----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:08:03]------------------------- 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: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.480162971062848 1.431922758977275 5.391389053333326 b -2.480162971062843 1.431922758977275 5.391389053333326 c 0.000000000000003 -2.863845517954553 5.391389053333326 Atomic positions (fractional): *1 C 0.75000000000000 0.75000000000000 0.75000000000000 12.011 2 C 0.25000000000000 0.25000000000000 0.25000000000000 12.011 *3 O 0.48908009628266 0.01091990371734 0.75000000000000 15.999 4 O 0.75000000000000 0.48908009628266 0.01091990371734 15.999 5 O 0.98908009628266 0.25000000000000 0.51091990371734 15.999 6 O 0.51091990371734 0.98908009628266 0.25000000000000 15.999 7 O 0.25000000000000 0.51091990371734 0.98908009628266 15.999 8 O 0.01091990371734 0.75000000000000 0.48908009628266 15.999 *9 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 10 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.960325942125691 0.000000000000000 0.000000000000000 b -2.480162971062846 4.295768276931828 0.000000000000000 c 0.000000000000000 0.000000000000000 16.174167159999996 Atomic positions (fractional): *1 C 0.66666666666667 0.33333333333333 0.08333333333333 12.011 > 1 2 C 0.00000000000000 0.00000000000000 0.25000000000000 12.011 > 2 3 C 0.33333333333333 0.66666666666667 0.41666666666667 12.011 > 1 4 C 0.66666666666667 0.33333333333333 0.58333333333333 12.011 > 2 5 C 0.00000000000000 0.00000000000000 0.75000000000000 12.011 > 1 6 C 0.33333333333333 0.66666666666667 0.91666666666667 12.011 > 2 *7 O 0.40574676294933 0.33333333333333 0.08333333333333 15.999 > 3 8 O 0.66666666666667 0.07241342961600 0.08333333333333 15.999 > 4 9 O 0.73908009628266 0.73908009628266 0.25000000000000 15.999 > 5 10 O 0.26091990371734 0.00000000000000 0.25000000000000 15.999 > 6 11 O 0.00000000000000 0.26091990371734 0.25000000000000 15.999 > 7 12 O 0.92758657038400 0.59425323705067 0.08333333333333 15.999 > 8 13 O 0.07241342961600 0.66666666666667 0.41666666666667 15.999 > 3 14 O 0.33333333333333 0.40574676294933 0.41666666666667 15.999 > 4 15 O 0.40574676294933 0.07241342961600 0.58333333333333 15.999 > 5 16 O 0.92758657038400 0.33333333333333 0.58333333333333 15.999 > 6 17 O 0.66666666666667 0.59425323705067 0.58333333333333 15.999 > 7 18 O 0.59425323705067 0.92758657038400 0.41666666666667 15.999 > 8 19 O 0.73908009628266 0.00000000000000 0.75000000000000 15.999 > 3 20 O 0.00000000000000 0.73908009628266 0.75000000000000 15.999 > 4 21 O 0.07241342961600 0.40574676294933 0.91666666666667 15.999 > 5 22 O 0.59425323705067 0.66666666666667 0.91666666666667 15.999 > 6 23 O 0.33333333333333 0.92758657038400 0.91666666666667 15.999 > 7 24 O 0.26091990371734 0.26091990371734 0.75000000000000 15.999 > 8 *25 Cd 0.33333333333333 0.66666666666667 0.16666666666667 112.411 > 9 26 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 10 27 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 9 28 Cd 0.66666666666667 0.33333333333333 0.33333333333333 112.411 > 10 29 Cd 0.66666666666667 0.33333333333333 0.83333333333333 112.411 > 9 30 Cd 0.33333333333333 0.66666666666667 0.66666666666667 112.411 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.920651884251383 0.000000000000000 0.000000000000000 b -4.960325942125692 8.591536553863657 0.000000000000000 c 0.000000000000000 0.000000000000000 16.174167159999996 Atomic positions (fractional): *1 C 0.33333333333333 0.16666666666667 0.08333333333333 12.011 > 1 2 C 0.83333333333333 0.16666666666667 0.08333333333333 12.011 > 1 3 C 0.33333333333333 0.66666666666667 0.08333333333333 12.011 > 1 4 C 0.83333333333333 0.66666666666667 0.08333333333333 12.011 > 1 5 C 0.00000000000000 0.00000000000000 0.25000000000000 12.011 > 2 6 C 0.50000000000000 0.00000000000000 0.25000000000000 12.011 > 2 7 C 0.00000000000000 0.50000000000000 0.25000000000000 12.011 > 2 8 C 0.50000000000000 0.50000000000000 0.25000000000000 12.011 > 2 9 C 0.16666666666667 0.33333333333333 0.41666666666667 12.011 > 1 10 C 0.66666666666667 0.33333333333333 0.41666666666667 12.011 > 1 11 C 0.16666666666667 0.83333333333333 0.41666666666667 12.011 > 1 12 C 0.66666666666667 0.83333333333333 0.41666666666667 12.011 > 1 13 C 0.33333333333333 0.16666666666667 0.58333333333333 12.011 > 2 14 C 0.83333333333333 0.16666666666667 0.58333333333333 12.011 > 2 15 C 0.33333333333333 0.66666666666667 0.58333333333333 12.011 > 2 16 C 0.83333333333333 0.66666666666667 0.58333333333333 12.011 > 2 17 C 0.00000000000000 0.00000000000000 0.75000000000000 12.011 > 1 18 C 0.50000000000000 0.00000000000000 0.75000000000000 12.011 > 1 19 C 0.00000000000000 0.50000000000000 0.75000000000000 12.011 > 1 20 C 0.50000000000000 0.50000000000000 0.75000000000000 12.011 > 1 21 C 0.16666666666667 0.33333333333333 0.91666666666667 12.011 > 2 22 C 0.66666666666667 0.33333333333333 0.91666666666667 12.011 > 2 23 C 0.16666666666667 0.83333333333333 0.91666666666667 12.011 > 2 24 C 0.66666666666667 0.83333333333333 0.91666666666667 12.011 > 2 *25 O 0.20287338147466 0.16666666666667 0.08333333333333 15.999 > 3 26 O 0.70287338147466 0.16666666666667 0.08333333333333 15.999 > 3 27 O 0.20287338147466 0.66666666666667 0.08333333333333 15.999 > 3 28 O 0.70287338147466 0.66666666666667 0.08333333333333 15.999 > 3 29 O 0.33333333333333 0.03620671480800 0.08333333333333 15.999 > 4 30 O 0.83333333333333 0.03620671480800 0.08333333333333 15.999 > 4 31 O 0.33333333333333 0.53620671480800 0.08333333333333 15.999 > 4 32 O 0.83333333333333 0.53620671480800 0.08333333333333 15.999 > 4 33 O 0.36954004814133 0.36954004814133 0.25000000000000 15.999 > 5 34 O 0.86954004814133 0.36954004814133 0.25000000000000 15.999 > 5 35 O 0.36954004814133 0.86954004814133 0.25000000000000 15.999 > 5 36 O 0.86954004814133 0.86954004814133 0.25000000000000 15.999 > 5 37 O 0.13045995185867 0.00000000000000 0.25000000000000 15.999 > 6 38 O 0.63045995185867 0.00000000000000 0.25000000000000 15.999 > 6 39 O 0.13045995185867 0.50000000000000 0.25000000000000 15.999 > 6 40 O 0.63045995185867 0.50000000000000 0.25000000000000 15.999 > 6 41 O 0.00000000000000 0.13045995185867 0.25000000000000 15.999 > 7 42 O 0.50000000000000 0.13045995185867 0.25000000000000 15.999 > 7 43 O 0.00000000000000 0.63045995185867 0.25000000000000 15.999 > 7 44 O 0.50000000000000 0.63045995185867 0.25000000000000 15.999 > 7 45 O 0.46379328519200 0.29712661852534 0.08333333333333 15.999 > 8 46 O 0.96379328519200 0.29712661852534 0.08333333333333 15.999 > 8 47 O 0.46379328519200 0.79712661852534 0.08333333333333 15.999 > 8 48 O 0.96379328519200 0.79712661852534 0.08333333333333 15.999 > 8 49 O 0.03620671480800 0.33333333333333 0.41666666666667 15.999 > 3 50 O 0.53620671480800 0.33333333333333 0.41666666666667 15.999 > 3 51 O 0.03620671480800 0.83333333333333 0.41666666666667 15.999 > 3 52 O 0.53620671480800 0.83333333333333 0.41666666666667 15.999 > 3 53 O 0.16666666666667 0.20287338147466 0.41666666666667 15.999 > 4 54 O 0.66666666666667 0.20287338147466 0.41666666666667 15.999 > 4 55 O 0.16666666666667 0.70287338147466 0.41666666666667 15.999 > 4 56 O 0.66666666666667 0.70287338147466 0.41666666666667 15.999 > 4 57 O 0.20287338147466 0.03620671480800 0.58333333333333 15.999 > 5 58 O 0.70287338147466 0.03620671480800 0.58333333333333 15.999 > 5 59 O 0.20287338147466 0.53620671480800 0.58333333333333 15.999 > 5 60 O 0.70287338147466 0.53620671480800 0.58333333333333 15.999 > 5 61 O 0.46379328519200 0.16666666666667 0.58333333333333 15.999 > 6 62 O 0.96379328519200 0.16666666666667 0.58333333333333 15.999 > 6 63 O 0.46379328519200 0.66666666666667 0.58333333333333 15.999 > 6 64 O 0.96379328519200 0.66666666666667 0.58333333333333 15.999 > 6 65 O 0.33333333333333 0.29712661852534 0.58333333333333 15.999 > 7 66 O 0.83333333333333 0.29712661852534 0.58333333333333 15.999 > 7 67 O 0.33333333333333 0.79712661852534 0.58333333333333 15.999 > 7 68 O 0.83333333333333 0.79712661852534 0.58333333333333 15.999 > 7 69 O 0.29712661852534 0.46379328519200 0.41666666666667 15.999 > 8 70 O 0.79712661852534 0.46379328519200 0.41666666666667 15.999 > 8 71 O 0.29712661852534 0.96379328519200 0.41666666666667 15.999 > 8 72 O 0.79712661852534 0.96379328519200 0.41666666666667 15.999 > 8 73 O 0.36954004814133 0.00000000000000 0.75000000000000 15.999 > 3 74 O 0.86954004814133 0.00000000000000 0.75000000000000 15.999 > 3 75 O 0.36954004814133 0.50000000000000 0.75000000000000 15.999 > 3 76 O 0.86954004814133 0.50000000000000 0.75000000000000 15.999 > 3 77 O 0.00000000000000 0.36954004814133 0.75000000000000 15.999 > 4 78 O 0.50000000000000 0.36954004814133 0.75000000000000 15.999 > 4 79 O 0.00000000000000 0.86954004814133 0.75000000000000 15.999 > 4 80 O 0.50000000000000 0.86954004814133 0.75000000000000 15.999 > 4 81 O 0.03620671480800 0.20287338147466 0.91666666666667 15.999 > 5 82 O 0.53620671480800 0.20287338147466 0.91666666666667 15.999 > 5 83 O 0.03620671480800 0.70287338147466 0.91666666666667 15.999 > 5 84 O 0.53620671480800 0.70287338147466 0.91666666666667 15.999 > 5 85 O 0.29712661852534 0.33333333333333 0.91666666666667 15.999 > 6 86 O 0.79712661852534 0.33333333333333 0.91666666666667 15.999 > 6 87 O 0.29712661852534 0.83333333333333 0.91666666666667 15.999 > 6 88 O 0.79712661852534 0.83333333333333 0.91666666666667 15.999 > 6 89 O 0.16666666666667 0.46379328519200 0.91666666666667 15.999 > 7 90 O 0.66666666666667 0.46379328519200 0.91666666666667 15.999 > 7 91 O 0.16666666666667 0.96379328519200 0.91666666666667 15.999 > 7 92 O 0.66666666666667 0.96379328519200 0.91666666666667 15.999 > 7 93 O 0.13045995185867 0.13045995185867 0.75000000000000 15.999 > 8 94 O 0.63045995185867 0.13045995185867 0.75000000000000 15.999 > 8 95 O 0.13045995185867 0.63045995185867 0.75000000000000 15.999 > 8 96 O 0.63045995185867 0.63045995185867 0.75000000000000 15.999 > 8 *97 Cd 0.16666666666667 0.33333333333333 0.16666666666667 112.411 > 9 98 Cd 0.66666666666667 0.33333333333333 0.16666666666667 112.411 > 9 99 Cd 0.16666666666667 0.83333333333333 0.16666666666667 112.411 > 9 100 Cd 0.66666666666667 0.83333333333333 0.16666666666667 112.411 > 9 101 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 10 102 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 10 103 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 10 104 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 10 105 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 9 106 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 9 107 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 9 108 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 9 109 Cd 0.33333333333333 0.16666666666667 0.33333333333333 112.411 > 10 110 Cd 0.83333333333333 0.16666666666667 0.33333333333333 112.411 > 10 111 Cd 0.33333333333333 0.66666666666667 0.33333333333333 112.411 > 10 112 Cd 0.83333333333333 0.66666666666667 0.33333333333333 112.411 > 10 113 Cd 0.33333333333333 0.16666666666667 0.83333333333333 112.411 > 9 114 Cd 0.83333333333333 0.16666666666667 0.83333333333333 112.411 > 9 115 Cd 0.33333333333333 0.66666666666667 0.83333333333333 112.411 > 9 116 Cd 0.83333333333333 0.66666666666667 0.83333333333333 112.411 > 9 117 Cd 0.16666666666667 0.33333333333333 0.66666666666667 112.411 > 10 118 Cd 0.66666666666667 0.33333333333333 0.66666666666667 112.411 > 10 119 Cd 0.16666666666667 0.83333333333333 0.66666666666667 112.411 > 10 120 Cd 0.66666666666667 0.83333333333333 0.66666666666667 112.411 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6928497 0.0000000 0.0000000 0.0000000 3.6928497 0.0000000 0.0000000 0.0000000 2.7727576 -------------------------- Born effective charges -------------------------- 1 C 3.3917863 0.0000000 -0.0000000 -0.0000000 3.3917863 0.0000000 0.0000000 0.0000000 0.1293469 2 C 3.3917863 0.0000000 -0.0000000 -0.0000000 3.3917863 0.0000000 0.0000000 0.0000000 0.1293469 