 6.941 > 19 28 Li 0.16666666666667 0.16666666666667 0.50000000000000 6.941 > 19 29 Li 0.50000000000000 0.16666666666667 0.50000000000000 6.941 > 19 30 Li 0.83333333333333 0.16666666666667 0.50000000000000 6.941 > 19 31 Li 0.16666666666667 0.50000000000000 0.50000000000000 6.941 > 19 32 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 19 33 Li 0.83333333333333 0.50000000000000 0.50000000000000 6.941 > 19 34 Li 0.16666666666667 0.83333333333333 0.50000000000000 6.941 > 19 35 Li 0.50000000000000 0.83333333333333 0.50000000000000 6.941 > 19 36 Li 0.83333333333333 0.83333333333333 0.50000000000000 6.941 > 19 37 O 0.00000000000000 0.16666666666667 0.00000000000000 15.999 > 37 38 O 0.33333333333333 0.16666666666667 0.00000000000000 15.999 > 37 39 O 0.66666666666667 0.16666666666667 0.00000000000000 15.999 > 37 40 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 37 41 O 0.33333333333333 0.50000000000000 0.00000000000000 15.999 > 37 42 O 0.66666666666667 0.50000000000000 0.00000000000000 15.999 > 37 43 O 0.00000000000000 0.83333333333333 0.00000000000000 15.999 > 37 44 O 0.33333333333333 0.83333333333333 0.00000000000000 15.999 > 37 45 O 0.66666666666667 0.83333333333333 0.00000000000000 15.999 > 37 46 O 0.16666666666667 0.16666666666667 0.32389516218903 15.999 > 46 47 O 0.50000000000000 0.16666666666667 0.32389516218903 15.999 > 46 48 O 0.83333333333333 0.16666666666667 0.32389516218903 15.999 > 46 49 O 0.16666666666667 0.50000000000000 0.32389516218903 15.999 > 46 50 O 0.50000000000000 0.50000000000000 0.32389516218903 15.999 > 46 51 O 0.83333333333333 0.50000000000000 0.32389516218903 15.999 > 46 52 O 0.16666666666667 0.83333333333333 0.32389516218903 15.999 > 46 53 O 0.50000000000000 0.83333333333333 0.32389516218903 15.999 > 46 54 O 0.83333333333333 0.83333333333333 0.32389516218903 15.999 > 46 55 O 0.00000000000000 0.00000000000000 0.17610483781097 15.999 > 55 56 O 0.33333333333333 0.00000000000000 0.17610483781097 15.999 > 55 57 O 0.66666666666667 0.00000000000000 0.17610483781097 15.999 > 55 58 O 0.00000000000000 0.33333333333333 0.17610483781097 15.999 > 55 59 O 0.33333333333333 0.33333333333333 0.17610483781097 15.999 > 55 60 O 0.66666666666667 0.33333333333333 0.17610483781097 15.999 > 55 61 O 0.00000000000000 0.66666666666667 0.17610483781097 15.999 > 55 62 O 0.33333333333333 0.66666666666667 0.17610483781097 15.999 > 55 63 O 0.66666666666667 0.66666666666667 0.17610483781097 15.999 > 55 64 O 0.16666666666667 0.00000000000000 0.50000000000000 15.999 > 37 65 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 37 66 O 0.83333333333333 0.00000000000000 0.50000000000000 15.999 > 37 67 O 0.16666666666667 0.33333333333333 0.50000000000000 15.999 > 37 68 O 0.50000000000000 0.33333333333333 0.50000000000000 15.999 > 37 69 O 0.83333333333333 0.33333333333333 0.50000000000000 15.999 > 37 70 O 0.16666666666667 0.66666666666667 0.50000000000000 15.999 > 37 71 O 0.50000000000000 0.66666666666667 0.50000000000000 15.999 > 37 72 O 0.83333333333333 0.66666666666667 0.50000000000000 15.999 > 37 73 O 0.00000000000000 0.00000000000000 0.82389516218903 15.999 > 46 74 O 0.33333333333333 0.00000000000000 0.82389516218903 15.999 > 46 75 O 0.66666666666667 0.00000000000000 0.82389516218903 15.999 > 46 76 O 0.00000000000000 0.33333333333333 0.82389516218903 15.999 > 46 77 O 0.33333333333333 0.33333333333333 0.82389516218903 15.999 > 46 78 O 0.66666666666667 0.33333333333333 0.82389516218903 15.999 > 46 79 O 0.00000000000000 0.66666666666667 0.82389516218903 15.999 > 46 80 O 0.33333333333333 0.66666666666667 0.82389516218903 15.999 > 46 81 O 0.66666666666667 0.66666666666667 0.82389516218903 15.999 > 46 82 O 0.16666666666667 0.16666666666667 0.67610483781097 15.999 > 55 83 O 0.50000000000000 0.16666666666667 0.67610483781097 15.999 > 55 84 O 0.83333333333333 0.16666666666667 0.67610483781097 15.999 > 55 85 O 0.16666666666667 0.50000000000000 0.67610483781097 15.999 > 55 86 O 0.50000000000000 0.50000000000000 0.67610483781097 15.999 > 55 87 O 0.83333333333333 0.50000000000000 0.67610483781097 15.999 > 55 88 O 0.16666666666667 0.83333333333333 0.67610483781097 15.999 > 55 89 O 0.50000000000000 0.83333333333333 0.67610483781097 15.999 > 55 90 O 0.83333333333333 0.83333333333333 0.67610483781097 15.999 > 55 91 La 0.00000000000000 0.00000000000000 0.36359631143498 138.905 > 91 92 La 0.33333333333333 0.00000000000000 0.36359631143498 138.905 > 91 93 La 0.66666666666667 0.00000000000000 0.36359631143498 138.905 > 91 94 La 0.00000000000000 0.33333333333333 0.36359631143498 138.905 > 91 95 La 0.33333333333333 0.33333333333333 0.36359631143498 138.905 > 91 96 La 0.66666666666667 0.33333333333333 0.36359631143498 138.905 > 91 97 La 0.00000000000000 0.66666666666667 0.36359631143498 138.905 > 91 98 La 0.33333333333333 0.66666666666667 0.36359631143498 138.905 > 91 99 La 0.66666666666667 0.66666666666667 0.36359631143498 138.905 > 91 100 La 0.16666666666667 0.16666666666667 0.13640368856502 138.905 > 100 101 La 0.50000000000000 0.16666666666667 0.13640368856502 138.905 > 100 102 La 0.83333333333333 0.16666666666667 0.13640368856502 138.905 > 100 103 La 0.16666666666667 0.50000000000000 0.13640368856502 138.905 > 100 104 La 0.50000000000000 0.50000000000000 0.13640368856502 138.905 > 100 105 La 0.83333333333333 0.50000000000000 0.13640368856502 138.905 > 100 106 La 0.16666666666667 0.83333333333333 0.13640368856502 138.905 > 100 107 La 0.50000000000000 0.83333333333333 0.13640368856502 138.905 > 100 108 La 0.83333333333333 0.83333333333333 0.13640368856502 138.905 > 100 109 La 0.16666666666667 0.16666666666667 0.86359631143498 138.905 > 91 110 La 0.50000000000000 0.16666666666667 0.86359631143498 138.905 > 91 111 La 0.83333333333333 0.16666666666667 0.86359631143498 138.905 > 91 112 La 0.16666666666667 0.50000000000000 0.86359631143498 138.905 > 91 113 La 0.50000000000000 0.50000000000000 0.86359631143498 138.905 > 91 114 La 0.83333333333333 0.50000000000000 0.86359631143498 138.905 > 91 115 La 0.16666666666667 0.83333333333333 0.86359631143498 138.905 > 91 116 La 0.50000000000000 0.83333333333333 0.86359631143498 138.905 > 91 117 La 0.83333333333333 0.83333333333333 0.86359631143498 138.905 > 91 118 La 0.00000000000000 0.00000000000000 0.63640368856502 138.905 > 100 119 La 0.33333333333333 0.00000000000000 0.63640368856502 138.905 > 100 120 La 0.66666666666667 0.00000000000000 0.63640368856502 138.905 > 100 121 La 0.00000000000000 0.33333333333333 0.63640368856502 138.905 > 100 122 La 0.33333333333333 0.33333333333333 0.63640368856502 138.905 > 100 123 La 0.66666666666667 0.33333333333333 0.63640368856502 138.905 > 100 124 La 0.00000000000000 0.66666666666667 0.63640368856502 138.905 > 100 125 La 0.33333333333333 0.66666666666667 0.63640368856502 138.905 > 100 126 La 0.66666666666667 0.66666666666667 0.63640368856502 138.905 > 100 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.4693495 0.0000000 0.0000000 0.0000000 5.1998759 0.0000000 0.0000000 0.0000000 5.8630603 -------------------------- Born effective charges -------------------------- 1 H -0.5713239 0.0000000 0.0000000 0.0000000 -1.0299967 0.0000000 0.0000000 0.0000000 -1.1078791 2 Li 0.9008439 0.0000000 0.0000000 0.0000000 0.8051931 0.0000000 0.0000000 0.0000000 0.9415334 3 O -3.2735991 0.0000000 0.0000000 0.0000000 -1.8332121 0.0000000 0.0000000 0.0000000 -2.9048194 4 O -2.6476026 0.0000000 0.0000000 0.0000000 -2.6872451 0.0000000 0.0000000 0.0000000 -2.9456639 5 O -2.6476026 0.0000000 0.0000000 0.0000000 -2.6872451 0.0000000 0.0000000 0.0000000 -2.9456639 6 La 4.1196422 0.0000000 0.0000000 0.0000000 3.7162529 0.0000000 0.0000000 0.0000000 4.4812465 7 La 4.1196422 0.0000000 0.0000000 0.0000000 3.7162529 0.0000000 0.0000000 0.0000000 4.4812465 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 2 728 ] Grid generation matrix: [ 0 14 14 ] [ 13 0 13 ] [ 4 4 0 ] 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: 0.95, Number of G-points: 313, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/266) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 266 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 2.977 ( 0.000 0.000 0.000) 0.000 3.063 ( 0.000 0.000 0.000) 0.000 4.785 ( 0.000 0.000 0.000) 0.000 5.651 ( 0.000 0.000 0.000) 0.000 5.932 ( 0.000 0.000 0.000) 0.000 6.767 ( 0.000 0.000 0.000) 0.000 6.809 ( 0.000 0.000 0.000) 0.000 7.924 ( 0.000 0.000 0.000) 0.000 8.138 ( 0.000 0.000 0.000) 0.000 8.940 ( 0.000 0.000 0.000) 0.000 9.985 ( 0.000 0.000 0.000) 0.000 11.622 ( 0.000 0.000 0.000) 0.000 12.747 ( 0.000 0.000 0.000) 0.000 13.925 ( 0.000 0.000 0.000) 0.000 20.754 ( 0.000 0.000 0.000) 0.000 24.293 ( 0.000 0.000 0.000) 0.000 28.331 ( 0.000 0.000 0.000) 0.000 41.004 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/266) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 0.000 0.000 0.000) 0.000 2.671 ( 0.000 0.000 -0.000) 0.000 3.586 ( 0.000 -0.000 -0.000) 0.000 3.614 ( -0.000 0.000 0.000) 0.000 4.973 ( 0.000 0.000 0.000) 0.000 5.871 ( 0.000 0.000 0.000) 0.000 6.876 ( 0.000 0.000 0.000) 0.000 7.335 ( 0.000 0.000 0.000) 0.000 8.131 ( 0.000 0.000 0.000) 0.000 8.381 ( 0.000 -0.000 -0.000) 0.000 8.504 ( 0.000 0.000 0.000) 0.000 8.969 ( 0.000 0.000 0.000) 0.000 11.180 ( 0.000 -0.000 -0.000) 0.000 11.401 ( 0.000 0.000 0.000) 0.000 11.786 ( 0.000 0.000 0.000) 0.000 13.616 ( 0.000 0.000 0.000) 0.000 17.490 ( 0.000 0.000 0.000) 0.000 20.836 ( 0.000 0.000 0.000) 0.000 23.248 ( 0.000 0.000 0.000) 0.000 28.580 ( 0.000 0.000 0.000) 0.000 41.327 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 3 (3/266) ======================= q-point: (-0.46 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.041 ( 4.118 0.065 -9.747) 10.582 3.468 ( 19.052 0.557 1.884) 19.153 3.606 ( 22.234 -1.640 1.871) 22.373 3.724 ( 4.037 -7.453 16.583) 18.623 4.605 ( -10.715 -3.836 -16.531) 20.070 5.304 ( -9.825 4.604 6.203) 12.498 5.632 ( -5.597 8.543 3.192) 10.700 6.608 ( -13.322 -14.330 -5.442) 20.309 6.928 ( -4.165 3.465 2.235) 5.861 7.997 ( 10.261 -4.447 7.736) 13.599 8.923 ( -22.540 2.803 -2.838) 22.891 9.658 ( -3.664 8.717 -20.929) 22.966 10.431 ( 1.353 -13.214 20.108) 24.100 12.029 ( -9.664 1.015 -8.101) 12.651 13.173 ( -33.523 -2.342 2.500) 33.698 14.815 ( 30.678 1.012 0.172) 30.695 15.194 ( -11.834 -16.121 -0.824) 20.015 19.161 ( 0.797 11.524 -0.071) 11.551 21.864 ( 0.015 6.588 -0.093) 6.588 29.857 ( -11.850 -0.035 0.704) 11.871 41.113 ( -2.503 0.544 0.072) 2.562 ======================= Grid point 4 (4/266) ======================= q-point: (-0.46 -0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( -7.958 -4.219 7.249) 11.562 3.712 ( 2.288 0.459 -17.610) 17.764 3.830 ( -15.682 -1.025 0.039) 15.715 4.142 ( -18.523 -2.393 -0.156) 18.677 4.420 ( 12.554 3.611 12.411) 18.019 5.076 ( 6.282 -0.085 -2.545) 6.779 5.231 ( 3.674 -17.187 7.660) 19.172 6.651 ( 13.449 15.046 -8.874) 22.046 6.775 ( 5.789 0.616 0.183) 5.825 8.216 ( -7.535 -0.680 -6.685) 10.096 8.477 ( 13.354 -1.069 3.075) 13.745 9.396 ( 6.746 -6.555 21.419) 23.394 10.693 ( 2.555 12.752 -27.750) 30.647 11.854 ( 9.685 5.429 15.681) 19.214 12.425 ( 35.792 -4.175 -5.164) 36.403 14.903 ( 12.268 -13.235 -0.105) 18.047 15.500 ( -30.200 1.750 -0.055) 30.251 19.183 ( -1.070 9.894 -0.042) 9.952 21.868 ( -0.020 5.716 -0.065) 5.717 29.595 ( 10.843 -2.686 0.490) 11.181 41.051 ( 3.125 0.562 0.060) 3.176 ======================= Grid point 5 (5/266) ======================= q-point: ( 0.07 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 730 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 3.988 7.777 -0.375) 8.748 2.783 ( -1.717 7.475 1.930) 7.909 3.451 ( 12.098 1.160 -5.716) 13.430 3.625 ( 2.009 2.898 5.269) 6.340 5.039 ( -6.952 -1.534 -5.332) 8.895 5.712 ( 11.950 -3.439 3.304) 12.867 6.782 ( 7.908 -0.746 -1.449) 8.075 7.138 ( 8.097 -12.592 5.846) 16.072 7.775 ( 1.948 -21.652 0.852) 21.756 8.336 ( 14.559 6.554 -3.893) 16.434 8.712 ( -3.511 11.609 4.049) 12.786 8.982 ( 2.126 2.210 1.185) 3.288 11.118 ( -3.555 -5.540 0.772) 6.627 11.588 ( 3.008 15.818 -10.769) 19.371 11.726 ( -1.927 -5.082 6.275) 8.301 13.500 ( 0.307 -10.405 0.794) 10.439 17.295 ( 9.078 -9.726 -0.894) 13.334 20.770 ( -0.066 -5.995 -0.015) 5.996 23.228 ( -7.105 -9.050 3.750) 12.102 28.636 ( 0.710 6.331 -0.208) 6.374 41.307 ( -0.326 -2.183 -0.321) 2.230 ======================= Grid point 6 (6/266) ======================= q-point: ( 0.07 -0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -18.529 28.482 0.000) 33.979 1.049 ( -24.963 26.125 0.000) 36.134 1.641 ( -39.389 35.929 0.000) 53.314 2.994 ( -1.014 -2.456 -0.000) 2.657 3.109 ( -4.843 2.859 -0.000) 5.624 5.241 ( -21.016 -13.916 -0.000) 25.206 5.986 ( 0.812 6.740 0.000) 6.788 6.626 ( 8.450 -4.354 0.000) 9.506 6.948 ( -8.777 2.977 -0.000) 9.268 7.573 ( -4.225 -21.612 -0.000) 22.021 8.212 ( 27.776 42.279 0.000) 50.587 8.580 ( -2.723 24.026 0.000) 24.179 10.137 ( -9.152 6.431 0.000) 11.186 11.597 ( 4.418 5.632 0.000) 7.158 12.087 ( -16.970 -5.532 -0.000) 17.849 12.802 ( 0.791 5.541 0.000) 5.597 15.193 ( -68.516 -65.827 -0.000) 95.014 21.216 ( 18.427 9.823 0.000) 20.882 24.105 ( 6.319 -11.398 -0.000) 13.032 29.333 ( 45.088 47.801 0.000) 65.710 41.226 ( -9.733 -8.582 -0.000) 12.976 ======================= Grid point 7 (7/266) ======================= q-point: (-0.39 -0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( -11.152 -6.059 4.437) 13.445 3.629 ( 1.999 -3.375 -11.886) 12.517 3.909 ( 2.533 -8.617 3.614) 9.682 4.144 ( -3.408 -3.831 -4.990) 7.155 4.510 ( -2.853 6.265 11.150) 13.104 5.032 ( -7.702 -1.198 7.940) 11.126 5.110 ( -3.038 5.871 -3.037) 7.275 6.642 ( 0.288 0.474 -2.623) 2.681 6.744 ( 17.570 16.446 -9.912) 26.027 8.350 ( -7.650 4.371 0.894) 8.856 8.431 ( -3.054 3.067 -2.087) 4.805 9.140 ( 8.442 -2.240 19.563) 21.425 10.847 ( 7.970 12.842 -28.478) 32.240 11.556 ( 33.079 -1.904 2.295) 33.213 11.999 ( 0.276 9.229 10.600) 14.057 14.229 ( 8.412 -28.709 -0.986) 29.932 16.123 ( -23.763 4.457 0.010) 24.177 19.506 ( 0.736 19.154 -0.033) 19.168 22.048 ( 2.108 12.878 -0.393) 13.055 29.332 ( 7.367 -4.511 0.859) 8.681 41.024 ( 2.493 2.553 0.138) 3.572 ======================= Grid point 8 (8/266) ======================= q-point: (-0.39 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( 14.188 -4.483 -5.284) 15.790 2.968 ( 17.342 -4.576 -3.298) 18.237 3.165 ( 13.662 -1.245 -1.719) 13.826 3.481 ( 3.280 -11.580 17.574) 21.300 4.639 ( -6.487 -11.470 -13.841) 19.111 5.611 ( -6.836 8.331 10.410) 14.983 5.834 ( -12.026 -3.975 9.188) 15.647 6.553 ( -4.820 -10.126 -15.489) 19.123 6.998 ( -1.932 -4.706 8.210) 9.658 7.636 ( 12.598 -6.877 6.940) 15.943 9.380 ( -22.305 -4.612 -3.020) 22.976 9.914 ( -1.462 11.232 -19.128) 22.230 10.117 ( 2.288 -13.375 12.795) 18.650 12.186 ( -2.550 0.978 -5.629) 6.257 13.598 ( -22.079 -12.320 0.259) 25.285 14.269 ( 25.639 2.066 0.374) 25.725 14.786 ( -5.845 -38.776 -2.705) 39.307 19.604 ( -2.235 27.431 -0.128) 27.522 22.167 ( -2.161 20.634 -1.155) 20.779 30.056 ( -10.860 -3.106 3.013) 11.690 41.156 ( -0.648 0.159 0.192) 0.695 ======================= Grid point 9 (9/266) ======================= q-point: ( 0.15 -0.15 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -16.629 24.199 0.000) 29.362 2.069 ( -22.641 25.603 0.000) 34.178 2.959 ( -0.070 0.031 -0.000) 0.076 2.986 ( -30.880 24.308 0.000) 39.299 3.338 ( -10.404 2.898 -0.000) 10.800 5.376 ( -8.538 -3.427 -0.000) 9.200 6.182 ( -1.801 10.420 0.000) 10.574 6.296 ( 11.814 -6.808 0.000) 13.635 7.079 ( -3.629 -8.449 -0.000) 9.195 7.447 ( -16.174 -5.352 -0.000) 17.036 8.522 ( 9.969 22.665 0.000) 24.761 9.128 ( -3.293 22.337 0.000) 22.579 10.363 ( -5.541 -4.023 -0.000) 6.848 11.860 ( 1.133 27.960 0.000) 27.983 12.324 ( -14.123 -3.699 -0.000) 14.599 12.901 ( 4.339 7.887 0.000) 9.002 15.247 ( -36.479 -31.592 -0.000) 48.258 20.956 ( 9.578 -7.644 -0.000) 12.254 23.613 ( 9.559 -19.441 -0.000) 21.664 29.420 ( 20.731 24.762 0.000) 32.294 41.243 ( -4.013 -3.674 -0.000) 5.440 ======================= Grid point 10 (10/266) ======================= q-point: ( 0.15 0.35 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( 8.050 10.979 -4.560) 14.357 2.989 ( 0.614 10.037 5.983) 11.701 3.257 ( 12.108 7.789 2.133) 14.554 3.681 ( 2.598 7.140 -0.041) 7.598 5.113 ( -0.537 -4.323 -12.901) 13.617 5.304 ( 14.307 -4.186 9.587) 17.724 6.383 ( 19.050 -24.675 -3.414) 31.360 6.629 ( 9.563 -2.212 5.147) 11.083 7.349 ( 0.932 -15.028 2.736) 15.303 8.212 ( 15.650 10.531 -3.819) 19.245 8.754 ( 5.527 -4.222 -1.984) 7.232 9.111 ( -0.355 10.783 2.925) 11.179 11.111 ( -2.674 -5.013 22.521) 23.226 11.623 ( -10.147 -4.904 -24.670) 27.123 12.029 ( 2.085 25.355 3.597) 25.693 13.228 ( -1.136 -14.770 3.447) 15.209 16.749 ( 18.660 -15.186 -1.074) 24.082 20.615 ( -2.039 -10.860 -0.140) 11.050 23.151 ( -11.828 -17.466 6.132) 21.967 28.826 ( -1.682 11.467 -1.352) 11.668 41.256 ( -0.574 -3.424 -0.674) 3.537 ======================= Grid point 11 (11/266) ======================= q-point: (-0.31 0.06 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 21.650 -10.927 -3.625) 24.521 2.785 ( 2.339 -19.055 -9.493) 21.417 2.843 ( 4.275 -0.754 6.126) 7.508 3.189 ( 6.122 -5.319 11.789) 14.309 4.345 ( -1.520 -25.400 -14.281) 29.179 5.919 ( -3.980 10.405 14.412) 18.216 5.960 ( -15.942 -13.851 4.702) 21.636 6.397 ( 3.433 -4.050 -15.202) 16.103 6.778 ( 4.275 -12.518 20.123) 24.081 7.279 ( 8.333 -6.201 5.678) 11.838 9.551 ( -13.286 -15.820 5.981) 21.507 9.774 ( 0.575 -14.919 7.069) 16.519 10.212 ( -0.444 14.219 -25.995) 29.633 12.187 ( 1.238 -0.954 -8.262) 8.409 13.512 ( -7.527 -28.148 3.360) 29.330 13.823 ( 2.041 -20.020 -4.627) 20.649 14.055 ( 14.221 -14.507 -5.375) 21.014 20.256 ( -3.010 28.360 0.572) 28.525 22.761 ( -3.179 30.350 -5.391) 30.988 30.167 ( -8.377 -5.088 7.292) 12.216 41.138 ( 1.165 -1.185 0.225) 1.677 ======================= Grid point 12 (12/266) ======================= q-point: (-0.31 -0.44 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.255 ( -7.452 -9.184 1.396) 11.909 3.504 ( 0.549 -7.005 -3.864) 8.019 3.623 ( 4.343 -8.523 3.373) 10.143 4.128 ( -3.315 -5.006 -10.209) 11.844 4.660 ( -0.759 4.121 11.575) 12.310 5.360 ( -2.878 10.624 -3.482) 11.545 5.565 ( -20.746 22.375 6.761) 31.253 6.700 ( 2.189 5.029 -3.138) 6.319 6.730 ( 11.842 13.907 -9.083) 20.400 8.525 ( -3.250 3.079 0.197) 4.481 8.773 ( -10.696 4.189 -2.434) 11.742 9.055 ( -0.497 8.345 16.277) 18.299 10.672 ( 28.173 1.341 5.156) 28.673 11.211 ( 3.645 12.682 -26.865) 29.930 12.289 ( -2.754 13.635 13.161) 19.150 13.461 ( 4.579 -31.936 -1.953) 32.321 16.614 ( -12.594 7.106 0.043) 14.460 19.894 ( 1.163 19.915 -0.003) 19.949 22.291 ( 3.414 16.032 -0.607) 16.403 29.122 ( 2.723 -5.927 0.579) 6.548 41.058 ( 1.146 4.269 0.112) 4.422 ======================= Grid point 13 (13/266) ======================= q-point: ( 0.22 0.28 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 730 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( 13.952 11.920 -13.962) 23.058 3.104 ( 2.980 6.457 15.740) 17.272 3.394 ( 5.723 18.016 4.259) 19.377 3.757 ( 5.878 6.240 -0.242) 8.576 4.696 ( 20.227 -1.399 5.023) 20.888 5.225 ( -2.345 -5.121 -6.811) 8.839 5.497 ( 9.813 -21.066 -9.067) 24.945 6.500 ( 6.808 4.698 -2.121) 8.540 7.101 ( 1.953 -6.927 10.100) 12.402 8.074 ( 16.325 5.523 -1.103) 17.269 8.581 ( 0.759 -0.781 -4.775) 4.898 9.322 ( -0.820 8.980 -8.780) 12.586 10.941 ( -1.180 -12.673 29.488) 32.118 12.011 ( -22.340 6.919 -9.950) 25.416 12.452 ( 5.255 15.703 -7.204) 18.058 13.126 ( -6.380 6.539 9.199) 12.965 15.967 ( 26.881 -14.691 -0.497) 30.638 20.400 ( -4.424 -16.853 -0.300) 17.427 22.966 ( -11.945 -24.388 6.277) 27.872 29.171 ( -6.863 13.128 -3.413) 15.202 41.197 ( -0.538 -3.228 -0.836) 3.378 ======================= Grid point 14 (14/266) ======================= q-point: ( 0.22 -0.22 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( -9.281 12.864 0.000) 15.863 2.970 ( -14.656 23.575 0.000) 27.760 3.094 ( -6.029 9.379 0.000) 11.150 3.611 ( -11.264 1.891 -0.000) 11.421 3.867 ( -23.301 8.754 -0.000) 24.891 5.414 ( -0.450 -1.929 -0.000) 1.981 5.907 ( 11.531 -6.868 0.000) 13.421 6.407 ( -3.486 3.114 0.000) 4.674 6.964 ( -3.061 -4.960 -0.000) 5.829 7.776 ( -17.899 -0.537 -0.000) 17.907 8.687 ( 8.444 10.849 0.000) 13.748 9.599 ( -0.272 19.572 0.000) 19.573 10.202 ( 0.687 -13.613 -0.000) 13.630 12.322 ( -5.883 -7.548 -0.000) 9.570 12.694 ( 1.549 40.463 0.000) 40.492 12.900 ( 10.275 5.292 0.000) 11.558 15.400 ( -30.122 -18.219 -0.000) 35.203 20.525 ( 6.558 -17.864 -0.000) 19.030 22.983 ( 8.839 -22.126 -0.000) 23.826 29.488 ( 13.610 15.041 0.000) 20.285 41.224 ( -0.660 -2.983 -0.000) 3.056 ======================= Grid point 15 (15/266) ======================= q-point: (-0.24 0.49 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( 0.990 -11.107 0.491) 11.162 3.256 ( 2.475 -12.809 -0.115) 13.047 3.477 ( -1.731 -5.566 6.771) 8.935 4.088 ( -0.022 -3.234 -16.818) 17.126 4.752 ( -3.960 2.212 11.192) 12.077 5.596 ( 3.232 11.234 -2.628) 11.982 6.446 ( -10.703 19.159 5.706) 22.676 6.742 ( 15.527 20.633 -3.652) 26.080 6.879 ( -4.875 8.337 -6.891) 11.864 8.653 ( -3.547 2.754 1.154) 4.636 8.817 ( 2.540 -0.777 4.229) 4.994 9.354 ( -3.633 -0.953 -9.913) 10.600 10.260 ( 11.609 6.851 29.980) 32.871 11.579 ( -4.936 17.209 -30.774) 35.602 12.570 ( -4.437 -5.463 11.407) 13.404 12.827 ( 5.179 -7.472 -0.644) 9.114 16.920 ( -0.103 10.270 0.040) 10.271 20.267 ( -0.015 17.254 -0.002) 17.254 22.576 ( 1.499 16.714 -0.018) 16.781 28.966 ( -0.700 -7.695 0.003) 7.727 41.145 ( -0.186 4.799 -0.005) 4.802 ======================= Grid point 16 (16/266) ======================= q-point: (-0.24 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -0.000 -16.650 -7.658) 18.327 2.208 ( -0.000 -30.297 -1.574) 30.338 2.853 ( -0.000 2.598 2.688) 3.738 3.018 ( -0.000 -5.801 4.968) 7.638 3.695 ( -0.000 -36.140 -19.700) 41.160 5.728 ( -0.000 -23.512 -3.062) 23.711 6.065 ( -0.000 -5.735 23.699) 24.383 6.384 ( 0.000 4.048 -2.305) 4.658 6.589 ( -0.000 7.618 18.206) 19.736 7.041 ( -0.000 -8.149 7.207) 10.879 9.241 ( -0.000 -23.453 19.650) 30.597 9.506 ( -0.000 -13.876 -3.064) 14.211 10.464 ( 0.000 7.985 -28.309) 29.414 12.101 ( 0.000 -7.931 -7.623) 11.001 12.827 ( -0.000 -34.672 -8.887) 35.793 13.434 ( -0.000 -15.773 -12.786) 20.305 13.791 ( 0.000 3.859 -0.025) 3.859 20.815 ( 0.000 21.465 3.142) 21.693 23.472 ( 0.000 33.838 -14.483) 36.807 30.156 ( -0.000 -6.350 14.603) 15.924 41.082 ( -0.000 -2.109 0.116) 2.112 ======================= Grid point 17 (17/266) ======================= q-point: ( 0.30 -0.30 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( -5.827 6.302 0.000) 8.583 3.497 ( -6.193 12.740 0.000) 14.165 3.544 ( 0.494 16.810 0.000) 16.817 3.873 ( -11.841 1.300 -0.000) 11.912 4.370 ( -22.766 -2.964 -0.000) 22.958 5.279 ( 9.519 -3.599 0.000) 10.177 5.642 ( 4.161 -0.387 0.000) 4.179 6.352 ( -0.951 -12.891 -0.000) 12.926 7.009 ( -0.922 2.278 0.000) 2.457 8.080 ( -14.123 -1.881 -0.000) 14.248 8.623 ( 9.056 0.535 0.000) 9.072 9.850 ( 4.129 -15.130 -0.000) 15.683 9.949 ( 4.134 18.732 0.000) 19.183 12.030 ( 7.700 -15.609 -0.000) 17.405 12.682 ( 14.880 -1.585 0.000) 14.964 13.526 ( 4.948 42.650 0.000) 42.936 15.720 ( -29.108 -9.683 -0.000) 30.676 19.992 ( 3.755 -22.517 -0.000) 22.828 22.406 ( 5.325 -18.814 -0.000) 19.553 29.476 ( 11.051 8.001 0.000) 13.643 41.146 ( 1.800 -3.253 -0.000) 3.718 ======================= Grid point 18 (18/266) ======================= q-point: ( 0.30 0.20 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( 11.015 14.829 -18.536) 26.169 3.185 ( 3.477 6.589 18.074) 19.549 3.447 ( 19.203 8.558 4.397) 21.479 3.634 ( 14.260 1.235 0.373) 14.318 4.562 ( 0.236 9.573 11.879) 15.258 5.117 ( -5.750 3.560 -15.613) 17.015 5.359 ( -8.170 -5.397 -13.461) 16.645 6.542 ( 2.320 8.059 -3.663) 9.152 6.978 ( 1.962 -0.851 14.544) 14.701 7.802 ( 16.807 2.927 0.459) 17.066 8.786 ( -13.487 6.926 -8.207) 17.240 9.540 ( -1.652 9.899 -14.529) 17.658 10.701 ( -1.929 -13.681 29.669) 32.728 12.335 ( -1.664 -5.033 2.489) 5.856 12.822 ( -23.949 13.566 -4.281) 27.855 13.780 ( -5.825 37.145 4.691) 37.891 15.116 ( 29.838 -10.524 0.480) 31.644 20.075 ( -4.543 -23.946 -0.167) 24.373 22.627 ( -7.691 -27.371 4.274) 28.751 29.602 ( -10.606 10.355 -4.885) 15.607 41.155 ( -0.478 -1.680 -0.615) 1.851 ======================= Grid point 19 (19/266) ======================= q-point: (-0.17 -0.08 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -18.464 -22.423 -4.600) 29.409 1.682 ( -16.167 -25.388 -9.747) 31.638 2.715 ( -6.159 -24.147 -14.800) 28.984 2.981 ( -8.313 -6.916 -3.627) 11.406 3.183 ( -4.446 -9.562 -3.191) 11.018 5.266 ( -0.680 -11.875 -0.318) 11.898 5.848 ( -1.896 -11.412 24.432) 27.033 6.464 ( 4.377 5.906 5.662) 9.279 6.831 ( -2.135 2.878 11.671) 12.209 7.095 ( -13.521 6.324 6.823) 16.412 8.666 ( 4.349 -26.559 16.618) 31.630 9.156 ( 5.316 -14.298 -6.480) 16.574 10.498 ( -2.997 -6.685 -19.661) 20.981 11.850 ( -1.789 -15.097 2.331) 15.381 12.297 ( 2.799 -12.969 -14.358) 19.549 13.179 ( 8.568 -0.084 -19.829) 21.601 14.468 ( -41.569 23.646 -6.333) 48.242 21.069 ( 6.532 7.852 6.943) 12.350 24.077 ( 9.835 32.359 -26.731) 43.109 29.725 ( 20.231 -20.202 18.449) 34.026 41.114 ( -5.732 0.728 1.359) 5.936 ======================= Grid point 20 (20/266) ======================= q-point: (-0.17 0.42 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( 2.273 -10.584 -0.699) 10.848 2.925 ( 2.917 -12.012 3.061) 12.735 3.352 ( 4.733 -5.360 7.029) 10.027 3.953 ( 6.321 -3.381 -15.640) 17.204 4.957 ( -10.993 2.502 7.227) 13.392 5.630 ( 13.862 7.905 -3.991) 16.450 6.646 ( 6.274 6.097 4.823) 9.990 6.799 ( 14.291 13.847 0.172) 19.899 7.348 ( -0.998 20.699 -3.083) 20.951 8.618 ( 10.733 -4.652 -4.295) 12.461 8.809 ( -4.467 1.280 -1.440) 4.865 9.099 ( 7.450 -11.096 -3.409) 13.792 10.469 ( -6.233 10.844 30.369) 32.844 11.866 ( -3.675 -11.255 -8.550) 14.604 12.206 ( 0.002 -5.217 -20.457) 21.112 13.085 ( 0.206 18.228 10.885) 21.231 17.056 ( 10.081 13.348 -0.255) 16.730 20.585 ( -1.002 11.999 -0.024) 12.041 22.919 ( -3.443 14.526 2.013) 15.063 28.813 ( -1.246 -9.515 -0.413) 9.605 41.249 ( -0.850 3.890 -0.204) 3.987 ======================= Grid point 21 (21/266) ======================= q-point: ( 0.37 0.13 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 730 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( 8.906 12.736 -15.675) 22.073 2.990 ( 23.596 3.137 3.389) 24.043 3.249 ( 13.598 0.914 -5.202) 14.588 3.405 ( 2.469 2.926 20.562) 20.916 4.829 ( -2.689 8.990 3.651) 10.068 5.393 ( -5.989 -4.160 -9.636) 12.084 5.628 ( -20.191 11.568 -12.538) 26.432 6.715 ( -1.376 8.824 -2.352) 9.235 7.005 ( -1.001 4.260 12.584) 13.323 7.548 ( 16.207 4.138 -0.265) 16.729 9.318 ( -18.815 10.093 -11.864) 24.426 9.783 ( -3.855 7.918 -12.418) 15.224 10.447 ( -0.220 -12.961 27.241) 30.168 12.280 ( -2.239 -2.834 2.895) 4.629 13.618 ( -24.269 12.917 2.600) 27.615 14.256 ( 24.683 -1.076 -0.962) 24.725 14.845 ( -5.636 35.298 2.982) 35.869 19.607 ( -2.265 -27.201 0.197) 27.296 22.195 ( -2.544 -22.973 1.594) 23.168 29.982 ( -9.772 5.725 -4.213) 12.084 41.151 ( -0.725 0.028 -0.262) 0.771 ======================= Grid point 22 (22/266) ======================= q-point: ( 0.37 -0.37 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( -7.460 5.510 0.000) 9.274 3.692 ( 6.517 7.452 0.000) 9.900 3.771 ( -0.142 7.699 0.000) 7.701 4.147 ( -11.179 1.636 -0.000) 11.298 4.677 ( -15.621 -5.689 -0.000) 16.625 4.957 ( 11.396 -4.267 0.000) 12.169 5.706 ( -1.190 7.277 0.000) 7.374 5.928 ( 6.793 -21.623 -0.000) 22.665 6.992 ( 1.597 -3.506 -0.000) 3.853 8.276 ( -7.941 -0.355 -0.000) 7.949 8.390 ( 6.819 -5.579 -0.000) 8.811 9.410 ( 9.153 -14.780 -0.000) 17.385 10.229 ( 6.353 19.135 0.000) 20.162 11.500 ( 12.469 -12.583 -0.000) 17.715 12.273 ( 13.590 -8.597 -0.000) 16.081 14.175 ( 7.237 31.307 0.000) 32.133 16.124 ( -23.787 -4.486 -0.000) 24.206 19.504 ( 0.658 -19.187 -0.000) 19.198 22.025 ( 1.549 -11.269 -0.000) 11.375 29.383 ( 8.822 3.063 0.000) 9.339 41.033 ( 2.690 -2.835 -0.000) 3.908 ======================= Grid point 23 (23/266) ======================= q-point: (-0.09 0.34 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 9.006 -11.233 1.422) 14.468 2.778 ( -0.921 -2.341 2.716) 3.702 3.028 ( 15.657 -5.724 6.434) 17.869 3.735 ( 7.968 -3.004 -13.117) 15.638 5.174 ( 7.266 2.290 9.094) 11.863 5.425 ( 5.948 3.190 -9.579) 11.718 6.506 ( 10.164 -1.531 6.905) 12.383 6.805 ( 16.122 14.830 2.106) 22.007 7.646 ( 8.333 13.170 -0.264) 15.586 8.235 ( 12.606 -2.379 -13.389) 18.543 8.721 ( 2.446 -16.375 4.592) 17.181 8.853 ( 6.115 2.245 -0.855) 6.570 10.814 ( -5.662 9.790 22.439) 25.128 11.415 ( 4.087 -20.307 5.628) 21.465 12.303 ( -2.269 2.411 -29.373) 29.559 13.364 ( 3.210 10.147 9.462) 14.241 17.082 ( 13.900 12.786 -1.680) 18.961 20.775 ( -0.366 4.649 -0.059) 4.664 23.297 ( -9.678 8.861 5.928) 14.399 28.625 ( 0.761 -8.671 -0.345) 8.712 41.328 ( -0.765 2.065 -0.617) 2.287 ======================= Grid point 24 (24/266) ======================= q-point: (-0.09 -0.16 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -21.659 -14.231 -8.481) 27.268 1.716 ( -21.101 -21.017 -16.244) 33.924 2.752 ( -32.762 -6.622 -13.355) 35.994 3.002 ( -7.853 -4.952 -4.057) 10.132 3.250 ( -11.191 -3.303 2.342) 11.901 5.464 ( -14.809 4.722 19.630) 25.039 5.837 ( -9.594 5.378 3.294) 11.482 6.403 ( 9.683 2.023 2.147) 10.123 6.899 ( -10.939 -7.081 14.501) 19.496 7.632 ( -11.866 16.436 7.690) 21.681 8.178 ( -5.959 -15.906 -1.760) 17.076 8.724 ( 2.843 -18.998 -10.341) 21.816 10.427 ( -10.302 -10.048 -7.768) 16.354 11.618 ( 5.381 -4.265 -10.961) 12.934 12.186 ( -8.681 -5.798 15.493) 18.682 13.101 ( 2.625 3.603 -21.463) 21.921 16.024 ( -26.065 40.909 6.215) 48.903 20.901 ( 5.304 -7.234 3.486) 9.624 24.292 ( 22.378 18.595 -30.862) 42.415 28.745 ( 9.689 -29.235 4.871) 31.181 41.286 ( -3.917 3.259 4.318) 6.679 ======================= Grid point 25 (25/266) ======================= q-point: ( 0.45 -0.45 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.370 ( -7.400 3.170 -0.000) 8.051 3.675 ( 4.257 2.553 0.000) 4.964 3.837 ( 3.861 2.522 0.000) 4.612 4.328 ( -5.349 -1.272 -0.000) 5.498 4.678 ( 0.799 -7.186 -0.000) 7.231 4.821 ( 0.392 3.151 0.000) 3.175 5.346 ( 6.574 -15.095 -0.000) 16.465 5.893 ( -0.601 6.979 0.000) 7.004 6.861 ( 1.035 -4.559 -0.000) 4.675 8.216 ( 0.288 -2.336 -0.000) 2.353 8.392 ( -2.413 1.400 -0.000) 2.789 8.913 ( 11.724 -10.127 -0.000) 15.493 10.456 ( 6.421 13.620 0.000) 15.057 11.119 ( 6.904 -4.310 -0.000) 8.139 11.869 ( 6.278 -8.299 -0.000) 10.406 14.492 ( 5.380 11.592 0.000) 12.780 16.448 ( -13.235 -1.286 -0.000) 13.298 19.223 ( -0.709 -7.453 -0.000) 7.486 21.866 ( -0.082 -3.354 -0.000) 3.355 29.273 ( 4.950 0.448 0.000) 4.970 40.941 ( 1.831 -1.186 -0.000) 2.182 ======================= Grid point 26 (26/266) ======================= q-point: ( 0.45 0.05 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( 18.214 2.185 1.596) 18.414 2.763 ( 10.520 -0.069 -1.774) 10.668 3.139 ( 2.028 3.715 -10.583) 11.398 3.472 ( -0.649 2.065 11.721) 11.919 4.966 ( 0.259 2.393 -0.372) 2.436 5.416 ( -3.307 -2.141 -2.803) 4.835 6.239 ( -21.152 4.910 -4.976) 22.278 6.906 ( -2.476 4.247 -0.069) 4.916 7.131 ( 1.417 6.030 7.976) 10.099 7.274 ( 14.615 -0.928 -3.627) 15.086 9.821 ( -5.364 11.663 -24.014) 27.230 10.004 ( -11.400 -3.459 9.497) 15.235 10.217 ( 0.743 -5.907 14.798) 15.951 12.283 ( -0.791 -0.656 1.814) 2.085 13.749 ( 15.670 -1.438 -0.090) 15.736 14.250 ( -14.896 5.726 1.843) 16.065 15.644 ( -6.483 20.455 0.501) 21.464 19.149 ( 0.032 -15.278 0.231) 15.279 21.867 ( -0.029 -9.427 0.165) 9.429 30.215 ( -5.533 1.706 -1.654) 6.021 41.173 ( -0.636 0.379 -0.053) 0.742 ======================= Grid point 27 (27/266) ======================= q-point: (-0.02 -0.23 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -18.334 -0.000 -9.871) 20.822 1.979 ( -27.207 -0.000 -11.901) 29.696 2.913 ( 3.554 0.000 1.804) 3.985 3.320 ( -12.919 0.000 7.140) 14.761 3.756 ( -44.170 -0.000 -12.316) 45.855 5.691 ( -5.279 0.000 21.647) 22.281 6.223 ( 5.837 -0.000 -5.160) 7.791 6.311 ( -16.834 -0.000 -5.123) 17.596 7.077 ( -16.973 0.000 17.726) 24.542 8.099 ( -8.181 0.000 10.795) 13.545 8.282 ( -8.536 -0.000 -22.169) 23.756 8.394 ( -6.555 0.000 1.755) 6.786 10.577 ( -14.571 -0.000 -3.665) 15.025 11.425 ( 9.308 -0.000 -18.273) 20.507 12.290 ( -5.234 0.000 27.141) 27.641 13.194 ( -6.473 -0.000 -16.829) 18.031 16.760 ( -9.815 0.000 9.288) 13.513 20.785 ( -0.894 -0.000 0.025) 0.894 24.014 ( 20.563 -0.000 -20.808) 29.254 28.423 ( -2.645 -0.000 -0.003) 2.645 41.358 ( -0.673 0.000 2.991) 3.066 ======================= Grid point 28 (28/266) ======================= q-point: (-0.02 0.27 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 14.272 0.000 5.558) 15.316 2.515 ( 25.111 0.000 9.205) 26.745 2.836 ( -4.028 -0.000 -0.903) 4.128 3.526 ( 9.032 -0.000 -10.968) 14.208 4.619 ( 38.758 0.000 7.937) 39.563 5.623 ( -10.396 -0.000 -10.993) 15.130 6.270 ( 9.121 0.000 5.933) 10.881 6.656 ( 16.729 0.000 4.832) 17.413 7.434 ( 17.775 -0.000 -12.653) 21.819 8.259 ( 7.355 -0.000 -9.001) 11.624 8.316 ( 1.118 0.000 11.192) 11.248 8.662 ( 13.340 0.000 1.057) 13.382 10.874 ( 14.260 0.000 2.756) 14.524 11.217 ( -11.218 0.000 22.029) 24.720 12.341 ( 0.396 -0.000 -28.783) 28.786 13.350 ( 7.586 0.000 11.416) 13.707 16.979 ( 11.875 -0.000 -4.828) 12.819 20.803 ( 0.898 0.000 -0.012) 0.898 23.651 ( -15.505 0.000 11.804) 19.487 28.478 ( 2.753 0.000 -0.012) 2.753 41.361 ( -0.308 -0.000 -1.464) 1.496 ======================= Grid point 29 (29/266) ======================= q-point: (-0.48 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( -0.000 -2.366 -1.742) 2.938 2.651 ( -0.000 1.155 1.164) 1.640 3.120 ( -0.000 -5.022 11.931) 12.945 3.479 ( 0.000 -2.132 -12.244) 12.429 4.961 ( -0.000 -2.087 0.511) 2.149 5.450 ( -0.000 2.213 2.693) 3.485 6.543 ( -0.000 -5.369 10.065) 11.407 6.943 ( 0.000 -2.586 -9.936) 10.267 6.947 ( -0.000 -7.695 -3.056) 8.280 7.195 ( -0.000 0.504 3.776) 3.810 9.848 ( -0.000 -10.488 23.563) 25.792 10.164 ( 0.000 11.136 -22.863) 25.431 10.200 ( -0.000 -3.338 -0.530) 3.380 12.288 ( 0.000 0.817 -2.187) 2.334 13.585 ( 0.000 1.226 -0.007) 1.226 14.403 ( -0.000 -6.316 -2.032) 6.635 15.711 ( -0.000 -21.253 -0.464) 21.258 19.149 ( 0.000 15.899 -0.255) 15.901 21.867 ( 0.000 9.834 -0.179) 9.835 30.272 ( -0.000 -1.642 1.775) 2.418 41.179 ( -0.000 -0.522 0.039) 0.524 ======================= Grid point 30 (30/266) ======================= q-point: (-0.48 0.48 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.476 ( 1.642 -1.480 -0.000) 2.210 3.644 ( 1.063 -0.345 0.000) 1.117 3.778 ( -0.570 -1.734 -0.000) 1.826 4.371 ( -0.907 0.862 0.000) 1.251 4.603 ( -4.288 -3.013 -0.000) 5.241 4.875 ( 4.157 6.765 0.000) 7.940 5.225 ( -5.163 5.488 0.000) 7.535 5.963 ( 5.647 4.307 0.000) 7.102 6.825 ( -2.486 0.143 -0.000) 2.491 8.255 ( 2.594 5.081 0.000) 5.705 8.436 ( 1.971 2.668 0.000) 3.318 8.725 ( -4.910 4.084 0.000) 6.387 10.432 ( 5.084 -5.044 -0.000) 7.162 11.046 ( -0.288 3.640 0.000) 3.651 11.790 ( -2.263 5.042 0.000) 5.526 14.439 ( 0.240 -10.739 -0.000) 10.742 16.584 ( -0.008 1.218 0.000) 1.218 19.231 ( 0.012 7.175 0.000) 7.175 21.868 ( 0.069 3.241 0.000) 3.241 29.220 ( -0.250 -0.835 -0.000) 0.872 40.922 ( -0.045 1.145 0.000) 1.146 ======================= Grid point 31 (31/266) ======================= q-point: ( 0.06 0.19 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 19.460 13.188 4.197) 23.879 2.138 ( 21.464 15.015 13.573) 29.502 2.893 ( -1.307 -1.234 -2.952) 3.456 3.389 ( 10.976 5.768 -5.237) 13.460 3.786 ( 41.845 2.991 12.534) 43.784 5.682 ( 4.328 -2.242 -19.663) 20.258 6.094 ( 15.471 -13.830 3.766) 21.090 6.242 ( -3.503 0.099 2.465) 4.285 7.158 ( 13.895 3.098 -11.763) 18.467 7.836 ( 8.725 -12.053 -8.472) 17.122 8.350 ( 10.493 5.459 11.945) 16.811 8.725 ( 1.987 20.901 0.204) 20.996 10.649 ( 10.940 4.622 8.295) 14.486 11.497 ( -6.205 8.817 13.482) 17.263 12.320 ( 3.663 2.708 -23.870) 24.301 13.137 ( 5.320 -5.173 16.462) 18.057 16.443 ( 17.406 -26.611 -5.753) 32.314 20.823 ( -2.570 1.695 -0.955) 3.223 23.881 ( -18.465 -12.451 18.138) 28.722 28.634 ( -2.488 18.387 -1.660) 18.629 41.333 ( 1.091 -2.305 -2.508) 3.577 ======================= Grid point 32 (32/266) ======================= q-point: ( 0.06 -0.31 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -13.176 13.490 -3.113) 19.112 2.581 ( -20.900 6.073 -10.548) 24.185 2.863 ( 0.832 3.055 2.307) 3.917 3.574 ( -8.232 4.311 9.268) 13.125 4.607 ( -37.245 -1.121 -8.026) 38.116 5.596 ( 10.551 -2.722 10.436) 15.088 6.301 ( -8.931 3.000 -5.116) 10.720 6.454 ( -18.019 -17.177 -2.246) 24.996 7.432 ( -12.588 -4.296 5.060) 14.230 8.012 ( -9.427 -4.792 11.613) 15.707 8.571 ( -10.523 3.433 -13.347) 17.340 8.776 ( -2.734 15.468 4.793) 16.423 10.826 ( -5.048 -4.962 -12.841) 14.663 11.394 ( 2.771 17.163 -11.826) 21.026 12.340 ( 1.001 -0.136 27.550) 27.569 13.266 ( -6.267 -7.819 -12.002) 15.635 16.775 ( -15.904 -17.856 3.468) 24.162 20.788 ( 1.065 -2.216 0.250) 2.471 23.545 ( 14.621 -10.019 -10.580) 20.642 28.615 ( -0.080 12.265 0.715) 12.286 41.339 ( 0.248 -2.002 1.308) 2.404 ======================= Grid point 33 (33/266) ======================= q-point: (-0.41 0.41 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.279 ( 7.809 -5.546 -0.000) 9.578 3.606 ( -1.834 -4.595 -0.000) 4.947 3.754 ( -1.869 -5.411 -0.000) 5.725 4.322 ( 6.008 -1.783 0.000) 6.267 4.721 ( -9.623 -0.272 -0.000) 9.626 4.934 ( 8.418 11.258 0.000) 14.057 5.737 ( -11.995 21.829 0.000) 24.907 5.852 ( 11.932 3.238 0.000) 12.363 6.935 ( -4.115 2.310 -0.000) 4.719 8.334 ( 1.247 8.163 0.000) 8.257 8.426 ( 6.616 4.818 0.000) 8.185 9.180 ( -13.338 15.439 0.000) 20.402 10.138 ( -0.655 -16.499 -0.000) 16.512 11.291 ( -7.634 12.693 0.000) 14.812 12.072 ( -6.980 10.613 0.000) 12.703 14.064 ( -3.549 -28.394 -0.000) 28.615 16.502 ( 13.003 3.969 0.000) 13.596 19.495 ( -0.222 17.626 0.000) 17.627 22.003 ( -0.647 9.721 0.000) 9.743 29.242 ( -5.020 -2.711 -0.000) 5.705 40.987 ( -1.737 3.132 0.000) 3.582 ======================= Grid point 34 (34/266) ======================= q-point: (-0.41 -0.09 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( -18.265 -6.023 -3.473) 19.544 2.739 ( -4.949 -3.806 8.626) 10.649 3.010 ( -8.704 -7.249 16.136) 19.715 3.396 ( 0.246 -4.991 -24.139) 24.650 4.858 ( 0.563 -8.592 -1.732) 8.783 5.492 ( 3.532 4.641 9.418) 11.078 6.057 ( 20.898 -11.846 13.081) 27.352 6.732 ( -0.129 -12.421 4.194) 13.111 6.964 ( -6.375 -8.982 -18.915) 21.888 7.255 ( -10.289 -3.040 4.933) 11.808 9.552 ( 4.554 -14.674 25.448) 29.726 9.945 ( 10.410 -7.186 -0.913) 12.683 10.443 ( -0.395 13.900 -25.394) 28.952 12.310 ( 0.897 1.798 -5.069) 5.453 13.796 ( -14.234 1.912 0.248) 14.364 14.027 ( 10.999 -14.860 -4.279) 18.977 14.954 ( 4.109 -41.594 -2.640) 41.880 19.647 ( 1.513 29.274 -0.225) 29.314 22.238 ( 1.527 25.828 -1.970) 25.948 30.143 ( 5.788 -5.353 5.298) 9.498 41.158 ( 0.095 -1.024 0.162) 1.041 ======================= Grid point 35 (35/266) ======================= q-point: ( 0.13 -0.38 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( -5.203 15.301 1.732) 16.254 2.854 ( -4.525 5.706 -6.561) 9.802 3.190 ( -10.399 9.744 -2.831) 14.529 3.820 ( -6.524 5.045 10.134) 13.066 5.109 ( -9.642 -3.913 -9.398) 14.022 5.330 ( -2.527 -5.929 8.611) 10.756 6.390 ( -17.468 -21.774 0.031) 27.915 6.567 ( -8.944 1.632 -3.624) 9.787 7.326 ( -3.016 -15.884 0.741) 16.185 8.362 ( -14.185 7.054 10.543) 19.030 8.742 ( -8.511 -5.873 -3.391) 10.883 9.082 ( 3.572 16.260 -0.075) 16.648 10.596 ( 5.403 -11.811 -24.532) 27.758 11.910 ( 0.407 25.065 0.358) 25.071 12.237 ( 3.418 -1.869 25.376) 25.673 13.081 ( -0.509 -16.198 -11.677) 19.974 16.767 ( -17.954 -16.123 0.725) 24.142 20.617 ( 2.210 -10.858 0.105) 11.081 23.042 ( 8.554 -15.422 -4.411) 18.179 28.850 ( 2.519 12.136 0.962) 12.431 41.269 ( 1.014 -3.579 0.499) 3.753 ======================= Grid point 36 (36/266) ======================= q-point: ( 0.13 0.12 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 16.129 23.164 0.393) 28.229 2.174 ( 23.434 21.592 9.674) 33.301 2.828 ( 4.007 1.329 -1.200) 4.389 3.287 ( 23.110 18.458 16.988) 34.108 3.325 ( 9.056 6.531 0.403) 11.173 5.342 ( 7.135 -3.059 -3.791) 8.639 5.889 ( 1.618 6.322 -19.928) 20.970 6.348 ( -5.932 -2.182 -0.954) 6.392 6.934 ( 7.128 -4.520 -9.431) 12.656 7.398 ( 15.956 -4.314 -4.488) 17.127 8.556 ( -4.983 19.200 -2.487) 19.991 9.111 ( 0.505 18.131 0.615) 18.149 10.575 ( 4.169 1.032 17.923) 18.430 11.870 ( 0.160 21.758 0.526) 21.765 12.323 ( 4.160 6.876 -0.192) 8.039 13.055 ( -4.151 1.010 13.906) 14.548 15.254 ( 34.311 -30.515 0.638) 45.922 20.916 ( -7.743 -6.455 -3.380) 10.632 23.826 ( -14.141 -25.742 19.321) 35.156 29.327 ( -16.865 24.428 -8.697) 30.932 41.220 ( 4.122 -2.705 -2.050) 5.340 ======================= Grid point 37 (37/266) ======================= q-point: (-0.33 -0.17 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 730 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( -7.854 -16.626 19.383) 26.718 2.896 ( -24.183 -6.289 -5.151) 25.513 3.170 ( -8.779 -6.461 -12.881) 16.874 3.363 ( -9.788 -1.222 -6.266) 11.686 4.575 ( 0.739 -15.980 -10.916) 19.366 5.345 ( 14.584 -9.144 16.779) 24.038 5.528 ( 9.267 3.173 13.976) 17.067 6.495 ( -2.399 -11.760 6.461) 13.630 6.910 ( -4.448 -4.260 -15.715) 16.878 7.453 ( -17.153 -4.940 1.528) 17.916 9.058 ( 11.564 -14.929 16.655) 25.179 9.602 ( 5.338 -9.518 5.665) 12.295 10.728 ( 0.859 13.566 -27.283) 30.482 12.336 ( -0.544 1.350 -2.613) 2.991 13.259 ( 17.795 -22.543 -2.096) 28.796 13.876 ( 3.465 -33.427 -3.400) 33.778 14.551 ( -24.838 6.840 -2.653) 25.899 20.168 ( 4.406 25.669 0.405) 26.048 22.777 ( 6.882 32.681 -5.873) 33.910 29.816 ( 10.102 -10.584 7.364) 16.380 41.152 ( -0.694 0.144 0.539) 0.890 ======================= Grid point 38 (38/266) ======================= q-point: (-0.33 0.33 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( 7.149 -6.279 -0.000) 9.515 3.491 ( -2.763 -12.589 -0.000) 12.889 3.593 ( 3.180 -9.524 -0.000) 10.041 4.094 ( 9.817 -3.307 0.000) 10.359 4.790 ( 13.801 5.479 0.000) 14.848 5.088 ( -6.630 7.950 0.000) 10.352 5.705 ( 10.598 7.300 0.000) 12.869 6.330 ( -3.472 16.390 0.000) 16.754 7.014 ( -0.839 -0.174 -0.000) 0.857 8.358 ( 12.948 7.051 0.000) 14.743 8.501 ( -2.837 4.603 0.000) 5.407 9.732 ( -7.906 15.942 0.000) 17.795 9.836 ( -5.723 -18.926 -0.000) 19.772 11.841 ( -10.338 20.341 0.000) 22.817 12.433 ( -9.670 6.815 0.000) 11.831 13.439 ( -3.394 -38.547 -0.000) 38.697 16.253 ( 22.796 8.159 0.000) 24.212 19.930 ( -2.425 20.952 0.000) 21.092 22.312 ( -3.850 16.073 0.000) 16.528 29.283 ( -7.942 -6.763 -0.000) 10.431 41.104 ( -2.166 3.972 0.000) 4.524 ======================= Grid point 39 (39/266) ======================= q-point: ( 0.20 0.05 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 23.162 15.316 5.158) 28.244 2.264 ( 5.872 28.419 1.349) 29.051 2.848 ( -0.176 0.097 -2.865) 2.872 3.123 ( 9.503 3.066 -3.599) 10.613 3.719 ( 2.482 33.835 19.572) 39.167 5.596 ( -10.578 18.723 -2.055) 21.603 6.039 ( -2.807 2.608 -21.970) 22.301 6.373 ( -0.715 -0.948 2.078) 2.393 6.674 ( 6.549 -5.110 -12.500) 15.008 7.145 ( 9.928 6.355 -5.904) 13.183 9.165 ( -8.700 21.632 -13.042) 26.715 9.460 ( -1.783 15.209 -0.151) 15.314 10.463 ( -0.124 -8.769 26.482) 27.896 12.134 ( 3.457 6.490 6.337) 9.707 12.756 ( -4.561 35.817 4.904) 36.437 13.354 ( -6.221 16.111 9.490) 19.706 14.145 ( 28.513 -10.355 2.498) 30.438 20.767 ( -4.520 -20.521 -2.595) 21.172 23.413 ( -5.602 -32.328 13.200) 35.365 30.018 ( -12.408 9.863 -12.189) 19.995 41.117 ( 2.990 0.785 -0.477) 3.128 ======================= Grid point 40 (40/266) ======================= q-point: ( 0.20 -0.45 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( -4.113 8.448 -2.835) 9.814 3.202 ( -3.027 13.389 -0.231) 13.729 3.486 ( -1.471 7.535 -3.898) 8.610 4.038 ( -4.388 4.849 12.574) 14.173 4.898 ( 9.761 -3.190 -6.496) 12.151 5.436 ( -12.547 -10.897 1.095) 16.654 6.314 ( -19.226 -20.205 4.938) 28.324 6.624 ( 0.551 -10.436 -6.947) 12.549 6.982 ( 4.650 -12.242 6.501) 14.620 8.643 ( -4.309 -3.248 -0.814) 5.457 8.737 ( -6.490 -3.897 0.135) 7.572 9.356 ( -0.139 12.392 6.135) 13.829 10.208 ( 3.934 -14.294 -29.458) 32.978 11.734 ( 10.243 -15.496 27.997) 33.598 12.661 ( 4.325 17.293 -9.005) 19.971 12.734 ( -3.716 -1.494 -2.197) 4.568 16.801 ( -11.634 -10.913 0.051) 15.951 20.282 ( 1.468 -17.211 0.018) 17.274 22.591 ( 2.903 -16.668 -1.224) 16.963 29.004 ( 3.000 8.512 0.586) 9.044 41.159 ( 1.131 -4.660 0.165) 4.798 ======================= Grid point 41 (41/266) ======================= q-point: (-0.26 0.26 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 7.692 -6.723 -0.000) 10.216 3.131 ( 3.478 -22.781 -0.000) 23.045 3.239 ( 7.889 -11.954 -0.000) 14.323 3.828 ( 10.007 -2.964 0.000) 10.436 4.427 ( 29.016 2.533 0.000) 29.126 5.410 ( -4.903 9.163 0.000) 10.392 5.765 ( 1.784 10.406 0.000) 10.558 6.480 ( 3.545 -1.537 0.000) 3.864 7.031 ( 3.239 6.743 0.000) 7.481 8.154 ( 19.096 4.413 0.000) 19.599 8.572 ( -3.077 -4.556 -0.000) 5.497 9.561 ( -4.154 -18.888 -0.000) 19.339 10.159 ( -3.637 14.519 0.000) 14.968 12.390 ( -0.038 18.551 0.000) 18.551 12.652 ( -1.738 -40.874 -0.000) 40.910 12.703 ( -8.874 0.483 -0.000) 8.887 15.978 ( 26.814 15.665 0.000) 31.054 20.408 ( -4.867 17.214 0.000) 17.889 22.807 ( -8.236 19.432 0.000) 21.106 29.257 ( -9.363 -13.264 -0.000) 16.236 41.219 ( -0.998 3.718 0.000) 3.850 ======================= Grid point 42 (42/266) ======================= q-point: (-0.26 -0.24 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -13.847 -14.333 16.559) 25.911 3.052 ( -3.278 -6.292 -17.545) 18.926 3.179 ( -15.645 -16.597 -6.856) 23.817 3.588 ( -11.043 -3.780 1.184) 11.732 4.348 ( -12.790 -10.527 -13.308) 21.249 5.175 ( -2.796 7.622 9.933) 12.829 5.482 ( 4.325 7.477 15.091) 17.388 6.373 ( -5.405 -7.512 4.988) 10.513 7.006 ( -6.827 2.391 -10.777) 12.979 7.727 ( -18.077 -4.790 1.266) 18.743 8.619 ( 4.103 -8.850 10.896) 14.625 9.341 ( 1.447 -9.487 6.050) 11.344 10.955 ( 0.408 9.871 -27.285) 29.019 12.319 ( -3.212 -10.929 4.067) 12.096 12.449 ( 15.692 -20.703 4.259) 26.325 13.249 ( 5.995 -10.159 -9.741) 15.298 15.398 ( -28.941 17.109 0.075) 33.620 20.502 ( 5.540 16.829 0.795) 17.735 23.228 ( 13.676 30.085 -9.457) 34.374 29.334 ( 9.218 -15.671 6.032) 19.156 41.194 ( -0.947 2.089 1.119) 2.552 ======================= Grid point 43 (43/266) ======================= q-point: ( 0.28 -0.53 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.293 ( -2.944 8.008 -0.752) 8.565 3.483 ( -2.248 8.797 0.274) 9.084 3.601 ( 2.346 6.172 -3.337) 7.398 4.174 ( 0.836 5.046 11.836) 12.894 4.702 ( 3.963 -2.531 -9.381) 10.494 5.343 ( -4.438 -13.173 0.805) 13.924 5.974 ( 18.546 -24.023 -6.873) 31.117 6.343 ( -19.603 -17.362 8.696) 27.593 6.784 ( 3.733 -2.931 5.937) 7.600 8.552 ( -0.639 -6.426 0.220) 6.461 8.801 ( -5.043 -2.568 -7.375) 9.296 9.241 ( 14.187 -12.454 -2.903) 19.099 10.184 ( -18.215 0.910 -13.170) 22.496 11.222 ( 4.653 -15.502 25.962) 30.594 12.345 ( 2.665 -14.013 -10.592) 17.767 13.398 ( -1.591 32.905 0.952) 32.957 16.744 ( 0.026 -6.848 -0.020) 6.848 19.882 ( -0.001 -19.613 0.002) 19.613 22.249 ( -0.719 -14.475 0.013) 14.493 29.101 ( 0.693 5.280 -0.004) 5.325 41.047 ( 0.143 -4.498 0.005) 4.500 ======================= Grid point 44 (44/266) ======================= q-point: ( 0.28 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 0.000 12.127 4.761) 13.028 2.761 ( 0.000 21.217 8.058) 22.696 2.795 ( -0.000 -3.019 -2.104) 3.680 3.129 ( 0.000 7.650 -15.250) 17.061 4.361 ( 0.000 26.671 13.662) 29.967 5.960 ( 0.000 -11.258 -13.872) 17.866 6.205 ( 0.000 22.063 2.996) 22.266 6.296 ( -0.000 -4.111 13.743) 14.345 6.720 ( 0.000 15.413 -28.302) 32.226 7.194 ( 0.000 6.254 -5.806) 8.534 9.674 ( 0.000 18.723 -16.755) 25.126 9.793 ( 0.000 13.473 2.128) 13.640 10.215 ( -0.000 -14.816 27.765) 31.470 12.177 ( -0.000 1.731 9.053) 9.217 13.607 ( 0.000 31.070 -2.052) 31.138 13.708 ( -0.000 -4.043 0.023) 4.043 13.972 ( 0.000 40.388 10.106) 41.633 20.288 ( -0.000 -29.098 -0.687) 29.106 22.794 ( -0.000 -31.429 5.841) 31.967 30.256 ( 0.000 3.573 -8.177) 8.923 41.125 ( 0.000 1.987 -0.107) 1.989 ======================= Grid point 45 (45/266) ======================= q-point: (-0.18 -0.32 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 730 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( -14.580 -9.403 8.939) 19.516 2.969 ( -1.237 -7.636 -7.981) 11.114 3.027 ( -10.660 -15.461 -8.769) 20.727 3.607 ( -4.917 -7.859 0.591) 9.289 4.726 ( -27.487 1.527 -5.457) 28.065 5.312 ( 3.492 3.355 10.161) 11.256 6.006 ( -16.836 25.204 3.056) 30.463 6.424 ( -10.070 -1.538 -1.813) 10.347 7.273 ( -6.827 10.036 -5.097) 13.164 7.901 ( -14.776 -10.179 4.572) 18.517 8.608 ( -8.250 1.498 5.255) 9.895 9.120 ( 0.535 -11.212 -1.832) 11.374 11.110 ( -2.555 2.210 -21.566) 21.829 11.866 ( 12.710 -5.831 18.953) 23.553 11.987 ( -1.775 -21.618 -2.294) 21.811 13.246 ( 0.670 10.835 -6.843) 12.833 16.319 ( -23.259 18.968 1.909) 30.074 20.668 ( 3.315 9.083 0.474) 9.680 23.443 ( 16.862 21.071 -10.277) 28.878 28.875 ( 3.347 -14.966 2.654) 15.563 41.261 ( -0.305 2.833 1.255) 3.114 ======================= Grid point 46 (46/266) ======================= q-point: (-0.18 0.18 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 18.399 -15.701 -0.000) 24.188 2.426 ( 13.465 -27.746 -0.000) 30.841 2.968 ( 1.106 -3.369 -0.000) 3.546 3.556 ( 10.623 -3.301 0.000) 11.124 3.712 ( 38.684 -6.287 0.000) 39.192 5.588 ( 10.700 14.155 0.000) 17.744 6.045 ( -11.058 6.213 -0.000) 12.683 6.247 ( 4.644 -9.578 -0.000) 10.644 7.159 ( 4.350 11.335 0.000) 12.141 7.818 ( 20.004 4.038 0.000) 20.408 8.416 ( -1.468 -15.308 -0.000) 15.379 9.182 ( 1.615 -20.828 -0.000) 20.890 10.443 ( 2.069 9.116 0.000) 9.348 11.850 ( 0.239 -32.446 -0.000) 32.447 12.595 ( 11.709 10.600 0.000) 15.795 12.805 ( -5.028 -3.852 -0.000) 6.334 15.876 ( 26.771 28.152 0.000) 38.849 20.790 ( -6.718 7.495 0.000) 10.065 23.398 ( -11.243 17.567 0.000) 20.857 29.105 ( -11.094 -21.725 -0.000) 24.394 41.292 ( 1.042 3.518 0.000) 3.669 ======================= Grid point 47 (47/266) ======================= q-point: ( 0.35 -0.10 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( -19.912 7.316 2.287) 21.337 2.819 ( -7.519 -1.105 -0.647) 7.627 2.997 ( -2.973 1.095 13.447) 13.815 3.439 ( -1.244 16.941 -22.178) 27.936 4.732 ( 2.777 12.027 10.283) 16.065 5.700 ( 2.634 -9.918 -11.166) 15.165 6.098 ( 12.354 1.434 6.604) 14.082 6.613 ( 0.980 14.454 9.653) 17.409 7.035 ( 1.628 10.228 -15.996) 19.056 7.398 ( -10.038 5.621 -9.050) 14.638 9.772 ( 14.081 -0.091 12.756) 19.000 9.947 ( 2.488 -4.067 8.471) 9.720 10.071 ( -1.942 12.632 -8.961) 15.609 12.210 ( 0.359 1.577 4.499) 4.781 13.807 ( -15.248 -2.608 -0.731) 15.487 13.964 ( 10.451 15.402 2.124) 18.734 14.895 ( 4.066 45.009 2.850) 45.282 19.643 ( 1.503 -29.635 0.140) 29.673 22.202 ( 1.262 -22.925 1.439) 23.005 30.237 ( 6.550 1.838 -3.815) 7.800 41.161 ( 0.009 0.923 -0.117) 0.931 ======================= Grid point 48 (48/266) ======================= q-point: ( 0.35 0.40 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.392 ( 6.427 4.067 -1.378) 7.730 3.604 ( -0.105 2.866 5.670) 6.353 3.787 ( -6.854 7.023 -2.819) 10.210 4.230 ( 3.971 4.505 5.328) 8.029 4.573 ( 3.349 -3.558 -9.173) 10.393 5.126 ( 0.073 -11.068 3.343) 11.563 5.263 ( 12.243 -7.343 -8.436) 16.582 6.363 ( -17.297 -17.624 10.366) 26.782 6.680 ( 2.011 -0.306 3.278) 3.858 8.431 ( 1.132 -5.559 1.385) 5.840 8.608 ( 13.025 -10.121 0.101) 16.495 8.939 ( -11.071 -2.965 -18.218) 21.524 10.615 ( -16.072 -3.670 10.291) 19.434 11.051 ( -13.556 -3.213 11.853) 18.292 12.026 ( 2.207 -11.104 -10.191) 15.232 14.091 ( -5.026 27.137 0.706) 27.608 16.501 ( 13.033 -3.960 -0.013) 13.621 19.496 ( -0.268 -17.613 0.014) 17.615 22.014 ( -1.223 -10.477 0.205) 10.550 29.217 ( -3.774 3.374 -0.410) 5.078 40.982 ( -1.520 -2.997 -0.069) 3.361 ======================= Grid point 49 (49/266) ======================= q-point: (-0.11 0.11 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 25.387 -17.964 -0.000) 31.100 1.508 ( 21.213 -25.853 -0.000) 33.442 2.599 ( 50.886 -12.761 0.000) 52.462 2.979 ( -1.889 1.557 0.000) 2.448 3.274 ( 10.206 -3.002 0.000) 10.638 5.625 ( 17.640 19.580 0.000) 26.354 5.994 ( 2.052 -6.875 -0.000) 7.175 6.393 ( -13.512 2.015 -0.000) 13.662 7.157 ( 10.667 0.508 0.000) 10.679 7.713 ( 9.941 18.541 0.000) 21.038 7.995 ( 0.231 -26.889 -0.000) 26.890 8.656 ( 4.579 -23.174 -0.000) 23.622 10.334 ( 10.628 -5.413 0.000) 11.927 11.486 ( -6.359 -8.586 -0.000) 10.684 12.435 ( 17.846 5.430 0.000) 18.654 12.779 ( -1.463 -3.972 -0.000) 4.233 16.096 ( 27.305 48.392 0.000) 55.564 20.946 ( -8.530 -8.634 -0.000) 12.137 23.927 ( -10.922 10.636 0.000) 15.245 28.799 ( -13.144 -32.688 -0.000) 35.232 41.336 ( 2.502 4.870 0.000) 5.475 ======================= Grid point 50 (50/266) ======================= q-point: (-0.11 -0.39 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( -7.015 -8.032 -1.063) 10.717 2.816 ( 1.342 -5.948 -1.225) 6.219 3.137 ( -17.858 -4.090 1.202) 18.360 3.563 ( -4.078 -4.026 -2.671) 6.322 5.180 ( 2.267 2.219 13.821) 14.180 5.377 ( -17.092 2.685 -9.956) 19.962 6.560 ( -13.416 0.252 4.445) 14.135 6.909 ( -14.005 15.783 -10.153) 23.417 7.691 ( -7.441 15.039 -3.771) 17.198 8.028 ( -14.597 -3.124 5.889) 16.047 8.736 ( -1.373 -11.252 1.169) 11.396 8.911 ( -4.469 -3.481 -6.186) 8.387 11.160 ( -1.619 1.193 -6.618) 6.917 11.559 ( 1.896 -13.995 15.571) 21.022 11.769 ( 2.260 2.638 -3.938) 5.251 13.484 ( -1.352 9.094 -2.540) 9.538 17.041 ( -15.522 11.709 2.278) 19.576 20.773 ( 0.264 4.742 0.076) 4.750 23.442 ( 14.084 10.177 -8.063) 19.156 28.617 ( -1.068 -7.972 0.483) 8.058 41.313 ( 0.169 1.959 0.826) 2.132 ======================= Grid point 51 (51/266) ======================= q-point: ( 0.43 0.32 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.277 ( 8.185 1.320 -4.625) 9.493 3.660 ( -2.308 -0.285 12.465) 12.680 4.072 ( 0.948 6.291 -3.940) 7.483 4.174 ( -2.014 -1.803 -2.182) 3.474 4.448 ( 8.872 1.243 -3.280) 9.541 4.986 ( -2.697 -4.552 2.065) 5.680 5.196 ( 0.040 12.452 -8.020) 14.811 6.312 ( -16.866 -20.309 9.494) 28.054 6.715 ( -1.601 3.733 1.624) 4.374 8.293 ( -1.281 -0.820 -1.735) 2.308 8.363 ( 3.395 -3.314 4.154) 6.306 9.208 ( -12.158 4.673 -20.091) 23.943 10.611 ( -4.776 -10.717 26.035) 28.557 11.525 ( -25.913 -4.297 -11.036) 28.491 11.930 ( -8.951 2.762 -0.114) 9.369 14.665 ( -10.407 11.586 0.249) 15.575 16.063 ( 24.235 -1.431 -0.003) 24.277 19.205 ( 1.089 -8.407 0.020) 8.478 21.868 ( 0.019 -4.466 0.060) 4.467 29.397 ( -8.414 1.921 -0.306) 8.636 40.988 ( -2.917 -0.844 -0.043) 3.037 ======================= Grid point 52 (52/266) ======================= q-point: ( 0.43 -0.18 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( -7.877 -0.593 7.763) 11.075 3.055 ( -21.250 3.704 2.785) 21.750 3.100 ( -18.877 -4.463 1.710) 19.472 3.736 ( 1.274 10.802 -22.804) 25.265 4.779 ( 6.161 2.756 14.938) 16.392 5.458 ( 5.119 -6.543 -9.349) 12.507 5.816 ( 12.474 -4.908 4.780) 14.231 6.805 ( 6.355 11.848 3.897) 13.998 7.028 ( 5.436 -1.033 -1.808) 5.821 7.768 ( -12.125 5.093 -12.973) 18.473 9.361 ( 17.413 -6.662 14.839) 23.828 9.759 ( 8.518 -3.325 10.114) 13.634 10.384 ( -2.930 12.528 -16.085) 20.598 12.186 ( 5.556 0.971 3.647) 6.717 13.793 ( 26.447 6.184 -0.515) 27.165 14.208 ( -27.114 -2.013 0.063) 27.188 15.443 ( 11.292 19.507 0.926) 22.559 19.149 ( -0.349 -13.438 0.107) 13.443 21.864 ( 0.000 -7.926 0.118) 7.927 30.082 ( 9.964 -0.549 -0.962) 10.025 41.153 ( 1.493 -0.112 -0.059) 1.499 ======================= Grid point 53 (53/266) ======================= q-point: (-0.04 -0.46 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( -4.376 -0.000 -0.259) 4.384 2.704 ( 2.390 -0.000 -1.310) 2.726 3.438 ( -13.095 0.000 8.281) 15.494 3.596 ( -2.444 -0.000 -7.804) 8.178 5.055 ( 7.233 0.000 5.466) 9.066 5.748 ( -12.082 -0.000 -3.324) 12.531 6.789 ( -8.320 -0.000 0.874) 8.365 7.270 ( -6.426 -0.000 -3.935) 7.535 8.053 ( -8.726 -0.000 -4.572) 9.852 8.335 ( -4.509 0.000 5.755) 7.311 8.459 ( -2.514 -0.000 -6.556) 7.022 8.970 ( -0.854 0.000 0.677) 1.090 11.238 ( 5.542 0.000 6.099) 8.242 11.343 ( -5.604 -0.000 -1.213) 5.733 11.793 ( 0.612 0.000 -0.060) 0.615 13.609 ( -0.781 -0.000 -0.618) 0.996 17.403 ( -8.372 -0.000 1.149) 8.450 20.832 ( -0.405 -0.000 0.000) 0.405 23.323 ( 7.470 -0.000 -4.097) 8.520 28.567 ( -1.299 -0.000 0.017) 1.299 41.330 ( 0.240 0.000 0.338) 0.414 ======================= Grid point 54 (54/266) ======================= q-point: (-0.04 0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 30.537 0.000 0.000) 30.537 0.624 ( 29.920 0.000 0.000) 29.920 1.258 ( 61.427 0.000 0.000) 61.427 3.047 ( -1.561 -0.000 -0.000) 1.561 3.053 ( 7.096 0.000 0.000) 7.096 5.729 ( 7.617 0.000 0.000) 7.617 5.914 ( -1.056 -0.000 -0.000) 1.056 6.639 ( -10.817 -0.000 -0.000) 10.817 6.916 ( 9.764 0.000 0.000) 9.764 7.397 ( 10.199 0.000 0.000) 10.199 7.962 ( 3.679 0.000 0.000) 3.679 8.166 ( 2.864 0.000 0.000) 2.864 10.057 ( 6.976 0.000 0.000) 6.976 11.558 ( -5.526 -0.000 -0.000) 5.526 12.185 ( 12.177 0.000 0.000) 12.177 12.745 ( -0.203 -0.000 -0.000) 0.203 16.738 ( 0.869 0.000 0.000) 0.869 20.758 ( 0.390 0.000 0.000) 0.390 24.224 ( -6.607 -0.000 -0.000) 6.607 28.342 ( 1.109 0.000 0.000) 1.109 41.400 ( -0.012 -0.000 -0.000) 0.012 ======================= Grid point 55 (55/266) ======================= q-point: (-0.50 -0.25 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.958 ( -7.330 -8.170 9.831) 14.735 3.471 ( -18.529 1.356 0.033) 18.578 3.614 ( -22.116 -0.558 -3.532) 22.403 3.840 ( -0.800 2.815 -19.257) 19.478 4.655 ( 9.513 1.559 16.250) 18.894 5.215 ( 6.615 -4.828 -3.214) 8.798 5.371 ( 10.886 -14.559 6.641) 19.354 6.786 ( 3.978 -4.205 -2.040) 6.137 6.970 ( 8.955 13.052 -2.921) 16.096 8.036 ( -10.115 -1.013 -11.312) 15.209 8.833 ( 19.954 -5.650 9.439) 22.786 9.514 ( 6.234 -5.545 16.512) 18.500 10.699 ( -1.785 13.022 -22.698) 26.229 12.050 ( 9.743 2.977 7.937) 12.914 13.176 ( 36.293 -2.358 -2.728) 36.471 14.803 ( -30.130 -0.493 0.329) 30.136 15.222 ( 11.216 -13.004 -0.275) 17.175 19.165 ( -0.694 11.833 -0.082) 11.854 21.868 ( 0.014 7.227 -0.065) 7.228 29.822 ( 11.252 -3.467 0.710) 11.795 41.109 ( 2.512 0.209 0.064) 2.522 ======================= Grid point 56 (56/266) ======================= q-point: (-0.50 0.25 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.139 ( 5.594 -1.403 -7.746) 9.657 3.651 ( -1.067 -5.457 16.874) 17.767 3.852 ( 16.472 1.051 0.563) 16.515 4.118 ( 16.244 -5.085 -1.893) 17.126 4.390 ( -6.877 0.787 -11.852) 13.725 5.098 ( -9.776 2.353 3.000) 10.493 5.553 ( -3.082 10.438 4.223) 11.674 6.287 ( -17.247 -12.881 -4.932) 22.083 6.860 ( -2.768 4.817 3.407) 6.517 8.178 ( 7.622 -3.769 4.034) 9.411 8.528 ( -15.444 3.464 0.001) 15.827 9.559 ( -7.006 9.493 -22.640) 25.530 10.427 ( -1.784 -13.426 23.296) 26.947 11.803 ( -13.026 0.656 -13.957) 19.102 12.504 ( -30.339 3.559 6.146) 31.160 14.890 ( -12.591 -14.667 -0.417) 19.335 15.498 ( 30.596 1.608 -0.030) 30.638 19.181 ( 1.139 9.722 -0.040) 9.788 21.864 ( 0.037 5.213 -0.078) 5.214 29.619 ( -11.341 -0.357 0.478) 11.357 41.054 ( -3.152 0.876 0.069) 3.272 ======================= Grid point 57 (57/266) ======================= q-point: ( 0.04 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 0.000 29.432 0.000) 29.432 0.770 ( 0.000 36.970 0.000) 36.970 1.232 ( 0.000 58.633 0.000) 58.633 2.965 ( -0.000 -1.121 -0.000) 1.121 3.075 ( 0.000 1.232 0.000) 1.232 4.907 ( 0.000 11.574 0.000) 11.574 6.000 ( 0.000 6.384 0.000) 6.384 6.710 ( -0.000 -5.464 -0.000) 5.464 6.851 ( 0.000 4.028 0.000) 4.028 7.531 ( -0.000 -22.124 -0.000) 22.124 8.551 ( 0.000 24.142 0.000) 24.142 9.008 ( 0.000 6.565 0.000) 6.565 9.923 ( 0.000 9.485 0.000) 9.485 11.647 ( 0.000 5.036 0.000) 5.036 11.763 ( 0.000 6.576 0.000) 6.576 12.810 ( 0.000 6.134 0.000) 6.134 13.908 ( -0.000 -1.563 -0.000) 1.563 21.506 ( -0.000 -7.951 -0.000) 7.951 24.171 ( -0.000 -11.687 -0.000) 11.687 30.247 ( 0.000 1.028 0.000) 1.028 41.014 ( 0.000 0.984 0.000) 0.984 ======================= Grid point 58 (58/266) ======================= q-point: ( 0.04 -0.54 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 377 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( 0.000 7.266 0.000) 7.266 2.760 ( 0.000 8.241 -0.000) 8.241 3.585 ( 0.000 -0.080 -0.000) 0.080 3.642 ( 0.000 2.731 0.000) 2.731 4.960 ( 0.000 -1.209 0.000) 1.209 5.834 ( 0.000 -3.563 0.000) 3.563 6.864 ( 0.000 -1.183 -0.000) 1.183 7.222 ( 0.000 -10.668 0.000) 10.668 7.793 ( 0.000 -23.068 -0.000) 23.068 8.579 ( 0.000 6.658 -0.000) 6.658 8.587 ( -0.000 10.071 0.000) 10.071 9.002 ( 0.000 3.391 0.000) 3.391 11.076 ( 0.000 -6.075 -0.000) 6.075 11.627 ( 0.000 17.730 -0.000) 17.730 11.702 ( 0.000 -8.430 0.000) 8.430 13.502 ( 0.000 -10.846 0.000) 10.846 17.390 ( 0.000 -9.113 0.000) 9.113 20.770 ( 0.000 -6.403 0.000) 6.403 23.156 ( 0.000 -8.704 0.000) 8.704 28.643 ( 0.000 5.788 0.000) 5.788 41.303 ( 0.000 -2.269 0.000) 2.269 ======================= Grid point 60 (59/266) ======================= q-point: (-0.42 0.17 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( 3.270 -4.148 -9.954) 11.268 3.388 ( 9.936 -10.869 14.808) 20.884 3.532 ( 21.193 -4.646 0.805) 21.711 3.631 ( 15.494 -0.746 1.850) 15.622 4.481 ( -8.133 -8.301 -15.778) 19.596 5.410 ( -12.031 4.888 5.929) 14.275 5.652 ( -6.572 -5.767 19.421) 21.298 6.429 ( -7.113 -1.751 -18.734) 20.116 6.963 ( -1.480 -0.737 6.222) 6.438 7.885 ( 11.732 -5.450 2.729) 13.221 8.937 ( -20.348 -1.559 0.343) 20.411 9.876 ( -2.568 12.280 -22.296) 25.583 10.150 ( 0.653 -14.145 16.622) 21.836 12.090 ( -7.193 4.798 -8.227) 11.935 13.089 ( -27.068 -5.648 3.324) 27.850 14.537 ( -6.056 -36.398 -1.162) 36.917 14.950 ( 28.272 3.764 -0.605) 28.528 19.559 ( -2.046 24.510 -0.100) 24.595 22.119 ( -2.503 17.500 -0.842) 17.698 29.818 ( -12.254 -3.899 2.134) 13.036 41.132 ( -1.753 1.298 0.228) 2.193 ======================= Grid point 61 (60/266) ======================= q-point: (-0.42 -0.33 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( -12.151 -9.924 7.499) 17.389 3.672 ( 1.447 -4.136 -15.963) 16.553 3.809 ( -10.438 -1.357 -0.518) 10.539 4.048 ( -10.794 -6.304 -1.260) 12.563 4.523 ( 6.377 6.088 10.254) 13.523 4.934 ( -1.206 -9.451 9.914) 13.750 5.090 ( 1.608 0.794 -1.737) 2.496 6.638 ( 0.015 -4.529 1.037) 4.646 7.072 ( 12.536 15.272 -14.260) 24.366 8.174 ( -9.542 -2.263 -3.846) 10.534 8.465 ( 6.875 -0.989 6.223) 9.326 9.282 ( 6.050 -4.570 17.340) 18.926 10.962 ( 3.143 13.567 -29.756) 32.854 12.014 ( 5.499 9.738 15.785) 19.345 12.322 ( 36.952 -6.305 -3.610) 37.660 14.416 ( 9.481 -31.475 -0.958) 32.886 15.571 ( -29.850 5.226 -0.083) 30.304 19.528 ( 1.449 21.503 -0.066) 21.552 22.099 ( 2.823 16.477 -0.587) 16.728 29.507 ( 9.700 -5.947 1.410) 11.465 41.076 ( 2.518 1.839 0.193) 3.124 ======================= Grid point 62 (61/266) ======================= q-point: ( 0.11 0.39 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 730 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( 3.589 11.572 -1.279) 12.183 2.991 ( -0.345 12.011 3.118) 12.414 3.485 ( 9.200 2.212 -1.667) 9.608 3.717 ( 1.023 5.894 1.074) 6.078 4.993 ( -6.117 -2.895 -5.056) 8.448 5.613 ( 11.376 -6.066 3.435) 13.342 6.725 ( 12.698 -14.175 -7.253) 20.365 6.796 ( 7.503 -10.662 9.928) 16.387 7.324 ( -2.966 -20.938 0.254) 21.148 8.509 ( 13.066 8.434 -4.872) 16.297 8.808 ( -0.636 -0.906 1.268) 1.683 9.109 ( 0.191 8.601 3.548) 9.306 11.023 ( -4.740 -4.455 11.991) 13.642 11.474 ( -4.734 -15.023 -14.385) 21.331 12.066 ( 1.448 26.304 1.990) 26.419 13.206 ( -0.886 -17.126 1.322) 17.200 17.049 ( 10.527 -12.984 -0.427) 16.721 20.585 ( -0.955 -12.003 -0.032) 12.041 22.969 ( -6.069 -15.453 2.853) 16.845 28.803 ( -0.688 9.213 -0.585) 9.257 41.244 ( -0.567 -3.846 -0.278) 3.897 ======================= Grid point 63 (62/266) ======================= q-point: ( 0.11 -0.11 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -27.425 21.153 0.000) 34.635 1.613 ( -9.928 31.431 0.000) 32.962 2.528 ( -14.268 45.808 0.000) 47.979 2.950 ( -1.071 -1.817 -0.000) 2.109 3.167 ( -5.684 2.873 -0.000) 6.368 5.262 ( -2.835 11.788 0.000) 12.124 6.167 ( 0.076 9.778 0.000) 9.778 6.487 ( 6.593 -8.622 -0.000) 10.854 7.009 ( -3.316 -0.159 -0.000) 3.320 7.192 ( -8.344 -11.645 -0.000) 14.325 8.853 ( 22.401 23.143 0.000) 32.209 9.066 ( -2.413 22.906 0.000) 23.033 10.226 ( -8.033 0.171 -0.000) 8.034 11.875 ( -0.926 18.303 0.000) 18.327 12.077 ( -8.299 9.194 0.000) 12.386 12.972 ( 2.507 10.933 0.000) 11.217 14.409 ( -43.119 -20.498 -0.000) 47.743 21.155 ( 9.041 -11.927 -0.000) 14.966 23.769 ( 5.498 -20.866 -0.000) 21.578 29.931 ( 27.204 16.089 0.000) 31.606 41.130 ( -6.580 -1.761 -0.000) 6.811 ======================= Grid point 64 (63/266) ======================= q-point: (-0.35 -0.40 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.028 ( -13.891 -10.579 5.213) 18.223 3.526 ( 1.446 -6.554 -9.751) 11.838 3.716 ( 3.769 -10.579 1.877) 11.386 4.048 ( -4.793 -5.207 -7.195) 10.092 4.651 ( -0.625 6.284 12.333) 13.856 5.169 ( -15.848 14.321 6.816) 22.421 5.251 ( -8.452 8.894 -3.939) 12.886 6.628 ( -4.078 -0.389 0.353) 4.112 7.059 ( 15.089 12.431 -13.077) 23.521 8.416 ( -9.235 -0.039 0.955) 9.284 8.507 ( -10.571 5.286 1.178) 11.878 9.119 ( 4.413 0.473 14.867) 15.516 11.140 ( 11.369 14.581 -23.273) 29.724 11.477 ( 27.637 -4.841 -3.760) 28.308 12.240 ( -1.883 12.358 14.982) 19.512 13.579 ( 6.834 -31.895 -2.647) 32.726 16.250 ( -22.857 7.943 0.065) 24.197 19.930 ( 2.395 20.789 0.002) 20.927 22.386 ( 5.937 19.455 -1.256) 20.380 29.208 ( 5.687 -7.519 1.246) 9.509 41.089 ( 1.782 3.667 0.235) 4.084 ======================= Grid point 65 (64/266) ======================= q-point: (-0.35 0.10 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( 20.202 -11.625 -2.089) 23.402 2.870 ( 11.125 -7.474 -11.368) 17.574 2.960 ( 7.999 -13.121 14.354) 21.028 3.374 ( 11.692 -0.713 4.191) 12.441 4.302 ( -2.520 -20.955 -15.700) 26.305 5.636 ( -15.049 -12.209 10.710) 22.141 5.803 ( -7.423 8.381 14.630) 18.422 6.439 ( 1.355 -2.081 -13.298) 13.528 6.853 ( 3.069 -7.482 10.140) 12.970 7.509 ( 13.533 -5.364 3.071) 14.878 9.209 ( -18.502 -11.413 0.740) 21.751 9.808 ( 2.113 -15.521 12.199) 19.853 10.194 ( -1.281 13.868 -24.133) 27.863 12.221 ( 1.545 2.158 -7.321) 7.787 13.287 ( -14.728 -19.228 4.137) 24.571 13.777 ( -4.107 -41.439 -6.010) 42.073 14.512 ( 27.558 8.309 -1.273) 28.811 20.176 ( -4.677 26.538 0.330) 26.949 22.672 ( -5.430 27.483 -4.297) 28.343 29.948 ( -12.516 -7.714 5.360) 15.649 41.162 ( 0.853 0.486 0.410) 1.064 ======================= Grid point 66 (65/266) ======================= q-point: ( 0.19 -0.19 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( -8.808 21.026 0.000) 22.797 2.505 ( -29.275 16.662 -0.000) 33.685 2.996 ( -3.996 3.974 0.000) 5.636 3.390 ( -9.959 2.306 -0.000) 10.222 3.549 ( -9.261 28.595 0.000) 30.058 5.468 ( 5.788 11.215 0.000) 12.620 6.134 ( 10.012 -8.270 -0.000) 12.986 6.343 ( -2.713 2.068 0.000) 3.411 6.914 ( -1.748 -2.942 -0.000) 3.422 7.445 ( -14.456 3.092 -0.000) 14.783 8.919 ( 14.554 16.216 0.000) 21.790 9.565 ( -2.661 19.958 0.000) 20.135 10.190 ( -1.780 -11.533 -0.000) 11.670 12.175 ( -8.070 -1.595 -0.000) 8.226 12.712 ( 0.675 43.705 0.000) 43.710 13.099 ( 8.972 11.167 0.000) 14.325 14.764 ( -32.631 -17.049 -0.000) 36.816 20.666 ( 7.168 -19.628 -0.000) 20.896 23.151 ( 7.442 -24.769 -0.000) 25.862 29.805 ( 17.353 13.407 0.000) 21.929 41.189 ( -2.776 -1.713 -0.000) 3.261 ======================= Grid point 67 (66/266) ======================= q-point: ( 0.19 0.31 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( 8.901 11.058 -7.002) 15.828 3.180 ( 4.140 7.828 9.808) 13.215 3.469 ( 3.199 12.498 1.742) 13.018 3.837 ( 2.278 7.553 -0.767) 7.927 5.005 ( 1.651 -6.029 -11.142) 12.776 5.212 ( 10.079 -4.732 8.917) 14.265 5.812 ( 19.047 -26.899 -5.856) 33.476 6.634 ( 6.057 0.716 -0.007) 6.099 7.073 ( -4.652 -12.361 6.951) 14.925 8.388 ( 14.464 5.591 -2.231) 15.667 8.641 ( 4.700 -6.232 0.007) 7.805 9.300 ( -1.393 7.957 -7.130) 10.775 10.903 ( -2.452 -14.995 32.481) 35.859 11.554 ( -21.924 -1.503 -19.871) 29.628 12.555 ( 4.784 15.983 -6.271) 17.823 12.993 ( -6.521 1.588 7.872) 10.345 16.460 ( 21.232 -12.277 -0.326) 24.528 20.326 ( -2.933 -17.034 -0.092) 17.285 22.755 ( -8.643 -20.160 3.761) 22.254 29.057 ( -4.489 10.396 -1.859) 11.475 41.178 ( -1.208 -4.071 -0.500) 4.275 ======================= Grid point 69 (67/266) ======================= q-point: (-0.28 -0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( -7.615 -11.749 1.673) 14.101 3.304 ( 2.269 -12.174 -2.280) 12.592 3.456 ( 0.269 -7.553 5.455) 9.321 4.039 ( -4.228 -3.431 -15.058) 16.012 4.734 ( 1.326 3.076 13.162) 13.582 5.564 ( -6.402 9.210 -5.093) 12.319 6.113 ( -20.058 28.240 5.749) 35.113 6.774 ( -5.686 5.351 -3.440) 8.533 7.041 ( 12.868 13.925 -6.547) 20.059 8.534 ( -7.608 -2.431 3.873) 8.877 8.815 ( -4.442 1.230 -1.457) 4.834 9.216 ( -6.863 5.638 1.849) 9.073 10.661 ( 25.902 -2.243 19.419) 32.450 11.525 ( -0.997 15.283 -30.629) 34.244 12.478 ( -4.756 -3.826 11.884) 13.360 12.947 ( 6.768 -7.896 -1.857) 10.564 16.797 ( -11.909 10.607 0.135) 15.949 20.281 ( 1.406 17.176 0.015) 17.234 22.653 ( 6.105 18.486 -1.263) 19.509 28.974 ( 1.449 -8.310 0.589) 8.456 41.151 ( 0.707 4.563 0.152) 4.620 ======================= Grid point 70 (68/266) ======================= q-point: ( 0.26 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 730 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( 11.346 11.679 -13.661) 21.254 3.238 ( 2.851 6.402 15.682) 17.177 3.717 ( 6.383 11.807 0.998) 13.459 3.862 ( 7.415 4.926 1.612) 9.047 4.662 ( 10.717 -2.264 5.162) 12.109 5.111 ( 1.903 -3.905 -6.988) 8.228 5.219 ( -2.818 -6.624 -12.954) 14.820 6.589 ( 2.210 3.264 -0.511) 3.975 6.968 ( -3.475 -6.447 11.839) 13.921 8.124 ( 15.083 0.181 1.351) 15.144 8.574 ( -6.639 -0.332 -4.344) 7.941 9.508 ( -1.895 9.319 -17.522) 19.936 10.644 ( -3.723 -15.114 31.272) 34.932 12.108 ( -24.467 1.804 2.757) 24.688 12.479 ( -5.390 -5.605 -10.529) 13.089 13.648 ( -6.932 36.164 4.546) 37.102 15.720 ( 28.957 -9.476 -0.030) 30.468 19.991 ( -3.661 -22.253 -0.042) 22.553 22.477 ( -6.903 -22.208 2.864) 23.431 29.400 ( -9.147 8.985 -3.035) 13.176 41.133 ( -1.602 -2.912 -0.515) 3.363 ======================= Grid point 71 (69/266) ======================= q-point: ( 0.26 -0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( -4.219 7.482 0.000) 8.590 3.343 ( -9.233 13.479 0.000) 16.338 3.350 ( -22.330 13.019 -0.000) 25.848 3.636 ( -10.740 0.993 -0.000) 10.786 4.069 ( -4.063 10.360 0.000) 11.128 5.482 ( 11.409 5.123 0.000) 12.506 5.812 ( 10.707 0.903 0.000) 10.745 6.304 ( -3.454 -11.307 -0.000) 11.822 6.992 ( -0.478 4.698 0.000) 4.722 7.799 ( -13.434 3.279 -0.000) 13.829 8.862 ( 14.424 6.133 0.000) 15.674 9.909 ( 1.843 -14.332 -0.000) 14.450 9.984 ( -0.477 17.838 0.000) 17.845 12.133 ( 2.353 -8.527 -0.000) 8.846 13.016 ( 17.346 5.742 0.000) 18.271 13.625 ( 4.510 46.562 0.000) 46.780 15.107 ( -30.864 -10.852 -0.000) 32.717 20.080 ( 4.793 -24.582 -0.000) 25.045 22.519 ( 5.689 -22.102 -0.000) 22.823 29.725 ( 13.392 8.258 0.000) 15.733 41.171 ( 0.523 -2.178 -0.000) 2.240 ======================= Grid point 72 (70/266) ======================= q-point: (-0.20 0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( -0.832 -11.167 0.039) 11.198 2.983 ( 2.857 -12.964 0.136) 13.276 3.378 ( -1.674 -3.996 9.444) 10.390 4.040 ( 1.149 -1.571 -19.998) 20.093 4.792 ( -4.277 1.636 12.421) 13.239 5.797 ( 2.470 8.113 -5.454) 10.083 6.686 ( -2.147 5.282 7.689) 9.572 7.047 ( 8.043 12.271 -5.015) 15.505 7.292 ( -3.315 26.127 -2.769) 26.482 8.648 ( -9.401 -3.117 2.114) 10.128 8.788 ( 5.648 -1.745 -0.140) 5.913 9.256 ( 4.852 -7.423 -15.919) 18.223 10.406 ( 2.000 6.582 36.694) 37.333 11.783 ( -4.135 -3.020 -13.501) 14.439 12.214 ( 0.326 -9.047 -15.623) 18.056 13.099 ( 1.437 18.121 9.396) 20.462 17.157 ( -0.335 12.285 0.048) 12.290 20.575 ( -0.019 12.394 -0.001) 12.394 22.908 ( 2.427 14.801 -0.015) 14.998 28.796 ( -0.488 -8.435 0.001) 8.449 41.237 ( -0.224 4.000 -0.005) 4.007 ======================= Grid point 73 (71/266) ======================= q-point: (-0.20 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -0.000 -20.815 -12.520) 24.291 1.561 ( -0.000 -31.696 -6.643) 32.384 2.644 ( -0.000 -37.461 -22.367) 43.630 2.900 ( -0.000 1.878 3.247) 3.751 3.142 ( -0.000 -9.750 -3.616) 10.399 5.271 ( -0.000 -20.032 -3.094) 20.270 5.826 ( -0.000 -12.660 26.422) 29.299 6.506 ( -0.000 6.486 8.693) 10.846 6.877 ( -0.000 -7.433 8.551) 11.330 6.883 ( 0.000 17.280 11.597) 20.811 8.707 ( -0.000 -28.357 22.713) 36.332 9.242 ( -0.000 -11.287 -3.956) 11.961 10.466 ( 0.000 -8.888 -21.255) 23.038 11.825 ( -0.000 -13.232 2.505) 13.467 12.364 ( 0.000 -15.321 -19.391) 24.713 13.370 ( 0.000 14.289 -38.550) 41.113 13.862 ( 0.000 2.927 -0.021) 2.927 21.142 ( -0.000 9.339 9.140) 13.067 24.184 ( 0.000 36.245 -30.239) 47.203 29.974 ( -0.000 -12.629 26.209) 29.093 41.042 ( -0.000 -1.741 0.109) 1.745 ======================= Grid point 74 (72/266) ======================= q-point: ( 0.34 -0.34 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( -5.894 5.125 0.000) 7.811 3.751 ( -2.380 11.702 0.000) 11.942 3.822 ( 2.417 10.539 0.000) 10.813 3.881 ( -14.267 -0.491 -0.000) 14.276 4.305 ( -16.965 -3.316 -0.000) 17.286 5.205 ( 12.827 -4.121 0.000) 13.472 5.807 ( 10.242 16.217 0.000) 19.180 6.015 ( 1.911 -19.095 -0.000) 19.190 7.013 ( 0.859 -3.032 -0.000) 3.151 8.108 ( -8.726 4.653 -0.000) 9.889 8.602 ( 13.812 -2.423 0.000) 14.023 9.552 ( 5.127 -13.492 -0.000) 14.433 10.330 ( 2.752 18.294 0.000) 18.500 11.764 ( 12.873 -10.045 -0.000) 16.328 12.636 ( 22.050 -2.859 0.000) 22.235 14.345 ( 9.246 35.188 0.000) 36.382 15.568 ( -30.336 -5.297 -0.000) 30.795 19.524 ( 1.339 -21.600 -0.000) 21.641 22.063 ( 2.174 -13.797 -0.000) 13.967 29.591 ( 11.575 3.413 0.000) 12.068 41.088 ( 2.645 -2.267 -0.000) 3.483 ======================= Grid point 75 (73/266) ======================= q-point: ( 0.34 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( 8.199 11.978 -15.639) 21.337 3.314 ( 3.744 5.630 15.003) 16.456 3.522 ( 17.016 -0.219 0.002) 17.017 3.660 ( 20.677 0.975 3.555) 21.003 4.728 ( -7.508 6.436 7.065) 12.153 5.255 ( -8.497 -4.238 -8.556) 12.782 5.299 ( -10.050 11.929 -16.044) 22.377 6.677 ( -2.582 4.626 1.843) 5.609 6.950 ( -4.218 -2.025 10.584) 11.572 7.861 ( 14.366 2.928 1.057) 14.699 8.893 ( -20.653 3.456 -5.006) 21.531 9.745 ( -1.135 9.934 -20.924) 23.190 10.424 ( -2.350 -12.769 29.760) 32.469 12.214 ( -4.270 -5.496 2.198) 7.299 13.036 ( -32.162 7.636 -0.887) 33.068 14.557 ( -3.729 33.085 0.643) 33.300 14.968 ( 25.647 -2.372 1.181) 25.783 19.562 ( -2.091 -24.401 0.148) 24.491 22.140 ( -2.853 -19.179 1.176) 19.426 29.765 ( -11.253 5.619 -3.006) 12.932 41.126 ( -1.760 -1.084 -0.311) 2.091 ======================= Grid point 76 (74/266) ======================= q-point: (-0.13 -0.12 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -15.467 -19.770 -15.449) 29.474 1.252 ( -24.572 -18.574 -17.784) 35.568 2.045 ( -27.123 -30.510 -35.466) 54.078 2.973 ( -1.681 2.066 2.528) 3.672 3.083 ( -4.550 -3.446 2.688) 6.309 5.143 ( -15.836 -0.586 9.783) 18.623 5.697 ( -4.499 -0.791 11.523) 12.396 6.568 ( 5.424 3.731 8.555) 10.795 6.749 ( -2.943 -7.634 12.443) 14.892 7.369 ( -12.951 14.481 10.560) 22.112 8.108 ( -1.504 -25.340 13.213) 28.618 8.873 ( 11.837 -12.802 -15.555) 23.366 10.256 ( -6.179 -12.639 -8.617) 16.498 11.687 ( 0.445 -2.598 -3.847) 4.663 12.050 ( -2.535 -10.487 1.353) 10.874 13.291 ( 18.819 7.498 -30.726) 36.803 15.278 ( -50.108 57.280 -7.195) 76.444 21.035 ( 7.336 -12.267 10.925) 17.990 24.782 ( 24.686 37.401 -47.417) 65.243 29.091 ( 25.319 -43.252 18.967) 53.587 41.156 ( -9.027 3.378 4.836) 10.783 ======================= Grid point 77 (75/266) ======================= q-point: (-0.13 0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 5.539 -8.831 -0.627) 10.443 2.742 ( -1.689 -6.032 2.054) 6.592 3.269 ( 7.155 -2.654 9.654) 12.306 3.901 ( 8.087 -1.688 -17.579) 19.424 4.998 ( -11.890 1.395 7.654) 14.209 5.756 ( 14.486 4.225 -6.128) 16.286 6.680 ( 6.403 0.203 8.579) 10.707 7.088 ( 11.471 10.939 0.997) 15.882 7.772 ( 4.281 19.384 -1.319) 19.895 8.503 ( 13.090 -5.359 -10.273) 17.482 8.686 ( -4.769 -11.989 -0.008) 12.903 8.993 ( 6.514 -0.134 -3.282) 7.295 10.657 ( -8.480 7.378 30.710) 32.702 11.504 ( 3.688 -15.979 2.482) 16.586 12.259 ( -1.993 3.499 -29.735) 30.006 13.404 ( 1.083 11.466 8.472) 14.298 17.311 ( 8.127 10.132 -0.616) 13.003 20.771 ( -0.091 5.975 -0.011) 5.976 23.161 ( -3.626 8.459 2.680) 9.585 28.639 ( 0.512 -6.623 -0.147) 6.645 41.313 ( -0.666 2.211 -0.236) 2.321 ======================= Grid point 78 (76/266) ======================= q-point: ( 0.41 0.09 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 730 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.025 ( 14.175 3.823 -4.451) 15.341 3.036 ( 23.128 3.119 0.293) 23.339 3.232 ( 9.876 -1.654 -5.228) 11.296 3.457 ( -0.520 1.558 10.508) 10.635 4.952 ( -2.542 2.956 0.612) 3.946 5.322 ( -5.820 -2.034 -3.249) 6.969 5.818 ( -19.097 5.337 -5.077) 20.468 6.840 ( -3.983 3.118 0.270) 5.065 7.064 ( -6.156 1.396 4.184) 7.573 7.614 ( 16.396 1.889 0.190) 16.505 9.463 ( -25.453 3.739 -4.327) 26.087 9.923 ( 0.421 5.157 -13.665) 14.612 10.224 ( -0.326 -7.571 18.972) 20.429 12.239 ( -3.824 -1.025 1.067) 4.100 13.797 ( -27.306 4.431 1.206) 27.690 14.207 ( 26.612 -1.663 -0.176) 26.665 15.460 ( -11.320 18.321 0.594) 21.545 19.152 ( 0.298 -13.677 0.172) 13.682 21.866 ( -0.030 -8.344 0.135) 8.345 30.058 ( -9.655 1.799 -1.353) 9.913 41.152 ( -1.516 0.028 -0.080) 1.518 ======================= Grid point 79 (77/266) ======================= q-point: ( 0.41 -0.41 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.211 ( -7.894 2.881 -0.000) 8.403 3.812 ( 8.950 4.165 0.000) 9.872 3.911 ( 3.389 5.940 0.000) 6.839 4.152 ( -11.874 -1.271 -0.000) 11.942 4.550 ( -12.602 -6.532 -0.000) 14.194 4.928 ( 8.519 1.522 0.000) 8.654 5.479 ( 6.182 -21.039 -0.000) 21.928 5.978 ( 9.392 18.184 0.000) 20.466 6.875 ( 0.667 -6.965 -0.000) 6.997 8.295 ( 7.711 -3.239 0.000) 8.364 8.332 ( -3.694 4.802 0.000) 6.058 9.143 ( 10.118 -10.880 -0.000) 14.858 10.618 ( 7.467 18.559 0.000) 20.004 11.323 ( 13.016 -4.698 0.000) 13.838 12.091 ( 16.977 -8.646 0.000) 19.052 14.650 ( 10.076 13.095 0.000) 16.523 16.064 ( -24.251 -1.460 -0.000) 24.295 19.204 ( -1.137 -8.308 -0.000) 8.385 21.865 ( -0.069 -4.008 -0.000) 4.008 29.415 ( 8.909 0.183 0.000) 8.911 40.991 ( 2.977 -1.125 0.000) 3.183 ======================= Grid point 80 (78/266) ======================= q-point: (-0.05 0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 10.387 0.000 2.445) 10.671 2.754 ( -4.004 -0.000 0.085) 4.005 2.967 ( 18.763 0.000 9.307) 20.944 3.703 ( 8.721 -0.000 -14.315) 16.763 5.199 ( 6.368 0.000 9.007) 11.031 5.459 ( 7.191 -0.000 -9.902) 12.238 6.489 ( 11.104 0.000 7.672) 13.496 6.969 ( 13.879 0.000 3.985) 14.440 7.775 ( 15.426 -0.000 -5.495) 16.376 8.370 ( 4.533 0.000 -0.069) 4.533 8.383 ( 4.534 -0.000 -6.685) 8.078 8.884 ( 8.373 0.000 0.830) 8.414 10.979 ( -11.982 0.000 26.298) 28.899 11.137 ( 11.382 0.000 1.819) 11.527 12.328 ( -1.356 -0.000 -29.251) 29.283 13.471 ( 4.196 0.000 8.473) 9.455 17.225 ( 11.754 0.000 -2.237) 11.965 20.820 ( 0.723 0.000 -0.004) 0.723 23.391 ( -10.061 0.000 6.539) 11.999 28.530 ( 2.282 0.000 -0.018) 2.282 41.350 ( -0.698 -0.000 -0.666) 0.965 ======================= Grid point 81 (79/266) ======================= q-point: (-0.05 -0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -21.162 -0.000 -16.442) 26.798 1.439 ( -25.677 -0.000 -18.028) 31.374 2.664 ( -48.966 -0.000 -19.350) 52.651 2.977 ( 2.641 0.000 2.530) 3.657 3.210 ( -11.604 0.000 2.617) 11.895 5.488 ( -13.138 0.000 30.954) 33.627 5.997 ( -13.724 -0.000 -5.020) 14.613 6.414 ( 10.683 0.000 0.089) 10.684 6.773 ( -12.389 0.000 18.103) 21.936 7.938 ( -20.075 -0.000 -2.192) 20.194 7.943 ( -6.941 0.000 12.084) 13.935 8.452 ( 7.816 -0.000 -22.056) 23.400 10.304 ( -11.963 -0.000 -4.459) 12.767 11.589 ( 6.714 -0.000 -13.911) 15.447 12.121 ( -10.813 0.000 21.570) 24.128 13.145 ( 2.864 -0.000 -23.337) 23.512 16.561 ( -10.964 0.000 16.919) 20.161 20.768 ( -0.713 -0.000 0.039) 0.714 24.509 ( 29.965 -0.000 -37.663) 48.129 28.375 ( -2.042 -0.000 -0.022) 2.042 41.326 ( -2.883 0.000 5.982) 6.640 ======================= Grid point 82 (80/266) ======================= q-point: ( 0.48 -0.48 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.407 ( -7.300 0.400 -0.000) 7.311 3.711 ( 5.414 0.606 0.000) 5.448 3.844 ( 6.055 -2.387 0.000) 6.508 4.300 ( -5.956 0.003 -0.000) 5.956 4.527 ( -3.647 -6.701 -0.000) 7.629 4.957 ( 3.306 8.906 0.000) 9.499 5.142 ( -2.947 -4.557 -0.000) 5.427 6.123 ( 10.787 14.893 0.000) 18.389 6.772 ( -2.403 -3.561 -0.000) 4.296 8.264 ( -1.108 7.316 0.000) 7.399 8.460 ( 0.029 4.391 0.000) 4.391 8.770 ( 8.291 -3.916 0.000) 9.170 10.661 ( 16.377 5.604 0.000) 17.309 11.107 ( 6.403 3.240 0.000) 7.176 11.775 ( 1.559 0.076 0.000) 1.561 14.501 ( 5.828 -10.620 -0.000) 12.114 16.448 ( -13.249 1.258 -0.000) 13.308 19.224 ( -0.677 7.498 0.000) 7.528 21.869 ( 0.029 3.659 0.000) 3.659 29.263 ( 4.433 -1.425 0.000) 4.657 40.939 ( 1.746 1.014 0.000) 2.019 ======================= Grid point 86 (81/266) ======================= q-point: (-0.44 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -0.000 -6.043 -4.740) 7.680 2.688 ( -0.000 2.186 2.827) 3.573 2.920 ( -0.000 -14.012 23.951) 27.748 3.399 ( 0.000 -5.299 -24.869) 25.428 4.862 ( -0.000 -8.157 -1.386) 8.274 5.529 ( -0.000 4.831 9.371) 10.543 6.351 ( -0.000 -12.030 24.251) 27.071 6.687 ( -0.000 -16.713 -4.555) 17.323 6.845 ( 0.000 -6.454 -22.824) 23.719 7.168 ( -0.000 -3.636 6.770) 7.685 9.586 ( -0.000 -14.620 27.016) 30.718 10.069 ( -0.000 -9.073 -1.609) 9.215 10.438 ( 0.000 14.624 -24.943) 28.914 12.320 ( 0.000 2.092 -6.187) 6.531 13.632 ( 0.000 3.184 -0.022) 3.184 14.151 ( -0.000 -17.976 -4.905) 18.633 14.997 ( -0.000 -43.022 -2.558) 43.098 19.663 ( 0.000 30.041 -0.233) 30.042 22.253 ( 0.000 26.899 -2.126) 26.983 30.203 ( -0.000 -5.102 5.750) 7.687 41.159 ( -0.000 -1.440 0.108) 1.444 ======================= Grid point 87 (82/266) ======================= q-point: (-0.44 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.414 ( 4.261 -4.647 -0.000) 6.305 3.612 ( 2.138 -3.367 -0.000) 3.988 3.704 ( -2.093 -5.448 -0.000) 5.836 4.389 ( 0.662 0.471 0.000) 0.812 4.542 ( -7.749 -2.258 -0.000) 8.071 5.082 ( 6.122 12.251 0.000) 13.695 5.459 ( -14.805 17.203 0.000) 22.696 6.136 ( 15.446 12.122 0.000) 19.635 6.833 ( -5.576 0.692 -0.000) 5.618 8.429 ( 7.367 10.384 0.000) 12.732 8.527 ( 2.912 5.336 0.000) 6.079 8.896 ( -13.806 12.495 0.000) 18.621 10.264 ( 13.871 -10.000 -0.000) 17.100 11.204 ( -0.827 12.032 0.000) 12.060 11.960 ( -4.735 10.273 0.000) 11.312 14.036 ( 0.877 -26.822 -0.000) 26.836 16.635 ( -0.018 3.799 0.000) 3.799 19.494 ( 0.020 17.082 0.000) 17.082 22.000 ( 0.352 9.460 0.000) 9.466 29.183 ( -0.697 -2.790 -0.000) 2.876 40.967 ( -0.129 3.179 0.000) 3.181 ======================= Grid point 88 (83/266) ======================= q-point: ( 0.09 0.16 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 18.265 17.903 -1.160) 25.602 2.540 ( 13.096 21.665 11.112) 27.647 2.894 ( 3.397 2.152 -4.136) 5.769 3.516 ( 9.151 5.755 -2.340) 11.061 3.884 ( 33.875 6.611 13.498) 37.060 5.526 ( 8.493 -11.601 -7.239) 16.097 5.887 ( -0.661 -5.845 -10.642) 12.159 6.291 ( 1.617 4.930 1.379) 5.369 7.090 ( 7.771 -8.301 -4.551) 12.248 7.728 ( 16.462 0.057 -6.581) 17.729 8.508 ( 0.627 9.406 4.562) 10.473 9.137 ( 1.290 18.924 -3.104) 19.220 10.649 ( 2.665 -5.744 18.238) 19.306 11.874 ( 0.558 27.824 2.341) 27.928 12.381 ( 0.149 2.397 -13.920) 14.126 13.018 ( 0.633 -4.809 13.811) 14.638 15.860 ( 26.500 -26.763 -1.558) 37.696 20.776 ( -5.941 -7.266 -1.256) 9.470 23.532 ( -14.468 -20.766 12.520) 28.237 29.064 ( -9.515 21.001 -3.945) 23.391 41.275 ( 1.404 -3.050 -1.587) 3.714 ======================= Grid point 89 (84/266) ======================= q-point: ( 0.09 -0.34 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( -13.379 17.017 2.143) 21.753 2.736 ( -7.165 8.308 -10.184) 14.970 2.996 ( -7.369 10.913 1.681) 13.275 3.683 ( -7.351 5.728 5.699) 10.924 4.577 ( -32.962 -1.698 -8.408) 34.059 5.508 ( 9.415 -5.974 8.452) 13.991 6.038 ( -15.396 -20.743 1.465) 25.874 6.397 ( -7.643 5.623 -2.039) 9.705 7.233 ( -6.033 -12.149 0.776) 13.586 8.057 ( -15.838 4.911 10.858) 19.821 8.581 ( -6.320 0.088 -7.153) 9.546 9.139 ( 1.413 17.649 2.889) 17.940 10.666 ( 1.258 -10.493 -20.704) 23.246 11.895 ( -1.321 30.277 -2.422) 30.403 12.327 ( 4.572 -1.464 22.438) 22.946 13.055 ( -2.032 -11.529 -12.848) 17.382 16.353 ( -22.560 -20.842 1.369) 30.744 20.678 ( 3.842 -9.120 0.392) 9.904 23.256 ( 12.403 -17.465 -7.690) 22.759 28.922 ( 4.935 16.140 1.916) 16.986 41.284 ( 0.326 -3.246 0.963) 3.401 ======================= Grid point 90 (85/266) ======================= q-point: (-0.37 0.37 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( 7.586 -6.950 -0.000) 10.288 3.461 ( -0.035 -9.852 -0.000) 9.852 3.617 ( -0.942 -7.781 -0.000) 7.837 4.267 ( 7.227 -3.234 0.000) 7.917 4.740 ( -10.950 2.040 -0.000) 11.139 5.192 ( 10.014 13.168 0.000) 16.543 6.029 ( 19.635 13.706 0.000) 23.945 6.194 ( -10.422 21.221 0.000) 23.643 6.964 ( -4.147 1.341 -0.000) 4.359 8.508 ( 3.402 7.841 0.000) 8.547 8.571 ( 7.046 8.501 0.000) 11.042 9.522 ( -12.951 16.915 0.000) 21.304 9.798 ( 4.196 -16.332 -0.000) 16.862 11.648 ( -7.847 21.819 0.000) 23.187 12.280 ( -5.911 9.230 0.000) 10.960 13.396 ( -0.758 -34.754 -0.000) 34.762 16.615 ( 12.514 7.178 0.000) 14.427 19.894 ( -1.162 19.965 0.000) 19.999 22.255 ( -1.610 14.485 0.000) 14.575 29.157 ( -4.520 -5.631 -0.000) 7.221 41.065 ( -1.507 4.392 0.000) 4.644 ======================= Grid point 91 (86/266) ======================= q-point: (-0.37 -0.13 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -14.899 -10.914 -1.351) 18.519 2.551 ( -4.249 -13.467 13.837) 19.771 2.917 ( -13.576 -1.896 2.323) 13.903 3.279 ( -1.004 -6.055 -20.561) 21.458 4.587 ( 0.442 -18.329 -9.540) 20.668 5.555 ( 5.244 -0.835 20.076) 20.766 5.818 ( 18.672 -9.096 12.513) 24.247 6.428 ( -5.153 -15.514 8.603) 18.473 6.799 ( -6.395 -6.319 -21.347) 23.163 7.153 ( -10.892 -6.488 5.977) 14.016 9.208 ( 3.597 -18.874 25.097) 31.607 9.752 ( 7.859 -10.996 -2.058) 13.671 10.738 ( 0.252 13.902 -24.502) 28.173 12.334 ( 0.515 -1.024 -5.277) 5.400 13.524 ( 9.000 -27.706 -4.732) 29.513 13.868 ( -6.630 -8.223 -0.480) 10.574 14.194 ( -7.699 -20.240 -7.644) 22.964 20.243 ( 2.783 27.021 0.675) 27.173 22.892 ( 4.155 36.845 -7.232) 37.777 29.989 ( 6.488 -9.741 9.848) 15.297 41.133 ( -0.932 -1.347 0.298) 1.665 ======================= Grid point 92 (87/266) ======================= q-point: ( 0.17 -0.42 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( -4.664 5.870 -6.142) 9.692 3.118 ( -5.712 14.794 4.124) 16.385 3.419 ( -4.640 12.259 -2.852) 13.414 3.931 ( -6.068 5.432 6.882) 10.662 5.015 ( -13.316 -5.297 -9.640) 17.272 5.190 ( 2.858 -7.427 6.938) 10.558 5.926 ( -17.486 -20.948 5.265) 27.790 6.591 ( -3.443 -1.551 -4.066) 5.549 7.039 ( 0.657 -10.820 2.477) 11.120 8.452 ( -14.854 0.482 4.331) 15.480 8.612 ( -3.365 -5.924 -2.766) 7.353 9.411 ( 4.473 15.750 4.003) 16.855 10.317 ( 5.489 -15.266 -24.853) 29.679 11.977 ( 13.162 -10.804 21.976) 27.801 12.636 ( -4.119 21.725 2.263) 22.228 12.786 ( 5.984 -0.758 -13.110) 14.431 16.465 ( -21.039 -12.653 0.185) 24.551 20.327 ( 3.037 -17.108 0.066) 17.376 22.689 ( 6.692 -18.160 -2.651) 19.535 29.089 ( 5.558 10.562 1.318) 12.008 41.187 ( 1.487 -4.219 0.367) 4.488 ======================= Grid point 93 (88/266) ======================= q-point: ( 0.17 0.08 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 12.115 22.746 -2.558) 25.898 2.569 ( 26.305 16.916 5.834) 31.814 2.857 ( 1.466 1.989 -3.939) 4.650 3.361 ( 12.936 1.233 -1.399) 13.070 3.808 ( 7.009 25.923 18.901) 32.838 5.401 ( -6.989 8.433 -6.488) 12.729 5.940 ( -6.995 -3.147 -17.683) 19.275 6.373 ( 1.126 4.521 0.875) 4.741 6.806 ( 6.233 -4.188 -5.826) 9.504 7.414 ( 15.763 3.688 -2.905) 16.447 8.924 ( -12.807 16.079 -2.505) 20.708 9.471 ( 1.944 17.011 -7.129) 18.547 10.458 ( -0.353 -10.720 23.668) 25.985 12.235 ( 5.862 3.776 3.638) 7.865 12.678 ( -3.703 34.216 -0.989) 34.430 13.202 ( -8.352 14.230 8.753) 18.678 14.775 ( 31.800 -17.145 1.143) 36.145 20.650 ( -6.580 -18.733 -1.508) 19.912 23.259 ( -9.234 -28.744 10.222) 31.874 29.724 ( -15.165 14.529 -7.757) 22.389 41.179 ( 2.682 -1.323 -0.891) 3.120 ======================= Grid point 94 (89/266) ======================= q-point: (-0.29 -0.21 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 730 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -8.983 -16.725 15.354) 24.417 2.712 ( -25.032 -11.970 -8.962) 29.158 3.027 ( -3.557 -6.308 -16.220) 17.763 3.333 ( -12.721 -2.173 1.209) 12.962 4.173 ( -5.503 -22.492 -17.453) 28.996 5.230 ( 8.321 -1.289 10.414) 13.392 5.566 ( 3.607 -0.380 18.224) 18.581 6.283 ( -3.749 -7.402 9.070) 12.292 6.854 ( -7.507 -0.907 -10.206) 12.702 7.351 ( -18.609 -4.686 2.750) 19.386 8.714 ( 4.344 -18.257 18.941) 26.664 9.399 ( 4.594 -10.038 -0.380) 11.046 10.962 ( 0.216 7.445 -25.174) 26.253 12.217 ( -4.994 -16.125 5.641) 17.798 12.742 ( 11.948 -23.024 -6.590) 26.763 13.384 ( 7.596 -11.726 -8.806) 16.516 14.808 ( -29.188 17.266 -2.166) 33.981 20.617 ( 5.514 17.154 1.658) 18.094 23.501 ( 12.730 36.676 -13.001) 40.941 29.537 ( 10.485 -16.702 10.225) 22.214 41.159 ( -2.431 0.568 1.077) 2.718 ======================= Grid point 95 (90/266) ======================= q-point: (-0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.873 ( 6.572 -5.524 -0.000) 8.585 3.172 ( 1.406 -17.931 -0.000) 17.986 3.384 ( 5.656 -10.680 -0.000) 12.086 4.019 ( 9.050 -3.842 0.000) 9.832 4.901 ( 11.400 5.208 0.000) 12.533 5.263 ( -1.785 8.482 0.000) 8.668 5.985 ( 17.120 18.732 0.000) 25.377 6.538 ( 1.842 2.682 0.000) 3.254 7.080 ( 1.233 8.687 0.000) 8.774 8.526 ( 16.739 8.318 0.000) 18.692 8.558 ( 1.546 0.534 0.000) 1.636 9.451 ( -5.217 -18.435 -0.000) 19.159 10.048 ( -7.530 14.508 0.000) 16.346 12.298 ( -8.136 20.050 0.000) 21.638 12.550 ( -6.239 4.528 0.000) 7.709 12.663 ( 2.624 -32.574 -0.000) 32.680 16.467 ( 20.959 12.800 0.000) 24.559 20.328 ( -3.081 17.140 0.000) 17.414 22.662 ( -5.871 17.319 0.000) 18.287 29.103 ( -6.004 -10.629 -0.000) 12.208 41.191 ( -1.607 4.283 0.000) 4.575 ======================= Grid point 97 (91/266) ======================= q-point: ( 0.24 -0.49 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.192 ( -6.119 6.876 -4.013) 10.042 3.437 ( -2.292 8.928 1.806) 9.393 3.648 ( 1.634 7.753 -2.428) 8.287 4.147 ( -3.572 5.568 8.907) 11.095 4.830 ( 8.421 -3.252 -5.212) 10.423 5.189 ( -10.596 -12.712 -0.883) 16.573 5.938 ( -19.666 -15.125 8.554) 26.243 6.280 ( 11.181 -20.351 -8.325) 24.667 6.860 ( 3.717 -2.382 8.537) 9.611 8.518 ( -1.922 -7.209 -1.635) 7.638 8.639 ( -10.663 -6.365 -4.285) 13.136 9.514 ( 11.974 -2.160 3.268) 12.598 9.972 ( -3.172 -2.896 -19.140) 19.616 11.402 ( 12.970 -14.874 19.782) 27.943 12.400 ( 2.942 -13.710 -7.303) 15.810 13.398 ( 1.515 35.037 -0.377) 35.072 16.615 ( -12.529 -7.177 0.004) 14.438 19.894 ( 1.162 -19.957 0.001) 19.990 22.261 ( 1.917 -14.746 -0.575) 14.882 29.151 ( 4.211 5.682 0.572) 7.096 41.064 ( 1.444 -4.371 0.123) 4.605 ======================= Grid point 98 (92/266) ======================= q-point: (-0.22 0.22 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 13.779 -6.798 0.000) 15.365 2.643 ( 8.546 -23.476 -0.000) 24.983 3.022 ( 4.825 -8.750 -0.000) 9.992 3.758 ( 9.347 -3.612 0.000) 10.020 4.474 ( 34.968 2.070 0.000) 35.029 5.597 ( -10.792 7.640 0.000) 13.222 6.062 ( 13.861 17.940 0.000) 22.671 6.364 ( 6.668 -7.241 -0.000) 9.844 7.253 ( 4.782 12.939 0.000) 13.794 8.239 ( 21.306 3.679 0.000) 21.621 8.435 ( 2.922 -8.463 -0.000) 8.954 9.177 ( -2.399 -18.191 -0.000) 18.349 10.436 ( -2.955 12.212 0.000) 12.564 11.870 ( 1.651 -33.717 -0.000) 33.757 12.706 ( -4.601 -0.064 -0.000) 4.601 12.774 ( 5.890 17.186 0.000) 18.167 16.367 ( 22.237 21.686 0.000) 31.060 20.682 ( -4.105 9.153 0.000) 10.031 23.176 ( -10.317 15.778 0.000) 18.852 28.942 ( -5.619 -16.627 -0.000) 17.551 41.294 ( -0.622 3.437 0.000) 3.493 ======================= Grid point 99 (93/266) ======================= q-point: (-0.22 -0.28 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -16.135 -9.798 8.836) 20.842 2.785 ( -14.399 -19.788 -10.866) 26.776 2.949 ( -0.881 -4.523 -11.364) 12.263 3.475 ( -8.354 -6.933 1.679) 10.985 4.159 ( -26.966 -7.358 -13.732) 31.142 5.295 ( -4.854 2.015 14.675) 15.587 5.751 ( -8.587 18.985 4.029) 21.223 6.259 ( -5.336 -3.244 4.040) 7.438 7.081 ( -11.387 4.172 -4.888) 13.075 7.610 ( -14.531 -5.364 5.203) 16.340 8.446 ( -7.216 -7.386 11.710) 15.613 9.139 ( 1.604 -10.513 -3.824) 11.301 11.028 ( -4.981 -4.911 -18.024) 19.334 11.931 ( -2.517 -15.065 -3.080) 15.582 12.125 ( 10.889 -14.700 11.687) 21.708 13.266 ( 1.837 6.794 -10.902) 12.976 15.823 ( -25.718 23.800 2.000) 35.098 20.749 ( 4.606 6.992 1.316) 8.475 23.823 ( 20.429 26.731 -15.490) 37.039 28.968 ( 6.074 -19.223 5.260) 20.835 41.238 ( -2.042 2.132 1.914) 3.518 ======================= Grid point 100 (94/266) ======================= q-point: ( 0.32 -0.57 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.422 ( -3.018 4.676 -0.699) 5.610 3.606 ( -1.756 3.176 0.484) 3.661 3.716 ( 1.677 4.602 -0.965) 4.993 4.285 ( 1.113 5.235 6.097) 8.113 4.651 ( 4.499 -2.328 -6.548) 8.278 5.071 ( -4.975 -12.556 0.936) 13.538 5.538 ( 13.927 -17.057 -7.326) 23.207 6.043 ( -14.276 -11.396 8.494) 20.145 6.737 ( 3.545 -1.737 7.256) 8.260 8.422 ( -1.641 -5.257 -0.694) 5.551 8.707 ( -11.454 -7.097 -11.531) 17.735 8.918 ( 16.969 -15.226 -3.397) 23.051 10.288 ( -13.116 7.714 -2.703) 15.454 10.976 ( 3.717 -8.447 18.007) 20.234 12.075 ( 2.533 -11.808 -7.709) 14.327 14.033 ( -0.625 26.985 0.266) 26.994 16.635 ( 0.013 -3.804 -0.004) 3.804 19.494 ( -0.014 -17.082 0.001) 17.082 21.999 ( -0.249 -9.456 0.006) 9.459 29.183 ( 0.493 2.790 -0.004) 2.833 40.967 ( 0.091 -3.179 0.005) 3.180 ======================= Grid point 101 (95/266) ======================= q-point: ( 0.32 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 0.000 8.257 2.827) 8.727 2.732 ( -0.000 -3.070 -1.549) 3.439 2.975 ( -0.000 1.767 15.148) 15.251 3.427 ( 0.000 18.471 -23.397) 29.809 4.759 ( 0.000 11.949 8.650) 14.751 5.727 ( 0.000 -10.366 -10.177) 14.526 6.247 ( -0.000 -1.002 18.979) 19.005 6.611 ( 0.000 16.957 2.903) 17.203 7.055 ( 0.000 15.660 -27.002) 31.214 7.283 ( 0.000 2.036 -4.499) 4.938 9.889 ( -0.000 -15.703 27.933) 32.045 10.019 ( 0.000 14.509 -16.036) 21.626 10.039 ( 0.000 10.050 1.251) 10.127 12.213 ( -0.000 2.097 4.226) 4.717 13.632 ( -0.000 -3.171 0.014) 3.171 14.082 ( 0.000 18.256 2.067) 18.372 14.937 ( 0.000 46.541 2.966) 46.635 19.659 ( -0.000 -30.462 0.142) 30.462 22.215 ( -0.000 -23.769 1.556) 23.820 30.306 ( 0.000 1.192 -4.152) 4.320 41.160 ( 0.000 1.390 -0.076) 1.392 ======================= Grid point 102 (96/266) ======================= q-point: (-0.15 -0.35 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 730 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( -11.891 -6.135 -1.995) 13.528 2.738 ( -16.297 -8.767 -0.357) 18.509 2.866 ( -0.798 -4.958 -5.459) 7.418 3.464 ( -5.675 -5.325 -1.567) 7.938 4.755 ( -31.868 1.145 -5.856) 32.422 5.364 ( 2.316 1.706 11.641) 11.991 6.284 ( -12.193 1.349 8.243) 14.779 6.593 ( -16.653 16.361 -12.348) 26.410 7.438 ( -16.794 0.044 -6.830) 18.130 7.797 ( -8.642 6.980 10.941) 15.592 8.611 ( -11.292 -3.151 8.132) 14.267 8.862 ( 0.319 -12.016 -13.131) 17.802 11.031 ( -9.906 -7.218 -7.240) 14.235 11.667 ( 7.035 -9.253 8.947) 14.668 11.817 ( 2.522 -0.011 2.115) 3.291 13.444 ( -2.440 7.199 -6.058) 9.720 16.694 ( -18.243 15.432 4.383) 24.293 20.783 ( 0.715 2.562 0.277) 2.675 23.796 ( 20.818 12.411 -13.508) 27.747 28.597 ( -0.729 -10.816 0.984) 10.885 41.308 ( -0.757 1.686 1.665) 2.488 ======================= Grid point 103 (97/266) ======================= q-point: (-0.15 0.15 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 17.737 -20.729 -0.000) 27.281 1.966 ( 26.204 -10.880 0.000) 28.373 2.933 ( -2.485 -0.483 -0.000) 2.531 3.488 ( 10.459 -2.953 0.000) 10.868 3.612 ( 48.202 -3.326 0.000) 48.317 5.920 ( 4.170 14.906 0.000) 15.478 6.078 ( 6.249 -6.037 -0.000) 8.688 6.163 ( -1.301 5.760 0.000) 