3 O -2.8182728 0.0000000 -0.0000000 -0.0000000 -1.1863773 -0.2717192 0.0000000 -0.2004159 -0.8465827 4 O -1.5943512 0.7066315 0.2353158 0.7066315 -2.4102989 0.1358596 0.1735653 0.1002080 -0.8465827 5 O -1.5943512 -0.7066315 -0.2353158 -0.7066315 -2.4102989 0.1358596 -0.1735653 0.1002080 -0.8465827 6 O -2.8182728 0.0000000 -0.0000000 -0.0000000 -1.1863773 -0.2717192 0.0000000 -0.2004159 -0.8465827 7 O -1.5943512 0.7066315 0.2353158 0.7066315 -2.4102989 0.1358596 0.1735653 0.1002080 -0.8465827 8 O -1.5943512 -0.7066315 -0.2353158 -0.7066315 -2.4102989 0.1358596 -0.1735653 0.1002080 -0.8465827 9 Cd 2.6151888 -0.1743687 -0.0000000 0.1743687 2.6151888 0.0000000 0.0000000 0.0000000 2.4104011 10 Cd 2.6151888 0.1743687 -0.0000000 -0.1743687 2.6151888 0.0000000 0.0000000 0.0000000 2.4104011 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 510 Number of blocks in projector: 304 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 239 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 77 Use standard eigh solver. Tree of FC basis block matrices: - (510, 500), data: False |-- (77, 74), data: True |-- (194, 192), data: True |-- (239, 234), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.012 Solver_block: 100 / 160 - Time: 0.434 Solver_block: 160 / 160 - Time: 0.302 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.753 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 510 Number of blocks in projector: 304 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 239 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 77 Use standard eigh solver. Tree of FC basis block matrices: - (510, 500), data: False |-- (77, 74), data: True |-- (194, 192), data: True |-- (239, 234), 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 2026-01-07 20:08:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:08:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.480162971062848 1.431922758977275 5.391389053333326 b -2.480162971062843 1.431922758977275 5.391389053333326 c 0.000000000000003 -2.863845517954553 5.391389053333326 Atomic positions (fractional): 1 C 0.75000000000000 0.75000000000000 0.75000000000000 12.011 2 C 0.25000000000000 0.25000000000000 0.25000000000000 12.011 3 O 0.48908009628266 0.01091990371734 0.75000000000000 15.999 4 O 0.75000000000000 0.48908009628266 0.01091990371734 15.999 5 O 0.98908009628266 0.25000000000000 0.51091990371734 15.999 6 O 0.51091990371734 0.98908009628266 0.25000000000000 15.999 7 O 0.25000000000000 0.51091990371734 0.98908009628266 15.999 8 O 0.01091990371734 0.75000000000000 0.48908009628266 15.999 9 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 10 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.920651884251383 0.000000000000000 0.000000000000000 b -4.960325942125692 8.591536553863657 0.000000000000000 c 0.000000000000000 0.000000000000000 16.174167159999996 Atomic positions (fractional): 1 C 0.33333333333333 0.16666666666667 0.08333333333333 12.011 > 1 2 C 0.83333333333333 0.16666666666667 0.08333333333333 12.011 > 1 3 C 0.33333333333333 0.66666666666667 0.08333333333333 12.011 > 1 4 C 0.83333333333333 0.66666666666667 0.08333333333333 12.011 > 1 5 C 0.00000000000000 0.00000000000000 0.25000000000000 12.011 > 5 6 C 0.50000000000000 0.00000000000000 0.25000000000000 12.011 > 5 7 C 0.00000000000000 0.50000000000000 0.25000000000000 12.011 > 5 8 C 0.50000000000000 0.50000000000000 0.25000000000000 12.011 > 5 9 C 0.16666666666667 0.33333333333333 0.41666666666667 12.011 > 1 10 C 0.66666666666667 0.33333333333333 0.41666666666667 12.011 > 1 11 C 0.16666666666667 0.83333333333333 0.41666666666667 12.011 > 1 12 C 0.66666666666667 0.83333333333333 0.41666666666667 12.011 > 1 13 C 0.33333333333333 0.16666666666667 0.58333333333333 12.011 > 5 14 C 0.83333333333333 0.16666666666667 0.58333333333333 12.011 > 5 15 C 0.33333333333333 0.66666666666667 0.58333333333333 12.011 > 5 16 C 0.83333333333333 0.66666666666667 0.58333333333333 12.011 > 5 17 C 0.00000000000000 0.00000000000000 0.75000000000000 12.011 > 1 18 C 0.50000000000000 0.00000000000000 0.75000000000000 12.011 > 1 19 C 0.00000000000000 0.50000000000000 0.75000000000000 12.011 > 1 20 C 0.50000000000000 0.50000000000000 0.75000000000000 12.011 > 1 21 C 0.16666666666667 0.33333333333333 0.91666666666667 12.011 > 5 22 C 0.66666666666667 0.33333333333333 0.91666666666667 12.011 > 5 23 C 0.16666666666667 0.83333333333333 0.91666666666667 12.011 > 5 24 C 0.66666666666667 0.83333333333333 0.91666666666667 12.011 > 5 25 O 0.20287338147466 0.16666666666667 0.08333333333333 15.999 > 25 26 O 0.70287338147466 0.16666666666667 0.08333333333333 15.999 > 25 27 O 0.20287338147466 0.66666666666667 0.08333333333333 15.999 > 25 28 O 0.70287338147466 0.66666666666667 0.08333333333333 15.999 > 25 29 O 0.33333333333333 0.03620671480800 0.08333333333333 15.999 > 29 30 O 0.83333333333333 0.03620671480800 0.08333333333333 15.999 > 29 31 O 0.33333333333333 0.53620671480800 0.08333333333333 15.999 > 29 32 O 0.83333333333333 0.53620671480800 0.08333333333333 15.999 > 29 33 O 0.36954004814133 0.36954004814133 0.25000000000000 15.999 > 33 34 O 0.86954004814133 0.36954004814133 0.25000000000000 15.999 > 33 35 O 0.36954004814133 0.86954004814133 0.25000000000000 15.999 > 33 36 O 0.86954004814133 0.86954004814133 0.25000000000000 15.999 > 33 37 O 0.13045995185867 0.00000000000000 0.25000000000000 15.999 > 37 38 O 0.63045995185867 0.00000000000000 0.25000000000000 15.999 > 37 39 O 0.13045995185867 0.50000000000000 0.25000000000000 15.999 > 37 40 O 0.63045995185867 0.50000000000000 0.25000000000000 15.999 > 37 41 O 0.00000000000000 0.13045995185867 0.25000000000000 15.999 > 41 42 O 0.50000000000000 0.13045995185867 0.25000000000000 15.999 > 41 43 O 0.00000000000000 0.63045995185867 0.25000000000000 15.999 > 41 44 O 0.50000000000000 0.63045995185867 0.25000000000000 15.999 > 41 45 O 0.46379328519200 0.29712661852534 0.08333333333333 15.999 > 45 46 O 0.96379328519200 0.29712661852534 0.08333333333333 15.999 > 45 47 O 0.46379328519200 0.79712661852534 0.08333333333333 15.999 > 45 48 O 0.96379328519200 0.79712661852534 0.08333333333333 15.999 > 45 49 O 0.03620671480800 0.33333333333333 0.41666666666667 15.999 > 25 50 O 0.53620671480800 0.33333333333333 0.41666666666667 15.999 > 25 51 O 0.03620671480800 0.83333333333333 0.41666666666667 15.999 > 25 52 O 0.53620671480800 0.83333333333333 0.41666666666667 15.999 > 25 53 O 0.16666666666667 0.20287338147466 0.41666666666667 15.999 > 29 54 O 0.66666666666667 0.20287338147466 0.41666666666667 15.999 > 29 55 O 0.16666666666667 0.70287338147466 0.41666666666667 15.999 > 29 56 O 0.66666666666667 0.70287338147466 0.41666666666667 15.999 > 29 57 O 0.20287338147466 0.03620671480800 0.58333333333333 15.999 > 33 58 O 0.70287338147466 0.03620671480800 0.58333333333333 15.999 > 33 59 O 0.20287338147466 0.53620671480800 0.58333333333333 15.999 > 33 60 O 0.70287338147466 0.53620671480800 0.58333333333333 15.999 > 33 61 O 0.46379328519200 0.16666666666667 0.58333333333333 15.999 > 37 62 O 0.96379328519200 0.16666666666667 0.58333333333333 15.999 > 37 63 O 0.46379328519200 0.66666666666667 0.58333333333333 15.999 > 37 64 O 0.96379328519200 0.66666666666667 0.58333333333333 15.999 > 37 65 O 0.33333333333333 0.29712661852534 0.58333333333333 15.999 > 41 66 O 0.83333333333333 0.29712661852534 0.58333333333333 15.999 > 41 67 O 0.33333333333333 0.79712661852534 0.58333333333333 15.999 > 41 68 O 0.83333333333333 0.79712661852534 0.58333333333333 15.999 > 41 69 O 0.29712661852534 0.46379328519200 0.41666666666667 15.999 > 45 70 O 0.79712661852534 0.46379328519200 0.41666666666667 15.999 > 45 71 O 0.29712661852534 0.96379328519200 0.41666666666667 15.999 > 45 72 O 0.79712661852534 0.96379328519200 0.41666666666667 15.999 > 45 73 O 0.36954004814133 0.00000000000000 0.75000000000000 15.999 > 25 74 O 0.86954004814133 0.00000000000000 0.75000000000000 15.999 > 25 75 O 0.36954004814133 0.50000000000000 0.75000000000000 15.999 > 25 76 O 0.86954004814133 0.50000000000000 0.75000000000000 15.999 > 25 77 O 0.00000000000000 0.36954004814133 0.75000000000000 15.999 > 29 78 O 0.50000000000000 0.36954004814133 0.75000000000000 15.999 > 29 79 O 0.00000000000000 0.86954004814133 0.75000000000000 15.999 > 29 80 O 0.50000000000000 0.86954004814133 0.75000000000000 15.999 > 29 81 O 0.03620671480800 0.20287338147466 0.91666666666667 15.999 > 33 82 O 0.53620671480800 0.20287338147466 0.91666666666667 15.999 > 33 83 O 0.03620671480800 0.70287338147466 0.91666666666667 15.999 > 33 84 O 0.53620671480800 0.70287338147466 0.91666666666667 15.999 > 33 85 O 0.29712661852534 0.33333333333333 0.91666666666667 15.999 > 37 86 O 0.79712661852534 0.33333333333333 0.91666666666667 15.999 > 37 87 O 0.29712661852534 0.83333333333333 0.91666666666667 15.999 > 37 88 O 0.79712661852534 0.83333333333333 0.91666666666667 15.999 > 37 89 O 0.16666666666667 0.46379328519200 0.91666666666667 15.999 > 41 90 O 0.66666666666667 0.46379328519200 0.91666666666667 15.999 > 41 91 O 0.16666666666667 0.96379328519200 0.91666666666667 15.999 > 41 92 O 0.66666666666667 0.96379328519200 0.91666666666667 15.999 > 41 93 O 0.13045995185867 0.13045995185867 0.75000000000000 15.999 > 45 94 O 0.63045995185867 0.13045995185867 0.75000000000000 15.999 > 45 95 O 0.13045995185867 0.63045995185867 0.75000000000000 15.999 > 45 96 O 0.63045995185867 0.63045995185867 0.75000000000000 15.999 > 45 97 Cd 0.16666666666667 0.33333333333333 0.16666666666667 112.411 > 97 98 Cd 0.66666666666667 0.33333333333333 0.16666666666667 112.411 > 97 99 Cd 0.16666666666667 0.83333333333333 0.16666666666667 112.411 > 97 100 Cd 0.66666666666667 0.83333333333333 0.16666666666667 112.411 > 97 101 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 101 102 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 101 103 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 101 104 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 101 105 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 97 106 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 97 107 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 97 108 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 97 109 Cd 0.33333333333333 0.16666666666667 0.33333333333333 112.411 > 101 110 Cd 0.83333333333333 0.16666666666667 0.33333333333333 112.411 > 101 111 Cd 0.33333333333333 0.66666666666667 0.33333333333333 112.411 > 101 112 Cd 0.83333333333333 0.66666666666667 0.33333333333333 112.411 > 101 113 Cd 0.33333333333333 0.16666666666667 0.83333333333333 112.411 > 97 114 Cd 0.83333333333333 0.16666666666667 0.83333333333333 112.411 > 97 115 Cd 0.33333333333333 0.66666666666667 0.83333333333333 112.411 > 97 116 Cd 0.83333333333333 0.66666666666667 0.83333333333333 112.411 > 97 117 Cd 0.16666666666667 0.33333333333333 0.66666666666667 112.411 > 101 118 Cd 0.66666666666667 0.33333333333333 0.66666666666667 112.411 > 101 119 Cd 0.16666666666667 0.83333333333333 0.66666666666667 112.411 > 101 120 Cd 0.66666666666667 0.83333333333333 0.66666666666667 112.411 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6928497 0.0000000 0.0000000 0.0000000 3.6928497 0.0000000 0.0000000 0.0000000 2.7727576 -------------------------- Born effective charges -------------------------- 1 C 3.3917863 0.0000000 -0.0000000 -0.0000000 3.3917863 0.0000000 0.0000000 0.0000000 0.1293469 2 C 3.3917863 0.0000000 -0.0000000 -0.0000000 3.3917863 0.0000000 0.0000000 0.0000000 0.1293469 3 O -2.8182728 0.0000000 -0.0000000 -0.0000000 -1.1863773 -0.2717192 0.0000000 -0.2004159 -0.8465827 4 O -1.5943512 0.7066315 0.2353158 0.7066315 -2.4102989 0.1358596 0.1735653 0.1002080 -0.8465827 5 O -1.5943512 -0.7066315 -0.2353158 -0.7066315 -2.4102989 0.1358596 -0.1735653 0.1002080 -0.8465827 6 O -2.8182728 0.0000000 -0.0000000 -0.0000000 -1.1863773 -0.2717192 0.0000000 -0.2004159 -0.8465827 7 O -1.5943512 0.7066315 0.2353158 0.7066315 -2.4102989 