5.905 7.351 ( 8.436 6.223 0.000) 10.483 7.974 ( 15.386 11.561 0.000) 19.246 8.085 ( 7.149 -15.300 -0.000) 16.888 8.753 ( 4.686 -20.440 -0.000) 20.971 10.548 ( 9.619 0.965 0.000) 9.667 11.354 ( -6.009 -14.655 -0.000) 15.839 12.744 ( -1.918 -1.966 -0.000) 2.747 12.788 ( 16.170 7.171 0.000) 17.689 16.506 ( 16.132 29.527 0.000) 33.646 20.834 ( -3.338 -2.268 -0.000) 4.036 23.683 ( -12.715 9.666 0.000) 15.972 28.652 ( -3.320 -19.758 -0.000) 20.035 41.360 ( 0.215 2.771 0.000) 2.780 ======================= Grid point 104 (98/266) ======================= q-point: ( 0.39 -0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( -18.550 4.291 0.973) 19.064 2.788 ( -11.027 -2.118 -0.904) 11.265 2.949 ( -1.474 -4.620 13.914) 14.735 3.757 ( 0.773 12.645 -23.945) 27.090 4.859 ( 2.132 1.391 10.863) 11.158 5.529 ( 2.294 -6.591 -8.808) 11.237 6.080 ( 11.845 -3.195 15.499) 19.767 6.881 ( 1.449 10.143 3.458) 10.813 7.142 ( 6.105 0.116 -5.887) 8.482 7.520 ( -11.973 5.645 -18.426) 22.688 9.546 ( 3.207 -13.838 27.283) 30.759 10.026 ( 14.066 4.227 -0.955) 14.718 10.327 ( -2.389 12.033 -13.775) 18.446 12.255 ( 1.591 2.719 1.053) 3.322 13.752 ( -15.975 -1.629 -0.182) 16.059 14.223 ( 14.516 8.540 0.829) 16.862 15.627 ( 6.463 21.533 1.032) 22.506 19.145 ( -0.067 -14.966 0.139) 14.967 21.864 ( 0.004 -8.910 0.144) 8.911 30.244 ( 5.739 -1.188 -1.184) 5.979 41.174 ( 0.613 0.288 -0.038) 0.679 ======================= Grid point 105 (99/266) ======================= q-point: ( 0.39 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.431 ( 6.312 -0.013 -2.289) 6.714 3.629 ( -0.550 -0.103 6.133) 6.159 3.892 ( -9.390 2.563 -2.825) 10.135 4.299 ( 5.741 2.222 -0.001) 6.156 4.559 ( 3.381 2.717 -2.928) 5.233 4.934 ( -3.179 -7.500 2.033) 8.396 5.228 ( 2.880 3.671 -7.887) 9.164 6.033 ( -10.266 -13.580 8.487) 19.022 6.698 ( -0.117 2.048 5.362) 5.741 8.325 ( 4.022 -3.652 -3.914) 6.696 8.440 ( 4.048 -5.496 1.113) 6.916 8.920 ( -15.169 1.459 -13.219) 20.173 10.524 ( -3.891 -5.602 13.140) 14.805 11.034 ( -18.439 0.424 4.031) 18.880 11.872 ( 0.081 -2.780 -6.935) 7.472 14.499 ( -5.801 10.786 0.233) 12.250 16.448 ( 13.247 -1.262 -0.004) 13.307 19.224 ( 0.682 -7.491 0.008) 7.522 21.868 ( -0.013 -3.613 0.038) 3.613 29.264 ( -4.510 1.282 -0.149) 4.691 40.940 ( -1.758 -1.039 -0.021) 2.042 ======================= Grid point 106 (100/266) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 26.092 0.000 0.000) 26.092 1.234 ( 30.753 0.000 0.000) 30.753 2.468 ( 57.792 0.000 0.000) 57.792 3.001 ( -2.932 -0.000 -0.000) 2.932 3.237 ( 10.462 0.000 0.000) 10.462 5.921 ( 2.256 0.000 0.000) 2.256 5.948 ( 13.615 0.000 0.000) 13.615 6.380 ( -14.287 -0.000 -0.000) 14.287 7.157 ( 12.984 0.000 0.000) 12.984 7.635 ( 12.715 0.000 0.000) 12.715 8.066 ( 6.381 0.000 0.000) 6.381 8.260 ( 6.511 0.000 0.000) 6.511 10.256 ( 12.351 0.000 0.000) 12.351 11.416 ( -8.429 -0.000 -0.000) 8.429 12.499 ( 17.844 0.000 0.000) 17.844 12.738 ( -0.499 -0.000 -0.000) 0.499 16.773 ( 2.822 0.000 0.000) 2.822 20.769 ( 0.707 0.000 0.000) 0.707 24.038 ( -11.393 -0.000 -0.000) 11.393 28.374 ( 2.051 0.000 0.000) 2.051 41.398 ( -0.190 -0.000 -0.000) 0.190 ======================= Grid point 107 (101/266) ======================= q-point: (-0.07 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( -6.942 -0.000 -3.523) 7.785 2.755 ( 2.610 0.000 -0.009) 2.610 3.093 ( -20.162 -0.000 3.890) 20.534 3.521 ( -4.825 -0.000 -4.352) 6.498 5.203 ( 2.858 0.000 14.089) 14.376 5.406 ( -18.015 -0.000 -10.069) 20.638 6.559 ( -13.683 0.000 3.068) 14.023 7.081 ( -12.020 -0.000 -7.240) 14.032 7.771 ( -18.093 -0.000 -7.583) 19.618 8.205 ( -8.085 0.000 10.907) 13.577 8.452 ( 1.484 -0.000 -8.893) 9.016 8.903 ( -6.026 -0.000 -1.340) 6.173 11.180 ( -10.302 -0.000 -2.399) 10.577 11.390 ( 8.967 0.000 10.188) 13.572 11.808 ( 0.801 -0.000 -0.336) 0.869 13.580 ( -2.233 -0.000 -2.268) 3.183 17.171 ( -13.931 -0.000 2.950) 14.239 20.820 ( -0.731 -0.000 0.005) 0.731 23.550 ( 14.922 -0.000 -8.805) 17.326 28.530 ( -2.282 -0.000 0.025) 2.282 41.334 ( 0.034 0.000 0.888) 0.889 ======================= Grid point 108 (102/266) ======================= q-point: (-0.53 0.28 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.265 ( 6.711 -2.417 -5.394) 8.942 3.624 ( -1.186 -3.061 11.256) 11.725 4.068 ( -9.795 -6.985 -8.018) 14.457 4.145 ( 11.490 0.160 0.739) 11.514 4.547 ( 11.158 7.291 0.482) 13.338 4.927 ( -6.848 -0.922 -0.077) 6.911 5.489 ( -3.429 12.374 0.855) 12.869 5.972 ( -12.320 -9.030 -1.383) 15.338 6.808 ( -2.509 4.799 5.519) 7.732 8.293 ( 1.352 -1.161 0.570) 1.871 8.330 ( -1.523 2.276 -0.515) 2.787 9.349 ( -13.852 9.429 -18.223) 24.756 10.378 ( -2.219 -12.397 19.349) 23.086 11.458 ( -21.032 -0.728 -9.772) 23.203 12.060 ( -12.407 8.686 3.152) 15.470 14.653 ( -10.198 -12.846 -0.243) 16.404 16.064 ( 24.250 1.453 0.007) 24.294 19.204 ( 1.129 8.325 -0.019) 8.401 21.865 ( 0.058 4.085 -0.062) 4.086 29.412 ( -8.825 -0.482 0.295) 8.843 40.991 ( -2.967 1.077 0.053) 3.157 ======================= Grid point 109 (103/266) ======================= q-point: (-0.53 -0.22 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( -6.440 -11.595 11.101) 17.296 3.066 ( -24.632 0.195 -1.452) 24.675 3.127 ( -18.483 3.137 2.354) 18.894 3.884 ( 2.760 3.184 -25.614) 25.958 4.790 ( 4.105 -0.815 15.628) 16.178 5.336 ( 5.371 -5.301 -3.508) 8.322 5.652 ( 15.730 -10.734 9.916) 21.471 6.872 ( 4.691 -6.189 -2.767) 8.244 7.082 ( 2.527 6.800 1.953) 7.512 7.815 ( -11.491 -0.967 -17.631) 21.067 9.163 ( 10.206 -11.295 23.184) 27.736 9.723 ( 15.465 -1.532 3.636) 15.961 10.640 ( -3.533 12.629 -17.559) 21.915 12.224 ( 6.894 2.648 2.091) 7.675 13.836 ( 27.750 -2.290 -2.314) 27.940 14.201 ( -26.785 1.258 0.404) 26.818 15.464 ( 11.090 -17.167 0.087) 20.438 19.155 ( -0.234 13.914 -0.136) 13.917 21.868 ( 0.051 8.755 -0.074) 8.756 30.034 ( 9.358 -4.135 0.951) 10.275 41.150 ( 1.537 -0.167 0.054) 1.547 ======================= Grid point 112 (104/266) ======================= q-point: (-0.46 -0.29 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( -11.234 -13.814 10.364) 20.602 3.504 ( -17.077 0.831 -0.858) 17.119 3.592 ( -18.496 -1.143 -5.890) 19.445 3.827 ( -1.736 -4.032 -15.792) 16.391 4.685 ( 6.266 1.480 10.525) 12.338 5.024 ( 10.874 -12.529 11.306) 20.076 5.172 ( 6.185 -4.513 0.029) 7.656 6.646 ( 0.823 -8.210 1.639) 8.412 7.214 ( 1.799 8.993 -11.269) 14.530 7.963 ( -11.238 -5.457 -10.405) 16.258 8.692 ( 13.493 -8.123 16.126) 22.540 9.419 ( 8.748 -3.886 10.536) 14.235 10.972 ( -1.876 13.456 -24.206) 27.758 12.144 ( 7.338 5.824 8.156) 12.422 13.066 ( 34.939 -8.555 -2.944) 36.092 14.560 ( 0.649 -30.080 0.189) 30.087 14.991 ( -22.732 1.028 -1.022) 22.778 19.564 ( 2.144 24.291 -0.109) 24.386 22.160 ( 3.185 20.866 -0.822) 21.123 29.712 ( 10.272 -7.314 2.118) 12.786 41.121 ( 1.768 0.879 0.212) 1.986 ======================= Grid point 113 (105/266) ======================= q-point: (-0.46 0.21 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.072 ( 4.816 -4.676 -8.483) 10.818 3.494 ( 2.878 -9.666 15.540) 18.526 3.862 ( 14.263 -0.748 1.493) 14.361 3.952 ( 5.397 -10.167 -4.642) 12.412 4.433 ( 8.299 2.794 -10.434) 13.622 5.167 ( -11.591 3.730 3.701) 12.727 5.545 ( -3.626 -7.064 17.394) 19.121 6.276 ( -7.992 8.949 -17.414) 21.147 6.934 ( -1.575 1.787 6.731) 7.140 8.105 ( 10.001 -2.413 -0.121) 10.289 8.593 ( -13.141 2.369 1.068) 13.395 9.792 ( -6.341 13.148 -22.265) 26.623 10.136 ( -1.801 -14.762 17.614) 23.052 11.880 ( -14.198 6.573 -10.031) 18.585 12.572 ( -21.918 3.062 6.431) 23.046 14.359 ( -9.456 -34.537 -1.321) 35.833 15.569 ( 30.280 5.288 -0.024) 30.739 19.524 ( -1.357 21.583 -0.064) 21.626 22.069 ( -2.289 14.250 -0.585) 14.445 29.577 ( -11.251 -3.851 1.406) 11.974 41.086 ( -2.622 2.191 0.206) 3.424 ======================= Grid point 114 (106/266) ======================= q-point: ( 0.08 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 0.000 24.392 0.000) 24.392 1.510 ( 0.000 34.566 0.000) 34.566 2.388 ( 0.000 53.146 0.000) 53.146 2.931 ( -0.000 -2.118 -0.000) 2.118 3.115 ( 0.000 2.632 0.000) 2.632 5.240 ( 0.000 20.040 0.000) 20.040 6.171 ( 0.000 9.118 0.000) 9.118 6.553 ( -0.000 -9.357 -0.000) 9.357 6.966 ( 0.000 6.796 0.000) 6.796 7.113 ( -0.000 -17.515 -0.000) 17.515 9.041 ( 0.000 23.022 0.000) 23.022 9.200 ( 0.000 11.721 0.000) 11.721 10.094 ( 0.000 4.478 0.000) 4.478 11.828 ( 0.000 8.423 0.000) 8.423 12.020 ( 0.000 24.114 0.000) 24.114 12.998 ( 0.000 12.059 0.000) 12.059 13.862 ( -0.000 -2.930 -0.000) 2.930 21.260 ( -0.000 -15.956 -0.000) 15.956 23.826 ( -0.000 -21.398 -0.000) 21.398 30.276 ( 0.000 1.692 0.000) 1.692 41.043 ( 0.000 1.747 0.000) 1.747 ======================= Grid point 115 (107/266) ======================= q-point: ( 0.08 -0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 377 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( 0.000 11.418 0.000) 11.418 2.985 ( 0.000 12.815 -0.000) 12.815 3.585 ( 0.000 0.268 -0.000) 0.268 3.726 ( 0.000 5.396 0.000) 5.396 4.924 ( 0.000 -2.264 0.000) 2.264 5.729 ( 0.000 -6.535 -0.000) 6.535 6.827 ( 0.000 -2.392 -0.000) 2.392 6.923 ( 0.000 -17.522 0.000) 17.522 7.273 ( 0.000 -26.832 -0.000) 26.832 8.707 ( -0.000 1.684 0.000) 1.684 8.737 ( 0.000 7.573 -0.000) 7.573 9.113 ( 0.000 6.961 0.000) 6.961 10.968 ( 0.000 -4.531 0.000) 4.531 11.426 ( 0.000 -18.583 -0.000) 18.583 12.081 ( 0.000 26.219 0.000) 26.219 13.197 ( 0.000 -17.819 0.000) 17.819 17.158 ( 0.000 -12.282 0.000) 12.282 20.575 ( 0.000 -12.394 0.000) 12.394 22.908 ( 0.000 -14.805 0.000) 14.805 28.796 ( 0.000 8.436 0.000) 8.436 41.237 ( 0.000 -4.000 0.000) 4.000 ======================= Grid point 117 (108/266) ======================= q-point: (-0.39 0.14 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 3.510 -7.064 -11.606) 14.033 3.100 ( 8.258 -14.839 19.137) 25.585 3.379 ( 23.237 -11.100 -2.459) 25.869 3.632 ( 12.843 -0.160 0.074) 12.844 4.277 ( 2.059 -10.979 -15.817) 19.364 5.385 ( -9.406 -6.217 9.960) 15.044 5.631 ( -8.982 5.796 13.958) 17.581 6.462 ( 0.887 2.015 -11.119) 11.335 6.906 ( 2.191 -3.248 5.711) 6.926 7.799 ( 14.734 -2.809 -0.034) 15.000 8.860 ( -15.159 -5.826 0.862) 16.263 9.839 ( 0.596 -15.503 13.440) 20.526 10.159 ( -2.345 14.213 -23.122) 27.242 12.215 ( -3.075 6.897 -7.163) 10.408 12.944 ( -17.925 -8.842 6.363) 20.975 13.681 ( -5.421 -42.746 -4.840) 43.359 15.109 ( 30.616 10.777 -0.232) 32.458 20.078 ( -4.714 24.389 0.129) 24.840 22.551 ( -6.295 23.673 -3.062) 24.686 29.689 ( -12.559 -8.888 3.501) 15.779 41.166 ( -0.507 2.025 0.458) 2.137 ======================= Grid point 118 (109/266) ======================= q-point: (-0.39 -0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( -15.702 -12.937 8.440) 22.026 3.557 ( 1.302 -6.857 -14.472) 16.067 3.724 ( -4.194 -8.544 -0.254) 9.522 3.913 ( -9.565 -5.729 -3.689) 11.744 4.633 ( 0.192 3.320 7.203) 7.933 4.928 ( -8.185 10.943 9.491) 16.638 5.109 ( -3.794 1.031 -0.117) 3.933 6.543 ( -4.229 -4.559 1.975) 6.525 7.297 ( 7.251 6.621 -18.318) 20.783 8.143 ( -15.027 -1.280 -0.555) 15.091 8.421 ( 0.326 -2.872 11.167) 11.535 9.213 ( 5.136 -2.056 10.842) 12.172 11.249 ( 1.962 13.831 -29.161) 32.334 12.147 ( 34.668 -10.776 0.717) 36.311 12.223 ( 0.330 8.711 13.913) 16.418 13.725 ( 7.175 -32.477 -2.931) 33.389 15.719 ( -28.788 9.268 0.018) 30.244 19.991 ( 3.600 22.071 0.029) 22.363 22.528 ( 7.983 24.586 -2.033) 25.930 29.347 ( 7.829 -9.658 2.138) 12.615 41.124 ( 1.474 2.688 0.351) 3.086 ======================= Grid point 119 (110/266) ======================= q-point: ( 0.15 0.35 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 730 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( 3.801 11.247 -0.560) 11.885 3.242 ( 1.616 11.368 3.552) 12.020 3.550 ( 4.302 4.499 -0.563) 6.251 3.861 ( 0.314 7.830 -0.828) 7.880 4.922 ( -4.752 -3.943 -4.910) 7.889 5.464 ( 9.766 -8.376 4.166) 13.524 6.220 ( 20.215 -26.322 -4.827) 33.538 6.730 ( 3.097 -3.057 2.268) 4.907 6.920 ( -10.214 -18.242 2.931) 21.111 8.617 ( 6.848 0.494 -3.650) 7.775 8.763 ( 7.071 -2.083 2.896) 7.920 9.270 ( -1.302 6.623 -3.328) 7.526 10.860 ( -0.975 -14.644 34.773) 37.743 11.159 ( -16.210 -11.374 -28.634) 34.814 12.643 ( 3.808 21.103 -5.209) 22.067 12.874 ( -4.904 -6.136 6.047) 9.913 16.799 ( 11.770 -10.771 -0.132) 15.955 20.282 ( -1.438 -17.194 -0.023) 17.254 22.622 ( -4.504 -17.579 1.758) 18.232 28.989 ( -2.223 8.413 -0.831) 8.741 41.155 ( -0.917 -4.611 -0.224) 4.706 ======================= Grid point 120 (111/266) ======================= q-point: ( 0.15 -0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( -25.278 16.364 0.000) 30.113 2.224 ( -5.198 26.825 0.000) 27.324 2.920 ( -3.415 -1.094 -0.000) 3.586 3.237 ( -4.784 4.395 0.000) 6.496 3.429 ( -3.457 40.450 0.000) 40.598 5.614 ( 7.183 20.555 0.000) 21.774 6.290 ( 5.160 -9.936 -0.000) 11.196 6.300 ( -1.530 -0.208 -0.000) 1.545 6.895 ( -0.257 -1.176 -0.000) 1.203 7.208 ( -8.601 6.042 0.000) 10.511 9.255 ( 17.084 16.921 0.000) 24.045 9.511 ( -2.200 20.152 0.000) 20.271 10.130 ( -4.056 -8.659 -0.000) 9.561 12.026 ( -5.810 3.174 -0.000) 6.620 12.738 ( 1.999 45.626 0.000) 45.669 13.246 ( 5.172 15.394 0.000) 16.239 14.123 ( -28.283 -9.624 -0.000) 29.875 20.796 ( 5.086 -22.258 -0.000) 22.831 23.272 ( 4.255 -26.702 -0.000) 27.039 30.147 ( 14.682 6.713 0.000) 16.144 41.122 ( -3.288 0.551 -0.000) 3.334 ======================= Grid point 121 (112/266) ======================= q-point: (-0.31 -0.44 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( -14.780 -10.902 5.854) 19.276 3.345 ( 1.776 -11.482 -5.701) 12.942 3.478 ( 1.200 -11.976 0.492) 12.047 3.940 ( -5.386 -4.838 -10.373) 12.650 4.760 ( 0.043 4.558 13.226) 13.990 5.358 ( -12.637 6.248 -6.126) 15.370 5.697 ( -20.035 29.626 5.925) 36.252 6.637 ( -7.902 1.770 -0.972) 8.156 7.259 ( 8.538 7.483 -9.827) 15.015 8.347 ( -11.125 -5.941 2.295) 12.819 8.620 ( -12.819 4.911 1.645) 13.825 9.155 ( 0.245 2.447 6.575) 7.020 11.240 ( 30.126 -7.994 11.262) 33.141 11.517 ( -0.100 10.071 -28.697) 30.413 12.376 ( -5.380 -4.682 12.329) 14.243 13.100 ( 8.141 -7.689 -3.303) 11.675 16.454 ( -21.427 11.876 0.275) 24.499 20.324 ( 2.832 16.963 0.064) 17.198 22.822 ( 10.555 22.112 -2.667) 24.647 29.024 ( 3.432 -10.224 1.311) 10.864 41.169 ( 0.943 3.931 0.341) 4.057 ======================= Grid point 123 (113/266) ======================= q-point: ( 0.23 -0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( -2.698 10.010 0.000) 10.367 2.773 ( -30.916 9.942 -0.000) 32.475 3.123 ( -11.841 6.500 -0.000) 13.507 3.468 ( -5.787 7.195 0.000) 9.233 4.091 ( 3.249 22.680 0.000) 22.911 5.742 ( 13.668 9.411 0.000) 16.595 6.021 ( 9.173 2.612 0.000) 9.537 6.225 ( -4.100 -10.971 -0.000) 11.712 6.997 ( 0.970 7.333 0.000) 7.397 7.546 ( -11.406 6.866 -0.000) 13.313 9.194 ( 17.963 10.309 0.000) 20.710 9.930 ( 0.276 -12.902 -0.000) 12.905 9.946 ( -2.771 17.131 0.000) 17.353 12.134 ( -1.771 -1.585 -0.000) 2.377 13.349 ( 14.869 12.761 0.000) 19.595 13.699 ( 2.694 48.986 0.000) 49.060 14.500 ( -28.346 -8.755 -0.000) 29.667 20.179 ( 4.806 -26.937 -0.000) 27.363 22.627 ( 4.780 -25.213 -0.000) 25.662 30.003 ( 13.573 6.446 0.000) 15.026 41.166 ( -0.920 -0.644 -0.000) 1.123 ======================= Grid point 124 (114/266) ======================= q-point: ( 0.23 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( 7.899 9.104 -4.634) 12.913 3.319 ( 5.267 5.942 8.045) 11.304 3.732 ( -2.629 12.160 0.933) 12.476 3.976 ( 4.148 5.780 -0.141) 7.116 4.865 ( 3.317 -7.748 -8.723) 12.130 5.108 ( 4.836 -5.476 8.337) 11.085 5.376 ( 14.571 -13.542 -11.838) 23.148 6.619 ( 0.029 -3.886 5.380) 6.637 6.835 ( -8.824 -9.695 3.788) 13.645 8.420 ( 14.159 -2.429 1.296) 14.424 8.519 ( 0.633 -5.194 -0.444) 5.252 9.452 ( -3.783 6.764 -16.845) 18.543 10.555 ( -4.714 -16.951 31.906) 36.435 11.542 ( -28.313 -0.019 -7.427) 29.271 12.447 ( 0.008 -13.359 -5.848) 14.583 13.514 ( -5.939 35.035 3.509) 35.707 16.251 ( 22.838 -8.056 -0.070) 24.217 19.930 ( -2.408 -20.857 -0.003) 20.995 22.355 ( -5.073 -18.047 1.750) 18.828 29.239 ( -6.617 7.209 -1.759) 9.943 41.095 ( -1.938 -3.790 -0.343) 4.270 ======================= Grid point 126 (115/266) ======================= q-point: (-0.24 -0.51 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( -5.853 -10.885 1.213) 12.418 3.037 ( 2.388 -12.796 -1.558) 13.110 3.310 ( -4.297 -6.498 8.587) 11.594 3.989 ( -5.375 -1.529 -18.815) 19.627 4.787 ( 2.723 2.097 14.426) 14.830 5.733 ( -8.544 7.065 -7.147) 13.191 6.549 ( -11.423 10.496 8.980) 17.924 7.017 ( -9.048 18.701 -11.257) 23.629 7.321 ( 4.754 15.282 1.126) 16.044 8.446 ( -10.698 -5.364 1.944) 12.124 8.836 ( -1.643 0.617 -0.706) 1.892 9.250 ( -4.064 -2.692 -11.508) 12.498 10.598 ( 16.392 -3.285 31.360) 35.538 11.698 ( -4.481 -2.605 -13.259) 14.236 12.208 ( -1.090 -8.499 -12.560) 15.204 13.148 ( 3.380 16.359 6.400) 17.889 17.041 ( -10.968 12.638 0.347) 16.737 20.584 ( 0.908 12.007 0.021) 12.042 23.020 ( 8.660 16.349 -2.022) 18.611 28.792 ( 0.134 -8.909 0.414) 8.920 41.239 ( 0.293 3.803 0.189) 3.819 ======================= Grid point 127 (116/266) ======================= q-point: ( 0.30 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 730 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.160 ( 7.774 8.527 -10.011) 15.276 3.356 ( 2.066 4.725 12.199) 13.244 3.830 ( 12.901 1.401 -1.622) 13.078 4.014 ( 9.364 8.079 2.248) 12.570 4.598 ( -1.329 -3.453 3.785) 5.293 5.087 ( -6.703 -1.974 -3.232) 7.699 5.207 ( -0.642 7.565 -16.181) 17.874 6.595 ( -6.230 -3.965 11.170) 13.391 6.842 ( -6.033 -4.675 1.968) 7.882 8.122 ( 11.511 0.327 1.708) 11.642 8.554 ( -11.856 -1.656 -3.058) 12.355 9.702 ( -3.879 9.341 -23.429) 25.519 10.351 ( -4.530 -12.946 31.249) 34.127 12.080 ( -12.932 -3.579 8.302) 15.779 12.396 ( -25.864 -2.007 -10.594) 28.021 14.390 ( -9.665 32.998 1.601) 34.421 15.569 ( 30.101 -5.260 0.074) 30.557 19.526 ( -1.402 -21.543 0.092) 21.589 22.084 ( -2.561 -15.356 0.828) 15.590 29.542 ( -10.472 4.903 -1.991) 11.733 41.081 ( -2.569 -2.013 -0.282) 3.276 ======================= Grid point 128 (117/266) ======================= q-point: ( 0.30 -0.30 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( -3.887 4.597 0.000) 6.020 3.517 ( -17.478 0.795 -0.000) 17.496 3.530 ( -27.235 5.528 -0.000) 27.791 3.748 ( -1.530 12.029 0.000) 12.126 4.256 ( 8.226 6.898 0.000) 10.735 5.469 ( 13.015 -4.589 0.000) 13.800 6.016 ( -1.433 -15.997 -0.000) 16.061 6.070 ( 14.405 21.174 0.000) 25.610 7.039 ( 1.937 -1.169 0.000) 2.263 7.925 ( -9.334 8.545 0.000) 12.655 8.933 ( 18.414 0.489 0.000) 18.421 9.633 ( 3.309 -11.941 -0.000) 12.391 10.334 ( -1.978 16.179 0.000) 16.300 11.991 ( 8.971 -5.191 0.000) 10.364 13.127 ( 25.212 4.819 0.000) 25.669 14.523 ( 6.702 37.819 0.000) 38.408 14.944 ( -29.175 -4.276 -0.000) 29.486 19.558 ( 2.029 -24.554 -0.000) 24.638 22.110 ( 2.352 -16.806 -0.000) 16.969 29.840 ( 12.676 3.179 0.000) 13.068 41.134 ( 1.751 -1.389 -0.000) 2.235 ======================= Grid point 129 (118/266) ======================= q-point: (-0.16 0.41 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( -1.645 -7.111 -0.333) 7.307 2.756 ( 3.085 -8.330 0.367) 8.891 3.315 ( -2.179 -2.074 10.825) 11.235 4.019 ( 2.157 -0.576 -21.483) 21.599 4.818 ( -4.618 0.864 13.157) 13.970 5.926 ( 2.161 4.316 -7.535) 8.949 6.743 ( -0.612 1.287 9.257) 9.366 7.258 ( 5.152 7.306 -1.821) 9.124 7.819 ( 0.159 23.943 -2.807) 24.107 8.545 ( -8.726 -6.933 0.301) 11.149 8.734 ( 8.682 -3.658 -5.867) 11.099 9.095 ( 3.223 -6.873 -13.807) 15.756 10.521 ( -3.746 4.383 39.153) 39.575 11.541 ( -0.236 -12.569 0.790) 12.596 12.225 ( -1.365 3.368 -28.140) 28.374 13.420 ( 0.812 11.611 7.593) 13.897 17.389 ( -0.704 9.126 0.032) 9.153 20.770 ( -0.008 6.403 -0.000) 6.403 23.156 ( 3.190 8.699 -0.006) 9.266 28.643 ( -0.173 -5.787 0.000) 5.790 41.303 ( -0.252 2.269 -0.005) 2.283 ======================= Grid point 130 (119/266) ======================= q-point: (-0.16 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 0.000 -20.036 -21.673) 29.515 0.964 ( 0.000 -23.547 -22.737) 32.733 1.772 ( 0.000 -41.303 -43.224) 59.785 2.929 ( -0.000 0.970 3.679) 3.805 3.059 ( -0.000 -1.914 2.273) 2.972 4.939 ( -0.000 -11.577 -3.089) 11.982 5.651 ( -0.000 -2.474 14.123) 14.338 6.610 ( -0.000 2.832 12.913) 13.220 6.752 ( -0.000 -4.405 9.545) 10.512 7.205 ( -0.000 10.796 13.602) 17.366 8.096 ( -0.000 -28.666 20.192) 35.064 9.058 ( -0.000 -6.306 -4.617) 7.816 10.191 ( -0.000 -13.384 -9.775) 16.574 11.668 ( -0.000 -4.460 -0.129) 4.462 12.058 ( -0.000 -12.888 -5.015) 13.829 13.908 ( 0.000 1.561 -0.015) 1.561 14.225 ( 0.000 73.407 -74.271) 104.426 21.129 ( -0.000 -13.196 18.372) 22.620 25.097 ( 0.000 59.819 -53.683) 80.375 29.503 ( -0.000 -40.196 45.936) 61.040 41.013 ( -0.000 -0.979 0.098) 0.984 ======================= Grid point 131 (120/266) ======================= q-point: ( 0.37 -0.37 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( -6.778 1.782 -0.000) 7.008 3.857 ( -16.983 -1.569 -0.000) 17.055 3.974 ( 2.802 9.899 0.000) 10.288 3.981 ( 1.682 4.820 0.000) 5.105 4.234 ( -12.495 -3.664 -0.000) 13.021 5.131 ( 11.250 -2.533 0.000) 11.531 5.587 ( 4.406 -21.923 -0.000) 22.362 6.245 ( 15.660 24.708 0.000) 29.253 6.899 ( 1.881 -7.071 -0.000) 7.317 8.238 ( -5.582 6.796 0.000) 8.795 8.526 ( 14.855 -4.951 0.000) 15.659 9.310 ( 6.650 -9.733 -0.000) 11.788 10.700 ( 0.347 17.607 0.000) 17.610 11.622 ( 15.735 -3.771 0.000) 16.180 12.567 ( 29.130 -3.747 0.000) 29.370 14.885 ( 12.532 14.987 0.000) 19.536 15.498 ( -30.662 -1.597 -0.000) 30.704 19.180 ( -1.152 -9.686 -0.000) 9.754 21.864 ( -0.045 -5.110 -0.000) 5.110 29.624 ( 11.445 -0.127 0.000) 11.446 41.055 ( 3.157 -0.941 0.000) 3.295 ======================= Grid point 132 (121/266) ======================= q-point: ( 0.37 0.13 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( 5.094 5.756 -7.342) 10.630 3.396 ( 5.449 1.606 7.029) 9.038 3.498 ( 13.471 -0.827 -0.722) 13.515 3.662 ( 25.595 -0.470 2.111) 25.686 4.820 ( -11.056 2.351 2.287) 11.532 5.189 ( -7.133 -1.761 -3.085) 7.969 5.521 ( -9.427 7.056 -7.643) 14.038 6.723 ( -8.979 0.252 4.936) 10.249 6.911 ( -7.633 -1.124 1.537) 7.867 7.913 ( 13.072 1.617 0.552) 13.184 8.934 ( -24.886 0.819 -1.739) 24.960 9.941 ( 0.633 8.651 -22.412) 24.032 10.188 ( -3.440 -9.612 25.346) 27.325 12.134 ( -6.100 -2.061 0.786) 6.487 13.140 ( -36.349 2.524 0.016) 36.436 14.810 ( 30.427 -0.332 -0.339) 30.431 15.211 ( -11.700 14.609 0.765) 18.732 19.163 ( 0.749 -11.679 0.108) 11.703 21.866 ( -0.005 -6.908 0.112) 6.908 29.839 ( -11.547 1.753 -1.000) 11.722 41.111 ( -2.508 -0.375 -0.096) 2.538 ======================= Grid point 133 (122/266) ======================= q-point: (-0.09 -0.16 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -18.335 -0.000 -27.197) 32.800 0.957 ( -22.004 -0.000 -25.321) 33.546 1.696 ( -42.061 -0.000 -40.155) 58.152 3.018 ( 1.405 0.000 3.006) 3.318 3.024 ( -7.182 0.000 3.240) 7.879 5.154 ( -20.684 0.000 29.638) 36.142 5.776 ( -7.721 -0.000 -4.781) 9.081 6.607 ( 7.482 0.000 6.170) 9.698 6.610 ( -2.654 0.000 14.551) 14.791 7.513 ( -21.192 0.000 5.510) 21.897 7.830 ( -3.969 0.000 12.864) 13.462 8.708 ( 17.724 -0.000 -24.180) 29.980 10.111 ( -6.753 -0.000 -5.017) 8.412 11.665 ( -1.173 -0.000 -3.140) 3.352 11.932 ( -4.713 0.000 7.121) 8.539 13.379 ( 23.234 -0.000 -30.070) 38.001 16.227 ( -25.516 0.000 25.967) 36.405 20.757 ( -0.394 -0.000 0.049) 0.397 25.379 ( 61.903 -0.000 -57.122) 84.232 28.342 ( -1.103 -0.000 -0.038) 1.103 41.211 ( -9.781 0.000 10.150) 14.096 ======================= Grid point 134 (123/266) ======================= q-point: (-0.09 0.34 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 6.741 0.000 -0.036) 6.741 2.678 ( -3.261 0.000 1.132) 3.452 3.242 ( 8.009 0.000 10.577) 13.267 3.883 ( 8.768 -0.000 -18.225) 20.225 5.012 ( -12.234 0.000 7.793) 14.505 5.800 ( 14.670 -0.000 -6.842) 16.187 6.681 ( 7.166 0.000 9.403) 11.822 7.204 ( 9.167 0.000 2.474) 9.496 8.035 ( 9.909 0.000 -1.706) 10.055 8.432 ( 0.139 -0.000 -3.784) 3.787 8.504 ( 8.515 -0.000 -7.691) 11.474 8.999 ( 3.138 -0.000 -3.368) 4.603 10.746 ( -10.708 0.000 32.505) 34.223 11.322 ( 6.686 0.000 0.896) 6.746 12.296 ( -1.691 -0.000 -28.971) 29.020 13.525 ( 1.471 0.000 7.398) 7.543 17.423 ( 7.138 0.000 -0.821) 7.185 20.832 ( 0.403 0.000 -0.000) 0.403 23.250 ( -3.656 0.000 2.943) 4.694 28.567 ( 1.287 0.000 -0.012) 1.287 41.336 ( -0.603 -0.000 -0.249) 0.653 ======================= Grid point 136 (124/266) ======================= q-point: ( 0.45 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( -9.415 -1.063 -0.000) 9.475 3.853 ( 8.351 -0.348 0.000) 8.358 3.972 ( 4.545 -2.869 -0.000) 5.375 4.141 ( -8.262 3.452 -0.000) 8.954 4.415 ( -8.790 -6.458 -0.000) 10.908 5.009 ( 2.735 5.791 0.000) 6.404 5.111 ( 0.023 -13.632 -0.000) 13.632 6.413 ( 17.360 23.001 0.000) 28.817 6.741 ( -0.500 -5.518 -0.000) 5.541 8.270 ( 2.773 1.020 0.000) 2.955 8.430 ( -2.974 3.827 0.000) 4.847 8.973 ( 10.235 -5.496 0.000) 11.617 10.979 ( 11.121 16.063 0.000) 19.537 11.305 ( 12.928 2.974 0.000) 13.266 11.935 ( 17.203 -6.034 0.000) 18.230 14.668 ( 10.373 -11.314 -0.000) 15.350 16.063 ( -24.229 1.430 -0.000) 24.271 19.206 ( -1.081 8.424 0.000) 8.493 21.869 ( -0.013 4.547 0.000) 4.547 29.394 ( 8.329 -2.219 0.000) 8.619 40.988 ( 2.907 0.796 0.000) 3.014 ======================= Grid point 139 (125/266) ======================= q-point: (-0.48 -0.52 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.376 ( -7.850 -3.824 -0.000) 8.732 3.683 ( 4.745 -3.636 -0.000) 5.978 3.737 ( 5.128 -7.250 -0.000) 8.880 4.357 ( -3.369 4.800 0.000) 5.864 4.408 ( -5.693 -4.814 -0.000) 7.456 5.164 ( 1.529 10.906 0.000) 11.013 5.170 ( -13.139 7.970 -0.000) 15.367 6.474 ( 18.233 18.161 0.000) 25.734 6.728 ( -4.489 -0.653 -0.000) 4.536 8.509 ( -5.452 15.735 0.000) 16.653 8.537 ( -1.790 2.383 0.000) 2.980 8.741 ( 4.072 0.694 0.000) 4.131 10.690 ( 27.035 -1.958 0.000) 27.105 11.258 ( 6.158 11.637 0.000) 13.166 11.871 ( -3.851 8.267 0.000) 9.120 14.099 ( 5.206 -26.766 -0.000) 27.268 16.501 ( -13.036 3.952 -0.000) 13.621 19.496 ( 0.276 17.611 0.000) 17.614 22.017 ( 1.322 10.612 0.000) 10.694 29.213 ( 3.559 -3.487 -0.000) 4.983 40.981 ( 1.483 2.974 0.000) 3.323 ======================= Grid point 144 (126/266) ======================= q-point: (-0.40 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( -0.000 -9.190 -7.962) 12.160 2.568 ( -0.000 -19.508 19.992) 27.933 2.734 ( -0.000 2.140 4.141) 4.661 3.272 ( 0.000 -6.810 -22.616) 23.619 4.592 ( -0.000 -18.907 -9.218) 21.035 5.604 ( -0.000 0.749 20.381) 20.395 6.123 ( -0.000 -7.735 27.506) 28.573 6.283 ( -0.000 -21.967 -4.749) 22.475 6.714 ( 0.000 -5.123 -24.874) 25.396 7.047 ( -0.000 -7.853 8.593) 11.641 9.239 ( -0.000 -19.345 26.499) 32.809 9.843 ( -0.000 -12.434 -2.731) 12.730 10.740 ( 0.000 13.978 -23.098) 26.998 12.344 ( 0.000 -1.630 -6.545) 6.745 13.659 ( -0.000 -29.574 -7.067) 30.406 13.709 ( 0.000 4.051 -0.034) 4.051 14.155 ( -0.000 -33.458 -7.926) 34.384 20.273 ( 0.000 27.545 0.798) 27.556 22.936 ( 0.000 38.452 -7.777) 39.231 30.058 ( -0.000 -9.138 10.956) 14.267 41.122 ( -0.000 -2.010 0.151) 2.016 ======================= Grid point 145 (127/266) ======================= q-point: (-0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.284 ( 4.548 -8.018 -0.000) 9.219 3.487 ( 2.449 -8.853 -0.000) 9.185 3.564 ( -3.234 -7.705 -0.000) 8.356 4.386 ( 4.501 -0.625 0.000) 4.544 4.517 ( -10.417 -0.245 -0.000) 10.420 5.354 ( 5.466 13.702 0.000) 14.751 5.902 ( -18.165 24.452 0.000) 30.461 6.438 ( 20.071 16.556 0.000) 26.018 6.859 ( -5.807 2.155 -0.000) 6.194 8.623 ( -1.462 3.383 0.000) 3.686 8.625 ( 7.622 7.911 0.000) 10.985 9.214 ( -17.031 17.155 0.000) 24.174 10.058 ( 21.292 -9.571 0.000) 23.344 11.549 ( -1.609 21.185 0.000) 21.246 12.174 ( -5.009 9.969 0.000) 11.157 13.410 ( 2.143 -32.124 -0.000) 32.196 16.743 ( -0.037 6.836 0.000) 6.836 19.882 ( 0.002 19.614 0.000) 19.614 22.249 ( 1.017 14.479 0.000) 14.515 29.101 ( -0.980 -5.280 -0.000) 5.370 41.048 ( -0.202 4.498 0.000) 4.502 ======================= Grid point 146 (128/266) ======================= q-point: ( 0.13 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( 12.098 17.217 2.028) 21.140 2.870 ( 3.512 8.664 -6.190) 11.212 3.077 ( 17.472 16.423 2.862) 24.149 3.605 ( 10.513 2.733 -0.553) 10.877 4.056 ( 18.784 9.913 15.125) 26.074 5.345 ( 1.241 -3.848 -6.702) 7.827 5.769 ( -9.113 -6.480 -12.723) 16.938 6.421 ( 3.474 6.006 0.341) 6.946 6.923 ( 5.280 -5.794 -1.575) 7.996 7.756 ( 17.637 1.766 -1.595) 17.797 8.705 ( -8.285 8.976 0.293) 12.219 9.505 ( 0.800 16.963 -8.552) 19.014 10.445 ( -1.104 -12.862 22.333) 25.795 12.333 ( 2.236 -1.766 0.774) 2.952 12.583 ( -5.195 29.700 -7.776) 31.138 13.042 ( -7.044 11.617 10.577) 17.218 15.399 ( 29.812 -17.906 -0.084) 34.777 20.518 ( -6.219 -17.515 -0.657) 18.598 23.057 ( -10.381 -24.632 7.058) 27.646 29.442 ( -12.269 15.255 -4.401) 20.066 41.215 ( 0.760 -2.697 -0.871) 2.934 ======================= Grid point 147 (129/266) ======================= q-point: ( 0.13 -0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( -7.153 6.953 -10.118) 14.208 2.973 ( -7.389 14.511 12.374) 20.452 3.310 ( -6.858 17.995 -4.357) 19.744 3.790 ( -8.011 4.331 2.646) 9.484 4.539 ( -26.569 -2.045 -9.190) 28.188 5.354 ( 4.975 -8.194 5.343) 10.974 5.676 ( -4.401 -13.365 8.128) 16.249 6.505 ( -4.571 3.501 -1.611) 5.979 7.011 ( -3.142 -8.145 0.233) 8.733 8.115 ( -17.613 0.307 2.855) 17.846 8.599 ( 2.169 1.390 -1.610) 3.038 9.489 ( 2.547 16.422 6.953) 18.014 10.405 ( 3.066 -14.457 -22.804) 27.174 12.235 ( 11.110 -6.238 12.023) 17.519 12.559 ( -2.818 23.270 4.247) 23.822 12.911 ( 6.237 7.135 -12.280) 15.511 15.975 ( -26.839 -15.386 0.314) 30.938 20.406 ( 4.728 -17.100 0.228) 17.743 22.854 ( 9.365 -20.932 -4.515) 23.372 29.232 ( 8.618 13.230 2.441) 15.977 41.212 ( 0.855 -3.567 0.625) 3.721 ======================= Grid point 148 (130/266) ======================= q-point: (-0.33 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.999 ( 5.708 -7.501 -0.000) 9.425 3.205 ( 2.066 -14.521 -0.000) 14.667 3.445 ( 0.240 -8.567 -0.000) 8.570 4.200 ( 8.865 -3.068 0.000) 9.381 4.792 ( -12.903 2.731 -0.000) 13.189 5.457 ( 12.228 12.287 0.000) 17.334 6.383 ( 20.854 19.525 0.000) 28.567 6.532 ( -3.103 9.474 0.000) 9.969 7.064 ( -3.103 10.665 0.000) 11.107 8.627 ( 4.997 3.323 0.000) 6.001 8.741 ( 1.997 7.206 0.000) 7.477 9.472 ( 10.732 -15.183 -0.000) 18.593 9.847 ( -12.463 14.298 0.000) 18.967 12.119 ( -8.398 17.797 0.000) 19.679 12.444 ( -4.508 6.585 0.000) 7.980 12.735 ( 4.265 -23.318 -0.000) 23.705 16.802 ( 11.579 10.964 0.000) 15.946 20.282 ( -1.480 17.218 0.000) 17.281 22.578 ( -2.240 16.289 0.000) 16.443 29.010 ( -3.323 -8.553 -0.000) 9.176 41.161 ( -1.221 4.680 0.000) 4.837 ======================= Grid point 149 (131/266) ======================= q-point: (-0.33 -0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -6.734 -16.021 3.428) 17.713 2.257 ( -15.371 -14.475 -3.778) 21.449 2.891 ( -9.224 -1.056 -1.715) 9.441 3.161 ( -3.589 -5.129 -10.616) 12.324 4.098 ( -2.206 -28.639 -18.569) 34.203 5.445 ( 9.387 -6.789 17.228) 20.761 5.653 ( 6.988 -10.891 10.537) 16.687 6.196 ( -5.776 -4.831 14.891) 16.686 6.727 ( -4.578 -0.735 -12.176) 13.029 7.010 ( -13.663 -6.420 5.953) 16.227 8.773 ( 1.562 -23.306 24.623) 33.940 9.513 ( 5.621 -11.777 -3.904) 13.622 10.962 ( -0.169 5.639 -22.689) 23.380 12.137 ( -2.679 -19.625 5.124) 20.459 12.959 ( 10.036 -23.116 -12.630) 28.189 13.548 ( 8.542 -10.006 -8.689) 15.767 14.232 ( -26.928 12.630 -6.500) 30.445 20.712 ( 3.584 17.738 2.633) 18.287 23.717 ( 7.997 42.565 -15.942) 46.151 29.732 ( 7.897 -15.574 15.267) 23.195 41.106 ( -2.376 -1.196 0.556) 2.718 ======================= Grid point 150 (132/266) ======================= q-point: ( 0.21 -0.46 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.068 ( -5.858 6.046 -6.744) 10.787 3.376 ( -4.199 10.031 7.916) 13.451 3.673 ( 1.168 11.849 -4.580) 12.757 4.034 ( -7.463 4.470 4.600) 9.841 4.886 ( -16.596 -7.412 -7.468) 19.650 5.043 ( 8.998 -6.268 3.657) 11.560 5.600 ( -12.091 -9.457 9.714) 18.166 6.429 ( 4.107 -13.742 -9.333) 17.112 6.923 ( 2.078 -1.621 7.582) 8.027 8.380 ( -13.524 -5.514 -2.042) 14.747 8.517 ( 1.628 -4.312 -0.845) 4.686 9.714 ( 7.658 11.385 8.829) 16.316 9.999 ( 4.203 -12.743 -22.099) 25.854 11.722 ( 17.704 -12.225 9.713) 23.605 12.475 ( 4.981 -11.087 -2.125) 12.339 13.458 ( 4.320 37.843 -1.992) 38.141 16.252 ( -22.810 -8.136 0.034) 24.218 19.930 ( 2.420 -20.924 0.003) 21.064 22.324 ( 4.209 -16.649 -1.219) 17.216 29.270 ( 7.553 6.895 1.242) 10.302 41.101 ( 2.098 -3.918 0.251) 4.451 ======================= Grid point 152 (133/266) ======================= q-point: (-0.26 -0.24 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 730 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -11.148 -11.819 3.490) 16.618 2.413 ( -22.202 -16.531 -14.083) 31.057 2.932 ( -1.087 -2.884 -10.446) 10.891 3.265 ( -11.930 -4.365 4.158) 13.366 3.700 ( -17.253 -21.822 -22.227) 35.607 5.212 ( -1.149 -4.059 9.252) 10.168 5.599 ( -7.122 7.887 8.144) 13.388 6.210 ( -0.447 -0.401 12.539) 12.553 6.852 ( -10.319 -0.839 -1.847) 10.517 7.296 ( -16.392 0.934 5.168) 17.213 8.328 ( -4.482 -18.525 19.000) 26.913 9.194 ( 3.877 -9.910 -6.494) 12.466 10.925 ( -4.936 -12.712 -15.925) 20.965 11.868 ( -3.668 -10.008 0.761) 10.687 12.316 ( 8.421 -20.399 0.526) 22.076 13.347 ( 6.733 4.826 -13.779) 16.077 15.272 ( -29.015 27.989 -1.218) 40.333 20.850 ( 5.178 5.201 2.962) 7.914 24.248 ( 20.779 34.970 -21.083) 45.817 29.126 ( 9.514 -22.949 10.574) 27.000 41.176 ( -4.025 1.130 2.137) 4.695 ======================= Grid point 153 (134/266) ======================= q-point: (-0.26 0.26 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( 5.364 -3.428 -0.000) 6.366 2.787 ( 5.988 -18.457 -0.000) 19.404 3.163 ( 7.922 -10.489 -0.000) 13.144 3.944 ( 9.360 -3.271 0.000) 9.915 4.999 ( 9.017 4.193 0.000) 9.944 5.421 ( 2.240 6.628 0.000) 6.996 6.411 ( 18.692 21.015 0.000) 28.125 6.501 ( 6.356 -4.069 -0.000) 7.547 7.344 ( 3.964 15.224 0.000) 15.731 8.522 ( 5.476 -3.622 -0.000) 6.565 8.667 ( 20.312 4.431 0.000) 20.789 9.087 ( -5.770 -16.349 -0.000) 17.337 10.322 ( -8.287 12.092 0.000) 14.659 11.904 ( 1.335 -30.582 -0.000) 30.611 12.622 ( -3.732 2.562 0.000) 4.527 12.845 ( 1.777 21.845 0.000) 21.917 16.774 ( 17.652 16.532 0.000) 24.184 20.618 ( -2.287 10.859 0.000) 11.097 22.996 ( -7.139 14.528 0.000) 16.188 28.860 ( -2.870 -12.413 -0.000) 12.740 41.274 ( -1.206 3.647 0.000) 3.841 ======================= Grid point 155 (135/266) ======================= q-point: ( 0.28 -0.53 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.317 ( -6.462 5.209 -3.679) 9.079 3.564 ( -1.659 3.741 3.226) 5.211 3.790 ( 4.476 5.823 -2.521) 7.765 4.257 ( -4.218 4.702 4.973) 8.040 4.767 ( 7.130 -3.091 -1.897) 7.999 4.941 ( -7.906 -10.304 -1.967) 13.135 5.689 ( -6.333 -11.602 7.804) 15.350 5.897 ( 7.087 -13.078 -7.632) 16.718 6.816 ( 4.077 -2.446 9.365) 10.503 8.387 ( -1.066 -4.991 -2.945) 5.892 8.486 ( -10.072 -7.566 -5.405) 13.708 9.274 ( 17.563 -14.948 -7.402) 24.222 10.122 ( -3.840 12.226 -0.153) 12.816 11.161 ( 14.234 -8.259 10.306) 19.417 12.135 ( 3.793 -11.977 -4.114) 13.219 14.066 ( 3.851 28.307 -0.275) 28.569 16.502 ( -13.010 -3.972 0.007) 13.603 19.496 ( 0.231 -17.623 -0.012) 17.625 22.004 ( 0.746 -9.847 -0.192) 9.877 29.237 ( 4.806 2.825 0.402) 5.589 40.986 ( 1.700 -3.109 0.079) 3.544 ======================= Grid point 156 (136/266) ======================= q-point: (-0.18 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 13.647 -15.948 -0.000) 20.990 2.465 ( 22.090 -4.829 0.000) 22.612 2.888 ( -1.461 -4.259 -0.000) 4.503 3.691 ( 9.748 -2.561 0.000) 10.079 4.509 ( 39.371 1.281 0.000) 39.392 5.710 ( -14.796 3.466 -0.000) 15.197 6.237 ( 9.004 -4.544 0.000) 10.086 6.431 ( 17.890 15.560 0.000) 23.710 7.509 ( 7.495 10.796 0.000) 13.143 8.252 ( 8.930 -8.202 -0.000) 12.126 8.306 ( 16.757 2.998 0.000) 17.023 8.832 ( 2.870 -14.502 -0.000) 14.783 10.664 ( 0.216 10.257 0.000) 10.259 11.286 ( 0.449 -22.740 -0.000) 22.745 12.703 ( -2.137 -0.140 -0.000) 2.142 13.061 ( 10.428 9.921 0.000) 14.394 16.812 ( 14.735 19.042 0.000) 24.078 20.791 ( -1.257 2.050 0.000) 2.405 23.433 ( -11.485 8.793 0.000) 14.465 28.622 ( -0.203 -12.876 -0.000) 12.878 41.353 ( -0.735 2.152 0.000) 2.274 ======================= Grid point 157 (137/266) ======================= q-point: (-0.18 -0.32 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -16.042 -2.568 -3.901) 16.708 2.401 ( -16.026 -15.944 -11.592) 25.405 2.881 ( 1.032 -2.218 -2.395) 3.424 3.333 ( -7.292 -5.846 -0.743) 9.376 4.051 ( -36.575 -3.271 -14.154) 39.354 5.291 ( -9.342 -1.184 18.480) 20.741 6.118 ( -6.223 9.661 8.863) 14.513 6.278 ( -11.633 8.871 -8.328) 16.834 7.078 ( -17.561 -6.255 -4.654) 19.214 7.630 ( -8.559 9.377 12.516) 17.829 8.320 ( -16.485 -5.285 11.592) 20.834 8.903 ( 3.403 -11.735 -14.669) 19.091 10.804 ( -11.752 -12.272 -6.763) 18.288 11.777 ( 3.011 -4.873 -3.102) 6.514 11.879 ( 3.584 -6.115 10.680) 12.818 13.407 ( -0.375 5.528 -11.011) 12.326 16.315 ( -19.171 21.323 6.420) 29.384 20.804 ( 1.472 -0.616 0.848) 1.807 24.282 ( 27.199 16.652 -20.214) 37.758 28.595 ( 0.740 -15.251 2.154) 15.421 41.277 ( -2.525 1.460 2.832) 4.065 ======================= Grid point 158 (138/266) ======================= q-point: ( 0.36 -0.61 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.488 ( -1.249 1.649 -0.982) 2.290 3.632 ( -0.663 0.131 0.952) 1.167 3.780 ( 0.430 1.549 -0.126) 1.612 4.365 ( 0.656 1.995 0.468) 2.151 4.624 ( 3.251 0.007 -1.701) 3.669 4.863 ( -3.135 -6.489 0.972) 7.272 5.304 ( 4.517 -5.558 -7.002) 10.016 5.885 ( -4.934 -3.842 7.074) 9.442 6.712 ( 1.540 -0.604 8.275) 8.439 8.375 ( -0.104 1.521 -4.069) 4.345 8.500 ( -4.538 -10.193 -10.411) 15.261 8.738 ( 5.341 -3.231 -0.982) 6.319 10.432 ( -4.981 4.613 -0.088) 6.790 10.863 ( 1.738 -2.675 13.971) 14.331 11.889 ( 1.223 -5.287 -6.753) 8.663 14.437 ( -0.171 10.768 0.131) 10.770 16.584 ( 0.006 -1.218 -0.000) 1.218 19.231 ( -0.009 -7.175 0.001) 7.175 21.868 ( -0.049 -3.240 0.002) 3.240 29.220 ( 0.177 0.835 -0.003) 0.854 40.922 ( 0.032 -1.145 0.005) 1.146 ======================= Grid point 159 (139/266) ======================= q-point: ( 0.36 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 0.000 4.833 1.203) 4.981 2.672 ( -0.000 -2.608 -0.869) 2.749 2.935 ( -0.000 -4.985 14.270) 15.115 3.765 ( 0.000 13.277 -24.223) 27.623 4.879 ( -0.000 0.924 8.935) 8.983 5.553 ( 0.000 -6.400 -8.078) 10.306 6.217 ( -0.000 -3.086 22.882) 23.090 6.887 ( 0.000 9.593 2.561) 9.929 7.267 ( -0.000 -3.652 -3.072) 4.772 7.328 ( 0.000 10.270 -27.608) 29.456 9.572 ( -0.000 -14.669 28.045) 31.649 10.190 ( 0.000 4.260 0.450) 4.284 10.296 ( 0.000 12.524 -14.601) 19.237 12.267 ( 0.000 3.220 0.100) 3.222 13.585 ( -0.000 -1.213 0.003) 1.213 14.373 ( 0.000 9.398 1.032) 9.454 15.694 ( 0.000 22.296 1.075) 22.322 19.145 ( -0.000 -15.558 0.152) 15.559 21.864 ( -0.000 -9.273 0.156) 9.275 30.304 ( -0.000 -1.474 -1.275) 1.949 41.180 ( 0.000 0.456 -0.028) 0.457 ======================= Grid point 160 (140/266) ======================= q-point: (-0.11 -0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( -9.749 -0.000 -8.301) 12.805 2.654 ( -22.596 -0.000 -0.822) 22.611 2.808 ( 2.582 0.000 1.990) 3.260 3.407 ( -6.354 -0.000 -3.461) 7.236 4.768 ( -33.319 -0.000 -5.997) 33.855 5.381 ( 1.615 0.000 12.030) 12.138 6.286 ( -11.457 0.000 6.531) 13.188 6.796 ( -15.788 -0.000 -9.407) 18.378 7.367 ( -20.951 -0.000 -8.132) 22.474 8.019 ( -10.040 0.000 14.954) 18.012 8.468 ( -2.682 -0.000 -1.687) 3.168 8.753 ( -6.374 -0.000 -10.807) 12.547 10.939 ( -13.219 -0.000 -3.526) 13.681 11.574 ( 8.459 0.000 13.553) 15.976 11.824 ( 0.873 -0.000 -2.477) 2.627 13.520 ( -3.425 -0.000 -5.832) 6.764 16.868 ( -15.444 0.000 5.869) 16.522 20.803 ( -0.911 -0.000 0.018) 0.912 23.927 ( 22.447 -0.000 -14.740) 26.854 28.478 ( -2.739 -0.000 0.017) 2.739 41.326 ( -0.880 0.000 1.844) 2.043 ======================= Grid point 161 (141/266) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 21.097 0.000 0.000) 21.097 1.847 ( 29.539 0.000 0.000) 29.539 2.931 ( -3.948 -0.000 -0.000) 3.948 3.454 ( 10.637 0.000 0.000) 10.637 3.578 ( 51.471 0.000 0.000) 51.471 6.015 ( 6.933 0.000 0.000) 6.933 6.072 ( -16.004 -0.000 -0.000) 16.004 6.261 ( 16.853 0.000 0.000) 16.853 7.411 ( 11.809 0.000 0.000) 11.809 7.897 ( 13.053 0.000 0.000) 13.053 8.209 ( 7.376 0.000 0.000) 7.376 8.430 ( 10.161 0.000 0.000) 10.161 10.538 ( 15.045 0.000 0.000) 15.045 11.219 ( -11.003 -0.000 -0.000) 11.003 12.724 ( -0.903 -0.000 -0.000) 0.903 12.865 ( 17.288 0.000 0.000) 17.288 16.863 ( 6.324 0.000 0.000) 6.324 20.785 ( 0.887 0.000 0.000) 0.887 23.784 ( -13.209 -0.000 -0.000) 13.209 28.423 ( 2.654 0.000 0.000) 2.654 41.391 ( -0.542 -0.000 -0.000) 0.542 ======================= Grid point 162 (142/266) ======================= q-point: (-0.57 -0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( -18.093 0.862 -1.211) 18.154 2.697 ( -5.439 -7.897 6.165) 11.400 2.857 ( -8.527 -2.835 8.959) 12.689 3.930 ( 1.622 3.754 -27.115) 27.421 4.840 ( 1.231 -2.170 12.775) 13.016 5.425 ( 3.170 -3.775 -4.047) 6.378 5.951 ( 12.309 -9.595 18.293) 24.046 6.963 ( 3.306 -4.702 -3.805) 6.893 7.106 ( 1.246 -0.644 4.181) 4.410 7.587 ( -10.313 0.186 -24.670) 26.740 9.269 ( 2.096 -13.105 28.863) 31.768 10.055 ( 14.136 -1.496 -0.646) 14.230 10.575 ( -2.551 12.274 -14.535) 19.194 12.320 ( 2.727 3.529 -1.650) 4.755 13.749 ( -15.719 1.301 -0.043) 15.773 14.289 ( 15.210 -2.541 -1.838) 15.530 15.644 ( 6.330 -19.508 0.348) 20.512 19.154 ( 0.014 15.584 -0.188) 15.585 21.870 ( 0.049 9.932 -0.089) 9.933 30.186 ( 5.337 -4.578 1.154) 7.125 41.172 ( 0.656 -0.470 0.037) 0.808 ======================= Grid point 163 (143/266) ======================= q-point: (-0.57 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.401 ( 6.325 -2.820 -3.050) 7.567 3.612 ( 0.214 -1.397 4.810) 5.013 3.883 ( -7.796 -2.995 -3.073) 8.898 4.319 ( 5.382 -0.860 0.778) 5.505 4.665 ( 0.597 6.599 1.424) 6.778 4.838 ( -1.418 -0.926 -1.820) 2.486 5.404 ( -5.006 12.961 -4.354) 14.560 5.836 ( -1.093 -4.811 4.207) 6.484 6.756 ( -2.555 3.228 8.021) 9.016 8.313 ( 4.273 2.291 -6.624) 8.209 8.388 ( 3.310 0.821 -0.020) 3.410 9.021 ( -17.334 8.755 -9.582) 21.655 10.364 ( 1.246 -10.195 7.917) 12.968 11.056 ( -16.161 2.380 4.324) 16.898 11.926 ( -3.036 7.387 -4.037) 8.949 14.492 ( -5.485 -11.475 -0.036) 12.719 16.448 ( 13.238 1.281 0.005) 13.300 19.224 ( 0.704 7.459 -0.007) 7.492 21.867 ( 0.065 3.397 -0.036) 3.398 29.272 ( -4.875 -0.591 0.141) 4.913 40.941 ( -1.819 1.161 0.030) 2.158 ======================= Grid point 166 (144/266) ======================= q-point: (-0.50 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( 6.261 -5.079 -6.250) 10.201 3.535 ( 1.488 -5.738 9.557) 11.246 3.894 ( -5.732 -9.607 -6.247) 12.813 4.112 ( 9.988 -2.965 2.935) 10.824 4.716 ( 14.043 8.651 -2.383) 16.665 4.948 ( -9.828 2.873 0.028) 10.240 5.541 ( 4.077 -2.269 12.738) 13.566 6.099 ( -9.757 16.233 -13.475) 23.244 6.890 ( -2.940 2.669 8.572) 9.447 8.294 ( 8.958 2.129 -1.852) 9.392 8.416 ( -4.427 5.104 -1.397) 6.899 9.595 ( -13.302 13.846 -15.220) 24.502 10.101 ( -1.007 -13.987 9.707) 17.055 11.520 ( -19.770 6.764 -1.772) 20.971 12.258 ( -9.556 10.189 1.876) 14.094 14.183 ( -7.543 -30.939 -0.851) 31.856 16.124 ( 23.788 4.485 0.016) 24.207 19.504 ( -0.672 19.181 -0.032) 19.193 22.029 ( -1.646 11.540 -0.382) 11.663 29.374 ( -8.573 -3.312 0.850) 9.229 41.031 ( -2.655 2.786 0.149) 3.852 ======================= Grid point 167 (145/266) ======================= q-point: (-0.50 -0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( -7.286 -15.700 12.211) 21.183 3.060 ( -25.280 -1.108 -3.511) 25.546 3.185 ( -18.717 2.376 2.433) 19.024 3.863 ( 2.710 -4.964 -24.320) 24.969 4.761 ( 2.238 -1.957 9.700) 10.146 5.253 ( 7.600 -2.372 6.800) 10.470 5.384 ( 16.016 -15.046 8.945) 23.726 6.676 ( 2.299 -11.984 0.392) 12.209 7.180 ( -4.161 2.067 -2.586) 5.317 7.731 ( -11.359 -6.762 -19.074) 23.207 8.911 ( 7.007 -13.289 25.892) 29.934 9.670 ( 15.489 -3.802 1.470) 16.016 10.908 ( -3.804 13.435 -18.053) 22.823 12.288 ( 6.389 3.243 1.501) 7.321 13.691 ( 25.966 -11.854 -4.106) 28.838 14.233 ( -24.063 -0.499 1.271) 24.101 14.892 ( 4.897 -31.858 -1.606) 32.272 19.611 ( 2.305 26.971 -0.151) 27.070 22.223 ( 2.903 25.293 -1.100) 25.483 29.908 ( 8.724 -8.279 2.947) 12.383 41.146 ( 0.798 -0.204 0.178) 0.843 ======================= Grid point 170 (146/266) ======================= q-point: (-0.42 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( -13.822 -15.332 11.131) 23.453 3.465 ( -15.823 -4.550 -6.305) 17.630 3.576 ( -12.927 -1.801 -6.673) 14.658 3.681 ( -4.711 -9.313 -8.449) 13.428 4.706 ( 3.742 -2.717 -2.144) 5.097 4.844 ( 3.531 -0.350 10.898) 11.461 5.117 ( 3.577 -0.669 9.882) 10.531 6.462 ( -3.734 -9.432 2.932) 10.560 7.324 ( -4.192 1.889 -17.489) 18.083 7.839 ( -14.757 -6.111 -4.706) 16.651 8.499 ( 6.120 -10.506 20.328) 23.687 9.348 ( 8.760 -3.122 4.977) 10.548 11.246 ( -1.948 12.741 -24.387) 27.583 12.252 ( 2.422 2.753 9.785) 10.449 12.816 ( 30.537 -15.830 -2.397) 34.479 13.851 ( 4.861 -32.986 -2.409) 33.429 15.126 ( -28.784 10.156 -0.457) 30.527 20.073 ( 4.394 23.533 0.107) 23.940 22.702 ( 8.996 30.944 -2.984) 32.363 29.517 ( 8.731 -11.752 3.411) 15.032 41.144 ( 0.460 1.368 0.413) 1.501 ======================= Grid point 171 (147/266) ======================= q-point: (-0.42 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( 4.575 -5.795 -9.363) 11.924 3.259 ( 7.134 -12.909 14.841) 20.923 3.666 ( 4.498 -15.540 -4.548) 16.805 3.855 ( 9.752 -2.093 0.891) 10.014 4.491 ( 18.653 2.653 -9.991) 21.326 5.230 ( -7.717 3.265 4.781) 9.648 5.495 ( -2.097 3.885 12.964) 13.695 6.470 ( -0.396 7.239 -9.759) 12.158 6.937 ( 0.621 -0.166 5.251) 5.290 8.095 ( 14.445 1.133 -1.383) 14.555 8.617 ( -8.516 0.006 0.782) 8.552 9.819 ( -2.844 -15.682 12.514) 20.264 10.092 ( -4.274 15.308 -22.788) 27.783 12.055 ( -13.269 9.769 -2.320) 16.640 12.632 ( -11.508 2.757 5.154) 12.907 13.564 ( -5.849 -40.560 -3.572) 41.135 15.720 ( 29.074 9.632 0.025) 30.628 19.992 ( -3.726 22.439 0.031) 22.746 22.427 ( -5.793 19.812 -2.017) 20.740 29.454 ( -10.488 -8.293 2.154) 13.543 41.142 ( -1.740 3.150 0.379) 3.618 ======================= Grid point 172 (148/266) ======================= q-point: ( 0.12 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 0.000 18.508 0.000) 18.508 2.170 ( 0.000 28.823 0.000) 28.823 2.880 ( -0.000 -2.869 -0.000) 2.869 3.192 ( 0.000 5.307 0.000) 5.307 3.395 ( 0.000 44.098 0.000) 44.098 5.697 ( 0.000 23.539 0.000) 23.539 6.284 ( -0.000 -1.378 -0.000) 1.378 6.341 ( -0.000 -10.784 -0.000) 10.784 6.895 ( -0.000 -0.635 -0.000) 0.635 7.116 ( 0.000 7.420 0.000) 7.420 9.473 ( 0.000 14.370 0.000) 14.370 9.487 ( 0.000 20.218 0.000) 20.218 10.066 ( -0.000 -6.653 -0.000) 6.653 11.965 ( 0.000 5.677 0.000) 5.677 12.771 ( 0.000 46.254 0.000) 46.254 13.299 ( 0.000 16.913 0.000) 16.913 13.791 ( -0.000 -3.859 -0.000) 3.859 20.851 ( -0.000 -23.681 -0.000) 23.681 23.316 ( -0.000 -27.412 -0.000) 27.412 30.312 ( 0.000 1.726 0.000) 1.726 41.083 ( 0.000 2.109 0.000) 2.109 ======================= Grid point 173 (149/266) ======================= q-point: ( 0.12 -0.62 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 377 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.099 ( 0.000 11.364 0.000) 11.364 3.255 ( 0.000 12.690 -0.000) 12.690 3.602 ( 0.000 1.476 -0.000) 1.476 3.862 ( 0.000 7.706 0.000) 7.706 4.869 ( 0.000 -3.036 0.000) 3.036 5.564 ( 0.000 -9.561 -0.000) 9.561 6.536 ( 0.000 -19.255 -0.000) 19.255 6.686 ( -0.000 -25.155 0.000) 25.155 6.786 ( -0.000 -6.173 -0.000) 6.173 8.678 ( 0.000 -4.038 0.000) 4.038 8.853 ( 0.000 3.188 -0.000) 3.188 9.256 ( 0.000 5.919 0.000) 5.919 10.883 ( 0.000 -3.954 0.000) 3.954 10.951 ( 0.000 -26.261 -0.000) 26.261 12.692 ( 0.000 32.538 0.000) 32.538 12.815 ( 0.000 -18.399 0.000) 18.399 16.920 ( 0.000 -10.281 0.000) 10.281 20.267 ( 0.000 -17.254 0.000) 17.254 22.576 ( 0.000 -16.713 0.000) 16.713 28.966 ( 0.000 7.696 0.000) 7.696 41.145 ( 0.000 -4.799 0.000) 4.799 ======================= Grid point 176 (150/266) ======================= q-point: (-0.35 -0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( -17.416 -11.170 8.990) 22.559 3.377 ( 1.445 -11.602 -9.710) 15.198 3.471 ( -2.931 -14.121 -3.327) 14.801 3.806 ( -8.645 -5.093 -5.880) 11.630 4.690 ( -6.939 2.888 5.279) 9.184 5.134 ( -8.692 1.427 1.890) 9.009 5.343 ( -13.248 27.121 6.273) 30.829 6.461 ( -9.229 -2.888 1.192) 9.743 7.370 ( 1.860 1.412 -15.582) 15.756 8.070 ( -16.386 -6.698 -0.648) 17.714 8.388 ( -8.743 0.263 14.095) 16.588 9.193 ( 3.275 -0.147 3.901) 5.096 11.492 ( -1.250 7.993 -25.662) 26.907 11.863 ( 29.592 -16.419 4.881) 34.192 12.263 ( -5.669 -7.626 12.393) 15.617 13.263 ( 7.675 -7.889 -4.726) 11.978 15.958 ( -26.896 13.969 0.389) 30.309 20.395 ( 4.158 16.639 0.199) 17.152 23.075 ( 14.335 27.626 -4.366) 31.429 29.111 ( 5.162 -13.005 2.389) 14.194 41.183 ( 0.257 2.923 0.559) 2.988 ======================= Grid point 177 (151/266) ======================= q-point: ( 0.19 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 730 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.264 ( 3.745 8.131 1.695) 9.111 3.430 ( 4.708 6.756 2.211) 8.526 3.675 ( -2.261 7.212 -0.722) 7.592 4.027 ( 1.139 8.144 -1.135) 8.301 4.832 ( -2.801 -4.787 -5.209) 7.609 5.263 ( 6.706 -11.201 5.776) 14.276 5.740 ( 20.152 -18.706 -10.472) 29.422 6.493 ( -13.650 -18.570 12.551) 26.243 6.717 ( -1.390 -2.814 -4.498) 5.485 8.542 ( 1.757 -5.957 -0.166) 6.213 8.710 ( 12.711 -4.440 3.394) 13.886 9.358 ( -5.189 0.710 -12.572) 13.619 10.478 ( -2.213 -17.092 28.117) 32.979 11.034 ( -20.371 -3.146 -13.884) 24.853 12.454 ( 0.437 -15.549 -2.804) 15.806 13.419 ( -3.270 34.209 1.887) 34.416 16.615 ( 12.562 -7.154 -0.033) 14.456 19.894 ( -1.163 -19.936 0.001) 19.970 22.276 ( -2.664 -15.384 0.836) 15.635 29.137 ( -3.467 5.805 -0.814) 6.811 41.061 ( -1.294 -4.320 -0.166) 4.512 ======================= Grid point 178 (152/266) ======================= q-point: ( 0.19 -0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -22.705 11.704 -0.000) 25.544 2.654 ( -1.178 13.395 0.000) 13.447 2.907 ( -8.464 -0.151 -0.000) 8.466 3.390 ( -2.231 11.759 0.000) 11.969 4.150 ( 2.203 28.720 0.000) 28.805 5.997 ( 10.608 6.018 0.000) 12.197 6.152 ( -2.757 -11.063 -0.000) 11.402 6.157 ( 3.755 7.218 0.000) 8.137 7.032 ( 2.359 10.643 0.000) 10.902 7.347 ( -7.933 7.537 0.000) 10.942 9.552 ( 16.130 10.671 0.000) 19.341 9.892 ( -2.187 16.853 0.000) 16.994 9.916 ( -1.939 -10.258 -0.000) 10.440 12.090 ( -1.848 3.192 0.000) 3.688 13.590 ( 8.433 17.572 0.000) 19.490 13.731 ( 0.277 40.108 0.000) 40.109 14.005 ( -18.760 6.380 -0.000) 19.816 20.262 ( 3.122 -28.999 -0.000) 29.167 22.705 ( 2.730 -27.436 -0.000) 27.571 30.243 ( 9.225 2.972 0.000) 9.692 41.141 ( -1.269 1.108 0.000) 1.685 ======================= Grid point 179 (153/266) ======================= q-point: (-0.27 -0.48 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( -12.847 -7.407 4.957) 15.636 3.073 ( 0.988 -13.669 -2.826) 13.993 3.232 ( -2.998 -11.952 2.838) 12.645 3.861 ( -6.767 -2.781 -14.720) 16.438 4.841 ( 1.060 3.305 14.072) 14.494 5.474 ( -16.045 4.984 -7.330) 18.331 6.245 ( -17.526 17.295 8.376) 26.009 6.787 ( -13.070 16.545 -8.841) 22.863 7.395 ( 1.987 6.876 -1.272) 7.270 8.203 ( -13.620 -7.370 -1.631) 15.571 8.698 ( -11.633 2.551 2.807) 12.236 9.182 ( -1.498 -0.722 -3.875) 4.216 11.009 ( 22.866 -12.558 20.609) 33.246 11.595 ( -5.788 -6.490 -10.818) 13.880 12.167 ( -2.939 -5.835 -9.271) 11.342 13.233 ( 4.813 13.105 2.123) 14.121 16.729 ( -19.335 14.315 0.792) 24.070 20.612 ( 1.884 10.867 0.093) 11.029 23.258 ( 14.911 19.360 -4.265) 24.806 28.802 ( 0.859 -10.798 0.950) 10.874 41.245 ( 0.166 3.282 0.455) 3.318 ======================= Grid point 181 (154/266) ======================= q-point: ( 0.26 -0.26 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( -2.207 3.923 0.000) 4.501 2.933 ( -29.636 6.022 -0.000) 30.242 3.165 ( -16.399 -2.078 -0.000) 16.530 3.726 ( -0.800 16.093 0.000) 16.113 4.441 ( 8.566 10.766 0.000) 13.758 5.719 ( 11.373 -5.122 0.000) 12.473 5.971 ( -2.724 -13.075 -0.000) 13.356 6.343 ( 11.756 21.197 0.000) 24.239 7.097 ( 3.974 1.456 0.000) 4.232 7.732 ( -9.603 10.810 0.000) 14.460 9.304 ( 16.360 -1.498 0.000) 16.428 9.713 ( 5.805 -6.106 -0.000) 8.425 10.272 ( -3.582 14.665 0.000) 15.097 12.118 ( 3.807 0.143 0.000) 3.809 13.605 ( 21.039 11.576 0.000) 24.013 14.273 ( -26.042 -2.333 -0.000) 26.147 14.756 ( 5.772 40.303 0.000) 40.714 19.603 ( 2.226 -27.525 -0.000) 27.615 22.155 ( 1.995 -19.659 -0.000) 19.760 30.087 ( 11.322 2.001 0.000) 11.497 41.158 ( 0.616 -0.239 0.000) 0.660 ======================= Grid point 182 (155/266) ======================= q-point: ( 0.26 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.302 ( 5.977 5.767 -1.454) 8.432 3.418 ( 4.276 3.383 4.714) 7.208 3.961 ( -4.904 10.290 -0.453) 11.407 4.079 ( 6.146 4.318 1.078) 7.588 4.686 ( 4.971 -9.133 -5.998) 12.004 5.003 ( -0.888 -4.104 5.204) 6.687 5.271 ( 7.117 1.942 -13.789) 15.638 6.402 ( -12.637 -15.353 16.579) 25.889 6.735 ( -4.125 -1.523 -5.698) 7.198 8.339 ( 10.470 -3.872 2.184) 11.374 8.421 ( -2.049 -4.671 -0.610) 5.137 9.557 ( -10.993 2.806 -19.507) 22.567 10.273 ( -2.151 -9.355 27.065) 28.717 11.555 ( -30.995 1.481 1.414) 31.063 12.178 ( -2.600 -12.060 -6.680) 14.030 14.206 ( -8.098 29.905 1.308) 31.010 16.124 ( 23.782 -4.476 -0.019) 24.200 19.505 ( -0.704 -19.167 0.046) 19.180 22.039 ( -1.878 -12.202 0.548) 12.358 29.353 ( -7.969 3.912 -1.208) 8.960 41.028 ( -2.574 -2.669 -0.203) 3.713 ======================= Grid point 184 (156/266) ======================= q-point: (-0.20 -0.55 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( -3.632 -6.754 0.222) 7.672 2.813 ( 2.198 -8.207 -1.052) 8.561 3.200 ( -8.638 -3.864 10.889) 14.426 3.970 ( -6.040 -0.452 -20.796) 21.661 4.820 ( 3.591 1.060 15.216) 15.670 5.848 ( -9.588 3.952 -8.438) 13.370 6.646 ( -8.983 1.686 9.417) 13.123 7.288 ( -2.380 6.305 -7.235) 9.888 7.774 ( -4.464 25.971 0.637) 26.359 8.339 ( -11.517 -4.713 -1.959) 12.597 8.828 ( -0.063 -2.024 -3.285) 3.860 9.116 ( -0.679 -8.844 -18.161) 20.212 10.548 ( 6.852 -1.361 41.684) 42.265 11.491 ( -4.775 -11.232 -0.373) 12.211 12.200 ( -1.220 2.765 -24.674) 24.858 13.442 ( 1.397 10.700 5.762) 12.233 17.279 ( -9.984 9.366 0.647) 13.704 20.770 ( 0.042 6.015 0.010) 6.015 23.293 ( 10.486 9.605 -2.626) 14.460 28.632 ( -0.907 -6.038 0.146) 6.108 41.301 ( -0.003 2.156 0.218) 2.167 ======================= Grid point 185 (157/266) ======================= q-point: ( 0.34 0.16 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 730 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.285 ( 4.890 3.330 -4.083) 7.188 3.422 ( 0.905 1.620 5.078) 5.406 3.840 ( 16.432 0.018 -0.665) 16.446 4.137 ( 18.944 3.287 0.456) 19.232 4.542 ( -14.006 -1.582 1.381) 14.163 5.047 ( -6.429 -1.166 -0.866) 6.591 5.411 ( -2.722 8.268 -9.486) 12.875 6.446 ( -17.181 -6.989 10.579) 21.353 6.797 ( -4.186 -0.557 -2.354) 4.835 8.140 ( 9.407 0.929 0.800) 9.487 8.518 ( -15.337 -1.332 -1.219) 15.442 9.882 ( -9.079 7.575 -23.214) 26.052 10.123 ( -0.706 -8.657 25.811) 27.234 12.015 ( -5.551 -1.915 3.357) 6.764 12.375 ( -37.783 -0.418 -3.762) 37.972 14.898 ( -12.553 13.930 0.368) 18.755 15.499 ( 30.413 -1.660 0.060) 30.459 19.182 ( 1.106 -9.808 0.058) 9.870 21.866 ( 0.025 -5.463 0.101) 5.464 29.607 ( -11.091 1.522 -0.684) 11.216 41.053 ( -3.139 -0.718 -0.091) 3.221 ======================= Grid point 186 (158/266) ======================= q-point: ( 0.34 -0.34 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.940 ( -5.097 -0.002 -0.000) 5.097 3.483 ( -19.426 -2.119 -0.000) 19.542 3.607 ( -27.532 2.360 -0.000) 27.633 4.025 ( 2.152 13.355 0.000) 13.527 4.327 ( 10.901 -0.189 0.000) 10.902 5.374 ( 12.492 -4.146 0.000) 13.162 5.657 ( 2.567 -18.796 -0.000) 18.971 6.550 ( 13.288 23.724 0.000) 27.191 6.956 ( 3.876 -6.145 -0.000) 7.265 8.108 ( -7.191 8.158 0.000) 10.875 8.866 ( 17.280 -7.130 0.000) 18.693 9.441 ( 7.625 -6.441 -0.000) 9.981 10.653 ( -4.200 14.969 0.000) 15.547 11.924 ( 13.356 -1.270 0.000) 13.417 13.203 ( 32.001 2.302 0.000) 32.084 14.817 ( -30.767 -1.263 -0.000) 30.793 15.185 ( 11.789 16.731 0.000) 20.467 19.160 ( -0.814 -11.459 -0.000) 11.488 21.863 ( -0.025 -6.455 -0.000) 6.455 29.864 ( 11.977 -0.679 0.000) 11.996 41.113 ( 2.500 -0.614 0.000) 2.575 ======================= Grid point 187 (159/266) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( -1.771 -0.000 -0.481) 1.835 2.666 ( 3.083 0.000 0.458) 3.117 3.294 ( -2.453 0.000 11.230) 11.495 4.013 ( 2.547 -0.000 -21.886) 22.034 4.827 ( -4.763 0.000 13.404) 14.226 5.971 ( 2.097 -0.000 -8.214) 8.478 6.755 ( -0.298 0.000 9.881) 9.885 7.334 ( 3.509 0.000 0.145) 3.512 8.173 ( 3.738 -0.000 -3.586) 5.180 8.383 ( -5.092 -0.000 -0.139) 5.094 8.681 ( 7.704 -0.000 -11.344) 13.713 9.021 ( -0.498 -0.000 -9.734) 9.747 10.570 ( -5.898 0.000 40.786) 41.210 11.401 ( 1.061 0.000 0.011) 1.061 12.263 ( -1.524 -0.000 -27.505) 27.547 13.543 ( 0.600 0.000 6.700) 6.726 17.490 ( -0.905 -0.000 0.019) 0.905 20.836 ( 0.000 0.000 -0.000) 0.000 23.248 ( 3.486 0.000 -0.002) 3.486 28.580 ( -0.017 -0.000 0.000) 0.017 41.327 ( -0.263 -0.000 -0.005) 0.263 ======================= Grid point 188 (160/266) ======================= q-point: (-0.12 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 0.000 -0.000 -31.849) 31.849 0.739 ( 0.000 -0.000 -36.795) 36.795 1.226 ( 0.000 -0.000 -62.074) 62.074 2.939 ( -0.000 0.000 3.848) 3.848 3.032 ( -0.000 0.000 3.173) 3.173 4.817 ( 0.000 -0.000 -3.082) 3.082 5.696 ( 0.000 -0.000 -4.664) 4.664 6.612 ( -0.000 0.000 15.631) 15.631 6.705 ( -0.000 0.000 9.913) 9.913 7.222 ( -0.000 0.000 4.988) 4.988 7.789 ( -0.000 0.000 13.125) 13.125 8.992 ( 0.000 -0.000 -4.864) 4.864 10.041 ( 0.000 -0.000 -5.219) 5.219 11.599 ( -0.000 0.000 2.045) 2.045 11.923 ( 0.000 -0.000 -2.283) 2.283 13.925 ( 0.000 -0.000 -0.012) 0.012 15.675 ( 0.000 -0.000 -1.232) 1.232 20.753 ( -0.000 0.000 0.053) 0.053 26.544 ( -0.000 0.000 0.350) 0.350 28.331 ( 0.000 -0.000 -0.044) 0.044 41.003 ( -0.000 0.000 0.093) 0.093 ======================= Grid point 189 (161/266) ======================= q-point: ( 0.41 -0.41 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( -9.325 -4.117 -0.000) 10.193 3.819 ( -15.365 -2.013 -0.000) 15.497 4.016 ( 2.726 -1.358 0.000) 3.046 4.153 ( -12.357 -4.130 -0.000) 13.029 4.164 ( 6.244 8.801 0.000) 10.791 5.107 ( 7.268 -0.048 0.000) 7.268 5.148 ( 3.711 -19.539 -0.000) 19.888 6.753 ( 1.677 -6.715 -0.000) 6.921 6.768 ( 15.863 24.958 0.000) 29.573 8.345 ( -5.218 2.970 -0.000) 6.004 8.402 ( 10.439 -6.864 -0.000) 12.493 9.159 ( 8.448 -4.934 0.000) 9.783 11.053 ( -2.275 16.652 0.000) 16.807 11.610 ( 16.511 2.634 0.000) 16.719 12.483 ( 34.201 -4.586 0.000) 34.507 14.904 ( 12.076 -12.958 -0.000) 17.713 15.501 ( -30.103 1.800 -0.000) 30.157 19.183 ( -1.054 9.929 0.000) 9.985 21.869 ( -0.021 5.822 0.000) 5.822 29.590 ( 10.740 -3.167 0.000) 11.198 41.051 ( 3.119 0.498 0.000) 3.159 ======================= Grid point 194 (162/266) ======================= q-point: (-0.51 -0.49 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( -12.614 -6.263 -0.000) 14.084 3.797 ( 6.367 -5.053 -0.000) 8.129 3.836 ( 2.578 -7.828 -0.000) 8.241 4.288 ( -7.265 -5.899 -0.000) 9.358 4.291 ( -1.557 9.408 0.000) 9.536 4.946 ( -8.746 -1.757 -0.000) 8.920 5.146 ( -2.570 7.135 0.000) 7.584 6.658 ( -2.394 -2.543 -0.000) 3.493 6.871 ( 20.418 20.266 0.000) 28.769 8.339 ( -7.722 5.480 0.000) 9.469 8.466 ( -4.918 -0.558 -0.000) 4.950 8.916 ( 9.573 -0.173 0.000) 9.575 11.248 ( 22.105 8.848 0.000) 23.810 11.446 ( 12.068 10.675 0.000) 16.112 11.867 ( 8.355 0.134 0.000) 8.356 14.240 ( 8.478 -28.177 -0.000) 29.425 16.123 ( -23.751 4.446 -0.000) 24.163 19.506 ( 0.749 19.148 0.000) 19.163 22.052 ( 2.203 13.162 0.000) 13.345 29.323 ( 7.117 -4.758 -0.000) 8.561 41.023 ( 2.460 2.506 0.000) 3.512 ======================= Grid point 198 (163/266) ======================= q-point: (-0.44 -0.56 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.238 ( -9.397 -9.407 -0.000) 13.296 3.554 ( 4.030 -8.913 -0.000) 9.782 3.576 ( 4.606 -8.214 -0.000) 9.417 4.330 ( -8.103 -2.808 -0.000) 8.575 4.449 ( 1.863 3.564 0.000) 4.022 5.396 ( -1.553 11.413 0.000) 11.518 5.493 ( -21.118 22.956 0.000) 31.192 6.741 ( -5.701 1.911 -0.000) 6.013 6.832 ( 18.947 15.957 0.000) 24.771 8.546 ( -5.534 -1.421 -0.000) 5.713 8.777 ( 2.403 2.399 0.000) 3.396 8.868 ( -12.384 17.810 0.000) 21.693 10.612 ( 32.133 -5.382 0.000) 32.580 11.583 ( 4.709 19.163 0.000) 19.733 12.067 ( -5.662 9.906 0.000) 11.409 13.482 ( 4.975 -30.921 -0.000) 31.319 16.614 ( -12.606 7.078 -0.000) 14.457 19.894 ( 1.163 19.907 0.000) 19.941 22.297 ( 3.727 16.304 0.000) 16.724 29.116 ( 2.415 -5.977 -0.000) 6.447 41.057 ( 1.085 4.249 0.000) 4.385 ======================= Grid point 203 (164/266) ======================= q-point: (-0.37 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 0.000 -12.317 -12.290) 17.400 2.150 ( -0.000 -20.294 6.803) 21.404 2.774 ( -0.000 1.702 5.475) 5.734 3.134 ( 0.000 -6.211 -15.318) 16.529 4.076 ( -0.000 -30.585 -18.835) 35.920 5.525 ( -0.000 -6.836 26.142) 27.021 5.808 ( -0.000 -23.459 -4.821) 23.950 6.082 ( -0.000 2.435 23.145) 23.273 6.681 ( 0.000 2.669 -16.215) 16.434 6.861 ( -0.000 -9.769 10.406) 14.273 8.787 ( -0.000 -24.535 25.954) 35.715 9.578 ( -0.000 -12.844 -3.860) 13.411 10.959 ( 0.000 4.916 -21.384) 21.942 12.111 ( -0.000 -21.581 4.998) 22.152 13.092 ( -0.000 -23.712 -13.520) 27.296 13.763 ( 0.000 -1.198 -19.254) 19.291 13.792 ( 0.000 3.857 -0.037) 3.857 20.750 ( 0.000 18.054 3.086) 18.316 23.801 ( 0.000 45.049 -17.097) 48.184 29.819 ( -0.000 -14.439 17.811) 22.929 41.079 ( -0.000 -2.109 0.164) 2.115 ======================= Grid point 204 (165/266) ======================= q-point: (-0.37 0.37 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.087 ( 1.985 -10.845 -0.000) 11.025 3.258 ( 3.070 -12.957 -0.000) 13.316 3.408 ( -2.824 -7.088 -0.000) 7.629 4.371 ( 7.779 -0.704 0.000) 7.811 4.525 ( -12.735 0.889 -0.000) 12.766 5.630 ( 4.370 12.806 0.000) 13.531 6.382 ( -12.311 19.111 0.000) 22.733 6.784 ( 18.241 16.341 0.000) 24.490 6.963 ( -6.358 10.201 0.000) 12.020 8.656 ( -7.488 -0.037 -0.000) 7.488 8.742 ( 5.781 3.394 0.000) 6.704 9.547 ( -16.882 14.359 0.000) 22.162 9.868 ( 25.933 -9.266 0.000) 27.539 11.988 ( -4.365 15.280 0.000) 15.891 12.356 ( -4.466 7.521 0.000) 8.747 12.833 ( 5.506 -17.942 -0.000) 18.768 16.919 ( -0.145 10.259 0.000) 10.260 20.267 ( -0.021 17.253 0.000) 17.253 22.576 ( 2.120 16.715 0.000) 16.848 28.966 ( -0.990 -7.694 -0.000) 7.757 41.145 ( -0.263 4.799 0.000) 4.806 ======================= Grid point 207 (166/266) ======================= q-point: (-0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( 1.803 -7.177 -0.000) 7.400 2.894 ( 4.720 -14.875 -0.000) 15.606 3.282 ( 3.011 -6.904 -0.000) 7.532 4.145 ( 10.536 -2.184 0.000) 10.760 4.845 ( -14.438 2.277 -0.000) 14.616 5.685 ( 14.072 9.540 0.000) 17.001 6.600 ( 2.957 -0.508 0.000) 3.000 6.780 ( 17.141 17.861 0.000) 24.755 7.395 ( 0.460 19.314 0.000) 19.320 8.647 ( 6.565 -0.936 0.000) 6.631 8.832 ( -7.748 0.170 -0.000) 7.749 9.188 ( 20.267 -11.196 0.000) 23.154 10.103 ( -13.263 10.579 0.000) 16.965 11.913 ( -0.541 -24.244 -0.000) 24.250 12.552 ( -3.321 3.973 0.000) 5.178 12.875 ( 1.784 22.387 0.000) 22.458 17.059 ( 9.896 13.504 0.000) 16.742 20.585 ( -1.021 11.997 0.000) 12.040 22.898 ( -2.346 14.132 0.000) 14.325 28.817 ( -1.478 -9.640 -0.000) 9.753 41.251 ( -0.969 3.909 0.000) 4.028 ======================= Grid point 208 (167/266) ======================= q-point: (-0.29 -0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -4.997 -13.929 -6.796) 16.284 1.956 ( -19.593 -14.646 -16.372) 29.435 2.877 ( -5.031 -0.048 -0.611) 5.068 3.066 ( -5.425 -4.612 -3.729) 8.038 3.459 ( -7.315 -31.577 -25.565) 41.282 5.269 ( 5.721 -13.828 0.403) 14.970 5.475 ( -4.684 0.784 11.619) 12.552 6.193 ( -1.912 2.401 20.442) 20.671 6.698 ( -4.382 -4.391 3.906) 7.330 6.978 ( -13.674 5.400 3.153) 15.036 8.262 ( -2.145 -25.821 23.577) 35.032 9.284 ( 4.332 -10.167 -6.178) 12.661 10.840 ( -3.239 -18.279 -14.673) 23.662 11.793 ( -3.294 -7.815 3.328) 9.110 12.482 ( 7.682 -24.351 -5.355) 26.090 13.556 ( 14.392 6.854 -14.374) 21.465 14.651 ( -31.654 