0.1358596 0.1735653 0.1002080 -0.8465827 8 O -1.5943512 -0.7066315 -0.2353158 -0.7066315 -2.4102989 0.1358596 -0.1735653 0.1002080 -0.8465827 9 Cd 2.6151888 -0.1743687 -0.0000000 0.1743687 2.6151888 0.0000000 0.0000000 0.0000000 2.4104011 10 Cd 2.6151888 0.1743687 -0.0000000 -0.1743687 2.6151888 0.0000000 0.0000000 0.0000000 2.4104011 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: 0.00000007 (yxy) 0.00000007 (yxy) 0.00000007 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yx) -0.00000001 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:08:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:08:21]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.480162971062848 1.431922758977275 5.391389053333326 b -2.480162971062843 1.431922758977275 5.391389053333326 c 0.000000000000003 -2.863845517954553 5.391389053333326 Atomic positions (fractional): 1 C 0.75000000000000 0.75000000000000 0.75000000000000 12.011 2 C 0.25000000000000 0.25000000000000 0.25000000000000 12.011 3 O 0.48908009628266 0.01091990371734 0.75000000000000 15.999 4 O 0.75000000000000 0.48908009628266 0.01091990371734 15.999 5 O 0.98908009628266 0.25000000000000 0.51091990371734 15.999 6 O 0.51091990371734 0.98908009628266 0.25000000000000 15.999 7 O 0.25000000000000 0.51091990371734 0.98908009628266 15.999 8 O 0.01091990371734 0.75000000000000 0.48908009628266 15.999 9 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 10 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.920651884251383 0.000000000000000 0.000000000000000 b -4.960325942125692 8.591536553863657 0.000000000000000 c 0.000000000000000 0.000000000000000 16.174167159999996 Atomic positions (fractional): 1 C 0.33333333333333 0.16666666666667 0.08333333333333 12.011 > 1 2 C 0.83333333333333 0.16666666666667 0.08333333333333 12.011 > 1 3 C 0.33333333333333 0.66666666666667 0.08333333333333 12.011 > 1 4 C 0.83333333333333 0.66666666666667 0.08333333333333 12.011 > 1 5 C 0.00000000000000 0.00000000000000 0.25000000000000 12.011 > 5 6 C 0.50000000000000 0.00000000000000 0.25000000000000 12.011 > 5 7 C 0.00000000000000 0.50000000000000 0.25000000000000 12.011 > 5 8 C 0.50000000000000 0.50000000000000 0.25000000000000 12.011 > 5 9 C 0.16666666666667 0.33333333333333 0.41666666666667 12.011 > 1 10 C 0.66666666666667 0.33333333333333 0.41666666666667 12.011 > 1 11 C 0.16666666666667 0.83333333333333 0.41666666666667 12.011 > 1 12 C 0.66666666666667 0.83333333333333 0.41666666666667 12.011 > 1 13 C 0.33333333333333 0.16666666666667 0.58333333333333 12.011 > 5 14 C 0.83333333333333 0.16666666666667 0.58333333333333 12.011 > 5 15 C 0.33333333333333 0.66666666666667 0.58333333333333 12.011 > 5 16 C 0.83333333333333 0.66666666666667 0.58333333333333 12.011 > 5 17 C 0.00000000000000 0.00000000000000 0.75000000000000 12.011 > 1 18 C 0.50000000000000 0.00000000000000 0.75000000000000 12.011 > 1 19 C 0.00000000000000 0.50000000000000 0.75000000000000 12.011 > 1 20 C 0.50000000000000 0.50000000000000 0.75000000000000 12.011 > 1 21 C 0.16666666666667 0.33333333333333 0.91666666666667 12.011 > 5 22 C 0.66666666666667 0.33333333333333 0.91666666666667 12.011 > 5 23 C 0.16666666666667 0.83333333333333 0.91666666666667 12.011 > 5 24 C 0.66666666666667 0.83333333333333 0.91666666666667 12.011 > 5 25 O 0.20287338147466 0.16666666666667 0.08333333333333 15.999 > 25 26 O 0.70287338147466 0.16666666666667 0.08333333333333 15.999 > 25 27 O 0.20287338147466 0.66666666666667 0.08333333333333 15.999 > 25 28 O 0.70287338147466 0.66666666666667 0.08333333333333 15.999 > 25 29 O 0.33333333333333 0.03620671480800 0.08333333333333 15.999 > 29 30 O 0.83333333333333 0.03620671480800 0.08333333333333 15.999 > 29 31 O 0.33333333333333 0.53620671480800 0.08333333333333 15.999 > 29 32 O 0.83333333333333 0.53620671480800 0.08333333333333 15.999 > 29 33 O 0.36954004814133 0.36954004814133 0.25000000000000 15.999 > 33 34 O 0.86954004814133 0.36954004814133 0.25000000000000 15.999 > 33 35 O 0.36954004814133 0.86954004814133 0.25000000000000 15.999 > 33 36 O 0.86954004814133 0.86954004814133 0.25000000000000 15.999 > 33 37 O 0.13045995185867 0.00000000000000 0.25000000000000 15.999 > 37 38 O 0.63045995185867 0.00000000000000 0.25000000000000 15.999 > 37 39 O 0.13045995185867 0.50000000000000 0.25000000000000 15.999 > 37 40 O 0.63045995185867 0.50000000000000 0.25000000000000 15.999 > 37 41 O 0.00000000000000 0.13045995185867 0.25000000000000 15.999 > 41 42 O 0.50000000000000 0.13045995185867 0.25000000000000 15.999 > 41 43 O 0.00000000000000 0.63045995185867 0.25000000000000 15.999 > 41 44 O 0.50000000000000 0.63045995185867 0.25000000000000 15.999 > 41 45 O 0.46379328519200 0.29712661852534 0.08333333333333 15.999 > 45 46 O 0.96379328519200 0.29712661852534 0.08333333333333 15.999 > 45 47 O 0.46379328519200 0.79712661852534 0.08333333333333 15.999 > 45 48 O 0.96379328519200 0.79712661852534 0.08333333333333 15.999 > 45 49 O 0.03620671480800 0.33333333333333 0.41666666666667 15.999 > 25 50 O 0.53620671480800 0.33333333333333 0.41666666666667 15.999 > 25 51 O 0.03620671480800 0.83333333333333 0.41666666666667 15.999 > 25 52 O 0.53620671480800 0.83333333333333 0.41666666666667 15.999 > 25 53 O 0.16666666666667 0.20287338147466 0.41666666666667 15.999 > 29 54 O 0.66666666666667 0.20287338147466 0.41666666666667 15.999 > 29 55 O 0.16666666666667 0.70287338147466 0.41666666666667 15.999 > 29 56 O 0.66666666666667 0.70287338147466 0.41666666666667 15.999 > 29 57 O 0.20287338147466 0.03620671480800 0.58333333333333 15.999 > 33 58 O 0.70287338147466 0.03620671480800 0.58333333333333 15.999 > 33 59 O 0.20287338147466 0.53620671480800 0.58333333333333 15.999 > 33 60 O 0.70287338147466 0.53620671480800 0.58333333333333 15.999 > 33 61 O 0.46379328519200 0.16666666666667 0.58333333333333 15.999 > 37 62 O 0.96379328519200 0.16666666666667 0.58333333333333 15.999 > 37 63 O 0.46379328519200 0.66666666666667 0.58333333333333 15.999 > 37 64 O 0.96379328519200 0.66666666666667 0.58333333333333 15.999 > 37 65 O 0.33333333333333 0.29712661852534 0.58333333333333 15.999 > 41 66 O 0.83333333333333 0.29712661852534 0.58333333333333 15.999 > 41 67 O 0.33333333333333 0.79712661852534 0.58333333333333 15.999 > 41 68 O 0.83333333333333 0.79712661852534 0.58333333333333 15.999 > 41 69 O 0.29712661852534 0.46379328519200 0.41666666666667 15.999 > 45 70 O 0.79712661852534 0.46379328519200 0.41666666666667 15.999 > 45 71 O 0.29712661852534 0.96379328519200 0.41666666666667 15.999 > 45 72 O 0.79712661852534 0.96379328519200 0.41666666666667 15.999 > 45 73 O 0.36954004814133 0.00000000000000 0.75000000000000 15.999 > 25 74 O 0.86954004814133 0.00000000000000 0.75000000000000 15.999 > 25 75 O 0.36954004814133 0.50000000000000 0.75000000000000 15.999 > 25 76 O 0.86954004814133 0.50000000000000 0.75000000000000 15.999 > 25 77 O 0.00000000000000 0.36954004814133 0.75000000000000 15.999 > 29 78 O 0.50000000000000 0.36954004814133 0.75000000000000 15.999 > 29 79 O 0.00000000000000 0.86954004814133 0.75000000000000 15.999 > 29 80 O 0.50000000000000 0.86954004814133 0.75000000000000 15.999 > 29 81 O 0.03620671480800 0.20287338147466 0.91666666666667 15.999 > 33 82 O 0.53620671480800 0.20287338147466 0.91666666666667 15.999 > 33 83 O 0.03620671480800 0.70287338147466 0.91666666666667 15.999 > 33 84 O 0.53620671480800 0.70287338147466 0.91666666666667 15.999 > 33 85 O 0.29712661852534 0.33333333333333 0.91666666666667 15.999 > 37 86 O 0.79712661852534 0.33333333333333 0.91666666666667 15.999 > 37 87 O 0.29712661852534 0.83333333333333 0.91666666666667 15.999 > 37 88 O 0.79712661852534 0.83333333333333 0.91666666666667 15.999 > 37 89 O 0.16666666666667 0.46379328519200 0.91666666666667 15.999 > 41 90 O 0.66666666666667 0.46379328519200 0.91666666666667 15.999 > 41 91 O 0.16666666666667 0.96379328519200 0.91666666666667 15.999 > 41 92 O 0.66666666666667 0.96379328519200 0.91666666666667 15.999 > 41 93 O 0.13045995185867 0.13045995185867 0.75000000000000 15.999 > 45 94 O 0.63045995185867 0.13045995185867 0.75000000000000 15.999 > 45 95 O 0.13045995185867 0.63045995185867 0.75000000000000 15.999 > 45 96 O 0.63045995185867 0.63045995185867 0.75000000000000 15.999 > 45 97 Cd 0.16666666666667 0.33333333333333 0.16666666666667 112.411 > 97 98 Cd 0.66666666666667 0.33333333333333 0.16666666666667 112.411 > 97 99 Cd 0.16666666666667 0.83333333333333 0.16666666666667 112.411 > 97 100 Cd 0.66666666666667 0.83333333333333 0.16666666666667 112.411 > 97 101 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 101 102 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 101 103 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 101 104 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 101 105 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 97 106 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 97 107 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 97 108 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 97 109 Cd 0.33333333333333 0.16666666666667 0.33333333333333 112.411 > 101 110 Cd 0.83333333333333 0.16666666666667 0.33333333333333 112.411 > 101 111 Cd 0.33333333333333 0.66666666666667 0.33333333333333 112.411 > 101 112 Cd 0.83333333333333 0.66666666666667 0.33333333333333 112.411 > 101 113 Cd 0.33333333333333 0.16666666666667 0.83333333333333 112.411 > 97 114 Cd 0.83333333333333 0.16666666666667 0.83333333333333 112.411 > 97 115 Cd 0.33333333333333 0.66666666666667 0.83333333333333 112.411 > 97 116 Cd 0.83333333333333 0.66666666666667 0.83333333333333 112.411 > 97 117 Cd 0.16666666666667 0.33333333333333 0.66666666666667 112.411 > 101 118 Cd 0.66666666666667 0.33333333333333 0.66666666666667 112.411 > 101 119 Cd 0.16666666666667 0.83333333333333 0.66666666666667 112.411 > 101 120 Cd 0.66666666666667 0.83333333333333 0.66666666666667 112.411 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6928497 0.0000000 0.0000000 0.0000000 3.6928497 0.0000000 0.0000000 0.0000000 2.7727576 -------------------------- Born effective charges -------------------------- 1 C 3.3917863 0.0000000 -0.0000000 -0.0000000 3.3917863 0.0000000 0.0000000 0.0000000 0.1293469 2 C 3.3917863 0.0000000 -0.0000000 -0.0000000 3.3917863 0.0000000 0.0000000 0.0000000 0.1293469 3 O -2.8182728 0.0000000 -0.0000000 -0.0000000 -1.1863773 -0.2717192 0.0000000 -0.2004159 -0.8465827 4 O -1.5943512 0.7066315 0.2353158 0.7066315 -2.4102989 0.1358596 0.1735653 0.1002080 -0.8465827 5 O -1.5943512 -0.7066315 -0.2353158 -0.7066315 -2.4102989 0.1358596 -0.1735653 0.1002080 -0.8465827 6 O -2.8182728 0.0000000 -0.0000000 -0.0000000 -1.1863773 -0.2717192 0.0000000 -0.2004159 -0.8465827 7 O -1.5943512 0.7066315 0.2353158 0.7066315 -2.4102989 0.1358596 0.1735653 0.1002080 -0.8465827 8 O -1.5943512 -0.7066315 -0.2353158 -0.7066315 -2.4102989 0.1358596 -0.1735653 0.1002080 -0.8465827 9 Cd 2.6151888 -0.1743687 -0.0000000 0.1743687 2.6151888 0.0000000 0.0000000 0.0000000 2.4104011 10 Cd 2.6151888 0.1743687 -0.0000000 -0.1743687 2.6151888 0.0000000 0.0000000 0.0000000 2.4104011 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000007 (yxy) 0.00000007 (yxy) 0.00000007 (yyx) 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 ... [ 12 12 12 ] 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: 0.85, Number of G-points: 309, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/189) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 189 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 2.692 ( 0.000 0.000 0.000) 0.000 3.306 ( 0.000 0.000 0.000) 0.000 3.306 ( 0.000 0.000 0.000) 0.000 4.584 ( 0.000 0.000 0.000) 0.000 4.584 ( 0.000 0.000 0.000) 0.000 4.834 ( 0.000 0.000 0.000) 0.000 4.834 ( 0.000 0.000 0.000) 0.000 4.951 ( 0.000 0.000 0.000) 0.000 5.913 ( 0.000 0.000 0.000) 0.000 7.846 ( 0.000 0.000 0.000) 0.000 7.846 ( 0.000 0.000 0.000) 0.000 8.296 ( 0.000 0.000 0.000) 0.000 8.296 ( 0.000 0.000 0.000) 0.000 9.341 ( 0.000 0.000 0.000) 