29.420 -11.207) 44.644 20.945 ( 3.748 4.303 5.099) 7.652 24.618 ( 14.385 44.508 -25.165) 53.115 29.332 ( 9.595 -23.750 19.167) 31.992 41.087 ( -4.165 -0.545 1.173) 4.361 ======================= Grid point 211 (168/266) ======================= q-point: (-0.22 -0.28 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 730 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -13.277 -2.362 -12.112) 18.126 2.065 ( -18.073 -16.215 -18.468) 30.507 2.901 ( 0.874 -0.465 -1.524) 1.818 3.166 ( -9.386 -4.693 3.009) 10.917 3.339 ( -31.593 -12.127 -26.002) 42.677 5.078 ( -8.989 -6.411 15.807) 19.281 5.889 ( -13.144 17.082 -4.866) 22.096 6.225 ( 1.638 0.871 14.738) 14.854 6.762 ( -12.934 -7.668 -0.614) 15.049 7.432 ( -11.497 11.309 12.101) 20.162 7.987 ( -15.071 -13.797 16.923) 26.530 8.993 ( 5.339 -9.150 -13.859) 17.444 10.579 ( -10.001 -15.615 -7.034) 19.832 11.783 ( -2.309 -3.740 -0.606) 4.437 11.955 ( 4.188 -10.822 3.866) 12.231 13.465 ( 6.789 4.933 -14.583) 16.825 15.903 ( -22.144 29.676 5.256) 37.399 20.843 ( 2.281 -4.586 2.204) 5.576 24.887 ( 32.034 25.228 -26.216) 48.476 28.639 ( 3.957 -22.009 5.322) 22.986 41.202 ( -4.948 1.175 3.713) 6.297 ======================= Grid point 212 (169/266) ======================= q-point: (-0.22 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 10.023 -12.184 -0.000) 15.777 2.741 ( 2.222 -0.221 0.000) 2.233 2.967 ( 11.589 -8.070 -0.000) 14.122 3.890 ( 10.185 -1.842 0.000) 10.351 5.069 ( 6.960 2.452 0.000) 7.380 5.527 ( 5.639 3.586 0.000) 6.683 6.423 ( 8.887 -2.912 0.000) 9.352 6.783 ( 16.317 13.670 0.000) 21.287 7.660 ( 7.398 14.466 0.000) 16.248 8.436 ( 9.128 -3.885 0.000) 9.921 8.617 ( 12.094 -10.552 -0.000) 16.050 8.878 ( 3.236 -1.990 0.000) 3.799 10.548 ( -10.471 9.899 0.000) 14.409 11.367 ( 6.138 -20.789 -0.000) 21.677 12.659 ( -2.262 1.119 -0.000) 2.524 13.209 ( 4.563 12.477 0.000) 13.285 17.099 ( 13.169 13.281 0.000) 18.703 20.775 ( -0.414 4.608 0.000) 4.627 23.236 ( -7.711 8.260 0.000) 11.300 28.629 ( 0.632 -8.963 -0.000) 8.985 41.334 ( -1.029 2.112 0.000) 2.349 ======================= Grid point 215 (170/266) ======================= q-point: (-0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 16.113 0.000 0.000) 16.113 2.412 ( 25.813 0.000 0.000) 25.813 2.845 ( -4.487 -0.000 -0.000) 4.487 3.663 ( 10.148 0.000 0.000) 10.148 4.523 ( 41.007 0.000 0.000) 41.007 5.745 ( -15.675 -0.000 -0.000) 15.675 6.189 ( 9.844 0.000 0.000) 9.844 6.608 ( 16.980 0.000 0.000) 16.980 7.635 ( 10.554 0.000 0.000) 10.554 8.155 ( 12.330 0.000 0.000) 12.330 8.351 ( 6.317 0.000 0.000) 6.317 8.654 ( 11.423 0.000 0.000) 11.423 10.844 ( 14.759 0.000 0.000) 14.759 10.973 ( -13.316 -0.000 -0.000) 13.316 12.702 ( -1.344 -0.000 -0.000) 1.344 13.165 ( 11.855 0.000 0.000) 11.855 17.031 ( 10.018 0.000 0.000) 10.018 20.804 ( 0.892 0.000 0.000) 0.892 23.525 ( -11.852 -0.000 -0.000) 11.852 28.478 ( 2.759 0.000 0.000) 2.759 41.376 ( -0.890 -0.000 -0.000) 0.890 ======================= Grid point 216 (171/266) ======================= q-point: (-0.14 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -12.321 -0.000 -14.339) 18.906 2.207 ( -20.926 -0.000 -8.365) 22.536 2.858 ( 2.288 0.000 3.972) 4.584 3.268 ( -7.326 -0.000 -3.485) 8.113 4.018 ( -39.753 -0.000 -14.333) 42.258 5.275 ( -11.784 0.000 19.151) 22.486 6.170 ( 0.033 0.000 12.024) 12.024 6.462 ( -16.682 -0.000 -10.276) 19.593 6.956 ( -18.907 -0.000 -6.771) 20.083 7.812 ( -10.035 0.000 17.699) 20.346 8.237 ( -18.456 0.000 9.892) 20.940 8.750 ( 4.656 -0.000 -21.291) 21.794 10.663 ( -13.636 -0.000 -4.544) 14.373 11.698 ( 2.992 0.000 18.576) 18.815 11.849 ( 1.705 -0.000 -8.483) 8.653 13.466 ( -0.973 -0.000 -10.925) 10.968 16.562 ( -14.701 0.000 9.608) 17.562 20.784 ( -0.911 -0.000 0.036) 0.911 24.461 ( 30.584 -0.000 -21.902) 37.618 28.423 ( -2.622 -0.000 -0.005) 2.622 41.293 ( -2.597 0.000 3.278) 4.182 ======================= Grid point 218 (172/266) ======================= q-point: (-0.61 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 0.000 0.992 -1.254) 1.599 2.631 ( -0.000 -1.186 0.770) 1.414 2.776 ( -0.000 -10.338 15.059) 18.266 3.947 ( 0.000 3.990 -27.469) 27.757 4.851 ( -0.000 -2.450 11.467) 11.726 5.457 ( 0.000 -3.195 -4.223) 5.296 6.088 ( -0.000 -9.711 23.953) 25.847 6.986 ( -0.000 -1.429 -0.568) 1.538 7.144 ( -0.000 -7.000 1.080) 7.082 7.458 ( 0.000 2.122 -29.525) 29.601 9.287 ( -0.000 -13.225 29.449) 32.282 10.208 ( -0.000 -2.436 -0.302) 2.454 10.548 ( 0.000 12.253 -13.701) 18.380 12.345 ( 0.000 4.245 -3.037) 5.220 13.586 ( 0.000 1.238 -0.008) 1.238 14.445 ( -0.000 -2.751 -1.924) 3.357 15.710 ( -0.000 -20.390 0.457) 20.395 19.154 ( 0.000 16.232 -0.210) 16.233 21.870 ( 0.000 10.380 -0.097) 10.381 30.241 ( -0.000 -4.732 1.236) 4.890 41.178 ( -0.000 -0.588 0.028) 0.589 ======================= Grid point 221 (173/266) ======================= q-point: (-0.53 -0.22 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( -0.970 -13.976 10.756) 17.663 2.604 ( -17.089 -1.987 -2.047) 17.325 2.835 ( -15.347 0.031 4.561) 16.011 3.910 ( 1.722 -5.303 -26.712) 27.288 4.792 ( 0.963 -2.516 8.573) 8.986 5.363 ( 3.720 -2.921 3.000) 5.601 5.696 ( 12.569 -14.151 19.150) 26.925 6.737 ( 3.348 -15.199 -2.823) 15.818 7.084 ( -4.378 -3.053 4.482) 6.969 7.521 ( -8.759 -6.327 -27.243) 29.307 8.993 ( 1.903 -14.270 29.543) 32.864 9.968 ( 11.955 -6.659 -1.072) 13.726 10.838 ( -2.781 13.254 -13.922) 19.422 12.392 ( 3.761 3.021 -3.059) 5.713 13.796 ( -15.082 2.466 -0.097) 15.283 14.117 ( 13.321 -13.799 -4.197) 19.633 14.988 ( 3.699 -38.824 -0.886) 39.010 19.651 ( 1.532 28.916 -0.179) 28.957 22.272 ( 1.774 28.679 -1.348) 28.766 30.050 ( 5.063 -8.740 3.682) 10.751 41.155 ( 0.175 -1.120 0.112) 1.139 ======================= Grid point 226 (174/266) ======================= q-point: (-0.46 -0.29 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -7.241 -16.145 12.575) 21.707 3.013 ( -25.487 -3.635 -6.085) 26.454 3.217 ( -19.234 0.522 2.393) 19.389 3.698 ( 2.153 -10.653 -19.981) 22.745 4.713 ( -0.235 -3.721 -3.270) 4.959 5.072 ( 12.470 -12.672 9.572) 20.192 5.234 ( 8.975 -0.164 15.314) 17.751 6.399 ( -2.234 -14.359 2.517) 14.748 7.169 ( -10.000 -2.902 -5.801) 11.919 7.561 ( -12.360 -9.076 -16.112) 22.243 8.611 ( 4.203 -15.938 26.352) 31.082 9.568 ( 12.266 -5.938 -0.290) 13.631 11.184 ( -3.727 12.923 -17.959) 22.437 12.313 ( 3.496 -3.086 3.730) 5.971 13.350 ( 21.553 -21.065 -5.626) 30.658 13.905 ( 0.158 -27.848 0.089) 27.849 14.605 ( -21.253 5.215 -2.422) 22.017 20.161 ( 4.187 24.909 0.248) 25.260 22.879 ( 8.183 37.518 -4.019) 38.610 29.688 ( 7.860 -13.220 5.071) 16.195 41.143 ( -0.539 -0.151 0.356) 0.663 ======================= Grid point 229 (175/266) ======================= q-point: (-0.38 -0.37 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -14.922 -11.723 10.797) 21.833 3.308 ( -14.176 -12.156 -7.002) 19.944 3.406 ( 1.271 -11.586 -14.141) 18.325 3.562 ( -15.422 -3.588 0.658) 15.847 4.559 ( -4.603 -8.081 -8.376) 12.516 4.984 ( -4.102 5.340 9.141) 11.354 5.214 ( -1.287 14.800 11.392) 18.721 6.276 ( -8.682 -7.867 3.831) 12.327 7.314 ( -7.583 -2.086 -19.338) 20.876 7.710 ( -18.187 -6.970 0.306) 19.479 8.280 ( -2.409 -10.066 21.916) 24.237 9.289 ( 6.222 -2.612 0.291) 6.754 11.454 ( -2.393 5.245 -22.954) 23.666 12.149 ( -5.200 -12.977 11.941) 18.385 12.425 ( 25.160 -21.586 -0.148) 33.151 13.401 ( 6.016 -7.969 -5.499) 11.399 15.397 ( -27.887 16.252 0.020) 32.277 20.489 ( 5.011 16.304 0.489) 17.063 23.391 ( 16.461 34.815 -6.362) 39.032 29.229 ( 6.395 -15.966 4.148) 17.692 41.175 ( -1.071 1.584 0.722) 2.044 ======================= Grid point 231 (176/266) ======================= q-point: ( 0.15 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 0.000 13.270 0.000) 13.270 2.644 ( 0.000 15.824 0.000) 15.824 2.816 ( -0.000 -3.283 -0.000) 3.283 3.369 ( 0.000 12.918 0.000) 12.918 4.173 ( 0.000 30.717 0.000) 30.717 6.123 ( -0.000 -11.131 -0.000) 11.131 6.130 ( -0.000 -9.183 -0.000) 9.183 6.174 ( 0.000 22.099 0.000) 22.099 7.068 ( 0.000 13.977 0.000) 13.977 7.254 ( 0.000 5.562 0.000) 5.562 9.770 ( 0.000 13.947 0.000) 13.947 9.855 ( -0.000 -13.072 -0.000) 13.072 9.868 ( 0.000 16.805 0.000) 16.805 12.072 ( 0.000 4.843 0.000) 4.843 13.677 ( 0.000 19.261 0.000) 19.261 13.708 ( -0.000 -4.040 -0.000) 4.040 13.825 ( 0.000 54.010 0.000) 54.010 20.296 ( -0.000 -29.853 -0.000) 29.853 22.733 ( -0.000 -28.242 -0.000) 28.242 30.342 ( 0.000 1.009 0.000) 1.009 41.126 ( 0.000 1.977 0.000) 1.977 ======================= Grid point 232 (177/266) ======================= q-point: ( 0.15 -0.65 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 377 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.302 ( 0.000 8.048 -0.000) 8.048 3.480 ( 0.000 8.705 0.000) 8.705 3.652 ( 0.000 3.381 0.000) 3.381 4.036 ( 0.000 8.989 0.000) 8.989 4.801 ( 0.000 -3.542 0.000) 3.542 5.334 ( 0.000 -12.771 0.000) 12.771 6.129 ( 0.000 -26.071 -0.000) 26.071 6.166 ( -0.000 -15.889 0.000) 15.889 6.710 ( 0.000 -3.261 -0.000) 3.261 8.561 ( 0.000 -6.700 0.000) 6.700 8.866 ( 0.000 -1.692 -0.000) 1.692 9.286 ( 0.000 -5.522 0.000) 5.522 10.466 ( 0.000 -16.673 0.000) 16.673 10.803 ( -0.000 -3.773 -0.000) 3.773 12.459 ( 0.000 -16.054 0.000) 16.054 13.386 ( 0.000 33.862 0.000) 33.862 16.744 ( 0.000 -6.861 0.000) 6.861 19.882 ( 0.000 -19.613 0.000) 19.613 22.249 ( 0.000 -14.470 0.000) 14.470 29.101 ( 0.000 5.280 0.000) 5.280 41.047 ( 0.000 -4.498 0.000) 4.498 ======================= Grid point 235 (178/266) ======================= q-point: (-0.31 -0.44 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( -16.743 -4.546 7.868) 19.050 3.068 ( -1.886 -16.710 -4.547) 17.420 3.190 ( -1.409 -13.900 -3.203) 14.333 3.713 ( -8.334 -3.596 -10.778) 14.091 4.748 ( -12.108 2.629 3.486) 12.871 5.167 ( -11.828 1.689 3.643) 12.491 5.899 ( -15.233 20.606 6.586) 26.458 6.500 ( -15.021 10.729 -5.031) 19.133 7.392 ( -2.488 1.644 -5.463) 6.224 7.892 ( -16.930 -9.357 -4.047) 19.762 8.412 ( -15.526 1.303 12.988) 20.284 9.186 ( 1.555 -1.095 -3.691) 4.152 11.418 ( 2.932 -16.159 -6.098) 17.519 11.528 ( 13.236 -16.038 9.384) 22.814 12.090 ( -4.614 -2.335 -5.609) 7.629 13.333 ( 4.920 9.343 -2.348) 10.817 16.286 ( -23.853 17.304 1.333) 29.499 20.661 ( 2.903 9.083 0.292) 9.540 23.619 ( 20.628 24.112 -6.894) 32.472 28.829 ( 1.837 -13.794 1.842) 14.038 41.239 ( -0.835 2.479 0.820) 2.741 ======================= Grid point 236 (179/266) ======================= q-point: ( 0.23 0.27 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 730 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.395 ( 3.325 4.886 2.667) 6.484 3.522 ( 5.489 2.312 0.586) 5.985 3.819 ( -6.856 6.325 -0.064) 9.328 4.187 ( 3.394 7.131 -1.119) 7.977 4.724 ( 0.092 -5.655 -5.671) 8.009 5.032 ( 2.267 -9.974 5.843) 11.780 5.476 ( 11.929 -7.511 -12.206) 18.647 6.117 ( -14.504 -16.828 13.347) 25.917 6.673 ( -2.135 -1.700 -3.714) 4.609 8.422 ( 0.995 -4.928 0.626) 5.067 8.574 ( 13.138 -8.053 3.086) 15.716 9.271 ( -16.208 -7.841 -11.106) 21.155 10.283 ( 3.018 -2.241 17.475) 17.874 10.996 ( -22.538 -0.574 -4.696) 23.029 12.159 ( -0.085 -12.647 -2.621) 12.916 14.076 ( -4.501 27.868 0.708) 28.238 16.502 ( 13.023 -3.972 -0.014) 13.615 19.496 ( -0.250 -17.618 0.018) 17.620 22.009 ( -0.984 -10.157 0.281) 10.209 29.227 ( -4.290 3.099 -0.574) 5.324 40.984 ( -1.610 -3.053 -0.104) 3.453 ======================= Grid point 237 (180/266) ======================= q-point: ( 0.23 -0.23 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( -20.490 7.952 -0.000) 21.979 2.788 ( -1.958 1.918 0.000) 2.741 2.894 ( -9.190 -2.112 -0.000) 9.429 3.714 ( -0.364 18.075 0.000) 18.079 4.578 ( 4.755 12.422 0.000) 13.301 5.910 ( 6.973 -5.106 -0.000) 8.643 5.920 ( -1.994 -10.897 -0.000) 11.078 6.523 ( 5.860 18.504 0.000) 19.410 7.202 ( 6.317 4.242 0.000) 7.609 7.539 ( -9.356 11.331 0.000) 14.695 9.515 ( 4.720 -12.816 -0.000) 13.658 9.899 ( 10.745 7.245 0.000) 12.959 10.207 ( -2.463 13.946 0.000) 14.162 12.161 ( 0.908 3.706 0.000) 3.816 13.816 ( -17.245 -3.952 -0.000) 17.692 13.943 ( 11.747 16.013 0.000) 19.860 14.863 ( 3.935 46.732 0.000) 46.897 19.642 ( 1.501 -29.786 -0.000) 29.824 22.187 ( 1.147 -21.707 -0.000) 21.737 30.277 ( 6.877 0.342 0.000) 6.886 41.162 ( -0.029 0.880 0.000) 0.880 ======================= Grid point 238 (181/266) ======================= q-point: (-0.23 -0.52 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( -7.375 -2.732 1.161) 7.950 2.836 ( -0.505 -8.305 -0.995) 8.379 3.002 ( -9.394 -9.619 7.343) 15.320 3.823 ( -7.768 -1.048 -17.566) 19.235 4.894 ( 1.925 1.729 14.540) 14.769 5.558 ( -18.192 3.022 -7.784) 20.017 6.393 ( -15.278 1.751 9.573) 18.114 7.156 ( -10.631 10.623 -13.478) 20.187 7.653 ( -6.994 20.370 7.863) 22.928 8.072 ( -15.093 -4.768 -7.666) 17.587 8.715 ( -10.770 -1.354 1.129) 10.913 9.106 ( 0.328 -6.130 -14.441) 15.692 10.778 ( 14.911 -8.693 34.390) 38.479 11.352 ( -8.685 -11.776 -0.971) 14.664 12.171 ( -1.752 2.526 -19.848) 20.085 13.476 ( 1.830 8.941 2.579) 9.484 17.001 ( -16.968 10.779 1.550) 20.162 20.772 ( 0.177 4.828 0.049) 4.832 23.582 ( 18.053 11.326 -5.495) 22.009 28.608 ( -1.368 -7.278 0.339) 7.414 41.299 ( -0.375 1.863 0.553) 1.979 ======================= Grid point 240 (182/266) ======================= q-point: ( 0.30 -0.30 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( -3.398 -2.284 -0.000) 4.094 3.031 ( -27.986 3.657 -0.000) 28.224 3.098 ( -17.817 -2.570 -0.000) 18.002 4.060 ( 1.278 15.525 0.000) 15.578 4.533 ( 8.859 -1.235 0.000) 8.945 5.623 ( 11.681 -4.434 0.000) 12.495 5.694 ( 1.273 -13.747 -0.000) 13.806 6.756 ( 6.987 17.797 0.000) 19.119 7.058 ( 6.262 -4.842 -0.000) 7.915 7.949 ( -8.487 9.192 0.000) 12.511 9.131 ( 7.631 -12.824 -0.000) 14.923 9.686 ( 16.852 1.082 0.000) 16.887 10.556 ( -4.841 13.186 0.000) 14.047 12.140 ( 7.827 1.930 0.000) 8.061 13.801 ( 25.966 6.842 0.000) 26.853 14.207 ( -27.486 -2.187 -0.000) 27.573 15.433 ( 11.209 20.011 0.000) 22.937 19.148 ( -0.367 -13.338 -0.000) 13.343 21.862 ( -0.015 -7.752 -0.000) 7.752 30.092 ( 10.095 -1.526 0.000) 10.210 41.154 ( 1.483 -0.171 0.000) 1.493 ======================= Grid point 241 (183/266) ======================= q-point: ( 0.30 0.20 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.385 ( 4.748 2.151 -0.549) 5.242 3.458 ( 2.829 0.787 1.896) 3.495 4.122 ( 8.724 3.072 -1.689) 9.402 4.174 ( -9.716 5.749 2.628) 11.591 4.518 ( 8.447 -6.211 -2.866) 10.869 4.944 ( -3.657 -1.579 1.774) 4.360 5.382 ( -0.296 6.149 -9.333) 11.181 6.097 ( -15.858 -11.187 10.635) 22.130 6.719 ( -3.762 -0.382 -2.564) 4.569 8.294 ( 5.650 -0.292 1.035) 5.751 8.335 ( -2.427 -3.171 -0.369) 4.010 9.572 ( -19.979 -0.394 -7.986) 21.520 10.170 ( 4.451 -1.690 10.325) 11.370 11.602 ( -33.543 2.377 3.234) 33.782 11.977 ( -2.317 -6.352 -4.549) 8.149 14.659 ( -10.380 12.228 0.348) 16.043 16.063 ( 24.245 -1.439 -0.007) 24.288 19.205 ( 1.109 -8.366 0.028) 8.439 21.867 ( 0.036 -4.274 0.086) 4.275 29.405 ( -8.620 1.202 -0.425) 8.714 40.990 ( -2.942 -0.960 -0.068) 3.095 ======================= Grid point 243 (184/266) ======================= q-point: (-0.16 -0.59 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -2.720 -0.000 -0.337) 2.741 2.725 ( 2.202 -0.000 -0.787) 2.338 3.160 ( -10.467 0.000 11.712) 15.707 3.966 ( -6.239 -0.000 -21.387) 22.278 4.831 ( 3.889 0.000 15.485) 15.966 5.890 ( -9.868 -0.000 -8.829) 13.241 6.661 ( -8.998 0.000 9.635) 13.183 7.345 ( -2.400 -0.000 -3.285) 4.069 8.176 ( -3.924 -0.000 -6.259) 7.387 8.228 ( -10.099 0.000 4.554) 11.079 8.763 ( -0.457 -0.000 -16.093) 16.100 9.007 ( -0.221 -0.000 -12.127) 12.129 10.536 ( 2.989 0.000 46.005) 46.102 11.364 ( -4.584 -0.000 -0.822) 4.657 12.233 ( -1.449 -0.000 -24.601) 24.644 13.555 ( 0.668 0.000 5.243) 5.285 17.383 ( -9.529 -0.000 0.805) 9.563 20.832 ( -0.407 -0.000 0.000) 0.407 23.395 ( 11.150 -0.000 -2.854) 11.509 28.566 ( -1.311 -0.000 0.012) 1.311 41.324 ( -0.110 0.000 0.229) 0.254 ======================= Grid point 245 (185/266) ======================= q-point: ( 0.38 -0.38 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( -8.588 -8.224 -0.000) 11.891 3.470 ( -18.457 1.053 -0.000) 18.487 3.638 ( -26.217 0.722 -0.000) 26.227 4.256 ( 9.143 -6.341 -0.000) 11.127 4.279 ( 4.670 11.263 0.000) 12.193 5.259 ( 6.926 -19.216 -0.000) 20.426 5.292 ( 10.538 -4.257 0.000) 11.366 6.808 ( 3.819 -7.980 -0.000) 8.847 6.998 ( 6.520 19.145 0.000) 20.225 8.225 ( -6.653 2.625 -0.000) 7.153 8.658 ( 12.727 -12.408 -0.000) 17.775 9.357 ( 12.679 -2.310 0.000) 12.888 10.955 ( -6.335 14.475 0.000) 15.800 11.938 ( 15.064 2.542 0.000) 15.277 13.208 ( 35.611 -2.107 0.000) 35.673 14.799 ( -29.997 -0.893 -0.000) 30.010 15.224 ( 10.907 -12.300 -0.000) 16.439 19.165 ( -0.668 11.897 0.000) 11.916 21.868 ( 0.014 7.360 0.000) 7.360 29.814 ( 11.131 -4.175 0.000) 11.889 41.109 ( 2.514 0.140 0.000) 2.518 ======================= Grid point 248 (186/266) ======================= q-point: (-0.55 -0.45 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.890 ( -13.671 -10.288 -0.000) 17.110 3.772 ( -8.988 -2.640 -0.000) 9.368 3.931 ( 6.007 -6.739 -0.000) 9.028 4.067 ( -14.820 -4.247 -0.000) 15.417 4.349 ( 6.826 9.341 0.000) 11.569 4.833 ( -1.765 -9.841 -0.000) 9.998 5.114 ( 0.595 0.412 0.000) 0.724 6.628 ( -0.618 -5.426 -0.000) 5.461 7.233 ( 12.800 19.364 0.000) 23.212 8.258 ( 0.975 -6.706 -0.000) 6.777 8.348 ( -6.474 -2.601 -0.000) 6.977 9.101 ( 9.202 -0.991 0.000) 9.255 11.383 ( -3.909 15.339 0.000) 15.829 11.725 ( 14.846 8.166 0.000) 16.944 12.368 ( 35.393 -6.971 0.000) 36.073 14.425 ( 9.296 -30.841 -0.000) 32.212 15.572 ( -29.724 5.209 -0.000) 30.177 19.528 ( 1.470 21.486 0.000) 21.536 22.105 ( 2.929 16.946 0.000) 17.198 29.492 ( 9.382 -6.378 -0.000) 11.344 41.074 ( 2.497 1.769 0.000) 3.060 ======================= Grid point 254 (187/266) ======================= q-point: (-0.48 -0.52 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( -15.545 -11.093 -0.000) 19.097 3.645 ( 4.780 -9.830 -0.000) 10.930 3.676 ( 4.004 -8.280 -0.000) 9.197 4.177 ( -7.588 -4.634 -0.000) 8.891 4.472 ( 0.898 6.982 0.000) 7.040 5.095 ( -17.263 17.411 0.000) 24.518 5.294 ( -7.991 7.131 0.000) 10.710 6.630 ( -5.318 -0.305 -0.000) 5.326 7.209 ( 18.150 12.110 0.000) 21.819 8.413 ( -7.396 -4.163 -0.000) 8.487 8.476 ( -17.574 7.070 -0.000) 18.943 8.961 ( 7.192 4.387 0.000) 8.425 11.303 ( 34.256 -3.443 0.000) 34.429 11.722 ( 8.542 14.803 0.000) 17.091 11.954 ( -4.385 7.623 0.000) 8.795 13.606 ( 7.068 -30.717 -0.000) 31.520 16.249 ( -22.862 7.886 -0.000) 24.184 19.930 ( 2.389 20.761 0.000) 20.898 22.399 ( 6.295 20.042 0.000) 21.007 29.195 ( 5.303 -7.645 -0.000) 9.304 41.087 ( 1.719 3.617 0.000) 4.005 ======================= Grid point 258 (188/266) ======================= q-point: (-0.40 -0.60 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.014 ( -9.684 -11.704 -0.000) 15.190 3.326 ( 3.584 -12.816 -0.000) 13.308 3.399 ( 2.526 -8.840 -0.000) 9.194 4.291 ( -10.355 -1.069 -0.000) 10.410 4.505 ( 5.335 2.136 0.000) 5.747 5.625 ( -4.972 10.566 0.000) 11.677 6.042 ( -20.316 27.389 0.000) 34.101 6.822 ( -7.529 7.329 0.000) 10.507 7.113 ( 14.361 11.182 0.000) 18.201 8.493 ( -8.397 -3.251 -0.000) 9.004 8.820 ( -0.288 1.513 0.000) 1.540 9.202 ( -14.884 14.155 0.000) 20.540 10.460 ( 31.778 -9.754 0.000) 33.241 11.937 ( -1.036 9.424 0.000) 9.481 12.256 ( -5.534 8.124 0.000) 9.830 12.963 ( 7.412 -13.851 -0.000) 15.709 16.795 ( -11.967 10.533 0.000) 15.943 20.281 ( 1.392 17.169 0.000) 17.225 22.666 ( 6.768 18.860 0.000) 20.038 28.968 ( 1.129 -8.267 -0.000) 8.344 41.149 ( 0.621 4.544 0.000) 4.586 ======================= Grid point 263 (189/266) ======================= q-point: (-0.33 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 0.000 -14.156 -18.252) 23.098 1.765 ( -0.000 -16.301 -12.567) 20.583 2.803 ( -0.000 1.086 6.755) 6.842 3.026 ( 0.000 -4.593 -10.506) 11.466 3.387 ( -0.000 -34.399 -25.698) 42.938 5.352 ( -0.000 -20.043 -4.815) 20.614 5.425 ( -0.000 -0.561 12.719) 12.732 6.159 ( -0.000 4.173 24.465) 24.818 6.664 ( -0.000 -8.803 12.073) 14.942 6.819 ( 0.000 9.919 -2.930) 10.343 8.240 ( -0.000 -28.064 24.943) 37.546 9.334 ( -0.000 -10.422 -4.872) 11.504 10.805 ( -0.000 -20.187 -14.196) 24.679 11.756 ( -0.000 -7.549 4.023) 8.554 12.574 ( -0.000 -26.551 -5.305) 27.076 13.862 ( 0.000 2.920 -0.031) 2.920 14.149 ( 0.000 35.716 -33.150) 48.730 20.985 ( -0.000 4.139 6.192) 7.448 24.773 ( 0.000 49.284 -26.473) 55.944 29.444 ( -0.000 -22.665 24.618) 33.463 41.039 ( -0.000 -1.728 0.155) 1.735 ======================= Grid point 264 (190/266) ======================= q-point: (-0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( -0.945 -10.887 -0.000) 10.928 2.981 ( 3.937 -13.140 -0.000) 13.717 3.283 ( -2.372 -4.936 -0.000) 5.476 4.359 ( 10.170 -0.464 0.000) 10.181 4.547 ( -14.312 1.083 -0.000) 14.353 5.866 ( 3.440 9.877 0.000) 10.459 6.599 ( -3.556 3.641 0.000) 5.089 7.084 ( 12.658 12.264 0.000) 17.624 7.342 ( -5.918 24.556 0.000) 25.259 8.629 ( -10.495 -2.494 -0.000) 10.787 8.773 ( 5.422 0.041 0.000) 5.422 9.662 ( 25.325 -10.995 0.000) 27.609 9.793 ( -17.058 9.573 -0.000) 19.561 11.882 ( -2.556 -18.406 -0.000) 18.583 12.481 ( -3.761 4.736 0.000) 6.048 12.934 ( 4.248 19.569 0.000) 20.025 17.157 ( -0.474 12.289 0.000) 12.298 20.575 ( -0.027 12.393 0.000) 12.393 22.908 ( 3.433 14.796 0.000) 15.189 28.796 ( -0.690 -8.434 -0.000) 8.462 41.237 ( -0.317 4.000 0.000) 4.013 ======================= Grid point 267 (191/266) ======================= q-point: (-0.25 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 7.113 -9.667 -0.000) 12.002 2.718 ( -2.328 -4.770 -0.000) 5.308 3.172 ( 6.310 -3.617 0.000) 7.274 4.111 ( 11.691 -1.103 0.000) 11.743 4.882 ( -15.444 1.291 -0.000) 15.498 5.840 ( 15.208 5.279 0.000) 16.098 6.574 ( 5.495 -1.352 0.000) 5.659 7.075 ( 12.306 10.069 0.000) 15.900 7.797 ( 5.649 18.787 0.000) 19.618 8.615 ( 8.352 -1.545 0.000) 8.494 8.682 ( -4.088 -13.062 -0.000) 13.686 9.077 ( 15.396 -0.780 0.000) 15.416 10.282 ( -15.343 6.576 -0.000) 16.693 11.483 ( 4.598 -15.777 -0.000) 16.434 12.610 ( -2.565 1.817 0.000) 3.143 13.267 ( 1.775 13.769 0.000) 13.883 17.317 ( 7.719 10.315 0.000) 12.883 20.771 ( -0.102 5.966 0.000) 5.967 23.134 ( -2.154 8.202 0.000) 8.480 28.641 ( 0.430 -6.745 -0.000) 6.759 41.315 ( -0.810 2.223 0.000) 2.367 ======================= Grid point 268 (192/266) ======================= q-point: (-0.25 -0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -8.740 -5.897 -22.211) 24.586 1.676 ( -17.788 -11.736 -23.914) 32.031 2.844 ( -15.022 -20.094 -34.980) 43.046 2.893 ( -3.373 0.939 -1.861) 3.965 3.004 ( -4.952 -6.279 4.242) 9.052 4.990 ( 0.272 -10.737 4.178) 11.525 5.664 ( -8.506 15.271 -3.963) 17.923 6.235 ( -0.951 0.462 22.902) 22.927 6.576 ( -5.645 -6.089 6.779) 10.719 7.175 ( -12.292 11.177 9.296) 19.037 7.757 ( -7.258 -21.352 21.012) 30.824 9.105 ( 5.103 -6.855 -9.214) 12.567 10.416 ( -5.782 -17.601 -7.338) 19.926 11.711 ( -3.700 -5.144 0.516) 6.357 12.048 ( 4.454 -13.766 -0.727) 14.487 13.689 ( 14.647 4.708 -11.305) 19.092 15.414 ( -25.075 40.064 -5.895) 47.630 20.890 ( 2.113 -8.293 4.444) 9.642 25.514 ( 27.016 40.537 -26.186) 55.307 28.759 ( 7.383 -30.231 13.403) 33.883 41.084 ( -5.984 0.184 2.437) 6.464 ======================= Grid point 271 (193/266) ======================= q-point: (-0.18 -0.32 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -13.065 -0.000 -21.594) 25.239 1.821 ( -17.507 -0.000 -18.845) 25.722 2.898 ( 1.699 0.000 5.596) 5.848 3.109 ( -8.740 -0.000 -4.799) 9.971 3.216 ( -37.329 -0.000 -23.327) 44.018 5.007 ( -11.879 0.000 17.263) 20.955 6.145 ( -14.027 -0.000 -10.157) 17.319 6.211 ( 1.779 0.000 20.917) 20.992 6.636 ( -11.754 -0.000 -3.783) 12.347 7.626 ( -8.069 0.000 19.292) 20.912 7.799 ( -23.824 0.000 12.492) 26.901 8.878 ( 7.346 -0.000 -18.817) 20.200 10.407 ( -11.236 -0.000 -5.376) 12.456 11.690 ( -3.195 0.000 14.238) 14.592 11.891 ( 2.393 -0.000 -7.623) 7.990 13.518 ( 6.754 -0.000 -14.279) 15.796 16.262 ( -15.501 0.000 12.091) 19.659 20.768 ( -0.729 -0.000 0.055) 0.731 25.174 ( 39.950 -0.000 -26.810) 48.112 28.375 ( -2.019 -0.000 -0.032) 2.019 41.215 ( -5.148 0.000 4.634) 6.927 ======================= Grid point 272 (194/266) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 11.760 0.000 0.000) 11.760 2.753 ( -4.497 -0.000 -0.000) 4.497 2.867 ( 18.478 0.000 0.000) 18.478 3.871 ( 10.603 0.000 0.000) 10.603 5.095 ( 6.112 0.000 0.000) 6.112 5.565 ( 7.011 0.000 0.000) 7.011 6.392 ( 9.697 0.000 0.000) 9.697 6.930 ( 14.422 0.000 0.000) 14.422 7.848 ( 10.677 0.000 0.000) 10.677 8.392 ( 11.018 0.000 0.000) 11.018 8.450 ( 3.246 0.000 0.000) 3.246 8.876 ( 10.318 0.000 0.000) 10.318 10.683 ( -15.321 -0.000 -0.000) 15.321 11.118 ( 11.874 0.000 0.000) 11.874 12.670 ( -1.785 -0.000 -0.000) 1.785 13.339 ( 5.623 0.000 0.000) 5.623 17.248 ( 10.752 0.000 0.000) 10.752 20.820 ( 0.720 0.000 0.000) 0.720 23.322 ( -7.857 -0.000 -0.000) 7.857 28.530 ( 2.282 0.000 0.000) 2.282 41.357 ( -0.993 -0.000 -0.000) 0.993 ======================= Grid point 278 (195/266) ======================= q-point: (-0.57 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 0.000 -2.860 -4.938) 5.707 2.521 ( -0.000 -14.001 15.277) 20.722 2.624 ( -0.000 0.329 3.508) 3.524 3.928 ( 0.000 -5.387 -27.417) 27.941 4.802 ( -0.000 -2.464 8.113) 8.479 5.401 ( -0.000 -3.177 2.354) 3.954 5.832 ( -0.000 -13.909 24.094) 27.820 6.779 ( -0.000 -16.381 -4.601) 17.015 7.037 ( -0.000 -5.282 6.152) 8.108 7.420 ( 0.000 -5.433 -30.835) 31.310 9.010 ( -0.000 -14.305 30.189) 33.407 10.096 ( -0.000 -8.159 -1.036) 8.225 10.808 ( 0.000 13.095 -12.464) 18.079 12.432 ( 0.000 3.646 -4.682) 5.934 13.633 ( 0.000 3.196 -0.018) 3.196 14.256 ( -0.000 -15.467 -4.973) 16.247 15.027 ( -0.000 -40.516 -0.569) 40.520 19.668 ( 0.000 29.626 -0.189) 29.627 22.290 ( 0.000 29.961 -1.451) 29.996 30.103 ( -0.000 -8.853 3.985) 9.708 41.157 ( -0.000 -1.489 0.076) 1.491 ======================= Grid point 281 (196/266) ======================= q-point: (-0.49 -0.26 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 2.221 -14.475 11.597) 18.681 2.538 ( -19.330 -4.413 -6.101) 20.745 2.840 ( -16.800 0.183 4.706) 17.448 3.736 ( 1.463 -11.031 -22.626) 25.214 4.716 ( 0.370 -6.201 -3.913) 7.342 5.219 ( 3.617 -11.466 12.771) 17.540 5.487 ( 12.399 -3.954 18.238) 22.405 6.375 ( -0.225 -19.247 -0.936) 19.271 6.973 ( -8.043 -7.453 4.318) 11.785 7.350 ( -8.125 -9.535 -26.098) 28.949 8.665 ( 1.440 -17.807 28.841) 33.926 9.794 ( 8.878 -9.836 -1.823) 13.375 11.112 ( -2.987 12.970 -13.117) 18.687 12.384 ( 3.177 -6.888 -0.529) 7.603 13.660 ( 8.444 -21.449 -7.735) 24.314 13.855 ( -3.941 -9.096 1.897) 10.093 14.320 ( -6.724 -16.701 -4.712) 18.610 20.232 ( 2.609 25.911 0.398) 26.045 23.017 ( 4.998 42.682 -4.867) 43.249 29.819 ( 4.795 -13.856 6.681) 16.112 41.128 ( -0.725 -1.482 0.199) 1.662 ======================= Grid point 286 (197/266) ======================= q-point: (-0.42 -0.33 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( -6.080 -10.874 10.347) 16.195 2.902 ( -24.272 -7.414 -9.807) 27.208 3.200 ( -18.524 -2.085 2.412) 18.797 3.445 ( 1.493 -13.550 -13.638) 19.283 4.489 ( -2.767 -16.704 -15.348) 22.852 5.032 ( 6.990 6.374 8.682) 12.840 5.231 ( 3.542 1.576 16.858) 17.298 6.119 ( -6.862 -11.903 6.116) 15.039 7.078 ( -14.689 -5.409 -7.958) 17.560 7.380 ( -13.631 -8.092 -9.652) 18.559 8.260 ( -0.253 -17.939 25.593) 31.255 9.437 ( 7.925 -6.472 -2.283) 10.484 11.397 ( -3.230 5.054 -18.783) 19.717 12.057 ( -3.754 -20.104 9.794) 22.676 12.865 ( 18.081 -25.501 -4.847) 31.634 13.519 ( 6.101 -6.502 -4.650) 10.056 14.851 ( -25.713 17.141 -1.915) 30.962 20.591 ( 4.779 16.096 0.941) 16.817 23.719 ( 15.352 42.829 -8.371) 46.261 29.362 ( 6.483 -18.285 6.803) 20.559 41.141 ( -2.164 0.008 0.661) 2.263 ======================= Grid point 289 (198/266) ======================= q-point: (-0.34 -0.41 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -13.781 -2.426 7.772) 16.007 2.973 ( -8.299 -18.400 -9.167) 22.169 3.167 ( -0.919 -12.650 -5.076) 13.661 3.492 ( -14.359 -2.874 -4.911) 15.445 4.418 ( -16.800 -5.293 -13.214) 22.020 5.004 ( -4.760 -1.161 14.835) 15.623 5.661 ( -8.754 21.139 5.580) 23.550 6.199 ( -14.036 3.854 0.961) 14.587 7.275 ( -10.013 -0.924 -13.623) 16.933 7.536 ( -17.305 -9.680 1.652) 19.897 8.110 ( -13.358 -6.118 20.629) 25.326 9.237 ( 3.289 -2.614 -4.708) 6.310 11.303 ( -7.007 -19.236 -9.558) 22.594 11.920 ( 12.152 -21.903 6.201) 25.804 12.002 ( 1.790 -2.572 -1.312) 3.397 13.431 ( 5.015 6.683 -5.767) 10.152 15.789 ( -24.769 21.295 1.285) 32.690 20.728 ( 3.733 6.924 0.725) 7.900 24.081 ( 24.534 30.876 -9.738) 40.622 28.878 ( 3.062 -17.416 3.532) 18.033 41.207 ( -2.435 1.444 1.168) 3.063 ======================= Grid point 291 (199/266) ======================= q-point: ( 0.19 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 0.000 9.063 0.000) 9.063 2.747 ( -0.000 -3.323 -0.000) 3.323 2.818 ( 0.000 2.386 0.000) 2.386 3.711 ( 0.000 18.676 0.000) 18.676 4.627 ( 0.000 12.932 0.000) 12.932 5.899 ( -0.000 -10.073 -0.000) 10.073 5.983 ( -0.000 -4.935 -0.000) 4.935 6.581 ( 0.000 17.012 0.000) 17.012 7.329 ( 0.000 1.401 0.000) 1.401 7.381 ( 0.000 15.351 0.000) 15.351 9.555 ( -0.000 -15.662 -0.000) 15.662 10.026 ( 0.000 10.476 0.000) 10.476 10.181 ( 0.000 13.747 0.000) 13.747 12.169 ( 0.000 4.698 0.000) 4.698 13.632 ( -0.000 -3.166 -0.000) 3.166 14.064 ( 0.000 17.552 0.000) 17.552 14.904 ( 0.000 48.413 0.000) 48.413 19.658 ( -0.000 -30.639 -0.000) 30.639 22.199 ( -0.000 -22.451 -0.000) 22.451 30.349 ( -0.000 -0.479 -0.000) 0.479 41.161 ( 0.000 1.370 0.000) 1.370 ======================= Grid point 292 (200/266) ======================= q-point: ( 0.19 -0.69 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 377 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.431 ( 0.000 4.728 -0.000) 4.728 3.600 ( 0.000 2.931 0.000) 2.931 3.728 ( 0.000 3.570 0.000) 3.570 4.219 ( 0.000 8.365 0.000) 8.365 4.724 ( 0.000 -3.994 -0.000) 3.994 5.058 ( 0.000 -13.013 0.000) 13.013 5.662 ( 0.000 -18.248 -0.000) 18.248 5.904 ( -0.000 -9.406 0.000) 9.406 6.651 ( 0.000 -2.396 -0.000) 2.396 8.434 ( 0.000 -4.753 0.000) 4.753 8.806 ( 0.000 -3.485 0.000) 3.485 9.004 ( 0.000 -18.776 0.000) 18.776 10.345 ( 0.000 2.603 0.000) 2.603 10.732 ( -0.000 -2.918 -0.000) 2.918 12.160 ( 0.000 -12.689 0.000) 12.689 14.030 ( 0.000 27.154 0.000) 27.154 16.635 ( 0.000 -3.810 0.000) 3.810 19.494 ( 0.000 -17.082 0.000) 17.082 21.999 ( 0.000 -9.452 0.000) 9.452 29.184 ( 0.000 2.790 0.000) 2.790 40.967 ( 0.000 -3.179 0.000) 3.179 ======================= Grid point 295 (201/266) ======================= q-point: (-0.27 -0.48 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( -12.785 4.166 3.541) 13.905 2.749 ( -6.971 -13.528 -2.990) 15.509 2.905 ( -0.887 -12.478 1.996) 12.667 3.662 ( -8.491 -1.501 -14.757) 17.092 4.792 ( -15.160 1.536 2.562) 15.452 5.198 ( -14.174 1.255 4.275) 14.858 6.076 ( -14.584 1.379 10.320) 17.919 6.874 ( -16.617 16.264 -15.338) 27.855 7.502 ( -7.900 10.964 10.645) 17.203 7.727 ( -18.820 -5.879 -12.066) 23.115 8.420 ( -17.756 -0.755 10.786) 20.789 9.130 ( 1.860 -4.291 -13.186) 13.991 11.087 ( 7.879 -12.883 12.936) 19.885 11.170 ( -2.191 -15.471 9.996) 18.549 12.127 ( -2.700 2.929 -14.254) 14.800 13.515 ( 2.091 6.878 -1.642) 7.373 16.620 ( -20.049 13.498 2.801) 24.331 20.778 ( 0.469 2.850 0.160) 2.892 24.023 ( 25.485 14.169 -8.703) 30.430 28.580 ( -1.335 -9.402 0.678) 9.520 41.281 ( -1.564 1.426 1.064) 2.369 ======================= Grid point 296 (202/266) ======================= q-point: ( 0.27 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 730 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.467 ( 3.148 1.926 1.393) 3.945 3.539 ( 4.971 -0.086 -0.129) 4.974 3.920 ( -10.638 2.936 0.294) 11.040 4.304 ( 5.573 3.536 -0.567) 6.624 4.621 ( 2.412 -3.308 -2.994) 5.072 4.886 ( -2.598 -3.896 2.724) 5.417 5.395 ( 1.170 -1.198 -6.787) 6.991 5.852 ( -7.773 -7.531 7.384) 13.102 6.648 ( -2.892 -0.645 -1.544) 3.341 8.364 ( 3.238 -0.259 -0.339) 3.266 8.421 ( 8.656 -5.718 1.767) 10.524 9.131 ( -22.394 -4.111 -3.275) 23.002 10.294 ( 7.801 1.184 5.111) 9.401 11.003 ( -24.476 0.737 -0.739) 24.499 11.962 ( 0.029 -5.557 -1.320) 5.711 14.494 ( -5.683 