0.000 10.949 ( 0.000 0.000 0.000) 0.000 20.542 ( 0.000 0.000 0.000) 0.000 20.542 ( 0.000 0.000 0.000) 0.000 20.769 ( 0.000 0.000 0.000) 0.000 20.769 ( 0.000 0.000 0.000) 0.000 24.189 ( 0.000 0.000 0.000) 0.000 24.335 ( 0.000 0.000 0.000) 0.000 32.160 ( 0.000 0.000 0.000) 0.000 32.199 ( 0.000 0.000 0.000) 0.000 41.640 ( 0.000 0.000 0.000) 0.000 41.640 ( 0.000 0.000 0.000) 0.000 41.719 ( 0.000 0.000 0.000) 0.000 41.719 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/189) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( 20.967 12.105 -8.471) 25.649 0.457 ( 21.320 12.309 -3.203) 24.825 1.249 ( 50.118 28.935 16.488) 60.174 2.770 ( -1.997 -1.153 21.004) 21.130 3.256 ( -3.483 -2.011 -3.565) 5.375 3.474 ( -1.037 -0.599 3.600) 3.794 4.420 ( -8.735 -5.043 -7.504) 12.571 4.789 ( -5.477 -3.162 3.997) 7.482 4.810 ( -2.547 -1.470 4.832) 5.657 5.186 ( 16.415 9.477 0.437) 18.960 5.578 ( 9.291 5.364 -4.148) 11.502 5.897 ( -1.257 -0.726 -0.798) 1.656 7.811 ( -1.798 -1.038 -1.391) 2.498 7.885 ( 3.256 1.880 0.455) 3.787 8.402 ( 9.175 5.297 -2.841) 10.969 9.214 ( 3.610 2.084 -23.311) 23.680 9.731 ( -13.658 -7.885 23.276) 28.115 10.894 ( -4.713 -2.721 -0.459) 5.461 20.515 ( -2.156 -1.245 -0.618) 2.565 20.568 ( 1.883 1.087 0.998) 2.392 20.741 ( -2.065 -1.192 -1.336) 2.733 20.804 ( -1.187 -0.685 0.227) 1.389 24.204 ( -0.568 -0.328 3.969) 4.023 24.336 ( 0.074 0.043 0.089) 0.124 32.145 ( -1.209 -0.698 0.024) 1.396 32.199 ( 0.109 0.063 -0.495) 0.510 41.596 ( -0.564 -0.325 3.084) 3.152 41.754 ( 3.863 2.230 -3.608) 5.738 41.928 ( 13.481 7.783 3.296) 15.912 45.501 ( 12.950 7.477 -74.461) 75.947 ======================= Grid point 2 (3/189) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 24.130 13.931 -6.848) 28.692 0.924 ( 21.443 12.380 -1.338) 24.797 2.350 ( 39.620 22.874 7.310) 46.329 2.889 ( 4.784 2.762 20.289) 21.027 3.127 ( -5.186 -2.994 -6.676) 8.968 3.472 ( -0.113 -0.065 2.793) 2.796 4.161 ( -10.710 -6.184 -8.587) 15.056 4.654 ( -8.440 -4.873 5.957) 11.422 4.800 ( -1.003 -0.579 8.176) 8.258 5.565 ( 16.096 9.293 -3.920) 18.995 5.797 ( 10.327 5.962 -0.693) 11.944 5.859 ( -1.090 -0.629 -0.430) 1.330 7.787 ( 1.029 0.594 -2.974) 3.203 7.983 ( 4.764 2.750 0.626) 5.536 8.637 ( 12.750 7.361 -4.478) 15.389 9.091 ( -12.443 -7.184 7.154) 16.050 9.558 ( -3.542 -2.045 -3.543) 5.411 10.739 ( -8.543 -4.932 -1.269) 9.946 20.450 ( -2.994 -1.729 -0.925) 3.579 20.625 ( 2.349 1.356 1.452) 3.077 20.669 ( -3.313 -1.913 -2.286) 4.456 20.765 ( -2.631 -1.519 1.320) 3.313 24.216 ( 0.279 0.161 1.739) 1.769 24.338 ( 0.074 0.043 0.096) 0.129 32.112 ( -1.611 -0.930 0.018) 1.860 32.198 ( 0.043 0.025 -0.894) 0.896 41.660 ( 3.886 2.244 5.724) 7.274 41.848 ( 6.732 3.886 -6.794) 10.323 42.316 ( 18.275 10.551 7.019) 22.238 45.365 ( 1.478 0.854 -40.278) 40.314 ======================= Grid point 3 (4/189) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 25.024 14.447 -5.649) 29.442 1.400 ( 20.902 12.068 1.182) 24.165 2.884 ( 11.887 6.863 -2.343) 13.925 2.985 ( -3.225 -1.862 -8.167) 8.976 3.217 ( 3.582 2.068 17.035) 17.530 3.645 ( 19.209 11.090 8.099) 23.613 3.857 ( -12.343 -7.126 -7.674) 16.187 4.478 ( -10.542 -6.086 8.169) 14.659 4.850 ( 1.018 0.588 9.982) 10.051 5.713 ( -0.192 -0.111 -6.827) 6.831 5.957 ( 9.947 5.743 -2.701) 11.799 5.998 ( 6.980 4.030 0.676) 8.088 7.832 ( 4.353 2.513 -3.646) 6.210 8.086 ( 3.569 2.061 2.231) 4.687 8.769 ( -17.581 -10.150 9.915) 22.592 8.893 ( 11.662 6.733 -6.149) 14.803 9.564 ( 4.605 2.659 -3.188) 6.200 10.513 ( -10.348 -5.975 -2.147) 12.141 20.384 ( -2.240 -1.293 -0.831) 2.717 20.583 ( -2.909 -1.680 -2.565) 4.227 20.665 ( -0.634 -0.366 1.156) 1.368 20.709 ( -2.113 -1.220 1.734) 2.994 24.234 ( 0.726 0.419 1.011) 1.313 24.339 ( -0.045 -0.026 -0.004) 0.052 32.080 ( -1.079 -0.623 0.012) 1.246 32.190 ( -0.299 -0.173 -1.119) 1.171 41.808 ( 5.708 3.295 7.985) 10.354 41.974 ( 7.898 4.560 -9.253) 12.992 42.797 ( 20.077 11.592 10.832) 25.589 45.158 ( -3.718 -2.146 -29.880) 30.187 ======================= Grid point 4 (5/189) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 19.163 11.064 4.098) 22.504 1.903 ( 23.470 13.550 -5.408) 27.635 2.931 ( 2.203 1.272 -7.861) 8.262 3.116 ( 9.698 5.599 1.141) 11.257 3.195 ( -5.973 -3.449 6.015) 9.151 3.559 ( -10.452 -6.034 -4.149) 12.762 4.120 ( 12.987 7.498 3.714) 15.449 4.261 ( -13.016 -7.515 9.594) 17.831 4.943 ( 2.748 1.587 11.764) 12.185 5.631 ( -3.352 -1.935 -6.476) 7.544 6.106 ( 2.357 1.361 1.967) 3.358 6.127 ( 7.044 4.067 -7.783) 11.257 7.934 ( 6.115 3.530 -3.264) 7.779 8.180 ( 3.338 1.927 8.655) 9.474 8.488 ( -10.620 -6.131 5.617) 13.488 9.045 ( 4.385 2.532 -9.671) 10.917 9.695 ( 6.994 4.038 0.892) 8.125 10.282 ( -8.629 -4.982 -1.984) 10.159 20.348 ( -0.557 -0.322 -0.550) 0.846 20.527 ( -0.726 -0.419 -2.114) 2.274 20.594 ( -4.644 -2.681 1.122) 5.479 20.699 ( -0.975 -0.563 1.035) 1.529 24.258 ( 0.955 0.551 0.717) 1.315 24.335 ( -0.276 -0.159 -0.174) 0.363 32.067 ( -0.064 -0.037 0.078) 0.108 32.172 ( -0.844 -0.488 -1.120) 1.485 41.977 ( 4.879 2.817 9.783) 11.289 42.093 ( 7.147 4.127 -10.857) 13.638 43.306 ( 19.148 11.055 14.363) 26.366 44.895 ( -7.068 -4.081 -25.095) 26.389 ======================= Grid point 5 (6/189) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 16.149 9.324 7.092) 19.950 2.363 ( 19.988 11.540 -6.128) 23.880 2.914 ( -3.120 -1.801 -11.054) 11.626 3.014 ( -11.829 -6.829 8.680) 16.184 3.388 ( 13.601 7.852 -3.824) 16.163 3.458 ( 4.798 2.770 4.451) 7.106 3.996 ( -15.182 -8.766 10.736) 20.557 4.146 ( -8.474 -4.892 -8.477) 12.946 5.117 ( 6.430 3.712 13.642) 15.531 5.502 ( -4.788 -2.764 -8.317) 9.986 6.153 ( 0.759 0.438 5.235) 5.308 6.197 ( 3.383 1.953 -9.425) 10.202 8.062 ( 6.444 3.720 -2.302) 7.788 8.325 ( -6.112 -3.529 0.970) 7.124 8.370 ( 7.822 4.516 16.660) 18.951 8.962 ( -5.929 -3.423 -14.572) 16.101 9.863 ( 6.901 3.984 1.881) 8.187 10.123 ( -5.163 -2.981 -0.986) 6.043 20.355 ( 1.388 0.801 -0.414) 1.655 20.493 ( -4.571 -2.639 0.772) 5.334 20.533 ( 1.974 1.140 -1.238) 2.595 20.660 ( -2.742 -1.583 0.566) 3.216 24.283 ( 0.979 0.565 0.587) 1.274 24.324 ( -0.565 -0.326 -0.350) 0.741 32.078 ( 0.882 0.509 0.275) 1.054 32.142 ( -1.316 -0.760 -0.913) 1.773 42.113 ( 2.167 1.251 11.026) 11.306 42.171 ( 4.765 2.751 -11.627) 12.863 43.788 ( 16.453 9.499 17.363) 25.737 44.583 ( -9.980 -5.762 -22.209) 25.021 ======================= Grid point 6 (7/189) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( -7.507 -4.334 -7.906) 11.732 2.638 ( 7.507 4.334 7.906) 11.732 2.762 ( 11.358 6.558 -9.706) 16.316 2.762 ( -11.358 -6.558 9.706) 16.316 3.672 ( -8.206 -4.738 -2.555) 9.814 3.672 ( 8.206 4.738 2.555) 9.814 3.799 ( -8.947 -5.166 -20.552) 23.003 3.799 ( 8.947 5.166 20.552) 23.003 5.329 ( -6.165 -3.559 -11.306) 13.360 5.329 ( 6.165 3.559 11.306) 13.360 6.193 ( 0.644 0.372 -8.334) 8.367 6.193 ( -0.644 -0.372 8.334) 8.367 8.194 ( -6.172 -3.563 1.405) 7.264 8.194 ( 6.172 3.563 -1.405) 7.264 8.679 ( -10.610 -6.125 -17.284) 21.185 8.679 ( 10.610 6.125 17.284) 21.185 10.008 ( -5.246 -3.029 -1.238) 6.182 10.008 ( 5.246 3.029 1.238) 6.182 20.406 ( -3.303 -1.907 0.493) 3.846 20.406 ( 3.303 1.907 -0.493) 3.846 20.592 ( -3.318 -1.916 0.600) 3.878 20.592 ( 3.318 1.916 -0.600) 3.878 24.307 ( -0.829 -0.478 -0.487) 1.073 24.307 ( 0.829 0.478 0.487) 1.073 32.107 ( -1.381 -0.798 -0.587) 1.700 32.107 ( 1.381 0.798 0.587) 1.700 42.181 ( 1.380 0.797 -11.657) 11.765 42.181 ( -1.380 -0.797 11.657) 11.765 44.216 ( -13.134 -7.583 -19.863) 24.991 44.216 ( 13.134 7.583 19.863) 24.991 ======================= Grid point 14 (8/189) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( -0.000 26.771 1.617) 26.820 0.649 ( -0.000 22.400 21.470) 31.027 1.212 ( -0.000 51.790 15.100) 53.947 2.877 ( -0.000 -11.570 25.948) 28.411 3.300 ( -0.000 -1.874 2.059) 2.784 3.472 ( -0.000 -5.144 5.061) 7.216 4.523 ( -0.000 -7.161 5.069) 8.773 4.710 ( 0.000 -8.679 -5.330) 10.185 4.728 ( 0.000 -5.623 -5.025) 7.541 5.167 ( -0.000 19.755 -2.034) 19.859 5.545 ( 0.000 11.949 -7.095) 13.897 5.888 ( 0.000 -1.698 -1.912) 2.558 7.845 ( -0.000 0.052 2.916) 2.917 7.869 ( 0.000 3.245 -1.555) 3.598 8.439 ( -0.000 11.915 1.966) 12.076 8.971 ( 0.000 9.292 -30.791) 32.162 9.967 ( -0.000 -19.466 29.158) 35.058 10.891 ( 0.000 -5.477 -0.887) 5.548 20.528 ( -0.000 -1.919 1.120) 2.221 20.548 ( 0.000 1.248 -1.324) 1.819 20.758 ( -0.000 -1.509 0.867) 1.740 20.778 ( 0.000 -1.829 -2.788) 3.335 24.232 ( -0.000 -3.103 6.340) 7.059 24.337 ( -0.000 0.076 0.180) 0.195 32.146 ( 0.000 -1.390 0.059) 1.391 32.196 ( 0.000 0.090 -0.809) 0.814 41.554 ( 0.000 -2.400 -2.322) 3.339 41.805 ( -0.000 7.083 2.983) 7.685 41.872 ( -0.000 12.399 -3.854) 12.984 45.055 ( 0.000 56.403 -107.166) 121.103 ======================= Grid point 15 (9/189) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -3.183 20.617 16.670) 26.704 0.934 ( 6.740 30.670 -2.730) 31.520 2.096 ( 30.256 35.912 12.303) 48.543 2.929 ( 2.731 -1.898 16.737) 17.065 3.201 ( -7.297 -1.154 0.749) 7.425 3.471 ( 1.276 -2.632 2.413) 3.792 4.260 ( -13.576 -4.415 -5.747) 15.389 4.539 ( 0.994 -14.712 4.391) 15.385 5.074 ( 25.844 -10.086 -1.957) 27.811 5.182 ( -11.579 20.004 1.191) 23.144 5.758 ( 8.475 11.410 -6.776) 15.746 5.857 ( 1.118 -0.413 -1.897) 2.241 7.765 ( -3.816 0.091 1.925) 4.275 8.032 ( 5.203 9.391 -0.313) 10.740 8.554 ( 2.039 11.445 -2.434) 11.877 9.036 ( 10.796 -2.992 -8.910) 14.314 9.734 ( -18.108 -10.026 13.021) 24.453 10.781 ( -4.515 -7.735 -1.679) 9.112 20.511 ( -4.225 1.239 -1.300) 4.591 20.556 ( 4.111 -2.706 1.286) 5.086 20.697 ( -2.849 -1.972 -1.736) 3.875 20.768 ( 0.313 -2.811 0.226) 2.837 24.229 ( -0.449 -0.770 3.085) 3.211 24.339 ( 0.030 0.065 0.187) 0.201 32.122 ( -0.938 -1.578 0.066) 1.837 32.192 ( 0.058 0.129 -1.181) 1.190 41.572 ( 5.003 -0.868 -0.026) 5.078 41.901 ( -1.098 12.484 -2.007) 12.692 42.131 ( 16.815 10.287 1.813) 19.795 45.112 ( 5.668 21.483 -59.083) 63.123 ======================= Grid point 16 (10/189) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 11.596 16.262 9.008) 21.910 1.378 ( 12.748 27.578 -2.391) 30.475 2.744 ( 13.239 8.901 1.804) 16.055 2.967 ( -3.155 -1.590 -5.881) 6.860 3.314 ( 6.028 9.798 20.719) 23.698 3.521 ( 9.543 5.961 2.116) 11.449 3.970 ( -12.276 -4.559 -4.552) 13.864 4.439 ( 1.116 -15.833 6.225) 17.049 5.108 ( -10.588 12.472 6.792) 17.715 5.458 ( 21.760 -5.017 -5.021) 22.888 5.777 ( 0.824 -2.777 -3.732) 4.724 6.028 ( 6.448 11.000 -4.858) 13.645 7.757 ( 1.113 0.770 2.101) 2.500 8.183 ( -0.023 12.671 -0.663) 12.689 8.718 ( 8.595 4.046 -2.852) 9.919 9.045 ( -9.336 -3.908 7.761) 12.754 9.479 ( -1.828 -2.799 -1.607) 3.709 10.582 ( -7.714 -8.853 -2.774) 12.065 20.439 ( -4.548 1.122 -1.026) 4.795 20.577 ( 0.029 -3.757 -1.069) 3.906 20.646 ( 0.963 -1.340 0.040) 1.651 20.730 ( -1.705 -3.154 0.925) 3.703 24.236 ( 0.196 0.162 1.584) 1.604 24.340 ( -0.037 -0.001 0.081) 0.089 32.091 ( -1.052 -1.121 0.058) 1.538 32.187 ( -0.098 0.108 -1.402) 1.410 41.694 ( 8.836 0.257 1.466) 8.960 42.002 ( -0.323 13.430 -3.195) 13.809 42.590 ( 22.292 10.305 6.174) 25.323 45.030 ( -1.288 7.257 -38.592) 39.290 ======================= Grid point 17 (11/189) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 19.477 11.939 3.922) 23.179 1.847 ( 13.627 23.885 -0.369) 27.501 2.811 ( 2.365 -5.941 -6.531) 9.140 3.032 ( 7.280 7.524 0.481) 10.480 3.344 ( -7.047 -1.289 6.418) 9.618 3.649 ( -8.095 -5.389 -5.313) 11.082 4.044 ( 11.817 15.280 9.976) 21.740 4.322 ( -1.934 -14.507 7.796) 16.582 5.113 ( -7.008 10.804 9.695) 16.119 5.596 ( 3.077 -2.648 -8.953) 9.831 5.836 ( 12.655 -5.282 -0.930) 13.744 6.163 ( 2.593 7.078 -6.264) 9.801 7.833 ( 4.821 1.624 2.539) 5.685 8.280 ( -0.874 9.934 1.195) 10.044 8.682 ( -13.960 -7.866 12.379) 20.249 8.967 ( 2.747 6.711 -8.025) 10.816 9.570 ( 10.043 0.946 -0.949) 10.132 10.345 ( -7.895 -8.081 -3.285) 11.766 20.382 ( -3.015 1.429 -0.599) 3.390 20.519 ( -1.041 -2.192 -2.034) 3.167 20.636 ( -2.456 -3.017 0.873) 3.987 20.685 ( 0.615 -2.826 0.877) 3.022 24.254 ( 0.655 0.509 0.950) 1.261 24.337 ( -0.215 -0.114 -0.101) 0.263 32.071 ( -0.427 -0.273 0.094) 0.515 32.175 ( -0.559 -0.016 -1.388) 1.496 41.869 ( 9.700 1.313 0.814) 9.823 42.110 ( 0.093 11.274 -1.721) 11.405 43.115 ( 23.153 9.769 9.725) 26.946 44.833 ( -5.596 0.944 -29.620) 30.159 ======================= Grid point 18 (12/189) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 21.534 9.179 0.535) 23.415 2.274 ( 12.045 18.006 1.673) 21.728 2.799 ( 5.317 -5.504 -5.719) 9.554 3.160 ( -10.735 -7.615 2.638) 13.423 3.262 ( 9.211 7.961 0.640) 12.192 3.508 ( -3.267 3.721 -1.210) 5.097 4.149 ( -6.795 -10.683 10.593) 16.508 4.229 ( -5.826 0.561 -2.128) 6.227 5.205 ( -0.885 10.241 12.227) 15.974 5.518 ( -3.540 -0.897 -9.704) 10.368 5.999 ( 11.212 -3.112 -0.675) 11.655 6.201 ( 0.274 3.015 -5.365) 6.160 7.962 ( 6.655 1.796 2.009) 7.180 8.353 ( -0.902 -0.765 2.516) 2.780 8.512 ( -6.774 4.510 15.667) 17.655 8.958 ( -3.584 0.697 -13.241) 13.735 9.757 ( 9.793 1.979 0.449) 10.001 10.155 ( -4.707 -5.588 -2.482) 7.716 20.362 ( -0.942 1.837 -0.338) 2.092 20.499 ( 1.501 -0.535 -1.385) 2.112 20.547 ( -4.359 -2.907 0.656) 5.280 20.666 ( -0.429 -3.315 0.483) 3.377 24.277 ( 0.868 0.603 0.671) 1.252 24.329 ( -0.477 -0.250 -0.287) 0.611 32.074 ( 0.451 0.585 0.229) 0.773 32.153 ( -1.148 -0.198 -1.152) 1.638 42.032 ( 7.449 2.867 -3.157) 8.583 42.198 ( -0.361 6.548 3.220) 7.306 43.638 ( 21.393 8.334 12.409) 26.098 44.564 ( -8.468 -2.852 -24.668) 26.236 ======================= Grid point 19 (13/189) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 20.445 7.088 -3.395) 21.904 2.605 ( 8.945 9.524 4.354) 13.773 2.724 ( -6.032 -4.944 -9.126) 12.004 2.887 ( -9.896 -13.499 7.707) 18.427 3.516 ( 10.524 8.883 -4.514) 14.492 3.601 ( 7.248 4.362 -1.997) 8.692 3.952 ( -16.786 -4.351 -6.387) 18.480 4.004 ( -8.979 -2.380 17.052) 19.418 5.353 ( -2.415 3.327 -5.014) 6.484 5.386 ( -2.532 4.931 3.078) 6.340 6.117 ( 4.204 0.488 -6.037) 7.373 6.206 ( 1.858 -1.601 4.382) 5.022 8.100 ( 7.024 0.896 0.992) 7.150 8.252 ( -5.285 -6.259 3.929) 9.085 8.699 ( 4.542 8.671 12.437) 15.827 8.743 ( -9.519 -0.734 -12.119) 15.428 9.924 ( 7.718 1.402 -0.072) 7.845 10.034 ( -3.435 -4.582 -2.066) 6.088 20.383 ( 1.372 2.248 -0.395) 2.664 20.454 ( -3.973 -1.849 0.445) 4.404 20.539 ( 3.592 0.420 -0.686) 3.681 20.613 ( -1.921 -3.464 0.396) 3.981 24.300 ( 0.847 0.542 0.518) 1.132 24.313 ( -0.761 -0.375 -0.419) 0.946 32.098 ( 1.110 1.146 0.453) 1.659 32.122 ( -1.514 -0.320 -0.775) 1.730 42.119 ( 2.218 3.970 -9.423) 10.463 42.262 ( -0.776 1.383 10.465) 10.585 44.108 ( 17.216 5.599 10.443) 20.900 44.246 ( -10.017 -4.691 -17.359) 20.583 ======================= Grid point 20 (14/189) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( -15.489 -10.138 -5.618) 19.346 2.587 ( -11.220 -9.361 0.415) 14.618 2.757 ( 12.531 0.351 -5.969) 13.884 2.898 ( 10.074 4.406 10.726) 15.360 3.528 ( -7.590 -5.012 -4.092) 9.974 3.602 ( -14.533 0.972 -6.486) 15.944 3.788 ( 11.514 5.561 -1.809) 12.914 4.156 ( 5.534 9.821 16.173) 19.714 5.169 ( -8.404 1.504 -15.088) 17.336 5.521 ( 2.128 5.679 7.147) 9.373 6.085 ( -0.070 -4.347 -5.898) 7.327 6.272 ( 0.771 0.068 8.334) 8.370 8.108 ( -5.287 -7.648 1.843) 9.479 8.228 ( 6.517 0.519 -0.398) 6.549 8.459 ( -10.676 1.626 -12.997) 16.899 8.987 ( 6.051 7.280 15.369) 18.051 9.899 ( -4.870 -5.822 -3.206) 8.240 10.050 ( 6.034 0.984 -0.151) 6.115 20.389 ( -2.563 -0.167 0.314) 2.587 20.446 ( 3.329 2.585 -0.547) 4.250 20.551 ( -1.702 -2.817 0.814) 3.391 20.606 ( 3.947 0.012 -0.526) 3.982 24.292 ( -0.992 -0.448 -0.480) 1.189 24.320 ( 0.650 0.390 0.379) 0.848 32.091 ( -1.355 -0.274 -0.396) 1.438 32.134 ( 1.283 1.261 0.689) 1.926 42.089 ( -2.386 0.929 -9.290) 9.637 42.298 ( -3.161 0.659 11.203) 11.659 43.854 ( -13.635 -8.349 -19.012) 24.841 44.534 ( 14.634 5.470 16.412) 22.659 ======================= Grid point 21 (15/189) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -17.871 -14.738 -2.227) 23.271 2.258 ( -19.078 -5.099 0.045) 19.748 2.838 ( 6.278 -7.886 -1.375) 10.173 3.145 ( 5.278 7.741 1.462) 9.483 3.298 ( -11.718 -5.391 3.663) 13.409 3.518 ( 2.039 8.635 -0.623) 8.895 4.013 ( 13.047 1.131 -5.257) 14.111 4.279 ( -8.659 1.521 3.846) 9.596 5.000 ( -6.045 6.743 -13.157) 15.972 5.628 ( 2.383 2.769 4.375) 5.699 5.994 ( -0.014 -10.732 -1.373) 10.819 6.294 ( -3.876 1.843 6.229) 7.565 7.944 ( -4.383 -8.135 -0.843) 9.279 8.289 ( -3.459 10.090 -11.414) 15.622 8.373 ( 4.213 0.054 4.169) 5.928 9.146 ( -1.695 1.895 10.970) 11.261 9.729 ( -5.503 -7.066 -3.186) 9.505 10.179 ( 8.329 2.119 0.525) 8.610 20.369 ( -1.015 1.782 0.579) 2.131 20.522 ( 0.497 -1.367 1.428) 2.038 20.534 ( 4.289 2.227 -0.840) 4.906 20.655 ( 2.845 -1.320 -0.945) 3.276 24.267 ( -1.111 -0.441 -0.494) 1.294 24.333 ( 0.367 0.212 0.223) 0.479 32.071 ( -0.616 -0.050 -0.127) 0.630 32.169 ( 0.984 0.970 0.806) 1.600 41.974 ( -4.964 -2.657 -7.050) 9.023 42.277 ( -7.160 1.791 9.619) 12.125 43.420 ( -16.646 -10.110 -15.523) 24.906 44.891 ( 11.925 4.572 16.900) 21.183 ======================= Grid point 22 (16/189) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -19.393 -15.792 -0.004) 25.010 1.858 ( -24.885 -1.563 1.651) 24.989 2.869 ( 5.209 -5.868 0.273) 7.852 3.082 ( -9.323 -0.805 4.667) 10.457 3.249 ( -2.071 5.679 -3.709) 7.092 3.752 ( 10.844 6.413 7.141) 14.482 3.914 ( -25.558 -5.739 -6.502) 26.989 4.194 ( 13.508 -4.423 -7.867) 16.246 4.960 ( -4.605 13.404 -9.395) 17.004 5.700 ( 2.064 -2.190 4.141) 5.120 5.846 ( -1.755 -15.163 0.229) 15.266 6.234 ( -8.985 2.612 2.850) 9.781 7.817 ( -1.941 -6.956 0.501) 7.239 8.276 ( -7.975 11.670 -0.970) 14.168 8.541 ( 12.806 4.159 -4.093) 14.073 9.081 ( -10.249 -1.322 6.457) 12.185 9.571 ( -2.600 -7.640 -0.797) 8.110 10.381 ( 11.441 3.178 1.270) 11.942 20.394 ( 0.393 3.601 1.014) 3.762 20.550 ( 2.792 -0.756 1.955) 3.491 20.619 ( 3.885 0.828 -1.325) 4.188 20.667 ( 1.777 -1.671 -1.444) 2.835 24.242 ( -1.094 -0.351 -0.507) 1.255 24.339 ( 0.100 0.068 0.074) 0.142 32.071 ( 0.487 0.227 -0.009) 0.537 32.192 ( 0.470 0.504 0.728) 1.002 41.813 ( -5.900 -4.461 -4.931) 8.890 42.195 ( -10.567 3.196 7.796) 13.515 42.949 ( -18.654 -10.609 -11.578) 24.384 45.200 ( 9.661 3.817 16.654) 19.628 ======================= Grid point 23 (17/189) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -20.290 -12.046 1.265) 23.630 1.420 ( -27.950 0.684 3.195) 28.141 2.809 ( -12.076 -5.310 7.969) 15.413 2.926 ( -27.815 -2.853 -13.663) 31.121 3.111 ( 1.460 1.563 0.251) 2.153 3.486 ( -6.366 -1.350 -2.400) 6.936 4.079 ( 11.873 6.837 8.572) 16.161 4.321 ( 14.264 -7.932 -8.523) 18.412 4.999 ( -4.463 19.384 -6.835) 21.032 5.522 ( -7.517 -23.283 3.292) 24.687 5.812 ( 3.245 0.101 0.674) 3.316 6.069 ( -14.175 2.152 0.344) 14.342 7.749 ( 0.023 -4.418 1.114) 4.556 8.201 ( -12.108 7.475 0.910) 14.259 8.727 ( 2.126 -4.125 -1.426) 4.855 8.969 ( -0.181 7.197 -1.423) 7.339 9.517 ( 3.355 -4.688 3.020) 6.508 10.609 ( 11.322 2.206 0.744) 11.558 20.457 ( 1.223 4.938 1.384) 5.272 20.580 ( 1.666 -4.723 -0.724) 5.060 20.653 ( 2.385 0.614 0.721) 2.566 20.711 ( 3.694 0.614 -1.319) 3.970 24.220 ( -0.961 -0.196 -0.497) 1.100 24.339 ( -0.072 -0.003 -0.012) 0.073 32.091 ( 1.491 0.320 0.005) 1.525 32.202 ( 0.047 0.133 0.445) 0.467 41.658 ( -4.873 -3.664 -2.754) 6.690 42.072 ( -12.034 3.990 5.226) 13.713 42.487 ( -18.812 -8.674 -6.860) 21.821 45.459 ( 7.839 2.587 14.050) 16.296 ======================= Grid point 24 (18/189) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( -20.029 -0.000 0.000) 20.029 0.964 ( -28.502 -0.000 0.000) 28.502 2.010 ( -55.917 -0.000 0.000) 55.917 2.748 ( -3.345 -0.000 0.000) 3.345 3.210 ( 5.228 0.000 -0.000) 5.228 3.452 ( 0.372 0.000 -0.000) 0.372 4.328 ( 9.380 0.000 -0.000) 9.380 4.483 ( 14.229 0.000 -0.000) 14.229 5.098 ( -1.520 -0.000 0.000) 1.520 5.166 ( -12.993 -0.000 0.000) 12.993 5.817 ( -16.398 -0.000 0.000) 16.398 5.868 ( 2.642 0.000 -0.000) 2.642 7.749 ( 2.404 0.000 -0.000) 2.404 8.038 ( -11.012 -0.000 0.000) 11.012 8.572 ( -11.542 -0.000 0.000) 11.542 9.132 ( 10.484 0.000 -0.000) 10.484 9.603 ( 6.327 0.000 -0.000) 6.327 10.794 ( 8.745 0.000 -0.000) 8.745 20.527 ( 0.900 0.000 -0.000) 0.900 20.541 ( 0.286 0.000 -0.000) 0.286 20.712 ( 2.952 0.000 -0.000) 2.952 20.766 ( 2.922 0.000 -0.000) 2.922 24.202 ( -0.749 -0.000 0.000) 0.749 24.337 ( -0.120 -0.000 0.000) 0.120 32.122 ( 1.828 0.000 -0.000) 1.828 32.203 ( -0.134 -0.000 0.000) 0.134 41.572 ( -1.714 -0.000 0.000) 1.714 41.919 ( -10.628 -0.000 0.000) 10.628 42.115 ( -16.796 -0.000 0.000) 16.796 45.638 ( 6.199 0.000 -0.000) 6.199 ======================= Grid point 27 (19/189) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -0.000 26.289 1.450) 26.329 1.306 ( -0.000 23.367 19.170) 30.224 2.225 ( -0.000 34.566 9.443) 35.833 2.985 ( -0.000 6.364 10.936) 12.653 3.258 ( 0.000 -4.683 0.549) 4.715 3.423 ( -0.000 -4.053 4.376) 5.964 4.405 ( 0.000 -16.192 -1.472) 16.259 4.450 ( 0.000 -5.653 1.737) 5.914 4.600 ( 0.000 -2.711 -1.411) 3.057 5.594 ( -0.000 24.188 -1.921) 24.264 5.672 ( 0.000 8.025 -8.061) 11.375 5.808 ( 0.000 -3.022 -3.476) 4.606 7.934 ( 0.000 4.697 -2.055) 5.127 7.954 ( -0.000 5.929 7.618) 9.653 8.735 ( -0.000 15.612 1.651) 15.699 8.796 ( 0.000 -4.853 -9.255) 10.450 9.860 ( -0.000 -12.601 10.885) 16.651 10.721 ( 0.000 -10.143 -2.446) 10.434 20.497 ( -0.000 -2.861 2.075) 3.534 20.560 ( 0.000 1.836 -2.465) 3.074 20.691 ( 0.000 -3.827 -3.012) 4.870 20.729 ( -0.000 -2.680 1.461) 3.053 24.239 ( -0.000 -0.952 2.728) 2.889 24.340 ( -0.000 0.043 0.205) 0.209 32.113 ( 0.000 -1.823 0.100) 1.826 32.186 ( 0.000 0.088 -1.358) 1.361 41.531 ( 0.000 2.503 -2.450) 3.502 42.041 ( -0.000 12.260 5.452) 13.417 42.074 ( 0.000 14.233 -8.148) 16.400 45.031 ( 0.000 24.159 -49.669) 55.233 ======================= Grid point 28 (20/189) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -0.687 22.073 9.352) 23.983 1.541 ( -2.776 27.887 7.635) 29.046 2.628 ( 11.006 7.091 3.337) 13.511 3.041 ( -7.475 3.003 -3.752) 8.887 3.365 ( 12.539 14.029 12.334) 22.498 3.440 ( 2.636 -1.968 1.499) 3.615 4.134 ( -10.930 -6.083 -0.322) 12.513 4.309 ( -1.907 -10.873 5.059) 12.143 4.892 ( 23.524 -6.645 1.495) 24.490 5.543 ( -11.448 14.117 -2.885) 18.403 5.724 ( 0.176 -2.427 -6.301) 6.755 5.970 ( 8.542 13.173 -5.152) 16.524 7.852 ( -6.175 3.893 4.006) 8.327 8.209 ( 8.730 7.151 2.629) 11.587 8.675 ( -0.481 2.129 -2.757) 3.516 9.011 ( 9.671 7.100 1.392) 12.078 9.644 ( -15.264 -8.677 5.666) 18.449 10.566 ( -3.853 -11.414 -3.578) 12.567 20.505 ( 1.741 -3.113 1.347) 3.812 20.527 ( -3.097 1.354 -1.887) 3.871 20.624 ( -0.974 -3.294 -2.155) 4.055 20.714 ( 0.060 -3.297 1.052) 3.461 24.244 ( -0.018 -0.204 1.760) 1.772 24.341 ( -0.033 -0.018 0.114) 0.120 32.092 ( -0.520 -1.419 0.107) 1.515 32.181 ( 0.077 0.092 -1.509) 1.513 41.596 ( 5.018 3.641 -0.733) 6.243 42.132 ( -1.349 13.482 -4.437) 14.258 42.370 ( 16.832 12.507 2.230) 21.088 44.979 ( -2.759 13.801 -36.656) 39.266 ======================= Grid point 29 (21/189) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 0.885 19.481 11.810) 22.799 1.890 ( 8.852 24.620 1.396) 26.201 2.702 ( 0.117 -5.079 -5.861) 7.756 3.009 ( 3.655 3.969 1.039) 5.495 3.437 ( -2.603 -2.060 3.897) 5.120 3.648 ( 0.220 0.005 -5.092) 5.097 4.105 ( 5.481 2.219 9.695) 11.356 4.232 ( -0.473 -0.862 7.278) 7.344 5.179 ( 16.186 -7.214 4.302) 18.236 5.497 ( -4.943 8.923 -5.133) 11.419 5.703 ( 2.570 0.198 -2.970) 3.932 6.144 ( 2.773 9.919 -6.918) 12.408 7.851 ( -0.726 2.526 4.941) 5.596 8.349 ( 1.188 3.221 2.553) 4.278 8.762 ( 4.748 2.834 2.695) 6.151 9.120 ( -10.620 3.900 3.517) 11.847 9.433 ( 2.544 0.144 -1.386) 2.901 10.350 ( -5.767 -10.851 -4.477) 13.078 20.457 ( -3.833 1.543 -1.325) 4.339 20.498 ( -0.728 -2.958 -0.917) 3.181 20.601 ( 2.168 -3.132 0.242) 3.817 20.672 ( -1.615 -3.482 0.790) 3.918 24.255 ( 0.357 0.317 1.082) 1.182 24.339 ( -0.158 -0.102 -0.053) 0.195 32.075 ( -0.358 -0.545 0.128) 0.664 32.174 ( -0.107 0.112 -1.503) 1.511 41.748 ( 8.035 4.250 0.496) 9.103 42.215 ( -0.653 11.406 -3.979) 12.098 42.845 ( 23.173 10.448 4.848) 25.877 44.824 ( -6.892 6.015 -28.209) 