11.155 0.192) 12.521 16.448 ( 13.243 -1.272 -0.006) 13.304 19.224 ( 0.692 -7.475 0.011) 7.507 21.868 ( 0.025 -3.504 0.052) 3.504 29.268 ( -4.693 0.936 -0.205) 4.790 40.940 ( -1.788 -1.100 -0.036) 2.100 ======================= Grid point 297 (203/266) ======================= q-point: ( 0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( -18.924 5.025 -0.000) 19.580 2.797 ( -10.880 -3.863 -0.000) 11.545 2.803 ( -1.907 -3.324 -0.000) 3.832 4.077 ( 0.494 16.469 0.000) 16.476 4.672 ( 4.730 -2.228 0.000) 5.228 5.711 ( 0.488 -9.379 -0.000) 9.392 5.824 ( 7.562 -4.189 0.000) 8.644 6.843 ( 2.067 12.110 0.000) 12.286 7.202 ( 7.363 -3.829 0.000) 8.299 7.774 ( -8.359 10.182 0.000) 13.173 9.213 ( 1.706 -15.392 -0.000) 15.486 10.029 ( 14.315 4.286 0.000) 14.943 10.474 ( -3.015 12.205 0.000) 12.572 12.244 ( 2.790 4.361 0.000) 5.177 13.755 ( -16.214 -1.732 -0.000) 16.306 14.216 ( 14.334 9.623 0.000) 17.264 15.615 ( 6.408 22.008 0.000) 22.922 19.144 ( -0.078 -14.835 -0.000) 14.836 21.862 ( -0.008 -8.693 -0.000) 8.693 30.256 ( 5.828 -2.393 0.000) 6.300 41.174 ( 0.603 0.250 0.000) 0.653 ======================= Grid point 298 (204/266) ======================= q-point: (-0.20 -0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( -3.097 -0.000 -2.595) 4.041 2.754 ( 0.721 0.000 0.127) 0.732 2.888 ( -15.813 0.000 10.668) 19.075 3.813 ( -8.091 -0.000 -18.474) 20.168 4.912 ( 2.244 0.000 14.685) 14.855 5.590 ( -18.879 -0.000 -7.899) 20.465 6.406 ( -15.506 0.000 9.600) 18.237 7.237 ( -8.179 -0.000 -7.998) 11.440 7.985 ( -13.493 0.000 10.502) 17.099 8.001 ( -13.206 -0.000 -11.861) 17.751 8.664 ( -9.143 -0.000 -7.668) 11.933 9.019 ( 1.433 -0.000 -15.761) 15.826 10.685 ( 11.061 0.000 42.202) 43.628 11.221 ( -9.345 -0.000 -1.592) 9.479 12.202 ( -1.741 -0.000 -20.358) 20.432 13.570 ( 0.777 0.000 2.454) 2.574 17.121 ( -15.816 -0.000 1.954) 15.936 20.820 ( -0.738 -0.000 0.004) 0.738 23.701 ( 19.210 -0.000 -5.947) 20.110 28.529 ( -2.282 -0.000 0.018) 2.282 41.318 ( -0.568 0.000 0.592) 0.821 ======================= Grid point 300 (205/266) ======================= q-point: ( 0.34 -0.34 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( -6.683 -11.868 -0.000) 13.620 3.088 ( -26.800 1.922 -0.000) 26.868 3.100 ( -17.400 2.012 -0.000) 17.516 4.348 ( 2.297 12.379 0.000) 12.591 4.424 ( 7.174 -8.532 -0.000) 11.148 5.409 ( 7.323 -13.719 -0.000) 15.551 5.512 ( 10.603 -7.009 -0.000) 12.710 6.911 ( 6.354 -9.358 -0.000) 11.311 7.050 ( -0.555 10.484 0.000) 10.499 8.078 ( -7.744 2.871 -0.000) 8.259 8.840 ( 5.136 -14.929 -0.000) 15.788 9.697 ( 19.663 -0.446 0.000) 19.668 10.824 ( -6.172 12.990 0.000) 14.382 12.195 ( 9.983 3.230 0.000) 10.493 13.864 ( 28.072 -1.232 0.000) 28.099 14.196 ( -27.271 1.007 -0.000) 27.290 15.462 ( 10.911 -16.697 -0.000) 19.946 19.157 ( -0.203 14.012 0.000) 14.013 21.869 ( 0.057 8.924 0.000) 8.924 30.024 ( 9.238 -5.099 0.000) 10.552 41.150 ( 1.545 -0.224 0.000) 1.561 ======================= Grid point 305 (206/266) ======================= q-point: (-0.59 -0.41 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( -12.564 -14.206 -0.000) 18.965 3.508 ( -16.248 1.922 -0.000) 16.361 3.639 ( -24.523 -0.601 -0.000) 24.531 4.083 ( 6.719 -10.116 -0.000) 12.144 4.492 ( 5.623 9.731 0.000) 11.238 4.904 ( 9.067 -14.138 -0.000) 16.796 5.182 ( 5.715 -6.626 -0.000) 8.750 6.632 ( 1.069 -9.103 -0.000) 9.165 7.324 ( -2.997 12.442 0.000) 12.798 8.210 ( -7.181 -3.917 -0.000) 8.180 8.379 ( 8.822 -14.340 -0.000) 16.836 9.325 ( 13.950 -1.043 0.000) 13.989 11.251 ( -7.746 14.314 0.000) 16.275 12.020 ( 13.741 4.974 0.000) 14.613 13.102 ( 35.180 -8.516 0.000) 36.196 14.557 ( -0.759 -28.981 -0.000) 28.991 15.002 ( -21.550 0.563 -0.000) 21.557 19.566 ( 2.167 24.245 0.000) 24.342 22.169 ( 3.317 21.567 0.000) 21.820 29.690 ( 9.871 -8.010 -0.000) 12.712 41.118 ( 1.771 0.797 0.000) 1.942 ======================= Grid point 309 (207/266) ======================= q-point: (-0.51 -0.49 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( -17.183 -13.434 -0.000) 21.812 3.693 ( -3.426 -5.899 -0.000) 6.822 3.744 ( 4.984 -11.463 -0.000) 12.500 3.980 ( -13.215 -4.041 -0.000) 13.819 4.516 ( 4.519 5.277 0.000) 6.948 4.827 ( -8.724 11.821 0.000) 14.691 5.120 ( -7.723 0.202 -0.000) 7.726 6.526 ( -4.924 -4.538 -0.000) 6.696 7.531 ( 11.475 8.760 0.000) 14.436 8.150 ( -13.063 -3.026 -0.000) 13.409 8.253 ( -8.344 -6.203 -0.000) 10.397 9.109 ( 7.990 1.582 0.000) 8.145 11.677 ( -2.762 12.947 0.000) 13.238 11.909 ( 9.537 7.894 0.000) 12.380 12.179 ( 31.331 -11.678 0.000) 33.437 13.754 ( 7.139 -31.115 -0.000) 31.923 15.719 ( -28.703 9.167 -0.000) 30.132 19.990 ( 3.576 21.997 0.000) 22.286 22.549 ( 8.421 25.566 0.000) 26.918 29.325 ( 7.289 -9.932 -0.000) 12.320 41.120 ( 1.424 2.599 0.000) 2.964 ======================= Grid point 315 (208/266) ======================= q-point: (-0.44 -0.56 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( -16.586 -11.031 -0.000) 19.920 3.398 ( 3.445 -13.766 -0.000) 14.191 3.470 ( 3.460 -11.873 -0.000) 12.367 4.102 ( -8.724 -2.705 -0.000) 9.133 4.581 ( 2.078 4.226 0.000) 4.709 5.435 ( -13.308 6.507 -0.000) 14.814 5.617 ( -20.265 30.295 0.000) 36.448 6.653 ( -9.200 3.527 -0.000) 9.853 7.373 ( 11.478 4.233 0.000) 12.234 8.315 ( -9.287 -4.880 -0.000) 10.491 8.600 ( -19.531 4.649 -0.000) 20.077 9.084 ( 1.560 7.127 0.000) 7.295 11.128 ( 33.712 -13.129 0.000) 36.178 11.928 ( -0.254 0.333 0.000) 0.419 12.130 ( -6.794 8.568 0.000) 10.935 13.131 ( 8.937 -10.593 -0.000) 13.859 16.451 ( -21.508 11.703 -0.000) 24.486 20.324 ( 2.791 16.934 0.000) 17.163 22.849 ( 11.335 22.907 0.000) 25.558 29.010 ( 2.998 -10.151 -0.000) 10.585 41.166 ( 0.837 3.875 0.000) 3.965 ======================= Grid point 319 (209/266) ======================= q-point: (-0.36 -0.64 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( -7.369 -10.422 -0.000) 12.764 3.052 ( 3.055 -13.031 -0.000) 13.385 3.223 ( -2.516 -7.906 -0.000) 8.297 4.280 ( -11.922 -0.096 -0.000) 11.923 4.542 ( 7.636 1.447 0.000) 7.771 5.820 ( -7.919 8.189 0.000) 11.391 6.444 ( -11.789 9.437 0.000) 15.101 7.161 ( -11.604 26.578 0.000) 29.000 7.289 ( 7.676 5.956 0.000) 9.715 8.426 ( -9.666 -3.035 -0.000) 10.131 8.837 ( -0.479 0.224 -0.000) 0.528 9.442 ( -16.185 9.220 -0.000) 18.627 10.201 ( 27.869 -15.320 0.000) 31.803 11.810 ( -4.554 -16.297 -0.000) 16.922 12.395 ( -4.807 5.425 0.000) 7.248 13.047 ( 6.763 15.742 0.000) 17.133 17.038 ( -11.148 12.499 0.000) 16.749 20.584 ( 0.889 12.009 0.000) 12.042 23.040 ( 9.723 16.711 0.000) 19.334 28.788 ( -0.095 -8.783 -0.000) 8.783 41.237 ( 0.182 3.786 0.000) 3.791 ======================= Grid point 324 (210/266) ======================= q-point: (-0.29 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 0.000 -11.062 -25.468) 27.767 1.507 ( 0.000 -8.379 -29.166) 30.346 2.706 ( 0.000 -25.091 -49.716) 55.689 2.818 ( -0.000 0.474 7.749) 7.764 2.979 ( -0.000 -4.095 5.710) 7.026 5.019 ( -0.000 -11.612 -4.747) 12.545 5.570 ( 0.000 14.564 -2.124) 14.718 6.218 ( -0.000 0.377 25.422) 25.425 6.517 ( -0.000 -5.196 13.260) 14.242 7.033 ( 0.000 8.647 6.172) 10.624 7.686 ( -0.000 -22.972 22.043) 31.837 9.164 ( 0.000 -5.806 -5.586) 8.057 10.356 ( -0.000 -18.212 -7.429) 19.668 11.669 ( -0.000 -5.723 -0.028) 5.723 12.101 ( -0.000 -15.501 -0.929) 15.529 13.909 ( 0.000 1.555 -0.022) 1.555 15.078 ( 0.000 48.667 -22.762) 53.727 20.914 ( -0.000 -9.864 5.812) 11.449 25.820 ( 0.000 51.011 -22.839) 55.891 28.859 ( -0.000 -33.841 21.257) 39.963 41.011 ( -0.000 -0.968 0.139) 0.978 ======================= Grid point 325 (211/266) ======================= q-point: (-0.29 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( -2.637 -6.917 -0.000) 7.403 2.751 ( 4.704 -8.459 -0.000) 9.679 3.207 ( -2.607 -2.486 -0.000) 3.603 4.352 ( 11.621 -0.233 0.000) 11.623 4.566 ( -15.181 0.682 -0.000) 15.197 6.026 ( 2.804 5.409 0.000) 6.092 6.625 ( -0.881 0.045 -0.000) 0.882 7.273 ( 7.161 5.909 0.000) 9.284 7.861 ( -0.153 24.027 0.000) 24.028 8.545 ( -8.510 -6.345 -0.000) 10.615 8.764 ( 6.091 -0.466 0.000) 6.109 9.432 ( 19.391 -10.175 0.000) 21.898 9.943 ( -17.798 5.001 -0.000) 18.487 11.536 ( 0.426 -12.750 -0.000) 12.757 12.553 ( -3.217 2.236 0.000) 3.917 13.302 ( 2.022 13.394 0.000) 13.545 17.389 ( -0.996 9.138 0.000) 9.192 20.770 ( -0.011 6.402 0.000) 6.402 23.156 ( 4.512 8.694 0.000) 9.795 28.643 ( -0.245 -5.787 -0.000) 5.792 41.303 ( -0.357 2.269 0.000) 2.297 ======================= Grid point 328 (212/266) ======================= q-point: (-0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 8.120 0.000 0.000) 8.120 2.666 ( -4.012 -0.000 -0.000) 4.012 3.135 ( 7.707 0.000 0.000) 7.707 4.100 ( 12.087 0.000 0.000) 12.087 4.896 ( -15.814 -0.000 -0.000) 15.814 5.895 ( 15.591 0.000 0.000) 15.591 6.559 ( 6.231 0.000 0.000) 6.231 7.179 ( 10.074 0.000 0.000) 10.074 8.061 ( 9.926 0.000 0.000) 9.926 8.471 ( -1.463 -0.000 -0.000) 1.463 8.598 ( 9.260 0.000 0.000) 9.260 9.077 ( 10.063 0.000 0.000) 10.063 10.355 ( -17.077 -0.000 -0.000) 17.077 11.312 ( 7.155 0.000 0.000) 7.155 12.629 ( -2.309 -0.000 -0.000) 2.309 13.411 ( 2.050 0.000 0.000) 2.050 17.432 ( 6.603 0.000 0.000) 6.603 20.832 ( 0.403 0.000 0.000) 0.403 23.220 ( -2.034 -0.000 -0.000) 2.034 28.567 ( 1.282 0.000 0.000) 1.282 41.338 ( -0.758 -0.000 -0.000) 0.758 ======================= Grid point 329 (213/266) ======================= q-point: (-0.21 -0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -17.681 -0.000 -26.040) 31.475 1.524 ( -9.300 -0.000 -29.019) 30.473 2.607 ( -19.939 -0.000 -46.946) 51.005 2.925 ( 0.896 0.000 6.666) 6.726 2.929 ( -8.717 0.000 4.112) 9.639 4.874 ( -0.813 0.000 4.953) 5.019 5.917 ( -8.035 -0.000 -9.670) 12.573 6.195 ( -2.428 0.000 26.209) 26.322 6.500 ( -2.989 0.000 5.843) 6.563 7.328 ( -20.554 0.000 11.578) 23.591 7.497 ( -4.493 0.000 20.056) 20.554 9.027 ( 6.639 -0.000 -11.374) 13.170 10.225 ( -6.349 -0.000 -5.930) 8.688 11.604 ( -4.295 0.000 5.811) 7.226 11.943 ( 2.472 -0.000 -3.890) 4.609 13.737 ( 13.624 -0.000 -9.730) 16.742 15.925 ( -16.991 0.000 7.662) 18.639 20.756 ( -0.404 -0.000 0.070) 0.410 26.033 ( 41.307 -0.000 -16.975) 44.659 28.343 ( -1.088 -0.000 -0.055) 1.089 41.088 ( -6.840 0.000 3.404) 7.641 ======================= Grid point 339 (214/266) ======================= q-point: (-0.53 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( -0.000 -13.343 12.889) 18.552 2.300 ( 0.000 -5.503 -8.691) 10.286 2.634 ( -0.000 0.432 5.933) 5.949 3.752 ( 0.000 -11.154 -23.470) 25.985 4.721 ( -0.000 -6.906 -4.127) 8.045 5.254 ( -0.000 -11.286 13.647) 17.709 5.625 ( -0.000 -4.049 22.186) 22.553 6.377 ( -0.000 -21.977 -4.365) 22.406 6.886 ( -0.000 -9.266 7.027) 11.629 7.260 ( 0.000 -9.279 -29.267) 30.703 8.679 ( -0.000 -18.203 29.426) 34.602 9.889 ( -0.000 -11.511 -1.766) 11.645 11.079 ( 0.000 12.866 -11.412) 17.198 12.421 ( -0.000 -8.407 -1.804) 8.599 13.709 ( 0.000 4.057 -0.026) 4.057 13.826 ( -0.000 -24.918 -8.095) 26.200 14.270 ( -0.000 -27.336 -3.731) 27.589 20.260 ( 0.000 26.282 0.464) 26.286 23.069 ( 0.000 44.673 -5.198) 44.974 29.870 ( -0.000 -13.975 7.382) 15.805 41.120 ( -0.000 -2.034 0.107) 2.036 ======================= Grid point 342 (215/266) ======================= q-point: (-0.45 -0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 4.935 -8.277 6.619) 11.691 2.424 ( -20.551 -6.605 -10.232) 23.888 2.835 ( -16.292 -0.822 5.712) 17.284 3.473 ( 1.121 -14.408 -16.192) 21.703 4.448 ( -1.257 -19.554 -17.489) 26.264 5.116 ( 0.955 4.398 13.306) 14.046 5.421 ( 13.346 -5.405 16.442) 21.856 5.992 ( -5.982 -16.249 4.390) 17.863 6.794 ( -11.472 -9.468 4.664) 15.589 7.160 ( -8.053 -8.142 -20.257) 23.270 8.256 ( -0.143 -21.835 27.061) 34.772 9.582 ( 5.673 -10.382 -2.740) 12.143 11.332 ( -2.832 5.800 -14.820) 16.165 12.001 ( -1.740 -26.946 7.527) 28.031 13.158 ( 10.914 -27.224 -6.988) 30.151 13.660 ( 7.905 -2.325 -2.954) 8.753 14.372 ( -21.039 15.042 -6.418) 26.647 20.672 ( 3.000 16.066 1.407) 16.404 23.980 ( 9.598 49.644 -9.867) 51.517 29.477 ( 4.383 -19.421 9.755) 22.171 41.097 ( -1.878 -1.463 0.335) 2.405 ======================= Grid point 347 (216/266) ======================= q-point: (-0.38 -0.37 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -3.482 0.292 3.599) 5.016 2.699 ( -18.954 -12.296 -14.537) 26.866 3.141 ( -15.293 -5.107 -4.151) 16.649 3.154 ( -3.776 -12.452 2.750) 13.300 4.155 ( -8.939 -14.072 -23.963) 29.191 5.005 ( 5.556 -7.734 12.326) 15.576 5.500 ( -7.867 20.291 4.347) 22.193 5.957 ( -9.718 -2.040 9.998) 14.091 6.965 ( -19.065 -5.297 -7.336) 21.103 7.241 ( -11.903 -5.058 -1.776) 13.054 7.895 ( -7.851 -16.660 23.566) 29.909 9.312 ( 3.949 -5.444 -4.813) 8.270 11.169 ( -6.025 -24.958 -8.718) 27.115 11.845 ( -6.320 0.454 1.354) 6.479 12.305 ( 14.879 -27.354 0.514) 31.143 13.551 ( 7.196 5.866 -6.753) 11.481 15.296 ( -23.789 25.549 -1.040) 34.925 20.807 ( 3.826 4.858 1.445) 6.350 24.582 ( 24.015 39.424 -12.083) 47.718 28.952 ( 4.075 -20.895 6.603) 22.289 41.143 ( -3.695 0.197 1.165) 3.879 ======================= Grid point 350 (217/266) ======================= q-point: (-0.31 -0.44 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( -10.702 8.376 1.579) 13.682 2.603 ( -7.651 -16.838 -9.947) 21.000 2.899 ( -0.298 -12.059 2.670) 12.355 3.449 ( -13.695 -1.282 -9.225) 16.562 4.342 ( -24.476 -2.197 -15.874) 29.256 4.971 ( -9.894 -1.537 14.820) 17.885 5.851 ( -7.534 1.146 14.176) 16.095 6.514 ( -18.252 18.678 -13.355) 29.332 7.288 ( -18.314 -0.353 -12.938) 22.426 7.370 ( -11.153 -2.007 10.950) 15.758 8.021 ( -21.002 -2.941 17.794) 27.683 9.174 ( 2.298 -3.448 -11.467) 12.193 10.906 ( -11.467 -15.528 -3.531) 19.624 11.439 ( 14.099 -19.863 16.146) 29.224 12.063 ( -3.383 3.508 -8.744) 10.010 13.568 ( 3.448 5.292 -5.427) 8.328 16.213 ( -19.772 17.650 3.691) 26.760 20.792 ( 0.884 0.164 0.418) 0.991 24.604 ( 31.546 18.635 -11.674) 38.454 28.558 ( -0.710 -12.323 1.411) 12.424 41.232 ( -3.328 0.887 1.635) 3.812 ======================= Grid point 352 (218/266) ======================= q-point: ( 0.23 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 0.000 5.686 0.000) 5.686 2.681 ( -0.000 -3.041 -0.000) 3.041 2.785 ( -0.000 -5.082 -0.000) 5.082 4.082 ( 0.000 16.693 0.000) 16.693 4.721 ( -0.000 -2.594 -0.000) 2.594 5.716 ( -0.000 -7.703 -0.000) 7.703 5.904 ( -0.000 -4.005 -0.000) 4.005 6.860 ( 0.000 9.897 0.000) 9.897 7.300 ( -0.000 -4.479 -0.000) 4.479 7.666 ( 0.000 11.675 0.000) 11.675 9.227 ( -0.000 -15.856 -0.000) 15.856 10.185 ( 0.000 4.649 0.000) 4.649 10.442 ( 0.000 11.881 0.000) 11.881 12.269 ( 0.000 5.115 0.000) 5.115 13.585 ( -0.000 -1.207 -0.000) 1.207 14.363 ( 0.000 10.569 0.000) 10.569 15.681 ( 0.000 22.764 0.000) 22.764 19.144 ( -0.000 -15.415 -0.000) 15.415 21.862 ( -0.000 -9.037 -0.000) 9.037 30.317 ( -0.000 -2.773 -0.000) 2.773 41.180 ( 0.000 0.429 0.000) 0.429 ======================= Grid point 353 (219/266) ======================= q-point: ( 0.23 -0.73 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 377 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.501 ( 0.000 1.899 -0.000) 1.899 3.620 ( 0.000 -0.161 0.000) 0.161 3.781 ( 0.000 1.365 0.000) 1.365 4.359 ( 0.000 4.446 -0.000) 4.446 4.646 ( 0.000 -2.898 -0.000) 2.898 4.851 ( 0.000 -5.866 0.000) 5.866 5.409 ( 0.000 -6.086 -0.000) 6.086 5.778 ( 0.000 -2.987 0.000) 2.987 6.616 ( 0.000 -0.872 0.000) 0.872 8.394 ( 0.000 0.842 0.000) 0.842 8.664 ( 0.000 -11.409 0.000) 11.409 8.747 ( 0.000 -1.682 -0.000) 1.682 10.435 ( 0.000 3.602 0.000) 3.602 10.689 ( -0.000 -1.104 -0.000) 1.104 11.964 ( 0.000 -5.455 0.000) 5.455 14.436 ( 0.000 10.797 0.000) 10.797 16.584 ( 0.000 -1.219 0.000) 1.219 19.231 ( 0.000 -7.175 0.000) 7.175 21.868 ( 0.000 -3.238 0.000) 3.238 29.220 ( 0.000 0.835 0.000) 0.835 40.922 ( 0.000 -1.145 0.000) 1.145 ======================= Grid point 356 (220/266) ======================= q-point: (-0.23 -0.52 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( -4.330 -0.000 -7.125) 8.337 2.552 ( -16.378 0.000 7.276) 17.922 2.759 ( -0.064 0.000 2.825) 2.826 3.647 ( -8.569 -0.000 -16.073) 18.215 4.809 ( -16.082 -0.000 2.365) 16.255 5.212 ( -15.167 0.000 4.299) 15.764 6.081 ( -14.944 0.000 10.931) 18.515 7.017 ( -13.383 -0.000 -12.870) 18.567 7.664 ( -19.470 -0.000 -18.090) 26.577 7.702 ( -14.020 0.000 16.600) 21.728 8.397 ( -17.114 0.000 7.276) 18.596 9.065 ( 2.909 -0.000 -18.604) 18.830 10.947 ( 13.869 0.000 32.667) 35.489 10.998 ( -12.353 -0.000 -2.283) 12.562 12.160 ( -2.428 -0.000 -15.087) 15.281 13.588 ( 1.093 -0.000 -1.559) 1.903 16.771 ( -18.070 -0.000 3.628) 18.431 20.803 ( -0.925 -0.000 0.012) 0.925 24.173 ( 27.372 -0.000 -9.315) 28.914 28.478 ( -2.726 -0.000 0.012) 2.726 41.296 ( -1.816 0.000 1.168) 2.159 ======================= Grid point 358 (221/266) ======================= q-point: ( 0.30 -0.30 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( -2.403 -11.867 -0.000) 12.108 2.616 ( -18.105 2.563 -0.000) 18.285 2.794 ( -12.262 -0.415 -0.000) 12.269 4.378 ( 0.778 12.652 0.000) 12.676 4.537 ( 3.860 -9.881 -0.000) 10.608 5.531 ( 4.337 -8.193 -0.000) 9.270 5.696 ( 6.991 -8.911 -0.000) 11.326 7.013 ( -2.288 4.350 0.000) 4.915 7.053 ( 7.000 -10.474 -0.000) 12.598 7.922 ( -7.093 3.684 -0.000) 7.992 8.897 ( 1.232 -15.239 -0.000) 15.288 10.061 ( 14.157 -1.314 0.000) 14.218 10.721 ( -3.726 12.010 0.000) 12.574 12.338 ( 4.327 4.632 0.000) 6.339 13.750 ( -15.828 1.253 -0.000) 15.878 14.309 ( 15.325 -1.074 0.000) 15.363 15.639 ( 6.207 -19.173 -0.000) 20.152 19.156 ( 0.036 15.709 0.000) 15.709 21.870 ( 0.056 10.138 0.000) 10.138 30.174 ( 5.259 -5.762 -0.000) 7.801 41.172 ( 0.664 -0.507 -0.000) 0.836 ======================= Grid point 361 (222/266) ======================= q-point: (-0.62 -0.38 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( -7.924 -16.098 -0.000) 17.942 3.111 ( -26.226 0.300 -0.000) 26.228 3.147 ( -18.712 2.024 -0.000) 18.822 4.209 ( 5.433 -12.009 -0.000) 13.180 4.566 ( 2.250 8.825 0.000) 9.107 5.151 ( 13.290 -10.701 -0.000) 17.063 5.319 ( 7.164 -11.770 -0.000) 13.779 6.678 ( 3.691 -13.092 -0.000) 13.602 7.189 ( -8.583 3.297 -0.000) 9.195 8.060 ( -7.554 -4.528 -0.000) 8.808 8.524 ( 4.745 -15.866 -0.000) 16.560 9.661 ( 17.900 -3.104 0.000) 18.167 11.096 ( -7.214 13.466 0.000) 15.277 12.263 ( 10.103 2.947 0.000) 10.524 13.739 ( 26.912 -10.946 0.000) 29.052 14.218 ( -24.240 -1.425 -0.000) 24.282 14.907 ( 4.421 -30.383 -0.000) 30.703 19.612 ( 2.324 26.875 0.000) 26.976 22.234 ( 3.045 26.249 0.000) 26.425 29.877 ( 8.301 -9.319 -0.000) 12.480 41.145 ( 0.828 -0.274 0.000) 0.872 ======================= Grid point 367 (223/266) ======================= q-point: (-0.55 -0.45 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( -14.985 -15.587 -0.000) 21.622 3.515 ( -13.910 -2.151 -0.000) 14.075 3.612 ( -22.837 -2.113 -0.000) 22.934 3.845 ( 4.837 -12.959 -0.000) 13.832 4.684 ( 11.376 2.562 0.000) 11.661 4.736 ( -0.337 5.645 0.000) 5.655 5.024 ( -1.534 -8.339 -0.000) 8.479 6.435 ( -3.917 -9.940 -0.000) 10.684 7.517 ( -12.551 6.658 -0.000) 14.207 8.075 ( 4.955 -15.195 -0.000) 15.982 8.080 ( -8.605 -8.087 -0.000) 11.809 9.306 ( 11.848 -0.872 0.000) 11.880 11.540 ( -8.271 13.558 0.000) 15.882 12.096 ( 8.812 0.296 0.000) 8.817 12.848 ( 31.786 -16.365 0.000) 35.751 13.874 ( 4.137 -31.361 -0.000) 31.633 15.131 ( -28.261 9.967 -0.000) 29.967 20.071 ( 4.338 23.370 0.000) 23.769 22.733 ( 9.512 32.389 0.000) 33.757 29.481 ( 7.974 -12.312 -0.000) 14.669 41.140 ( 0.455 1.247 0.000) 1.327 ======================= Grid point 371 (224/266) ======================= q-point: (-0.47 -0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -18.652 -11.216 -0.000) 21.764 3.463 ( 2.871 -15.575 -0.000) 15.838 3.505 ( -0.939 -12.420 -0.000) 12.455 3.908 ( -11.540 -2.850 -0.000) 11.887 4.600 ( 0.647 3.924 0.000) 3.977 5.126 ( -15.772 0.534 -0.000) 15.781 5.274 ( -12.907 28.540 0.000) 31.322 6.452 ( -10.550 -1.834 -0.000) 10.708 7.577 ( 8.600 -3.449 0.000) 9.266 8.116 ( -10.314 -6.535 -0.000) 12.210 8.151 ( -23.868 2.576 -0.000) 24.006 9.159 ( 5.190 3.083 0.000) 6.037 11.789 ( 28.725 -12.928 0.000) 31.500 11.921 ( -0.454 -9.887 -0.000) 9.897 11.994 ( -4.280 4.346 0.000) 6.100 13.310 ( 8.336 -8.637 -0.000) 12.004 15.953 ( -26.893 13.662 -0.000) 30.165 20.393 ( 4.057 16.559 0.000) 17.049 23.120 ( 15.274 28.907 0.000) 32.694 29.087 ( 4.473 -12.948 -0.000) 13.698 41.177 ( 0.150 2.806 0.000) 2.810 ======================= Grid point 377 (225/266) ======================= q-point: (-0.40 -0.60 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( -14.851 -6.527 -0.000) 16.222 3.103 ( 1.867 -14.165 -0.000) 14.288 3.199 ( -0.119 -13.961 -0.000) 13.961 4.064 ( -9.736 -1.122 -0.000) 9.801 4.656 ( 3.425 3.090 0.000) 4.613 5.557 ( -17.607 5.245 -0.000) 18.372 6.145 ( -16.670 15.553 0.000) 22.799 6.889 ( -14.993 23.084 0.000) 27.526 7.402 ( 3.711 -0.853 0.000) 3.808 8.226 ( -10.435 -3.593 -0.000) 11.036 8.668 ( -17.064 2.178 -0.000) 17.202 9.230 ( -3.778 6.542 0.000) 7.554 10.778 ( 28.847 -20.362 -0.000) 35.309 11.698 ( -6.520 -17.791 -0.000) 18.948 12.286 ( -6.004 6.312 0.000) 8.712 13.198 ( 7.870 11.850 0.000) 14.225 16.721 ( -19.605 13.973 0.000) 24.075 20.611 ( 1.825 10.871 0.000) 11.023 23.302 ( 16.136 20.104 0.000) 25.778 28.792 ( 0.523 -10.521 -0.000) 10.534 41.240 ( 0.006 3.227 0.000) 3.227 ======================= Grid point 381 (226/266) ======================= q-point: (-0.32 -0.68 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( -3.873 -6.216 -0.000) 7.324 2.823 ( 2.497 -8.419 -0.000) 8.782 3.090 ( -8.114 -4.692 -0.000) 9.373 4.282 ( -12.748 0.162 -0.000) 12.749 4.565 ( 9.093 0.749 0.000) 9.124 5.953 ( -9.777 4.542 -0.000) 10.780 6.528 ( -8.761 1.168 -0.000) 8.839 7.365 ( 2.067 1.794 0.000) 2.737 7.767 ( -9.336 28.354 0.000) 29.851 8.363 ( -9.173 -3.613 -0.000) 9.859 8.838 ( 0.072 0.021 0.000) 0.075 9.584 ( -16.643 4.603 -0.000) 17.268 9.859 ( 22.662 -16.315 -0.000) 27.924 11.497 ( -4.285 -11.697 -0.000) 12.457 12.479 ( -4.133 2.667 0.000) 4.919 13.356 ( 3.410 11.618 0.000) 12.108 17.273 ( -10.345 9.230 0.000) 13.864 20.770 ( 0.033 6.023 0.000) 6.023 23.321 ( 11.859 9.824 0.000) 15.399 28.630 ( -0.988 -5.917 -0.000) 5.999 41.299 ( -0.135 2.145 0.000) 2.149 ======================= Grid point 386 (227/266) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 0.000 -0.000 -29.541) 29.541 1.423 ( 0.000 -0.000 -32.641) 32.641 2.419 ( 0.000 -0.000 -59.496) 59.496 2.823 ( -0.000 0.000 8.140) 8.140 2.934 ( -0.000 0.000 7.043) 7.043 4.896 ( 0.000 -0.000 -4.706) 4.706 5.834 ( 0.000 -0.000 -9.424) 9.424 6.170 ( -0.000 0.000 29.068) 29.068 6.462 ( -0.000 0.000 13.690) 13.690 7.094 ( -0.000 0.000 7.428) 7.428 7.451 ( -0.000 0.000 20.274) 20.274 9.103 ( 0.000 -0.000 -5.844) 5.844 10.160 ( 0.000 -0.000 -6.126) 6.126 11.555 ( -0.000 0.000 2.206) 2.206 11.972 ( 0.000 -0.000 -2.469) 2.469 13.925 ( 0.000 -0.000 -0.018) 0.018 15.705 ( 0.000 -0.000 -1.707) 1.707 20.752 ( -0.000 0.000 0.076) 0.076 26.536 ( -0.000 0.000 0.495) 0.495 28.332 ( 0.000 -0.000 -0.063) 0.063 41.000 ( -0.000 0.000 0.132) 0.132 ======================= Grid point 387 (228/266) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( -3.163 -0.000 -0.000) 3.163 2.660 ( 5.019 0.000 0.000) 5.019 3.181 ( -2.810 -0.000 -0.000) 2.810 4.349 ( 12.105 0.000 0.000) 12.105 4.573 ( -15.458 -0.000 -0.000) 15.458 6.082 ( 2.575 0.000 0.000) 2.575 6.623 ( -0.277 -0.000 -0.000) 0.277 7.332 ( 4.942 0.000 0.000) 4.942 8.221 ( 5.049 0.000 0.000) 5.049 8.384 ( -7.182 -0.000 -0.000) 7.182 8.760 ( 6.463 0.000 0.000) 6.463 9.312 ( 13.948 0.000 0.000) 13.948 9.995 ( -18.299 -0.000 -0.000) 18.299 11.401 ( 1.501 0.000 0.000) 1.501 12.575 ( -3.015 -0.000 -0.000) 3.015 13.442 ( 1.463 0.000 0.000) 1.463 17.490 ( -1.279 -0.000 -0.000) 1.279 20.836 ( 0.001 0.000 0.000) 0.001 23.248 ( 4.930 0.000 0.000) 4.930 28.580 ( -0.024 -0.000 -0.000) 0.024 41.327 ( -0.372 -0.000 -0.000) 0.372 ======================= Grid point 401 (229/266) ======================= q-point: (-0.49 -0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( -0.000 -6.343 5.424) 8.346 2.165 ( 0.000 -7.582 -12.945) 15.002 2.639 ( -0.000 -0.006 8.215) 8.215 3.485 ( 0.000 -14.687 -16.979) 22.450 4.436 ( -0.000 -20.471 -18.130) 27.345 5.120 ( -0.000 1.258 15.242) 15.294 5.605 ( -0.000 0.340 23.955) 23.957 5.902 ( -0.000 -23.495 -4.205) 23.868 6.670 ( -0.000 -11.191 8.039) 13.779 7.074 ( 0.000 -8.027 -22.811) 24.182 8.254 ( -0.000 -22.952 27.440) 35.774 9.643 ( -0.000 -11.975 -2.465) 12.226 11.300 ( 0.000 6.126 -13.296) 14.640 11.984 ( -0.000 -29.794 6.663) 30.529 13.279 ( -0.000 -29.207 -5.828) 29.783 13.792 ( 0.000 3.855 -0.027) 3.855 14.094 ( 0.000 11.352 -12.563) 16.932 20.703 ( 0.000 16.089 1.612) 16.170 24.081 ( 0.000 52.409 -10.411) 53.433 29.524 ( -0.000 -19.657 11.157) 22.602 41.076 ( -0.000 -2.108 0.116) 2.112 ======================= Grid point 404 (230/266) ======================= q-point: (-0.42 -0.33 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 6.453 1.579 -4.639) 8.103 2.275 ( -19.875 -7.600 -15.258) 26.183 2.802 ( -14.280 -2.440 6.985) 16.083 3.145 ( -0.168 -17.030 -3.817) 17.453 4.035 ( -3.525 -18.165 -30.637) 35.792 5.208 ( 12.465 -14.165 8.567) 20.722 5.357 ( -4.892 16.506 2.238) 17.361 5.783 ( -8.534 -3.235 17.230) 19.498 6.604 ( -14.493 -8.486 5.051) 17.538 7.040 ( -7.651 -3.221 -9.473) 12.596 7.784 ( -3.412 -23.309 24.175) 33.754 9.384 ( 2.837 -8.443 -3.794) 9.681 11.068 ( -3.702 -28.857 -8.424) 30.288 11.730 ( -4.483 1.398 2.744) 5.438 12.546 ( 8.664 -30.415 -1.758) 31.674 13.727 ( 9.770 5.394 -4.414) 12.001 14.845 ( -19.755 29.968 -7.402) 36.649 20.874 ( 2.549 3.420 2.247) 4.821 24.999 ( 15.723 47.705 -13.182) 51.930 29.032 ( 3.430 -23.186 10.763) 25.791 41.070 ( -3.078 -1.091 0.575) 3.316 ======================= Grid point 409 (231/266) ======================= q-point: (-0.34 -0.41 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -2.116 9.942 -6.557) 12.096 2.417 ( -11.599 -14.079 -17.038) 24.962 2.881 ( -1.813 -11.025 4.256) 11.956 3.083 ( -20.842 -2.467 3.463) 21.271 3.938 ( -14.376 -6.954 -31.923) 35.695 4.836 ( -1.662 -6.995 11.007) 13.147 5.731 ( -5.663 1.883 19.202) 20.108 6.169 ( -15.057 18.340 -8.967) 25.367 6.860 ( -21.649 -4.849 -7.910) 23.553 7.193 ( -8.247 0.711 10.854) 13.651 7.614 ( -17.912 -9.801 19.443) 28.194 9.217 ( 1.835 -3.738 -8.423) 9.396 10.688 ( -9.623 -18.069 -3.888) 20.838 11.658 ( 6.424 -19.838 7.002) 21.997 12.014 ( -0.360 0.699 -3.927) 4.004 13.666 ( 6.469 4.356 -6.340) 10.051 15.829 ( -18.048 23.158 2.330) 29.453 20.813 ( 1.185 -2.881 0.898) 3.242 25.268 ( 32.844 25.238 -12.628) 43.303 28.555 ( 0.404 -15.916 3.045) 16.210 41.148 ( -4.765 0.228 1.770) 5.088 ======================= Grid point 412 (232/266) ======================= q-point: (-0.27 -0.48 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( -10.695 -0.000 0.559) 10.709 2.299 ( -5.988 -0.000 -13.210) 14.504 2.755 ( -0.218 0.000 6.418) 6.422 3.437 ( -13.562 -0.000 -10.577) 17.199 4.321 ( -26.968 -0.000 -16.719) 31.730 4.954 ( -12.346 0.000 14.434) 18.994 5.854 ( -7.386 0.000 16.407) 17.993 6.712 ( -16.266 -0.000 -15.104) 22.197 7.239 ( -21.969 -0.000 -19.106) 29.115 7.436 ( -11.973 0.000 20.043) 23.346 7.987 ( -22.799 0.000 15.597) 27.624 9.126 ( 2.881 -0.000 -16.098) 16.354 10.738 ( -12.903 -0.000 -2.876) 13.220 11.215 ( 12.109 0.000 21.510) 24.684 12.102 ( -3.281 -0.000 -9.597) 10.142 13.624 ( 2.820 -0.000 -5.284) 5.990 16.414 ( -16.870 0.000 5.233) 17.663 20.784 ( -0.928 -0.000 0.025) 0.928 24.802 ( 34.552 -0.000 -12.084) 36.604 28.423 ( -2.599 -0.000 -0.003) 2.599 41.241 ( -3.627 0.000 1.847) 4.071 ======================= Grid point 414 (233/266) ======================= q-point: ( 0.27 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 0.000 2.796 0.000) 2.796 2.621 ( -0.000 -10.633 -0.000) 10.633 2.623 ( -0.000 -2.567 -0.000) 2.567 4.385 ( 0.000 12.724 0.000) 12.724 4.576 ( -0.000 -10.314 -0.000) 10.314 5.576 ( -0.000 -6.128 -0.000) 6.128 5.771 ( -0.000 -9.658 -0.000) 9.658 6.985 ( 0.000 2.249 0.000) 2.249 7.139 ( -0.000 -11.188 -0.000) 11.188 7.837 ( 0.000 4.512 0.000) 4.512 8.908 ( -0.000 -15.240 -0.000) 15.240 10.211 ( -0.000 -2.066 -0.000) 2.066 10.682 ( 0.000 11.634 0.000) 11.634 12.379 ( 0.000 5.487 0.000) 5.487 13.586 ( 0.000 1.244 0.000) 1.244 14.466 ( -0.000 -1.078 -0.000) 1.078 15.703 ( -0.000 -20.117 -0.000) 20.117 19.156 ( 0.000 16.368 0.000) 16.368 21.871 ( 0.000 10.602 0.000) 10.602 30.228 ( -0.000 -6.004 -0.000) 6.004 41.178 ( -0.000 -0.615 -0.000) 0.615 ======================= Grid point 420 (234/266) ======================= q-point: (-0.66 -0.34 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 0.069 -14.878 -0.000) 14.878 2.645 ( -17.994 0.259 -0.000) 17.996 2.784 ( -16.135 -0.526 -0.000) 16.143 4.296 ( 3.041 -13.117 -0.000) 13.465 4.597 ( 0.920 8.683 0.000) 8.732 5.377 ( 8.086 -6.615 -0.000) 10.447 5.447 ( 4.938 -15.181 -0.000) 15.964 6.776 ( 5.261 -16.319 -0.000) 17.146 7.028 ( -6.435 -2.626 -0.000) 6.950 7.914 ( -6.288 -4.399 -0.000) 7.674 8.581 ( 1.414 -15.677 -0.000) 15.741 9.980 ( 12.068 -6.331 0.000) 13.628 10.975 ( -4.409 12.744 0.000) 13.485 12.423 ( 5.567 2.960 0.000) 6.305 13.797 ( -15.575 2.762 -0.000) 15.818 14.163 ( 14.481 -13.011 -0.000) 19.467 14.995 ( 3.334 -37.823 -0.000) 37.970 19.653 ( 1.543 28.768 0.000) 28.809 22.286 ( 1.872 29.846 0.000) 29.905 30.012 ( 4.774 -10.109 -0.000) 11.180 41.154 ( 0.207 -1.159 -0.000) 1.177 ======================= Grid point 424 (235/266) ======================= q-point: (-0.58 -0.42 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -7.513 -15.837 -0.000) 17.529 3.100 ( -26.206 -1.343 -0.000) 26.240 3.166 ( -19.500 -0.542 -0.000) 19.508 3.937 ( 4.133 -14.456 -0.000) 15.035 4.732 ( 0.892 8.597 0.000) 8.643 4.990 ( 15.810 -5.092 0.000) 16.610 5.038 ( 2.234 -14.894 -0.000) 15.061 6.380 ( -1.164 -15.598 -0.000) 15.641 7.199 ( -16.262 -1.896 -0.000) 16.372 7.908 ( -8.331 -9.669 -0.000) 12.763 8.185 ( 4.295 -17.159 -0.000) 17.688 9.574 ( 13.683 -5.116 0.000) 14.608 11.374 ( -7.761 13.350 0.000) 15.442 12.260 ( 7.293 -5.921 -0.000) 9.394 13.416 ( 23.694 -20.324 -0.000) 31.216 13.898 ( -2.262 -25.798 -0.000) 25.897 14.631 ( -19.677 4.647 -0.000) 20.219 20.159 ( 4.109 24.621 0.000) 24.961 22.920 ( 8.682 39.426 0.000) 40.371 29.636 ( 6.976 -14.252 -0.000) 15.868 41.139 ( -0.477 -0.262 -0.000) 0.544 ======================= Grid point 430 (236/266) ======================= q-point: (-0.51 -0.49 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -15.406 -11.090 -0.000) 18.982 3.397 ( -10.099 -9.298 -0.000) 13.728 3.482 ( -6.548 -14.421 -0.000) 15.838 3.622 ( -11.659 -4.592 -0.000) 12.530 4.665 ( 7.156 -0.174 0.000) 7.158 4.860 ( -9.549 -7.156 -0.000) 11.932 5.091 ( -5.995 23.722 0.000) 24.468 6.239 ( -10.107 -8.243 -0.000) 13.042 7.612 ( -20.101 2.867 -0.000) 20.304 7.756 ( 0.065 -15.656 -0.000) 15.656 7.902 ( -10.700 -8.621 -0.000) 13.741 9.291 ( 7.827 -0.545 0.000) 7.846 11.800 ( -8.218 11.538 0.000) 14.165 11.912 ( -0.372 -19.611 -0.000) 19.614 12.428 ( 27.420 -24.283 -0.000) 36.627 13.456 ( 6.065 -7.169 -0.000) 9.390 15.397 ( -27.396 15.879 -0.000) 31.665 20.484 ( 4.826 16.121 0.000) 16.828 23.456 ( 17.487 36.593 0.000) 40.557 29.187 ( 5.284 -16.058 -0.000) 16.905 41.168 ( -1.109 1.399 0.000) 1.785 ======================= Grid point 434 (237/266) ======================= q-point: (-0.43 -0.57 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -17.464 -3.555 -0.000) 17.822 3.127 ( 0.551 -16.200 -0.000) 16.209 3.197 ( -0.752 -17.028 -0.000) 17.045 3.864 ( -10.878 -1.393 -0.000) 10.967 4.678 ( -0.926 3.416 0.000) 3.539 5.144 ( -21.914 1.162 -0.000) 21.945 5.821 ( -14.200 17.957 0.000) 22.893 6.560 ( -17.425 17.238 0.000) 24.511 7.447 ( 0.857 -7.990 -0.000) 8.036 7.999 ( -12.058 -4.696 -0.000) 12.941 8.214 ( -26.156 2.927 -0.000) 26.319 9.228 ( 2.055 3.401 0.000) 3.974 11.351 ( 27.337 -25.374 -0.000) 37.298 11.552 ( -7.650 -21.535 -0.000) 22.853 12.154 ( -6.968 7.456 0.000) 10.205 13.353 ( 7.247 8.495 0.000) 11.166 16.272 ( -24.072 16.670 0.000) 29.280 20.658 ( 2.758 9.091 0.000) 9.500 23.690 ( 22.014 25.229 0.000) 33.483 28.810 ( 1.232 -13.310 -0.000) 13.367 41.231 ( -1.029 2.348 0.000) 2.563 ======================= Grid