29.655 ======================= Grid point 30 (22/189) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 8.507 16.287 6.064) 19.350 2.274 ( 10.432 16.704 3.823) 20.061 2.634 ( 3.106 -4.378 -6.533) 8.455 3.182 ( 8.351 5.784 2.476) 10.456 3.293 ( -10.093 -7.821 2.512) 13.013 3.584 ( -3.148 3.548 -3.452) 5.867 4.101 ( 3.098 -13.750 6.129) 15.370 4.347 ( -5.010 7.414 0.279) 8.953 5.366 ( 6.426 0.639 10.799) 12.582 5.477 ( -1.849 3.934 -8.655) 9.686 5.802 ( 9.002 1.465 0.082) 9.121 6.199 ( -0.867 6.371 -7.341) 9.759 7.913 ( 3.328 0.154 3.853) 5.093 8.382 ( -1.498 -1.060 6.606) 6.856 8.790 ( -8.987 3.419 14.403) 17.318 8.973 ( -5.109 4.409 -11.709) 13.515 9.597 ( 10.726 2.677 -1.101) 11.109 10.146 ( -4.064 -8.230 -4.096) 10.051 20.414 ( -2.900 2.286 -0.598) 3.741 20.462 ( 0.682 -1.831 -1.208) 2.297 20.581 ( -2.326 -3.216 0.585) 4.012 20.625 ( 0.656 -3.759 0.441) 3.841 24.273 ( 0.686 0.526 0.709) 1.118 24.333 ( -0.375 -0.193 -0.222) 0.476 32.074 ( 0.288 0.417 0.211) 0.548 32.162 ( -0.635 0.080 -1.292) 1.442 41.933 ( 7.906 5.157 -0.415) 9.448 42.283 ( -0.634 7.241 -0.974) 7.334 43.370 ( 24.456 8.001 6.647) 26.576 44.585 ( -9.671 0.910 -22.596) 24.595 ======================= Grid point 31 (23/189) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 12.486 11.744 -1.030) 17.172 2.582 ( 8.610 7.796 6.393) 13.258 2.641 ( 4.341 -3.891 -4.654) 7.459 2.990 ( -13.978 -10.986 2.416) 17.942 3.443 ( 10.535 7.660 4.333) 13.727 3.561 ( -1.785 3.617 -4.895) 6.342 4.093 ( 3.150 -5.393 8.939) 10.905 4.166 ( -15.001 -0.375 -6.491) 16.349 5.394 ( -4.275 1.039 -11.861) 12.650 5.517 ( 0.082 6.114 11.695) 13.197 6.001 ( 9.707 2.647 0.580) 10.078 6.182 ( -1.262 1.780 -3.781) 4.366 7.995 ( 5.864 -2.386 1.805) 6.583 8.322 ( -6.538 -4.904 9.224) 12.324 8.799 ( -7.373 3.451 -9.718) 12.677 8.861 ( -2.103 7.395 9.522) 12.238 9.781 ( 9.562 0.927 -2.002) 9.813 10.016 ( -1.844 -5.727 -2.867) 6.664 20.400 ( -0.912 2.176 -0.362) 2.387 20.477 ( 2.262 -0.800 -0.717) 2.504 20.504 ( -2.903 -1.747 0.422) 3.414 20.595 ( -0.257 -3.970 0.261) 3.987 24.294 ( 0.814 0.522 0.503) 1.090 24.320 ( -0.645 -0.270 -0.333) 0.774 32.094 ( 0.966 1.111 0.351) 1.514 32.140 ( -1.241 0.001 -0.925) 1.548 42.084 ( 3.898 6.356 -4.474) 8.696 42.328 ( -0.151 2.004 4.988) 5.378 43.867 ( 21.864 5.568 5.362) 23.190 44.298 ( -10.668 -2.503 -16.053) 19.436 ======================= Grid point 32 (24/189) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 7.163 -1.126 -9.623) 12.049 2.566 ( -13.030 -4.420 -4.327) 14.424 2.693 ( -1.005 -5.040 3.824) 6.406 2.824 ( 8.221 0.811 10.075) 13.029 3.518 ( -1.666 -0.948 -6.243) 6.531 3.693 ( 7.940 3.627 5.484) 10.309 3.847 ( -16.050 2.957 -8.061) 18.202 4.252 ( 6.278 6.576 13.645) 16.396 5.242 ( -7.120 2.255 -13.928) 15.804 5.613 ( -0.878 4.714 8.009) 9.335 6.043 ( -2.881 -0.533 -6.989) 7.579 6.254 ( 5.909 0.337 7.105) 9.248 8.070 ( 5.018 -4.985 0.471) 7.089 8.194 ( -6.054 -4.375 5.160) 9.078 8.582 ( -9.247 2.417 -12.743) 15.929 9.067 ( 3.647 9.615 15.312) 18.444 9.865 ( 1.041 -5.445 -5.859) 8.066 9.958 ( 3.524 -0.952 0.117) 3.652 20.418 ( 0.027 1.259 -0.836) 1.512 20.442 ( -1.109 0.579 0.673) 1.421 20.531 ( 2.978 -0.932 -0.521) 3.164 20.549 ( -0.399 -3.042 0.568) 3.120 24.302 ( -0.910 -0.305 -0.358) 1.024 24.314 ( 0.731 0.393 0.352) 0.902 32.112 ( -1.516 -0.046 -0.526) 1.605 32.128 ( 1.286 1.311 0.488) 1.900 42.116 ( -2.589 4.274 -7.127) 8.704 42.382 ( 0.560 0.431 9.155) 9.182 43.910 ( -11.992 -4.543 -17.307) 21.540 44.366 ( 18.282 3.393 10.576) 21.391 ======================= Grid point 33 (25/189) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -19.555 -9.248 -1.901) 21.714 2.368 ( -3.621 -7.726 -6.033) 10.449 2.713 ( 1.321 -1.309 0.429) 1.908 3.068 ( 11.541 3.483 6.051) 13.488 3.409 ( -5.864 -3.601 -2.284) 7.250 3.654 ( -8.421 7.429 -3.312) 11.708 3.846 ( 6.282 0.170 1.437) 6.446 4.461 ( -1.648 6.721 9.833) 12.024 5.089 ( -5.382 5.152 -12.977) 14.964 5.663 ( -0.888 2.230 4.156) 4.799 5.924 ( -3.467 -5.966 -3.246) 7.625 6.358 ( 1.312 0.918 5.472) 5.701 7.964 ( -6.619 -5.885 -1.074) 8.922 8.212 ( 6.835 -0.160 -1.910) 7.099 8.460 ( -4.499 4.433 -2.803) 6.911 9.256 ( -0.038 5.857 11.800) 13.173 9.725 ( -4.617 -7.115 -5.244) 9.971 10.055 ( 7.414 0.135 -0.490) 7.432 20.407 ( -0.848 1.743 0.046) 1.939 20.489 ( 2.855 2.233 -0.390) 3.645 20.505 ( -0.095 -2.720 0.926) 2.875 20.582 ( 3.212 -1.676 -0.545) 3.664 24.281 ( -1.111 -0.274 -0.307) 1.185 24.329 ( 0.505 0.219 0.207) 0.589 32.086 ( -1.249 -0.027 -0.202) 1.265 32.164 ( 1.170 1.025 0.499) 1.634 42.028 ( -6.201 0.380 -4.953) 7.945 42.427 ( -2.356 1.934 7.894) 8.462 43.535 ( -16.083 -6.390 -12.951) 21.615 44.751 ( 16.980 2.818 9.343) 19.585 ======================= Grid point 34 (26/189) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -20.920 -7.096 -0.641) 22.100 2.161 ( -13.040 -2.784 -1.502) 13.418 2.734 ( 4.297 -2.099 -0.161) 4.785 3.243 ( -7.823 -0.162 -0.090) 7.825 3.277 ( 3.745 1.174 2.392) 4.597 3.690 ( 5.402 6.975 1.321) 8.921 3.940 ( 7.564 -3.972 -1.800) 8.731 4.305 ( -23.046 0.353 -0.237) 23.050 5.071 ( 0.066 7.918 -6.069) 9.977 5.674 ( -0.249 -2.084 2.333) 3.138 5.788 ( -3.979 -6.145 -0.376) 7.330 6.368 ( -3.636 0.770 2.414) 4.432 7.820 ( -4.385 -2.908 -0.940) 5.345 8.355 ( 10.280 3.197 -4.111) 11.524 8.455 ( -2.172 3.491 2.582) 4.855 9.269 ( -7.938 1.658 6.068) 10.129 9.550 ( -4.983 -6.004 -3.413) 8.516 10.214 ( 10.886 0.892 0.263) 10.926 20.432 ( 0.386 3.855 0.483) 3.905 20.500 ( 1.820 -2.648 0.952) 3.351 20.558 ( 3.326 1.023 -0.804) 3.572 20.606 ( 2.556 -1.855 -0.569) 3.209 24.258 ( -1.208 -0.170 -0.199) 1.236 24.337 ( 0.239 0.073 0.076) 0.261 32.071 ( -0.420 0.040 -0.036) 0.423 32.190 ( 0.742 0.467 0.333) 0.938 41.883 ( -7.688 -1.270 -2.428) 8.162 42.410 ( -6.493 2.582 5.150) 8.680 43.128 ( -18.643 -5.588 -7.646) 20.910 45.080 ( 14.556 1.831 6.414) 16.011 ======================= Grid point 35 (27/189) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -21.464 -0.000 0.000) 21.464 1.850 ( -22.015 -0.000 0.000) 22.015 2.807 ( 4.101 0.000 -0.000) 4.101 3.114 ( -4.805 -0.000 0.000) 4.805 3.286 ( -6.496 -0.000 0.000) 6.496 3.793 ( -30.418 -0.000 0.000) 30.418 3.946 ( 14.185 0.000 -0.000) 14.185 4.027 ( 8.026 0.000 -0.000) 8.026 5.113 ( 0.294 0.000 -0.000) 0.294 5.564 ( -9.228 -0.000 0.000) 9.228 5.759 ( 2.701 0.000 -0.000) 2.701 6.274 ( -8.823 -0.000 0.000) 8.823 7.749 ( -2.180 -0.000 0.000) 2.180 8.417 ( -7.118 -0.000 0.000) 7.118 8.557 ( 12.095 0.000 -0.000) 12.095 9.125 ( -10.608 -0.000 0.000) 10.608 9.455 ( -0.442 -0.000 0.000) 0.442 10.420 ( 12.334 0.000 -0.000) 12.334 20.487 ( 1.208 0.000 -0.000) 1.208 20.507 ( 1.867 0.000 -0.000) 1.867 20.607 ( 2.914 0.000 -0.000) 2.914 20.650 ( 3.496 0.000 -0.000) 3.496 24.236 ( -1.180 -0.000 0.000) 1.180 24.340 ( 0.029 0.000 -0.000) 0.029 32.073 ( 0.659 0.000 -0.000) 0.659 32.201 ( 0.306 0.000 -0.000) 0.306 41.739 ( -7.320 -0.000 0.000) 7.320 42.301 ( -10.065 -0.000 0.000) 10.065 42.749 ( -19.844 -0.000 0.000) 19.844 45.332 ( 11.998 0.000 -0.000) 11.998 ======================= Grid point 40 (28/189) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -0.000 24.350 0.493) 24.355 1.922 ( -0.000 20.495 15.707) 25.821 2.586 ( -0.000 2.348 2.038) 3.109 3.088 ( 0.000 -9.792 -8.015) 12.655 3.393 ( -0.000 10.706 -0.679) 10.728 3.479 ( -0.000 14.622 10.470) 17.984 4.053 ( 0.000 -17.113 0.991) 17.142 4.411 ( -0.000 -3.481 6.776) 7.618 4.641 ( -0.000 4.980 6.614) 8.280 5.653 ( 0.000 -4.285 -7.353) 8.511 5.677 ( 0.000 3.546 -11.826) 12.346 6.069 ( -0.000 21.617 0.967) 21.639 7.946 ( 0.000 -3.665 -1.448) 3.940 8.219 ( -0.000 10.264 11.983) 15.777 8.669 ( 0.000 -0.472 -1.169) 1.260 9.050 ( -0.000 15.244 0.142) 15.245 9.715 ( -0.000 -10.213 4.539) 11.176 10.455 ( 0.000 -13.105 -4.847) 13.973 20.465 ( -0.000 -2.800 2.561) 3.794 20.557 ( 0.000 -0.343 -3.686) 3.702 20.587 ( 0.000 -2.379 -2.181) 3.227 20.689 ( -0.000 -2.946 1.687) 3.395 24.251 ( -0.000 -0.141 1.455) 1.462 24.341 ( -0.000 -0.061 0.060) 0.086 32.084 ( 0.000 -1.221 0.137) 1.229 32.172 ( 0.000 -0.008 -1.510) 1.510 41.592 ( -0.000 5.237 -0.947) 5.322 42.242 ( 0.000 13.112 -11.130) 17.199 42.371 ( -0.000 14.454 7.136) 16.120 44.961 ( 0.000 11.042 -30.439) 32.380 ======================= Grid point 41 (29/189) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 1.921 20.601 2.650) 20.859 2.097 ( -5.183 17.365 10.205) 20.798 2.643 ( 1.675 -0.876 -1.527) 2.430 2.935 ( 2.799 -7.013 -7.725) 10.802 3.448 ( 0.825 -0.427 3.497) 3.618 3.682 ( -2.898 8.780 -0.293) 9.251 3.961 ( 4.752 -10.620 4.187) 12.365 4.405 ( -1.443 8.634 10.671) 13.802 4.868 ( 12.984 -0.219 5.997) 14.304 5.573 ( -0.395 -0.715 -7.770) 7.812 5.647 ( 1.140 1.298 -8.800) 8.968 6.257 ( -1.751 17.199 -0.489) 17.295 7.871 ( -0.146 -7.039 1.134) 7.131 8.397 ( 0.531 7.116 10.934) 13.057 8.729 ( 4.529 6.321 0.715) 7.808 9.231 ( 3.815 11.780 0.162) 12.383 9.528 ( -11.613 -7.072 2.101) 13.758 10.276 ( -2.370 -12.945 -5.936) 14.437 20.456 ( 0.154 -3.017 0.859) 3.141 20.519 ( -0.046 -1.460 -1.796) 2.315 20.553 ( -1.366 -0.598 -1.562) 2.160 20.665 ( -0.733 -2.881 1.235) 3.219 24.258 ( 0.177 0.162 1.018) 1.046 24.340 ( -0.091 -0.108 -0.057) 0.153 32.074 ( -0.114 -0.596 0.151) 0.625 32.166 ( 0.168 -0.006 -1.436) 1.446 41.687 ( 5.054 5.365 0.631) 7.398 42.300 ( -0.370 11.030 -9.323) 14.447 42.666 ( 13.414 13.197 5.943) 19.734 44.858 ( -5.228 5.984 -24.548) 25.802 ======================= Grid point 42 (30/189) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 0.026 17.718 5.833) 18.653 2.258 ( 6.148 5.123 4.641) 9.251 2.594 ( -2.688 3.908 -5.763) 7.464 3.038 ( 13.353 -0.447 -0.325) 13.365 3.392 ( -7.427 -5.578 2.395) 9.593 3.671 ( -2.504 6.740 0.643) 7.219 3.923 ( 2.053 -12.172 2.304) 12.557 4.527 ( -5.491 9.239 0.408) 10.755 5.121 ( 16.926 -4.188 7.364) 18.928 5.566 ( -1.513 6.352 -4.053) 7.686 5.673 ( 7.408 -0.934 -4.991) 8.981 6.333 ( -5.652 13.123 -1.933) 14.419 7.836 ( 3.804 -8.070 1.657) 9.075 8.485 ( -3.363 5.095 11.840) 13.321 8.886 ( 3.770 6.371 1.582) 7.570 9.188 ( -15.562 -0.148 1.761) 15.662 9.473 ( 6.891 5.443 -2.593) 9.156 10.086 ( -2.403 -10.411 -5.822) 12.168 20.427 ( 0.247 -2.193 -0.792) 2.345 20.485 ( -3.140 1.299 -1.075) 3.564 20.542 ( 1.995 -2.961 0.372) 3.589 20.617 ( -2.158 -2.761 0.670) 3.567 24.271 ( 0.487 0.375 0.671) 0.910 24.335 ( -0.259 -0.150 -0.177) 0.347 32.073 ( 0.277 0.168 0.182) 0.372 32.161 ( -0.001 0.055 -1.235) 1.237 41.858 ( 7.764 5.319 1.940) 9.609 42.343 ( -0.408 7.457 -6.984) 10.225 43.099 ( 20.289 10.040 5.627) 23.326 44.657 ( -9.388 1.795 -19.562) 21.773 ======================= Grid point 43 (31/189) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 2.071 15.419 2.150) 15.705 2.413 ( 10.457 -5.649 1.857) 12.030 2.624 ( 1.379 5.978 0.320) 6.143 3.153 ( -13.948 -6.900 1.710) 15.655 3.314 ( 14.816 4.950 3.454) 15.998 3.679 ( -7.029 6.586 -0.359) 9.639 3.911 ( 10.504 -10.059 2.868) 14.823 4.376 ( -13.487 2.085 -9.029) 16.364 5.352 ( 7.195 -1.540 1.553) 7.520 5.567 ( 0.103 0.942 0.094) 0.952 5.856 ( 12.348 4.495 1.392) 13.215 6.310 ( -8.516 9.264 -2.578) 12.845 7.854 ( 6.356 -7.447 0.972) 9.839 8.489 ( -8.381 0.509 14.306) 16.588 8.899 ( -8.411 3.288 -15.210) 17.689 9.042 ( -3.345 5.615 14.706) 16.093 9.625 ( 8.014 1.975 -4.259) 9.287 9.956 ( -0.181 -6.470 -3.876) 7.545 20.422 ( 1.140 -1.266 -0.412) 1.752 20.452 ( -1.610 1.913 -0.749) 2.610 20.530 ( -1.250 -2.480 0.510) 2.824 20.562 ( -0.711 -2.794 0.215) 2.891 24.288 ( 0.722 0.411 0.439) 0.939 24.326 ( -0.493 -0.178 -0.243) 0.578 32.089 ( 0.915 0.752 0.242) 1.209 32.152 ( -0.576 0.076 -0.905) 1.076 42.050 ( 6.827 6.041 1.334) 9.212 42.357 ( -0.393 2.549 -3.245) 4.145 43.574 ( 22.371 6.982 4.936) 23.950 44.389 ( -11.683 -1.462 -14.728) 18.856 ======================= Grid point 44 (32/189) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -0.407 4.192 -5.038) 6.566 2.552 ( 9.057 0.568 0.337) 9.081 2.738 ( 6.568 0.093 6.364) 9.146 2.823 ( -17.595 -7.138 0.964) 19.012 3.536 ( -0.999 0.643 -2.469) 2.740 3.657 ( 3.385 5.211 7.745) 9.929 4.095 ( -7.345 3.555 -5.148) 9.648 4.117 ( 10.108 -1.931 -0.830) 10.324 5.326 ( -6.364 2.632 -7.045) 9.852 5.624 ( 5.252 -3.555 4.586) 7.827 6.105 ( 4.920 6.461 1.457) 8.250 6.218 ( -5.102 2.672 -0.095) 5.760 7.912 ( 7.495 -5.448 0.335) 9.272 8.357 ( -12.689 -3.275 10.365) 16.708 8.688 ( -8.659 2.567 -13.341) 16.110 9.194 ( 1.833 9.029 14.715) 17.361 9.713 ( 6.055 -3.699 -7.880) 10.604 9.908 ( 1.270 -2.549 -0.707) 2.935 20.428 ( 0.148 0.970 -0.249) 1.012 20.453 ( 0.153 -0.769 -0.446) 0.903 20.493 ( -0.149 -0.057 0.318) 0.356 20.531 ( -0.415 -2.664 0.208) 2.704 24.306 ( 0.777 0.308 0.271) 0.878 24.313 ( -0.754 -0.174 -0.230) 0.807 32.119 ( 1.361 0.909 0.267) 1.659 32.134 ( -1.189 0.048 -0.505) 1.293 42.173 ( -0.616 6.313 -2.962) 7.001 42.374 ( 3.298 -1.538 3.298) 4.911 43.960 ( 4.089 4.251 -5.458) 8.037 44.155 ( 4.243 -3.125 -0.770) 5.325 ======================= Grid point 45 (33/189) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -2.090 -2.650 -4.233) 5.414 2.436 ( -20.407 -4.035 -0.793) 20.817 2.686 ( 3.913 0.056 0.765) 3.988 2.921 ( 11.053 0.758 3.900) 11.745 3.449 ( -4.482 -1.033 -1.959) 4.999 3.783 ( 2.754 0.074 4.557) 5.325 3.876 ( -11.689 4.396 -4.362) 13.228 4.447 ( 15.366 2.961 4.269) 16.220 5.183 ( -8.345 2.310 -6.255) 10.682 5.687 ( 2.543 -1.678 2.874) 4.188 6.003 ( -11.063 1.348 -2.431) 11.407 6.329 ( 5.859 0.901 3.085) 6.682 7.980 ( 3.041 -3.134 0.154) 4.369 8.164 ( -6.936 -1.761 1.139) 7.247 8.551 ( -5.145 2.011 -3.814) 6.712 9.380 ( 0.780 7.791 11.764) 14.132 9.664 ( 0.446 -6.861 -8.335) 10.805 9.947 ( 4.666 -0.313 -0.131) 4.678 20.426 ( -0.450 0.591 -0.401) 0.844 20.470 ( 1.930 1.027 0.295) 2.206 20.492 ( -0.601 -1.659 0.103) 1.767 20.522 ( 1.903 -0.787 -0.029) 2.060 24.296 ( -0.991 -0.118 -0.143) 1.008 24.322 ( 0.661 0.145 0.125) 0.688 32.109 ( -1.485 0.010 -0.187) 1.496 32.152 ( 1.431 0.592 0.215) 1.564 42.127 ( -6.264 1.770 -2.561) 6.995 42.458 ( 3.531 0.202 3.766) 5.166 43.716 ( -16.193 -1.897 -6.809) 17.669 44.483 ( 20.656 1.005 3.785) 21.024 ======================= Grid point 46 (34/189) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( -21.145 -0.000 0.000) 21.145 2.252 ( -2.368 -0.000 0.000) 2.368 2.705 ( -0.648 -0.000 0.000) 0.648 3.136 ( 11.908 0.000 -0.000) 11.908 3.359 ( -5.456 -0.000 0.000) 5.456 3.736 ( -5.784 -0.000 0.000) 5.784 3.836 ( 3.040 0.000 -0.000) 3.040 4.583 ( -5.720 -0.000 0.000) 5.720 5.080 ( -1.541 -0.000 0.000) 1.541 5.694 ( -1.528 -0.000 0.000) 1.528 5.846 ( -6.523 -0.000 0.000) 6.523 6.399 ( 1.107 0.000 -0.000) 1.107 7.898 ( -6.752 -0.000 0.000) 6.752 8.199 ( 7.904 0.000 -0.000) 7.904 8.499 ( -1.718 -0.000 0.000) 1.718 9.421 ( -5.378 -0.000 0.000) 5.378 9.576 ( -2.631 -0.000 0.000) 2.631 10.053 ( 8.288 0.000 -0.000) 8.288 20.439 ( 1.410 0.000 -0.000) 1.410 20.472 ( -0.429 -0.000 0.000) 0.429 20.518 ( 2.505 0.000 -0.000) 2.505 20.550 ( 2.374 0.000 -0.000) 2.374 24.276 ( -1.156 -0.000 0.000) 1.156 24.332 ( 0.449 0.000 -0.000) 0.449 32.085 ( -1.192 -0.000 0.000) 1.192 32.178 ( 1.130 0.000 -0.000) 1.130 42.005 ( -7.804 -0.000 0.000) 7.804 42.497 ( -0.891 -0.000 0.000) 0.891 43.394 ( -18.155 -0.000 0.000) 18.155 44.827 ( 18.136 0.000 -0.000) 18.136 ======================= Grid point 53 (35/189) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -0.000 17.240 -3.528) 17.597 2.341 ( -0.000 5.213 6.349) 8.215 2.614 ( -0.000 1.361 3.616) 3.864 2.759 ( 0.000 -7.421 -11.448) 13.642 3.458 ( -0.000 -0.484 3.608) 3.640 3.803 ( -0.000 -12.403 6.348) 13.933 3.909 ( -0.000 17.534 1.982) 17.646 4.469 ( -0.000 1.013 9.568) 9.621 4.869 ( -0.000 7.351 5.370) 9.104 5.476 ( 0.000 -5.088 -8.714) 10.090 5.620 ( 0.000 4.100 -8.831) 9.736 6.447 ( -0.000 15.581 1.247) 15.631 7.759 ( 0.000 -13.220 0.747) 13.241 8.570 ( -0.000 11.191 14.507) 18.322 8.756 ( -0.000 8.204 -0.146) 8.205 9.311 ( -0.000 12.045 -1.533) 12.143 9.570 ( 0.000 -8.069 2.285) 8.387 10.127 ( 0.000 -13.743 -7.436) 15.625 20.442 ( -0.000 -2.135 2.338) 3.166 20.465 ( 0.000 -3.471 -2.499) 4.276 20.569 ( 0.000 0.848 -2.384) 2.531 20.654 ( -0.000 -2.257 1.498) 2.709 24.263 ( -0.000 0.169 0.803) 0.821 24.339 ( 0.000 -0.113 -0.102) 0.152 32.071 ( -0.000 -0.334 0.159) 0.370 32.156 ( 0.000 -0.102 -1.264) 1.268 41.697 ( -0.000 5.188 0.891) 5.264 42.349 ( 0.000 9.802 -11.209) 14.890 42.724 ( -0.000 13.394 7.708) 15.453 44.834 ( 0.000 3.251 -20.547) 20.802 ======================= Grid point 54 (36/189) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 4.206 7.682 -3.881) 9.580 2.278 ( -1.702 -2.454 -2.349) 3.799 2.688 ( -3.177 4.787 -0.587) 5.775 2.786 ( 12.323 1.478 2.681) 12.698 3.447 ( -2.447 -2.339 1.389) 3.659 3.719 ( -0.810 -7.297 6.286) 9.665 3.981 ( -8.754 9.646 2.921) 13.350 4.646 ( 4.687 6.585 3.990) 9.014 4.915 ( 4.230 -1.858 1.859) 4.980 5.468 ( 8.971 -3.416 -7.372) 12.104 5.634 ( -1.119 6.697 -2.820) 7.352 6.549 ( -4.352 11.794 0.705) 12.591 7.668 ( 3.787 -12.327 1.244) 12.955 8.696 ( -4.824 9.374 12.444) 16.309 8.894 ( 4.431 8.513 1.644) 9.737 9.396 ( -7.924 -1.176 2.084) 8.278 9.446 ( 0.268 3.799 -3.040) 4.873 9.961 ( 0.296 -11.813 -7.384) 13.934 20.406 ( -0.709 -2.195 -0.613) 2.386 20.468 ( 2.427 -2.220 0.553) 3.336 20.545 ( -2.063 0.726 -1.634) 2.730 20.630 ( -1.403 -1.864 0.990) 2.534 24.270 ( 0.272 0.241 0.549) 0.658 24.336 ( -0.136 -0.111 -0.149) 0.230 32.071 ( 0.189 0.061 0.151) 0.249 32.152 ( 0.282 -0.065 -1.015) 1.056 41.799 ( 5.548 4.309 1.966) 7.294 42.376 ( -0.371 7.090 -9.351) 11.741 42.973 ( 10.435 10.825 6.806) 16.505 44.708 ( -5.764 0.645 -16.203) 17.210 ======================= Grid point 55 (37/189) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 8.149 -6.066 -1.071) 10.215 2.362 ( 4.435 10.803 -2.000) 11.848 2.678 ( -2.886 1.876 2.090) 4.027 3.081 ( 17.899 4.274 3.095) 18.661 3.325 ( -9.881 -2.261 0.670) 10.158 3.691 ( 3.454 -9.485 2.252) 10.343 3.912 ( -10.766 8.402 4.427) 14.356 4.555 ( -11.252 1.611 -10.430) 15.426 5.156 ( 15.724 -1.618 8.525) 17.960 5.547 ( 3.833 -1.568 -7.129) 8.244 5.719 ( 7.005 5.971 1.827) 9.384 6.542 ( -8.077 8.148 -0.051) 11.474 7.661 ( 6.823 -8.882 0.793) 11.229 8.730 ( -7.540 4.558 13.168) 15.843 8.997 ( -4.674 6.704 -7.266) 10.936 9.206 ( -6.232 -1.432 8.747) 10.835 9.523 ( 3.519 2.478 -5.981) 7.369 9.857 ( 1.999 -6.485 -4.403) 8.090 20.387 ( 0.810 -1.203 -0.403) 1.505 20.485 ( 0.892 -0.962 0.015) 1.312 20.510 ( -1.481 -0.050 -0.443) 1.546 20.582 ( -2.680 -1.451 0.463) 3.083 24.282 ( 0.560 0.251 0.328) 0.696 24.331 ( -0.327 -0.101 -0.157) 0.377 32.081 ( 0.723 0.361 0.141) 0.820 32.152 ( 0.120 0.011 -0.691) 0.702 41.974 ( 8.819 3.547 2.927) 9.946 42.373 ( -1.330 3.479 -6.717) 7.681 43.330 ( 17.379 7.075 5.196) 19.470 44.497 ( -10.249 -1.106 -11.452) 15.408 ======================= Grid point 56 (38/189) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 9.507 -2.913 -0.595) 9.961 2.517 ( 0.383 11.418 -2.657) 11.729 2.653 ( 2.498 -5.883 4.806) 7.997 3.082 ( -16.654 -1.768 0.627) 16.759 3.482 ( 14.662 8.813 2.695) 17.318 3.678 ( 8.940 -8.943 1.591) 12.745 3.844 ( -3.795 1.347 0.408) 4.048 4.319 ( -12.537 1.989 -7.112) 14.550 5.385 ( 6.288 1.549 3.938) 7.579 5.496 ( -0.264 -3.471 -4.030) 5.325 5.972 ( 13.800 3.231 1.920) 14.302 6.436 ( -11.462 4.056 -0.432) 12.166 7.728 ( 8.373 -4.327 0.224) 9.428 8.643 ( -14.848 -1.236 15.221) 21.300 8.792 ( -9.970 2.727 -15.550) 18.672 9.305 ( 3.139 5.834 13.371) 14.922 9.541 ( 4.040 -3.256 -9.879) 11.159 9.848 ( 2.714 -1.787 -0.968) 3.391 20.402 ( 1.850 -0.488 -0.073) 1.914 20.472 ( -1.780 0.822 -0.578) 2.044 20.498 ( 0.311 -1.213 0.416) 1.319 20.529 ( -2.087 -0.781 0.109) 2.231 24.297 ( 0.740 0.156 0.150) 0.771 24.322 ( -0.558 -0.070 -0.106) 0.572 32.103 ( 1.293 0.371 0.109) 1.350 32.146 ( -0.507 0.028 -0.325) 0.602 42.175 ( 8.381 3.820 2.708) 9.601 42.329 ( -1.978 -0.804 -3.695) 4.268 43.730 ( 21.000 3.858 3.014) 21.563 44.237 ( -13.141 -2.033 -6.202) 14.673 ======================= Grid point 57 (39/189) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( -3.331 -0.000 0.000) 3.331 2.588 ( 6.301 0.000 -0.000) 6.301 2.759 ( -20.034 -0.000 0.000) 20.034 2.760 ( 9.350 0.000 -0.000) 9.350 3.526 ( -4.807 -0.000 0.000) 4.807 3.776 ( -0.653 -0.000 0.000) 0.653 4.063 ( 11.749 0.000 -0.000) 11.749 4.119 ( 2.610 0.000 -0.000) 2.610 5.328 ( -8.573 -0.000 0.000) 8.573 5.586 ( 8.246 0.000 -0.000) 8.246 6.204 ( 10.563 0.000 -0.000) 10.563 6.235 ( -14.061 -0.000 0.000) 14.061 7.852 ( 8.350 0.000 -0.000) 8.350 8.380 ( -16.785 -0.000 0.000) 16.785 8.645 ( -6.289 -0.000 0.000) 6.289 9.478 ( 0.640 0.000 -0.000) 0.640 9.511 ( 5.800 0.000 -0.000) 5.800 9.886 ( 2.817 0.000 -0.000) 2.817 20.435 ( 2.351 0.000 -0.000) 2.351 20.443 ( -1.563 -0.000 0.000) 1.563 20.495 ( -0.387 -0.000 0.000) 0.387 20.505 ( -0.149 -0.000 0.000) 0.149 24.310 ( -0.747 -0.000 0.000) 0.747 24.311 ( 0.717 0.000 -0.000) 0.717 32.129 ( 0.755 0.000 -0.000) 0.755 32.132 ( -0.389 -0.000 0.000) 0.389 42.232 ( -5.447 -0.000 0.000) 5.447 42.364 ( 8.138 0.000 -0.000) 8.138 43.961 ( -15.581 -0.000 0.000) 15.581 44.130 ( 22.452 0.000 -0.000) 22.452 ======================= Grid point 66 (40/189) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 0.000 -12.459 -10.402) 16.231 2.135 ( 0.000 5.010 -5.459) 7.410 2.769 ( -0.000 3.351 2.899) 4.431 2.771 ( -0.000 7.307 6.812) 9.990 3.446 ( 0.000 -2.307 -0.224) 2.317 3.695 ( -0.000 -4.948 4.534) 6.711 4.244 ( -0.000 13.070 6.692) 14.683 4.632 ( -0.000 4.168 10.187) 11.007 4.881 ( 0.000 -3.716 -8.485) 9.263 5.285 ( 0.000 -4.855 -8.716) 9.977 5.712 ( -0.000 7.321 1.032) 7.393 6.687 ( -0.000 7.927 0.843) 7.971 7.526 ( 0.000 -10.397 1.331) 10.482 8.913 ( -0.000 7.221 -0.922) 7.280 8.930 ( -0.000 10.045 14.356) 17.521 9.459 ( -0.000 -5.165 1.650) 5.422 9.467 ( 0.000 6.058 -3.795) 7.149 9.794 ( 0.000 -11.276 -7.738) 13.676 20.391 ( 0.000 -2.012 -1.282) 2.386 20.430 ( -0.000 -1.145 1.400) 1.808 20.560 ( 0.000 0.395 -1.476) 1.528 20.634 ( -0.000 -1.140 0.885) 1.444 24.272 ( -0.000 0.167 0.369) 0.405 24.336 ( 0.000 -0.075 -0.121) 0.143 32.071 ( -0.000 0.097 0.115) 0.151 32.144 ( 0.000 -0.098 -0.713) 0.719 41.793 ( -0.000 3.057 1.432) 3.375 42.397 ( 0.000 5.194 -7.331) 8.984 43.018 ( -0.000 8.690 5.873) 10.488 44.686 ( 0.000 -0.499 -11.815) 11.825 ======================= Grid point 67 (41/189) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 4.659 -5.694 -3.601) 8.191 2.247 ( 10.556 2.024 -4.231) 11.551 2.771 ( -3.416 1.556 2.168) 4.335 2.925 ( 7.436 4.318 3.817) 9.408 3.407 ( -2.153 -1.563 -0.789) 2.774 3.650 ( -3.024 -3.226 2.209) 4.943 4.236 ( -13.863 7.854 6.740) 17.300 4.671 ( -8.046 -1.056 -8.598) 11.823 4.920 ( 15.235 -0.152 6.333) 16.499 5.326 ( 12.010 -2.486 -5.746) 13.544 5.761 ( -1.642 4.096 1.219) 4.578 6.710 ( -4.495 4.046 0.349) 6.058 7.492 ( 4.563 -5.584 0.688) 7.244 8.920 ( -4.533 3.779 2.983) 6.612 9.111 ( 0.954 8.884 7.737) 11.819 9.320 ( -9.333 -5.185 -0.559) 10.691 9.481 ( 0.434 0.617 -5.277) 5.331 9.725 ( 4.394 -4.532 -3.004) 6.991 20.369 ( 0.001 -0.832 -0.410) 0.927 20.445 ( 1.793 -0.772 0.468) 2.008 20.543 ( -1.613 0.249 -0.664) 1.762 20.614 ( -1.780 -0.620 0.393) 1.925 24.278 ( 0.314 0.107 0.176) 0.376 24.334 ( -0.162 -0.043 -0.076) 0.184 32.075 ( 0.348 0.123 0.065) 0.375 32.144 ( 0.362 -0.036 -0.365) 0.515 41.876 ( 6.202 1.592 1.217) 6.518 42.396 ( -1.097 2.450 -4.028) 4.841 43.186 ( 9.161 4.515 3.352) 10.749 44.581 ( -5.946 -0.738 -6.289) 8.686 ======================= Grid point 68 (42/189) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 10.117 0.000 -0.000) 10.117 2.449 ( 11.429 0.000 -0.000) 11.429 2.701 ( -6.292 -0.000 0.000) 6.292 3.177 ( 19.724 0.000 -0.000) 19.724 3.309 ( -9.712 -0.000 0.000) 9.712 3.582 ( -1.845 -0.000 0.000) 1.845 4.048 ( -13.822 -0.000 0.000) 13.822 4.490 ( -9.570 -0.000 0.000) 9.570 5.192 ( 14.416 0.000 -0.000) 14.416 5.486 ( 5.455 0.000 -0.000) 5.455 5.796 ( 6.257 0.000 -0.000) 6.257 6.623 ( -8.248 -0.000 0.000) 8.248 7.570 ( 7.451 0.000 -0.000) 7.451 8.860 ( -5.849 -0.000 0.000) 5.849 9.002 ( -17.724 -0.000 