point 440 (238/266) ======================= q-point: (-0.36 -0.64 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( -8.935 -0.095 -0.000) 8.936 2.852 ( 0.338 -9.280 -0.000) 9.286 2.924 ( -7.054 -11.907 -0.000) 13.839 4.050 ( -10.305 -0.275 -0.000) 10.308 4.706 ( 4.494 1.654 0.000) 4.789 5.645 ( -20.188 3.121 -0.000) 20.428 6.282 ( -14.952 1.621 -0.000) 15.040 7.363 ( -2.061 -2.241 -0.000) 3.044 7.497 ( -16.717 29.477 0.000) 33.887 8.167 ( -10.604 -2.347 -0.000) 10.861 8.698 ( -15.110 0.917 -0.000) 15.138 9.338 ( -6.435 3.725 -0.000) 7.435 10.338 ( 24.375 -20.238 -0.000) 31.681 11.367 ( -8.378 -12.208 -0.000) 14.806 12.385 ( -5.109 3.250 0.000) 6.055 13.436 ( 4.359 9.130 0.000) 10.117 16.985 ( -17.521 10.433 -0.000) 20.392 20.771 ( 0.145 4.862 0.000) 4.864 23.638 ( 19.582 11.757 0.000) 22.840 28.605 ( -1.491 -6.993 -0.000) 7.150 41.293 ( -0.586 1.826 0.000) 1.917 ======================= Grid point 444 (239/266) ======================= q-point: (-0.29 -0.71 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( -2.162 -0.000 -0.000) 2.162 2.733 ( 2.244 0.000 0.000) 2.244 3.040 ( -10.586 -0.000 -0.000) 10.586 4.284 ( -12.989 -0.000 -0.000) 12.989 4.572 ( 9.599 0.000 0.000) 9.599 6.001 ( -10.381 -0.000 -0.000) 10.381 6.536 ( -8.410 -0.000 -0.000) 8.410 7.380 ( -0.051 -0.000 -0.000) 0.051 8.179 ( -13.079 -0.000 -0.000) 13.079 8.247 ( -2.477 -0.000 -0.000) 2.477 8.838 ( 0.297 0.000 0.000) 0.297 9.632 ( -16.781 -0.000 -0.000) 16.781 9.654 ( 19.731 0.000 0.000) 19.731 11.373 ( -4.178 -0.000 -0.000) 4.178 12.506 ( -3.869 -0.000 -0.000) 3.869 13.479 ( 2.261 0.000 0.000) 2.261 17.374 ( -9.987 -0.000 -0.000) 9.987 20.832 ( -0.408 -0.000 -0.000) 0.408 23.424 ( 12.637 0.000 0.000) 12.637 28.566 ( -1.316 -0.000 -0.000) 1.316 41.322 ( -0.251 -0.000 -0.000) 0.251 ======================= Grid point 464 (240/266) ======================= q-point: (-0.45 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 0.000 2.249 -8.294) 8.594 1.997 ( 0.000 -8.409 -17.856) 19.737 2.634 ( -0.000 -0.441 10.375) 10.385 3.144 ( -0.000 -18.167 -3.734) 18.547 4.001 ( 0.000 -19.267 -32.972) 38.189 5.275 ( 0.000 11.466 5.869) 12.881 5.444 ( -0.000 -20.144 -4.062) 20.549 5.631 ( -0.000 3.699 26.361) 26.620 6.447 ( -0.000 -9.975 9.014) 13.444 6.958 ( 0.000 -2.946 -11.111) 11.495 7.750 ( -0.000 -25.293 24.230) 35.026 9.415 ( -0.000 -9.729 -3.065) 10.200 11.029 ( -0.000 -30.170 -8.409) 31.320 11.682 ( -0.000 1.460 3.191) 3.509 12.637 ( -0.000 -31.572 -1.770) 31.622 13.863 ( 0.000 2.912 -0.023) 2.912 14.604 ( 0.000 34.343 -14.182) 37.156 20.901 ( -0.000 2.921 2.619) 3.923 25.166 ( 0.000 51.353 -13.358) 53.062 29.070 ( -0.000 -23.855 13.031) 27.182 41.036 ( -0.000 -1.715 0.109) 1.719 ======================= Grid point 467 (241/266) ======================= q-point: (-0.38 -0.37 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 728 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( -0.242 4.143 -18.321) 18.786 2.129 ( -13.795 -6.173 -20.969) 25.848 2.726 ( -10.622 -4.625 9.414) 14.928 2.849 ( -2.536 -9.285 9.188) 13.306 3.739 ( -6.056 -10.401 -43.566) 45.198 4.933 ( 10.238 -10.581 4.445) 15.380 5.588 ( -8.573 3.337 20.695) 22.648 5.932 ( -8.034 16.220 -2.061) 18.218 6.461 ( -16.291 -5.096 4.577) 17.672 7.029 ( -7.291 1.846 4.767) 8.904 7.345 ( -8.244 -17.858 19.340) 27.584 9.246 ( 1.009 -4.806 -5.050) 7.044 10.531 ( -5.575 -19.688 -4.152) 20.879 11.691 ( -1.411 -10.533 1.086) 10.683 12.065 ( 3.938 -10.514 -0.754) 11.253 13.817 ( 7.543 3.006 -3.255) 8.748 15.500 ( -13.536 29.422 -2.901) 32.516 20.836 ( 0.938 -5.476 1.503) 5.755 25.856 ( 22.983 33.020 -10.216) 41.508 28.573 ( 1.183 -19.472 5.955) 20.396 41.053 ( -4.044 -0.537 0.905) 4.179 ======================= Grid point 472 (242/266) ======================= q-point: (-0.30 -0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -4.957 -0.000 -11.340) 12.376 2.169 ( -6.584 -0.000 -19.404) 20.491 2.752 ( -0.162 0.000 9.548) 9.550 3.055 ( -22.932 -0.000 3.217) 23.156 3.867 ( -16.541 -0.000 -34.612) 38.361 4.759 ( -4.544 0.000 10.312) 11.269 5.740 ( -5.173 0.000 24.155) 24.703 6.390 ( -14.715 -0.000 -14.463) 20.633 6.796 ( -21.352 -0.000 -11.159) 24.092 7.226 ( -8.668 0.000 20.512) 22.268 7.511 ( -23.037 0.000 15.720) 27.890 9.173 ( 1.684 -0.000 -11.009) 11.137 10.495 ( -10.694 -0.000 -3.338) 11.203 11.416 ( 7.367 0.000 10.975) 13.219 12.037 ( -2.722 -0.000 -5.199) 5.869 13.712 ( 5.944 -0.000 -6.026) 8.464 16.097 ( -14.320 0.000 5.079) 15.194 20.767 ( -0.745 -0.000 0.039) 0.746 25.541 ( 37.289 -0.000 -11.496) 39.021 28.376 ( -1.995 -0.000 -0.023) 1.995 41.151 ( -5.142 0.000 2.071) 5.543 ======================= Grid point 477 (243/266) ======================= q-point: (-0.69 -0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( -0.000 -13.588 -0.000) 13.588 2.452 ( 0.000 0.115 0.000) 0.115 2.575 ( -0.000 -2.097 -0.000) 2.097 4.327 ( -0.000 -13.454 -0.000) 13.454 4.606 ( 0.000 8.789 0.000) 8.789 5.460 ( -0.000 -5.133 -0.000) 5.133 5.500 ( -0.000 -16.465 -0.000) 16.465 6.841 ( -0.000 -17.575 -0.000) 17.575 6.958 ( -0.000 -4.623 -0.000) 4.623 7.842 ( -0.000 -4.054 -0.000) 4.054 8.594 ( -0.000 -15.527 -0.000) 15.527 10.107 ( -0.000 -7.795 -0.000) 7.795 10.929 ( 0.000 12.422 0.000) 12.422 12.481 ( 0.000 3.566 0.000) 3.566 13.633 ( 0.000 3.201 0.000) 3.201 14.311 ( -0.000 -13.806 -0.000) 13.806 15.029 ( -0.000 -39.809 -0.000) 39.809 19.670 ( 0.000 29.456 0.000) 29.456 22.305 ( 0.000 31.211 0.000) 31.211 30.062 ( -0.000 -10.363 -0.000) 10.363 41.156 ( -0.000 -1.509 -0.000) 1.509 ======================= Grid point 484 (244/266) ======================= q-point: (-0.62 -0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 2.885 -13.239 -0.000) 13.550 2.627 ( -18.506 -1.959 -0.000) 18.610 2.770 ( -18.340 -1.004 -0.000) 18.368 4.006 ( 2.501 -15.180 -0.000) 15.385 4.750 ( 0.688 7.089 0.000) 7.123 5.089 ( 2.206 -18.910 -0.000) 19.039 5.266 ( 10.109 -4.300 0.000) 10.985 6.394 ( 2.198 -20.381 -0.000) 20.499 6.919 ( -10.470 -7.552 -0.000) 12.909 7.754 ( -6.328 -10.586 -0.000) 12.333 8.241 ( 1.523 -17.653 -0.000) 17.719 9.813 ( 8.931 -9.421 -0.000) 12.982 11.242 ( -4.882 13.017 0.000) 13.902 12.385 ( 4.723 -10.144 -0.000) 11.189 13.786 ( 12.565 -23.210 -0.000) 26.393 13.791 ( -6.729 -6.263 -0.000) 9.192 14.368 ( -6.945 -14.295 -0.000) 15.893 20.228 ( 2.549 25.504 0.000) 25.631 23.066 ( 5.314 44.934 0.000) 45.248 29.751 ( 4.142 -15.428 -0.000) 15.974 41.126 ( -0.645 -1.532 -0.000) 1.663 ======================= Grid point 488 (245/266) ======================= q-point: (-0.54 -0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -5.007 -8.780 -0.000) 10.108 3.055 ( -26.257 -3.029 -0.000) 26.431 3.112 ( -17.319 -4.941 -0.000) 18.010 3.607 ( 2.405 -17.715 -0.000) 17.877 4.741 ( -2.840 -13.038 -0.000) 13.344 4.893 ( 14.315 -4.192 0.000) 14.916 5.000 ( -3.403 17.479 0.000) 17.807 6.061 ( -7.085 -14.491 -0.000) 16.130 7.129 ( -23.111 -4.463 -0.000) 23.538 7.690 ( -10.076 -10.789 -0.000) 14.762 7.816 ( 2.421 -18.603 -0.000) 18.760 9.462 ( 8.533 -5.462 -0.000) 10.131 11.634 ( -7.853 11.646 0.000) 14.047 11.906 ( -0.155 -28.115 -0.000) 28.115 12.914 ( 20.106 -28.058 -0.000) 34.518 13.564 ( 5.135 -4.229 -0.000) 6.652 14.872 ( -24.056 16.996 0.000) 29.455 20.581 ( 4.540 15.758 0.000) 16.399 23.804 ( 16.243 44.979 0.000) 47.822 29.293 ( 4.984 -18.807 -0.000) 19.456 41.134 ( -2.053 -0.181 -0.000) 2.061 ======================= Grid point 494 (246/266) ======================= q-point: (-0.47 -0.53 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -12.798 -0.238 -0.000) 12.800 3.122 ( -1.469 -18.340 -0.000) 18.399 3.141 ( -5.478 -15.341 -0.000) 16.290 3.576 ( -18.382 -1.189 -0.000) 18.421 4.661 ( 0.804 -0.530 -0.000) 0.963 4.744 ( -15.851 -3.999 -0.000) 16.347 5.590 ( -8.947 17.495 0.000) 19.650 6.199 ( -17.701 10.396 -0.000) 20.528 7.438 ( -2.359 -14.647 -0.000) 14.835 7.650 ( -28.197 0.953 -0.000) 28.213 7.744 ( -12.902 -6.482 -0.000) 14.438 9.287 ( 3.564 0.214 0.000) 3.571 11.397 ( -7.507 -26.386 -0.000) 27.433 11.851 ( 18.877 -27.773 -0.000) 33.581 12.021 ( -3.259 6.577 0.000) 7.340 13.488 ( 6.194 6.483 0.000) 8.967 15.776 ( -24.330 20.370 0.000) 31.731 20.721 ( 3.457 6.928 0.000) 7.742 24.179 ( 25.839 32.197 0.000) 41.283 28.842 ( 1.919 -16.662 -0.000) 16.772 41.195 ( -2.547 1.211 -0.000) 2.820 ======================= Grid point 498 (247/266) ======================= q-point: (-0.40 -0.60 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -13.215 6.815 -0.000) 14.869 2.828 ( -2.799 -18.191 -0.000) 18.405 2.838 ( -1.669 -10.802 -0.000) 10.930 3.847 ( -10.663 -0.406 -0.000) 10.671 4.733 ( -1.942 1.842 0.000) 2.677 5.170 ( -25.510 1.189 -0.000) 25.538 5.962 ( -15.484 0.605 -0.000) 15.496 7.115 ( -20.484 28.679 0.000) 35.243 7.291 ( -4.764 -6.182 -0.000) 7.805 7.926 ( -13.168 -2.328 -0.000) 13.372 8.260 ( -26.677 1.470 -0.000) 26.718 9.288 ( -0.103 2.253 0.000) 2.256 10.827 ( 23.512 -22.988 -0.000) 32.882 11.169 ( -10.910 -13.900 -0.000) 17.670 12.273 ( -5.936 3.948 0.000) 7.129 13.527 ( 4.549 6.773 0.000) 8.159 16.592 ( -20.674 12.813 0.000) 24.322 20.777 ( 0.387 2.955 0.000) 2.980 24.111 ( 27.063 14.748 0.000) 30.821 28.573 ( -1.575 -8.825 -0.000) 8.964 41.270 ( -1.851 1.332 0.000) 2.280 ======================= Grid point 504 (248/266) ======================= q-point: (-0.32 -0.68 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( -1.260 -0.000 -0.000) 1.260 2.752 ( -0.332 -0.000 -0.000) 0.332 2.776 ( -14.936 -0.000 -0.000) 14.936 4.048 ( -10.469 -0.000 -0.000) 10.469 4.723 ( 4.881 0.000 0.000) 4.881 5.678 ( -21.003 -0.000 -0.000) 21.003 6.292 ( -15.183 -0.000 -0.000) 15.183 7.336 ( -4.136 -0.000 -0.000) 4.136 7.861 ( -18.156 -0.000 -0.000) 18.156 8.129 ( -8.832 -0.000 -0.000) 8.832 8.708 ( -14.514 -0.000 -0.000) 14.514 9.377 ( -7.171 -0.000 -0.000) 7.171 10.091 ( 22.836 0.000 0.000) 22.836 11.238 ( -8.978 -0.000 -0.000) 8.978 12.419 ( -4.762 -0.000 -0.000) 4.762 13.533 ( 3.039 0.000 0.000) 3.039 17.101 ( -16.524 -0.000 -0.000) 16.524 20.820 ( -0.741 -0.000 -0.000) 0.741 23.762 ( 20.838 0.000 0.000) 20.838 28.529 ( -2.282 -0.000 -0.000) 2.282 41.312 ( -0.801 -0.000 -0.000) 0.801 ======================= Grid point 528 (249/266) ======================= q-point: (-0.41 -0.34 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 0.000 -6.064 -22.566) 23.367 2.030 ( 0.000 0.077 -23.088) 23.088 2.623 ( -0.000 -0.500 12.088) 12.098 2.821 ( -0.000 -9.928 9.651) 13.846 3.679 ( 0.000 -11.995 -47.900) 49.379 5.108 ( -0.000 -11.715 -3.907) 12.350 5.449 ( -0.000 4.353 26.766) 27.118 5.849 ( 0.000 15.727 0.839) 15.749 6.280 ( -0.000 -5.852 9.701) 11.329 6.946 ( -0.000 1.201 2.207) 2.512 7.266 ( -0.000 -19.845 19.434) 27.776 9.256 ( -0.000 -5.419 -3.473) 6.437 10.473 ( -0.000 -20.195 -4.252) 20.637 11.669 ( -0.000 -7.271 0.011) 7.271 12.112 ( -0.000 -14.494 -0.327) 14.498 13.909 ( 0.000 1.548 -0.016) 1.548 15.347 ( 0.000 33.100 -7.338) 33.904 20.846 ( -0.000 -6.526 1.808) 6.772 26.104 ( 0.000 36.981 -8.092) 37.856 28.588 ( -0.000 -21.075 7.945) 22.523 41.008 ( -0.000 -0.956 0.098) 0.962 ======================= Grid point 531 (250/266) ======================= q-point: (-0.34 -0.41 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -12.925 -0.000 -23.464) 26.788 2.051 ( -4.564 -0.000 -24.300) 24.725 2.689 ( -9.553 0.000 12.986) 16.122 2.749 ( -0.098 0.000 11.546) 11.547 3.626 ( -8.107 -0.000 -48.129) 48.807 4.819 ( 9.566 0.000 3.663) 10.243 5.612 ( -7.627 0.000 31.105) 32.026 6.147 ( -8.701 -0.000 -13.150) 15.768 6.404 ( -16.258 0.000 3.520) 16.635 7.090 ( -4.588 0.000 20.024) 20.543 7.114 ( -14.711 0.000 8.987) 17.239 9.195 ( 0.556 -0.000 -5.874) 5.900 10.322 ( -6.059 -0.000 -3.636) 7.066 11.507 ( 1.850 0.000 3.648) 4.091 12.008 ( -0.127 -0.000 -2.372) 2.376 13.848 ( 6.542 -0.000 -2.853) 7.137 15.845 ( -9.962 -0.000 1.750) 10.115 20.755 ( -0.414 -0.000 0.050) 0.416 26.226 ( 27.486 0.000 -4.974) 27.932 28.344 ( -1.073 -0.000 -0.039) 1.074 41.048 ( -4.429 0.000 1.086) 4.560 ======================= Grid point 542 (251/266) ======================= q-point: (-0.65 -0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -0.000 -11.086 -0.000) 11.086 2.427 ( -0.000 -2.436 -0.000) 2.436 2.536 ( -0.000 -1.832 -0.000) 1.832 4.032 ( -0.000 -15.350 -0.000) 15.350 4.757 ( 0.000 6.565 0.000) 6.565 5.113 ( -0.000 -20.339 -0.000) 20.339 5.369 ( -0.000 -3.596 -0.000) 3.596 6.427 ( -0.000 -22.245 -0.000) 22.245 6.808 ( -0.000 -9.572 -0.000) 9.572 7.683 ( -0.000 -10.803 -0.000) 10.803 8.255 ( -0.000 -17.734 -0.000) 17.734 9.907 ( -0.000 -11.155 -0.000) 11.155 11.190 ( 0.000 12.829 0.000) 12.829 12.436 ( -0.000 -11.943 -0.000) 11.943 13.710 ( 0.000 4.060 0.000) 4.060 13.914 ( -0.000 -24.262 -0.000) 24.262 14.305 ( -0.000 -23.969 -0.000) 23.969 20.255 ( 0.000 25.825 0.000) 25.825 23.122 ( 0.000 47.051 0.000) 47.051 29.794 ( -0.000 -15.804 -0.000) 15.804 41.119 ( -0.000 -2.043 -0.000) 2.043 ======================= Grid point 549 (252/266) ======================= q-point: (-0.58 -0.42 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 7.116 -4.167 0.000) 8.246 2.567 ( -19.561 -3.761 -0.000) 19.919 2.738 ( -18.213 -2.173 -0.000) 18.342 3.653 ( 1.864 -19.761 -0.000) 19.849 4.715 ( -0.289 -15.977 -0.000) 15.980 4.943 ( -2.056 12.803 0.000) 12.967 5.177 ( 11.648 -4.849 0.000) 12.617 5.965 ( -2.341 -20.335 -0.000) 20.469 6.737 ( -14.491 -9.571 -0.000) 17.367 7.509 ( -7.236 -12.406 -0.000) 14.362 7.847 ( 0.796 -20.671 -0.000) 20.686 9.610 ( 5.496 -9.911 -0.000) 11.333 11.499 ( -5.075 11.637 0.000) 12.696 11.904 ( -0.105 -34.409 -0.000) 34.409 13.227 ( 10.566 -30.632 -0.000) 32.403 13.685 ( 7.016 0.705 0.000) 7.052 14.440 ( -17.998 15.826 0.000) 23.967 20.658 ( 2.821 15.562 0.000) 15.816 24.079 ( 10.105 51.942 0.000) 52.916 29.378 ( 3.138 -20.633 -0.000) 20.870 41.094 ( -1.699 -1.546 -0.000) 2.298 ======================= Grid point 553 (253/266) ======================= q-point: (-0.51 -0.49 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -0.154 4.643 0.000) 4.645 2.958 ( -20.320 -7.781 -0.000) 21.759 2.962 ( -12.027 -9.602 -0.000) 15.390 3.238 ( -7.659 -15.739 -0.000) 17.504 4.531 ( -5.743 -7.135 -0.000) 9.159 4.759 ( 9.021 -8.297 -0.000) 12.257 5.438 ( -6.501 17.781 0.000) 18.932 5.869 ( -14.337 2.058 -0.000) 14.484 7.033 ( -27.929 -4.478 -0.000) 28.285 7.432 ( -1.775 -18.092 -0.000) 18.178 7.488 ( -12.093 -8.475 -0.000) 14.767 9.362 ( 3.591 -4.006 -0.000) 5.380 11.256 ( -6.206 -31.203 -0.000) 31.814 11.829 ( -7.187 5.608 0.000) 9.116 12.299 ( 16.729 -29.301 -0.000) 33.741 13.615 ( 6.772 5.877 0.000) 8.966 15.307 ( -21.692 24.564 0.000) 32.771 20.793 ( 3.444 4.825 0.000) 5.928 24.702 ( 24.795 40.449 0.000) 47.444 28.885 ( 2.210 -19.941 -0.000) 20.063 41.132 ( -3.532 -0.075 -0.000) 3.532 ======================= Grid point 559 (254/266) ======================= q-point: (-0.43 -0.57 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -7.960 11.505 0.000) 13.991 2.784 ( -2.178 -18.645 -0.000) 18.772 2.788 ( -3.245 -12.731 -0.000) 13.138 3.561 ( -19.366 -0.376 -0.000) 19.369 4.645 ( -5.460 -0.825 -0.000) 5.522 4.692 ( -19.322 -1.214 -0.000) 19.360 5.690 ( -11.247 -1.490 -0.000) 11.345 6.690 ( -20.944 27.556 0.000) 34.612 7.180 ( -6.058 -9.572 -0.000) 11.328 7.642 ( -14.671 -3.412 -0.000) 15.063 7.660 ( -31.812 0.200 -0.000) 31.813 9.297 ( 0.567 0.606 0.000) 0.830 10.940 ( -11.308 -16.317 -0.000) 19.852 11.268 ( 19.514 -24.860 -0.000) 31.604 12.150 ( -5.985 4.462 0.000) 7.465 13.620 ( 4.776 5.148 0.000) 7.023 16.177 ( -19.797 16.448 0.000) 25.738 20.788 ( 0.716 0.427 0.000) 0.833 24.720 ( 32.559 19.046 0.000) 37.721 28.544 ( -1.240 -11.162 -0.000) 11.231 41.215 ( -3.540 0.705 -0.000) 3.609 ======================= Grid point 563 (255/266) ======================= q-point: (-0.36 -0.64 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( -14.136 -0.000 -0.000) 14.136 2.486 ( -0.664 -0.000 -0.000) 0.664 2.721 ( -2.656 -0.000 -0.000) 2.656 3.844 ( -10.608 -0.000 -0.000) 10.608 4.752 ( -2.347 -0.000 -0.000) 2.347 5.184 ( -26.648 -0.000 -0.000) 26.648 5.960 ( -16.466 -0.000 -0.000) 16.466 7.223 ( -6.720 -0.000 -0.000) 6.720 7.458 ( -21.298 -0.000 -0.000) 21.298 7.902 ( -13.319 -0.000 -0.000) 13.319 8.275 ( -26.832 -0.000 -0.000) 26.832 9.313 ( -0.806 -0.000 -0.000) 0.806 10.555 ( 22.508 0.000 0.000) 22.508 11.022 ( -12.033 -0.000 -0.000) 12.033 12.314 ( -5.576 -0.000 -0.000) 5.576 13.600 ( 3.480 0.000 0.000) 3.480 16.734 ( -18.952 -0.000 -0.000) 18.952 20.803 ( -0.931 -0.000 -0.000) 0.931 24.267 ( 28.961 0.000 0.000) 28.961 28.478 ( -2.720 -0.000 -0.000) 2.720 41.284 ( -2.144 -0.000 -0.000) 2.144 ======================= Grid point 593 (256/266) ======================= q-point: (-0.37 -0.37 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 0.000 -0.000 -24.703) 24.703 2.002 ( 0.000 -0.000 -26.249) 26.249 2.617 ( -0.000 0.000 12.775) 12.775 2.748 ( -0.000 0.000 12.231) 12.231 3.540 ( 0.000 -0.000 -54.422) 54.422 4.985 ( 0.000 -0.000 -3.834) 3.834 5.493 ( -0.000 0.000 39.388) 39.388 6.057 ( 0.000 -0.000 -12.580) 12.580 6.218 ( -0.000 0.000 9.945) 9.945 6.961 ( -0.000 0.000 5.416) 5.416 7.044 ( -0.000 0.000 19.765) 19.765 9.200 ( 0.000 -0.000 -3.619) 3.619 10.260 ( 0.000 -0.000 -3.739) 3.739 11.519 ( -0.000 0.000 1.312) 1.312 12.012 ( 0.000 -0.000 -1.450) 1.450 13.925 ( 0.000 -0.000 -0.013) 0.013 15.735 ( 0.000 -0.000 -1.183) 1.183 20.750 ( -0.000 0.000 0.054) 0.054 26.527 ( -0.000 0.000 0.350) 0.350 28.333 ( 0.000 -0.000 -0.045) 0.045 40.998 ( -0.000 0.000 0.093) 0.093 ======================= Grid point 608 (257/266) ======================= q-point: (-0.62 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -0.000 -1.125 -0.000) 1.125 2.354 ( -0.000 -4.548 -0.000) 4.548 2.498 ( -0.000 -1.875 -0.000) 1.875 3.673 ( -0.000 -20.373 -0.000) 20.373 4.714 ( -0.000 -16.825 -0.000) 16.825 4.922 ( 0.000 10.530 0.000) 10.530 5.302 ( -0.000 -3.111 -0.000) 3.111 5.949 ( -0.000 -23.617 -0.000) 23.617 6.584 ( -0.000 -11.654 -0.000) 11.654 7.429 ( -0.000 -12.988 -0.000) 12.988 7.854 ( -0.000 -21.298 -0.000) 21.298 9.668 ( -0.000 -11.651 -0.000) 11.651 11.445 ( 0.000 11.591 0.000) 11.591 11.903 ( -0.000 -36.809 -0.000) 36.809 13.334 ( -0.000 -31.535 -0.000) 31.535 13.793 ( 0.000 3.854 0.000) 3.854 14.219 ( 0.000 14.262 0.000) 14.262 20.688 ( 0.000 15.511 0.000) 15.511 24.185 ( 0.000 54.723 0.000) 54.723 29.411 ( -0.000 -21.259 -0.000) 21.259 41.075 ( -0.000 -2.108 -0.000) 2.108 ======================= Grid point 615 (258/266) ======================= q-point: (-0.54 -0.46 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 11.196 8.557 0.000) 14.092 2.481 ( -20.965 -4.304 -0.000) 21.402 2.677 ( -15.146 -3.780 -0.000) 15.611 3.186 ( -0.576 -24.742 -0.000) 24.749 4.472 ( -0.964 -7.478 -0.000) 7.540 4.977 ( 10.013 -11.131 -0.000) 14.971 5.340 ( -1.757 17.153 0.000) 17.243 5.629 ( -9.654 -6.771 -0.000) 11.792 6.547 ( -18.371 -8.323 -0.000) 20.168 7.274 ( -8.404 -9.983 -0.000) 13.050 7.404 ( -1.035 -21.641 -0.000) 21.666 9.423 ( 2.218 -7.900 -0.000) 8.205 11.154 ( -3.681 -34.754 -0.000) 34.948 11.700 ( -4.952 7.036 0.000) 8.604 12.562 ( 8.955 -32.295 -0.000) 33.513 13.766 ( 7.616 4.906 0.000) 9.059 14.919 ( -15.795 29.137 0.000) 33.143 20.852 ( 2.241 3.310 0.000) 3.997 25.128 ( 15.893 47.880 0.000) 50.449 28.925 ( 1.581 -22.387 -0.000) 22.443 41.065 ( -2.723 -1.223 -0.000) 2.985 ======================= Grid point 619 (259/266) ======================= q-point: (-0.47 -0.53 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 3.662 15.082 0.000) 15.520 2.706 ( -5.353 -13.233 -0.000) 14.275 2.717 ( -4.893 -14.040 -0.000) 14.869 3.054 ( -28.320 -3.721 -0.000) 28.563 4.440 ( -6.228 -2.190 -0.000) 6.602 4.587 ( 1.442 -7.165 -0.000) 7.308 5.491 ( -9.009 -3.736 -0.000) 9.753 6.294 ( -17.565 26.747 0.000) 31.999 6.958 ( -26.722 -2.564 -0.000) 26.845 7.109 ( -10.364 -12.202 -0.000) 16.010 7.348 ( -13.886 -5.080 -0.000) 14.786 9.303 ( -0.071 -1.753 -0.000) 1.754 10.727 ( -9.452 -18.705 -0.000) 20.957 11.585 ( 10.703 -23.553 -0.000) 25.870 12.053 ( -2.536 2.289 0.000) 3.416 13.726 ( 5.784 4.076 0.000) 7.076 15.808 ( -16.415 21.193 0.000) 26.806 20.805 ( 0.925 -2.352 -0.000) 2.527 25.389 ( 32.269 24.512 0.000) 40.523 28.524 ( -0.676 -13.638 -0.000) 13.654 41.131 ( -4.575 -0.008 -0.000) 4.575 ======================= Grid point 625 (260/266) ======================= q-point: (-0.39 -0.61 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -6.139 -0.000 -0.000) 6.139 2.475 ( -0.444 -0.000 -0.000) 0.444 2.649 ( -4.364 -0.000 -0.000) 4.364 3.558 ( -19.693 -0.000 -0.000) 19.693 4.635 ( -8.090 -0.000 -0.000) 8.090 4.682 ( -20.351 -0.000 -0.000) 20.351 5.666 ( -12.254 -0.000 -0.000) 12.254 7.020 ( -21.390 -0.000 -0.000) 21.390 7.077 ( -7.443 -0.000 -0.000) 7.443 7.605 ( -15.630 -0.000 -0.000) 15.630 7.662 ( -33.101 -0.000 -0.000) 33.101 9.305 ( -0.439 -0.000 -0.000) 0.439 10.767 ( -12.642 -0.000 -0.000) 12.642 10.980 ( 19.025 0.000 0.000) 19.025 12.196 ( -5.890 -0.000 -0.000) 5.890 13.675 ( 4.105 0.000 0.000) 4.105 16.362 ( -17.314 -0.000 -0.000) 17.314 20.783 ( -0.935 -0.000 -0.000) 0.935 24.921 ( 35.205 0.000 0.000) 35.205 28.423 ( -2.590 -0.000 -0.000) 2.590 41.223 ( -3.892 -0.000 -0.000) 3.892 ======================= Grid point 675 (261/266) ======================= q-point: (-0.58 -0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 0.000 10.388 0.000) 10.388 2.249 ( -0.000 -5.362 -0.000) 5.362 2.458 ( -0.000 -2.016 -0.000) 2.016 3.182 ( -0.000 -26.422 -0.000) 26.422 4.466 ( -0.000 -7.193 -0.000) 7.193 5.073 ( -0.000 -3.685 -0.000) 3.685 5.383 ( 0.000 18.787 0.000) 18.787 5.488 ( -0.000 -20.254 -0.000) 20.254 6.352 ( -0.000 -10.376 -0.000) 10.376 7.182 ( -0.000 -10.517 -0.000) 10.517 7.393 ( -0.000 -22.704 -0.000) 22.704 9.446 ( -0.000 -9.478 -0.000) 9.478 11.116 ( -0.000 -36.059 -0.000) 36.059 11.647 ( 0.000 7.276 0.000) 7.276 12.654 ( -0.000 -33.068 -0.000) 33.068 13.863 ( 0.000 2.909 0.000) 2.909 14.738 ( 0.000 32.620 0.000) 32.620 20.876 ( 0.000 2.764 0.000) 2.764 25.296 ( 0.000 51.004 0.000) 51.004 28.942 ( -0.000 -23.300 -0.000) 23.300 41.035 ( -0.000 -1.710 -0.000) 1.710 ======================= Grid point 682 (262/266) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 455 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 10.651 13.929 0.000) 17.534 2.407 ( -22.152 -2.376 -0.000) 22.279 2.580 ( -8.513 -5.868 -0.000) 10.339 2.707 ( -4.530 -19.658 -0.000) 20.173 4.387 ( -0.252 -1.613 -0.000) 1.632 4.722 ( 10.908 -11.306 -0.000) 15.710 5.305 ( -9.687 -7.122 -0.000) 12.023 6.008 ( -10.123 26.274 0.000) 28.157 6.413 ( -21.778 -4.387 -0.000) 22.215 7.006 ( -3.010 -15.501 -0.000) 15.791 7.104 ( -9.503 -6.642 -0.000) 11.594 9.297 ( -0.414 -4.199 -0.000) 4.219 10.573 ( -5.476 -20.282 -0.000) 21.008 11.679 ( 0.066 -12.711 -0.000) 12.711 12.072 ( 3.272 -9.002 -0.000) 9.578 13.846 ( 5.444 2.661 0.000) 6.059 15.529 ( -10.552 26.288 0.000) 28.327 20.822 ( 0.704 -4.649 -0.000) 4.702 25.952 ( 21.314 29.787 0.000) 36.627 28.516 ( -0.209 -15.655 -0.000) 15.656 41.045 ( -3.475 -0.665 -0.000) 3.538 ======================= Grid point 686 (263/266) ======================= q-point: (-0.43 -0.57 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 4.018 0.000 0.000) 4.018 2.467 ( -0.451 -0.000 -0.000) 0.451 2.553 ( -4.758 -0.000 -0.000) 4.758 3.020 ( -31.734 -0.000 -0.000) 31.734 4.421 ( -6.105 -0.000 -0.000) 6.105 4.507 ( -2.305 -0.000 -0.000) 2.305 5.447 ( -10.225 -0.000 -0.000) 10.225 6.619 ( -17.620 -0.000 -0.000) 17.620 6.935 ( -6.272 -0.000 -0.000) 6.272 6.973 ( -33.769 -0.000 -0.000) 33.769 7.288 ( -15.186 -0.000 -0.000) 15.186 9.286 ( -1.438 -0.000 -0.000) 1.438 10.529 ( -10.506 -0.000 -0.000) 10.506 11.303 ( 12.409 0.000 0.000) 12.409 12.087 ( -4.453 -0.000 -0.000) 4.453 13.769 ( 5.158 0.000 0.000) 5.158 16.049 ( -13.371 -0.000 -0.000) 13.371 20.766 ( -0.752 -0.000 -0.000) 0.752 25.650 ( 35.369 0.000 0.000) 35.369 28.376 ( -1.985 -0.000 -0.000) 1.985 41.131 ( -4.950 -0.000 -0.000) 4.950 ======================= Grid point 743 (264/266) ======================= q-point: (-0.54 -0.46 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( -0.000 -3.805 -0.000) 3.805 2.317 ( 0.000 11.722 0.000) 11.722 2.419 ( -0.000 -1.546 -0.000) 1.546 2.669 ( -0.000 -20.798 -0.000) 20.798 4.391 ( -0.000 -1.114 -0.000) 1.114 4.904 ( -0.000 -9.036 -0.000) 9.036 5.151 ( -0.000 -11.799 -0.000) 11.799 5.903 ( 0.000 26.102 0.000) 26.102 6.178 ( -0.000 -6.076 -0.000) 6.076 6.975 ( -0.000 -16.187 -0.000) 16.187 7.001 ( -0.000 -7.288 -0.000) 7.288 9.291 ( -0.000 -5.281 -0.000) 5.281 10.516 ( -0.000 -20.790 -0.000) 20.790 11.669 ( -0.000 -7.995 -0.000) 7.995 12.115 ( -0.000 -13.848 -0.000) 13.848 13.909 ( 0.000 1.545 0.000) 1.545 15.415 ( 0.000 28.961 0.000) 28.961 20.830 ( -0.000 -5.561 -0.000) 5.561 26.179 ( 0.000 32.105 0.000) 32.105 28.514 ( -0.000 -16.457 -0.000) 16.457 41.007 ( -0.000 -0.952 -0.000) 0.952 ======================= Grid point 750 (265/266) ======================= q-point: (-0.46 -0.54 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 4.978 0.000 0.000) 4.978 2.399 ( -26.083 -0.000 -0.000) 26.083 2.458 ( -0.358 -0.000 -0.000) 0.358 2.470 ( -3.195 -0.000 -0.000) 3.195 4.375 ( 0.210 0.000 0.000) 0.210 4.593 ( 10.385 0.000 0.000) 10.385 5.227 ( -11.868 -0.000 -0.000) 11.868 6.334 ( -10.032 -0.000 -0.000) 10.032 6.370 ( -23.582 -0.000 -0.000) 23.582 6.833 ( -3.562 -0.000 -0.000) 3.562 7.019 ( -10.535 -0.000 -0.000) 10.535 9.253 ( -1.509 -0.000 -0.000) 1.509 10.359 ( -5.960 -0.000 -0.000) 5.960 11.470 ( 4.299 0.000 0.000) 4.299 12.031 ( -1.036 -0.000 -0.000) 1.036 13.873 ( 4.580 0.000 0.000) 4.580 15.831 ( -7.915 -0.000 -0.000) 7.915 20.754 ( -0.417 -0.000 -0.000) 0.417 26.271 ( 23.663 0.000 0.000) 23.663 28.345 ( -1.067 -0.000 -0.000) 1.067 41.038 ( -3.753 -0.000 -0.000) 3.753 ======================= Grid point 812 (266/266) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.46e-03 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -0.000 0.000 0.000) 0.000 2.402 ( 0.000 -0.000 -0.000) 0.000 2.436 ( -0.000 0.000 0.000) 0.000 2.454 ( 0.000 -0.000 -0.000) 0.000 4.385 ( 0.000 -0.000 -0.000) 0.000 4.796 ( 0.000 -0.000 -0.000) 0.000 5.026 ( 0.000 -0.000 -0.000) 0.000 6.114 ( 0.000 -0.000 -0.000) 0.000 6.230 ( 0.000 -0.000 -0.000) 0.000 6.797 ( 0.000 -0.000 -0.000) 0.000 6.904 ( 0.000 -0.000 -0.000) 0.000 9.236 ( 0.000 -0.000 -0.000) 0.000 10.297 ( 0.000 -0.000 -0.000) 0.000 11.506 ( 0.000 -0.000 -0.000) 0.000 12.027 ( 0.000 -0.000 -0.000) 0.000 13.925 ( 0.000 -0.000 -0.000) 0.000 15.747 ( 0.000 -0.000 -0.000) 0.000 20.750 ( 0.000 -0.000 -0.000) 0.000 26.523 ( 0.000 -0.000 -0.000) 0.000 28.334 ( 0.000 -0.000 -0.000) 0.000 40.997 ( 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 3/30576 10.0 12137.073 11653.617 15382.786 0.000 -0.000 0.000 3/30576 20.0 969.137 998.215 990.811 0.000 -0.000 0.000 3/30576 30.0 279.977 270.915 254.372 0.000 -0.000 0.000 3/30576 40.0 128.582 121.207 111.809 0.000 -0.000 0.000 3/30576 50.0 75.528 70.282 64.334 0.000 -0.000 0.000 3/30576 60.0 51.148 47.264 43.089 0.000 -0.000 0.000 3/30576 70.0 37.886 34.880 31.707 0.000 -0.000 0.000 3/30576 80.0 29.810 27.404 24.839 0.000 -0.000 0.000 3/30576 90.0 24.481 22.510 20.333 0.000 -0.000 0.000 3/30576 100.0 20.750 19.107 17.189 0.000 -0.000 0.000 3/30576 110.0 18.015 16.631 14.889 0.000 -0.000 0.000 3/30576 120.0 15.936 14.763 13.142 0.000 -0.000 0.000 3/30576 130.0 14.309 13.310 11.774 0.000 -0.000 0.000 3/30576 140.0 13.003 12.152 10.675 0.000 -0.000 0.000 3/30576 150.0 11.934 11.208 9.774 0.000 -0.000 0.000 3/30576 160.0 11.044 10.425 9.021 0.000 -0.000 0.000 3/30576 170.0 10.290 9.765 8.383 0.000 -0.000 0.000 3/30576 180.0 9.643 9.200 7.834 0.000 -0.000 0.000 3/30576 190.0 9.082 8.711 7.357 0.000 -0.000 0.000 3/30576 200.0 8.591 8.282 6.939 0.000 -0.000 0.000 3/30576 210.0 8.156 7.903 6.569 0.000 -0.000 0.000 3/30576 220.0 7.768 7.564 6.238 0.000 -0.000 0.000 3/30576 230.0 7.420 7.260 5.942 0.000 -0.000 0.000 3/30576 240.0 7.105 6.984 5.673 0.000 -0.000 0.000 3/30576 250.0 6.818 6.732 5.430 0.000 -0.000 0.000 3/30576 260.0 6.557 6.502 5.207 0.000 -0.000 0.000 3/30576 270.0 6.316 6.289 5.003 0.000 -0.000 0.000 3/30576 280.0 6.095 6.092 4.816 0.000 -0.000 0.000 3/30576 290.0 5.890 5.909 4.642 0.000 -0.000 0.000 3/30576 300.0 5.699 5.738 4.481 0.000 -0.000 0.000 3/30576 310.0 5.521 5.578 4.331 0.000 -0.000 0.000 3/30576 320.0 5.355 5.428 4.192 0.000 -0.000 0.000 3/30576 330.0 5.199 5.286 4.061 0.000 -0.000 0.000 3/30576 340.0 5.053 5.153 3.939 0.000 -0.000 0.000 3/30576 350.0 4.915 5.026 3.824 0.000 -0.000 0.000 3/30576 360.0 4.785 4.906 3.716 0.000 -0.000 0.000 3/30576 370.0 4.662 4.792 3.614 0.000 -0.000 0.000 3/30576 380.0 4.546 4.684 3.517 0.000 -0.000 0.000 3/30576 390.0 4.436 4.581 3.426 0.000 -0.000 0.000 3/30576 400.0 4.331 4.482 3.340 0.000 -0.000 0.000 3/30576 410.0 4.231 4.388 3.257 0.000 -0.000 0.000 3/30576 420.0 4.135 4.298 3.179 0.000 -0.000 0.000 3/30576 430.0 4.044 4.211 3.105 0.000 -0.000 0.000 3/30576 440.0 3.958 4.128 3.034 0.000 -0.000 0.000 3/30576 450.0 3.875 4.049 2.966 0.000 -0.000 0.000 3/30576 460.0 3.795 3.972 2.902 0.000 -0.000 0.000 3/30576 470.0 3.719 3.899 2.840 0.000 -0.000 0.000 3/30576 480.0 3.646 3.828 2.781 0.000 -0.000 0.000 3/30576 490.0 3.575 3.759 2.724 0.000 -0.000 0.000 3/30576 500.0 3.508 3.693 2.669 0.000 -0.000 0.000 3/30576 510.0 3.443 3.630 2.617 0.000 -0.000 0.000 3/30576 520.0 3.380 3.568 2.567 0.000 -0.000 0.000 3/30576 530.0 3.320 3.509 2.518 0.000 -0.000 0.000 3/30576 540.0 3.262 3.451 2.472 0.000 -0.000 0.000 3/30576 550.0 3.206 3.396 2.427 0.000 -0.000 0.000 3/30576 560.0 3.151 3.342 2.384 0.000 -0.000 0.000 3/30576 570.0 3.099 3.290 2.342 0.000 -0.000 0.000 3/30576 580.0 3.048 3.239 2.302 0.000 -0.000 0.000 3/30576 590.0 2.999 3.190 2.263 0.000 -0.000 0.000 3/30576 600.0 2.952 3.143 2.225 0.000 -0.000 0.000 3/30576 610.0 2.906 3.097 2.189 0.000 -0.000 0.000 3/30576 620.0 2.862 3.052 2.154 0.000 -0.000 0.000 3/30576 630.0 2.818 3.008 2.120 0.000 -0.000 0.000 3/30576 640.0 2.777 2.966 2.087 0.000 -0.000 0.000 3/30576 650.0 2.736 2.925 2.055 0.000 -0.000 0.000 3/30576 660.0 2.697 2.885 2.024 0.000 -0.000 0.000 3/30576 670.0 2.658 2.846 1.994 0.000 -0.000 0.000 3/30576 680.0 2.621 2.808 1.965 0.000 -0.000 0.000 3/30576 690.0 2.585 2.771 1.936 0.000 -0.000 0.000 3/30576 700.0 2.550 2.735 1.909 0.000 -0.000 0.000 3/30576 710.0 2.515 2.700 1.882 0.000 -0.000 0.000 3/30576 720.0 2.482 2.666 1.856 0.000 -0.000 0.000 3/30576 730.0 2.450 2.633 1.831 0.000 -0.000 0.000 3/30576 740.0 2.418 2.600 1.806 0.000 -0.000 0.000 3/30576 750.0 2.387 2.568 1.782 0.000 -0.000 0.000 3/30576 760.0 2.357 2.537 1.759 0.000 -0.000 0.000 3/30576 770.0 2.328 2.507 1.736 0.000 -0.000 0.000 3/30576 780.0 2.299 2.478 1.714 0.000 -0.000 0.000 3/30576 790.0 2.271 2.449 1.693 0.000 -0.000 0.000 3/30576 800.0 2.244 2.421 1.671 0.000 -0.000 0.000 3/30576 810.0 2.218 2.393 1.651 0.000 -0.000 0.000 3/30576 820.0 2.192 2.366 1.631 0.000 -0.000 0.000 3/30576 830.0 2.166 2.340 1.611 0.000 -0.000 0.000 3/30576 840.0 2.142 2.314 1.592 0.000 -0.000 0.000 3/30576 850.0 2.118 2.289 1.574 0.000 -0.000 0.000 3/30576 860.0 2.094 2.264 1.555 0.000 -0.000 0.000 3/30576 870.0 2.071 2.240 1.538 0.000 -0.000 0.000 3/30576 880.0 2.048 2.217 1.520 0.000 -0.000 0.000 3/30576 890.0 2.026 2.193 1.503 0.000 -0.000 0.000 3/30576 900.0 2.004 2.171 1.487 0.000 -0.000 0.000 3/30576 910.0 1.983 2.149 1.470 0.000 -0.000 0.000 3/30576 920.0 1.962 2.127 1.455 0.000 -0.000 0.000 3/30576 930.0 1.942 2.105 1.439 0.000 -0.000 0.000 3/30576 940.0 1.922 2.085 1.424 0.000 -0.000 0.000 3/30576 950.0 1.903 2.064 1.409 0.000 -0.000 0.000 3/30576 960.0 1.884 2.044 1.394 0.000 -0.000 0.000 3/30576 970.0 1.865 2.024 1.380 0.000 -0.000 0.000 3/30576 980.0 1.847 2.005 1.366 0.000 -0.000 0.000 3/30576 990.0 1.829 1.986 1.352 0.000 -0.000 0.000 3/30576 1000.0 1.811 1.967 1.339 0.000 -0.000 0.000 3/30576 Thermal conductivity related properties were written into "kappa-m12728.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:49:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|