0.000) 17.724 9.291 ( 5.904 0.000 -0.000) 5.904 9.463 ( -0.063 -0.000 0.000) 0.063 9.777 ( 4.203 0.000 -0.000) 4.203 20.374 ( 1.072 0.000 -0.000) 1.072 20.473 ( 1.651 0.000 -0.000) 1.651 20.510 ( -2.139 -0.000 0.000) 2.139 20.571 ( -2.842 -0.000 0.000) 2.842 24.286 ( 0.584 0.000 -0.000) 0.584 24.329 ( -0.353 -0.000 0.000) 0.353 32.086 ( 0.885 0.000 -0.000) 0.885 32.148 ( 0.171 0.000 -0.000) 0.171 42.029 ( 10.018 0.000 -0.000) 10.018 42.366 ( -2.552 -0.000 0.000) 2.552 43.436 ( 16.613 0.000 -0.000) 16.613 44.418 ( -10.741 -0.000 0.000) 10.741 ======================= Grid point 81 (43/189) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( -0.000 0.000 0.000) 0.000 2.145 ( -0.000 0.000 0.000) 0.000 2.813 ( -0.000 0.000 0.000) 0.000 2.905 ( -0.000 0.000 0.000) 0.000 3.407 ( -0.000 0.000 0.000) 0.000 3.676 ( -0.000 0.000 0.000) 0.000 4.486 ( -0.000 0.000 0.000) 0.000 4.709 ( -0.000 0.000 0.000) 0.000 4.757 ( 0.000 -0.000 -0.000) 0.000 5.166 ( -0.000 0.000 0.000) 0.000 5.805 ( -0.000 0.000 0.000) 0.000 6.769 ( -0.000 0.000 0.000) 0.000 7.426 ( -0.000 0.000 0.000) 0.000 8.983 ( -0.000 -0.000 0.000) 0.000 9.172 ( -0.000 0.000 0.000) 0.000 9.415 ( -0.000 0.000 0.000) 0.000 9.440 ( -0.000 0.000 0.000) 0.000 9.641 ( -0.000 0.000 0.000) 0.000 20.364 ( -0.000 0.000 0.000) 0.000 20.426 ( -0.000 0.000 0.000) 0.000 20.556 ( -0.000 0.000 0.000) 0.000 20.627 ( -0.000 0.000 0.000) 0.000 24.276 ( -0.000 0.000 0.000) 0.000 24.335 ( -0.000 0.000 0.000) 0.000 32.073 ( -0.000 0.000 0.000) 0.000 32.139 ( -0.000 0.000 0.000) 0.000 41.832 ( -0.000 0.000 0.000) 0.000 42.408 ( -0.000 0.000 0.000) 0.000 43.140 ( -0.000 0.000 0.000) 0.000 44.612 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 162 (44/189) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( -0.000 -0.000 26.518) 26.518 0.411 ( -0.000 -0.000 26.518) 26.518 0.700 ( -0.000 -0.000 44.971) 44.971 3.296 ( 0.000 0.000 -1.410) 1.410 3.296 ( 0.000 0.000 -1.410) 1.410 4.536 ( 0.000 0.000 -4.948) 4.948 4.536 ( 0.000 0.000 -4.948) 4.948 4.650 ( -0.000 -0.000 3.172) 3.172 4.870 ( -0.000 -0.000 3.579) 3.579 4.870 ( -0.000 -0.000 3.579) 3.579 4.918 ( 0.000 0.000 -4.296) 4.296 5.893 ( 0.000 0.000 -2.676) 2.676 7.853 ( -0.000 -0.000 0.963) 0.963 7.853 ( -0.000 -0.000 0.963) 0.963 8.292 ( 0.000 0.000 -0.501) 0.501 8.292 ( 0.000 0.000 -0.501) 0.501 10.648 ( -0.000 -0.000 0.283) 0.283 10.940 ( 0.000 0.000 -1.106) 1.106 20.546 ( -0.000 -0.000 0.456) 0.456 20.546 ( -0.000 -0.000 0.456) 0.456 20.765 ( 0.000 0.000 -0.476) 0.476 20.765 ( 0.000 0.000 -0.476) 0.476 24.337 ( -0.000 -0.000 0.312) 0.312 24.473 ( 0.000 0.000 -0.309) 0.309 32.160 ( -0.000 -0.000 0.095) 0.095 32.199 ( 0.000 0.000 -0.087) 0.087 41.641 ( 0.000 0.000 0.112) 0.112 41.641 ( 0.000 0.000 0.112) 0.112 41.717 ( 0.000 0.000 -0.225) 0.225 41.717 ( 0.000 0.000 -0.225) 0.225 ======================= Grid point 163 (45/189) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 7.593 4.384 16.118) 18.348 0.594 ( 7.921 4.573 19.568) 21.600 1.614 ( 40.558 23.416 28.669) 54.911 3.187 ( -5.674 -3.276 -5.642) 8.647 3.196 ( -9.442 -5.452 20.085) 22.854 3.601 ( -13.861 -8.002 15.222) 22.088 4.311 ( -9.613 -5.550 -6.020) 12.627 4.817 ( -3.592 -2.074 -0.563) 4.185 4.864 ( 0.914 0.528 2.018) 2.277 5.181 ( 14.841 8.568 -1.111) 17.173 5.447 ( 18.657 10.771 -10.437) 23.938 5.864 ( -0.981 -0.567 -3.428) 3.610 7.802 ( -2.977 -1.719 0.182) 3.443 7.895 ( 3.287 1.898 1.373) 4.037 8.353 ( 7.753 4.476 -3.435) 9.588 8.840 ( 23.655 13.657 -17.065) 32.207 10.121 ( -30.131 -17.396 19.147) 39.713 10.877 ( -4.959 -2.863 -1.733) 5.983 20.509 ( -2.586 -1.493 -0.097) 2.988 20.580 ( 2.318 1.339 0.830) 2.803 20.718 ( -2.755 -1.590 -1.675) 3.595 20.796 ( 0.417 0.241 -0.773) 0.911 24.300 ( -5.781 -3.338 6.086) 9.033 24.339 ( 0.023 0.013 0.350) 0.351 32.146 ( -1.228 -0.709 0.105) 1.421 32.187 ( -0.259 -0.150 -0.871) 0.921 41.648 ( 1.472 0.850 3.635) 4.012 41.695 ( 1.659 0.958 -3.927) 4.369 41.973 ( 15.921 9.192 2.529) 18.558 43.845 ( 85.143 49.157 -99.840) 140.121 ======================= Grid point 164 (46/189) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 19.560 11.293 5.286) 23.196 0.968 ( 17.836 10.297 7.125) 21.792 2.525 ( 26.303 15.186 16.085) 34.368 3.005 ( -6.444 -3.720 -9.392) 11.982 3.284 ( 8.148 4.704 26.561) 28.178 3.505 ( -2.119 -1.223 2.214) 3.300 4.052 ( -11.075 -6.394 -5.083) 13.762 4.721 ( -5.524 -3.189 2.497) 6.850 4.906 ( 1.495 0.863 5.131) 5.414 5.479 ( 11.804 6.815 -7.212) 15.420 5.753 ( 13.017 7.516 -4.578) 15.713 5.834 ( 0.737 0.426 -2.795) 2.921 7.762 ( -0.041 -0.023 -0.195) 0.200 8.001 ( 5.030 2.904 2.337) 6.261 8.561 ( 11.894 6.867 -5.304) 14.723 9.128 ( 6.502 3.754 -2.009) 7.772 9.607 ( -20.579 -11.881 8.935) 25.387 10.706 ( -8.959 -5.172 -2.912) 10.747 20.441 ( -3.177 -1.834 -0.302) 3.681 20.633 ( -3.643 -2.103 -2.378) 4.832 20.643 ( 2.496 1.441 0.960) 3.038 20.777 ( -1.882 -1.087 0.249) 2.188 24.254 ( -1.274 -0.736 2.878) 3.232 24.341 ( -0.038 -0.022 0.238) 0.242 32.113 ( -1.638 -0.946 0.086) 1.893 32.178 ( -0.021 -0.012 -1.484) 1.484 41.743 ( 4.886 2.821 -6.683) 8.746 41.758 ( 5.513 3.183 6.855) 9.354 42.414 ( 21.032 12.143 5.669) 24.939 44.524 ( 24.915 14.385 -61.375) 67.783 ======================= Grid point 165 (47/189) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 22.582 13.038 0.577) 26.082 1.430 ( 20.808 12.014 2.357) 24.143 2.841 ( -2.635 -1.521 -10.515) 10.946 2.930 ( 8.772 5.064 8.606) 13.291 3.423 ( -5.088 -2.938 7.805) 9.769 3.768 ( -11.900 -6.870 -3.265) 14.123 3.823 ( 20.887 12.059 15.618) 28.734 4.591 ( -8.130 -4.694 6.002) 11.142 4.986 ( 2.710 1.565 7.108) 7.767 5.571 ( 1.392 0.804 -11.307) 11.421 5.905 ( 6.192 3.575 -4.283) 8.334 5.979 ( 8.646 4.991 -2.728) 10.349 7.805 ( 3.717 2.146 0.216) 4.297 8.136 ( 5.417 3.127 4.818) 7.895 8.788 ( 10.129 5.848 -7.425) 13.854 8.962 ( -19.581 -11.305 14.305) 26.756 9.509 ( 7.455 4.304 -3.989) 9.488 10.465 ( -10.323 -5.960 -3.962) 12.561 20.376 ( -2.237 -1.291 -0.193) 2.590 20.544 ( -2.793 -1.613 -2.373) 4.004 20.679 ( -0.750 -0.433 0.701) 1.114 20.727 ( -1.866 -1.077 0.616) 2.241 24.254 ( 0.127 0.073 1.507) 1.514 24.339 ( -0.186 -0.107 0.014) 0.215 32.081 ( -1.076 -0.621 0.100) 1.247 32.168 ( -0.190 -0.110 -1.613) 1.628 41.834 ( 6.527 3.768 -8.629) 11.457 41.944 ( 6.871 3.967 9.526) 12.397 42.949 ( 22.861 13.199 8.834) 27.836 44.582 ( 6.515 3.762 -42.348) 43.011 ======================= Grid point 166 (48/189) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 21.596 12.469 -3.013) 25.119 1.910 ( 21.035 12.144 0.907) 24.306 2.799 ( 2.644 1.527 -8.969) 9.474 3.138 ( 7.326 4.230 5.137) 9.897 3.317 ( -7.370 -4.255 6.584) 10.759 3.520 ( -7.997 -4.617 -0.343) 9.240 4.190 ( 4.190 2.419 5.392) 7.245 4.415 ( -11.056 -6.383 9.559) 15.949 5.109 ( 4.960 2.864 8.893) 10.577 5.488 ( -2.855 -1.649 -11.813) 12.264 6.005 ( 5.160 2.979 -7.921) 9.911 6.121 ( 5.150 2.973 0.529) 5.970 7.919 ( 5.777 3.335 1.217) 6.781 8.302 ( 6.262 3.616 8.058) 10.826 8.648 ( -13.159 -7.597 13.880) 20.579 8.880 ( 1.444 0.834 -11.520) 11.640 9.691 ( 8.877 5.125 -1.433) 10.349 10.237 ( -7.596 -4.385 -3.731) 9.531 20.344 ( -0.581 -0.335 -0.079) 0.675 20.497 ( -0.253 -0.146 -1.713) 1.738 20.606 ( -4.647 -2.683 0.499) 5.389 20.709 ( -1.147 -0.662 0.361) 1.373 24.271 ( 0.703 0.406 0.928) 1.232 24.332 ( -0.404 -0.233 -0.228) 0.519 32.070 ( 0.003 0.002 0.203) 0.203 32.152 ( -0.612 -0.354 -1.417) 1.584 41.933 ( 6.252 3.609 -9.696) 12.088 42.142 ( 5.557 3.208 11.463) 13.136 43.506 ( 21.725 12.543 11.447) 27.574 44.437 ( -1.468 -0.848 -33.142) 33.185 ======================= Grid point 167 (49/189) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 18.893 10.908 -5.974) 22.619 2.371 ( 19.254 11.116 1.774) 22.303 2.759 ( -4.511 -2.604 -8.401) 9.885 3.124 ( -10.816 -6.245 5.416) 13.613 3.350 ( 8.258 4.768 -0.371) 9.542 3.498 ( 6.212 3.586 1.875) 7.414 4.070 ( -13.140 -7.587 -0.928) 15.202 4.210 ( -12.067 -6.967 15.083) 20.534 5.288 ( 6.383 3.685 7.990) 10.870 5.330 ( -5.295 -3.057 -13.577) 14.891 6.055 ( 3.293 1.901 -8.753) 9.544 6.236 ( 3.656 2.111 5.762) 7.143 8.064 ( 6.111 3.528 2.365) 7.442 8.372 ( -5.437 -3.139 5.897) 8.613 8.643 ( 6.755 3.900 17.622) 19.271 8.725 ( -8.174 -4.719 -15.861) 18.457 9.870 ( 7.370 4.255 -1.026) 8.572 10.090 ( -4.526 -2.613 -3.197) 6.126 20.350 ( 1.261 0.728 -0.216) 1.473 20.502 ( -4.626 -2.671 0.365) 5.354 20.517 ( 2.421 1.398 -0.882) 2.931 20.666 ( -2.714 -1.567 0.209) 3.141 24.293 ( 0.855 0.494 0.650) 1.182 24.319 ( -0.654 -0.377 -0.405) 0.857 32.083 ( 1.020 0.589 0.387) 1.240 32.127 ( -1.025 -0.592 -1.013) 1.558 42.003 ( 4.280 2.471 -9.970) 11.128 42.296 ( 2.383 1.376 12.577) 12.874 44.026 ( 18.802 10.855 13.147) 25.381 44.192 ( -6.241 -3.603 -27.791) 28.710 ======================= Grid point 168 (50/189) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( -11.667 -6.736 -6.166) 14.816 2.617 ( 15.278 8.821 -8.536) 19.598 2.744 ( 4.397 2.539 4.983) 7.114 2.894 ( -4.349 -2.511 5.698) 7.595 3.446 ( -0.278 -0.161 -17.779) 17.782 3.623 ( -1.250 -0.721 -2.331) 2.742 3.806 ( -5.108 -2.949 9.531) 11.208 4.145 ( 0.985 0.569 21.854) 21.884 5.116 ( -6.855 -3.958 -15.587) 17.482 5.455 ( 5.425 3.132 4.894) 7.950 6.068 ( 1.826 1.054 -7.889) 8.166 6.327 ( 0.655 0.378 8.976) 9.008 8.198 ( 3.993 2.305 -0.001) 4.610 8.256 ( -6.905 -3.987 6.609) 10.356 8.424 ( -9.193 -5.307 -13.798) 17.408 8.938 ( 9.580 5.531 16.076) 19.514 9.968 ( -5.249 -3.031 -3.917) 7.217 10.005 ( 5.469 3.158 -1.615) 6.518 20.398 ( 3.096 1.787 -0.566) 3.619 20.413 ( -3.298 -1.904 0.397) 3.829 20.583 ( 3.416 1.972 -0.584) 3.988 20.601 ( -2.957 -1.707 0.580) 3.464 24.299 ( -0.879 -0.507 -0.479) 1.122 24.314 ( 0.733 0.423 0.463) 0.965 32.098 ( -1.116 -0.644 -0.554) 1.402 32.116 ( 1.557 0.899 0.568) 1.886 42.015 ( 1.242 0.717 -9.601) 9.708 42.371 ( -1.584 -0.915 12.873) 13.002 43.875 ( -10.093 -5.827 -23.841) 26.537 44.479 ( 15.444 8.917 13.880) 22.598 ======================= Grid point 169 (51/189) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -14.928 -8.619 -3.838) 17.660 2.448 ( -19.693 -11.370 4.494) 23.179 2.863 ( 10.808 6.240 -10.497) 16.307 3.087 ( -1.358 -0.784 10.771) 10.884 3.320 ( 8.389 4.843 -13.092) 16.286 3.446 ( -11.201 -6.467 3.192) 13.322 3.934 ( 8.797 5.079 3.097) 10.619 4.308 ( -0.985 -0.569 11.242) 11.299 4.891 ( -5.000 -2.887 -14.414) 15.527 5.584 ( 4.549 2.626 2.413) 5.780 6.065 ( 1.326 0.766 -6.377) 6.558 6.342 ( -3.759 -2.170 9.246) 10.214 8.096 ( -3.771 -2.177 -16.849) 17.403 8.136 ( -6.992 -4.037 7.213) 10.827 8.380 ( 2.914 1.683 6.146) 7.007 9.170 ( 3.243 1.872 12.176) 12.739 9.813 ( -6.296 -3.635 -4.515) 8.558 10.120 ( 6.271 3.620 -1.340) 7.364 20.363 ( -1.316 -0.760 0.639) 1.648 20.478 ( 4.312 2.489 -1.122) 5.104 20.554 ( -1.382 -0.798 1.437) 2.148 20.648 ( 2.518 1.454 -0.970) 3.066 24.275 ( -1.024 -0.591 -0.456) 1.267 24.329 ( 0.464 0.268 0.289) 0.609 32.074 ( -0.710 -0.410 -0.190) 0.842 32.154 ( 1.473 0.850 0.620) 1.810 41.959 ( -1.990 -1.149 -8.735) 9.032 42.358 ( -5.373 -3.102 12.384) 13.852 43.496 ( -13.551 -7.824 -20.171) 25.529 44.863 ( 12.578 7.262 13.640) 19.925 ======================= Grid point 170 (52/189) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -17.509 -10.109 -0.106) 20.218 1.997 ( -22.786 -13.156 6.626) 27.133 2.964 ( 2.524 1.457 -13.452) 13.764 3.033 ( -1.522 -0.879 4.903) 5.209 3.249 ( -7.360 -4.249 7.171) 11.119 3.620 ( 15.391 8.886 2.801) 17.991 4.069 ( -20.678 -11.938 -3.202) 24.090 4.154 ( 10.307 5.951 -2.955) 12.263 4.774 ( -1.513 -0.874 -8.995) 9.163 5.688 ( 3.964 2.289 1.010) 4.688 6.049 ( -0.750 -0.433 -5.482) 5.550 6.243 ( -9.135 -5.274 7.037) 12.680 8.019 ( -6.815 -3.935 7.585) 10.930 8.027 ( 3.479 2.009 -10.483) 11.226 8.484 ( 4.411 2.546 4.323) 6.680 9.176 ( -6.883 -3.974 7.227) 10.742 9.666 ( -4.472 -2.582 -2.721) 5.836 10.297 ( 9.716 5.610 -0.076) 11.220 20.361 ( 0.689 0.398 1.058) 1.324 20.561 ( 1.159 0.669 2.272) 2.637 20.572 ( 4.540 2.621 -1.698) 5.510 20.677 ( 0.593 0.342 -1.791) 1.917 24.249 ( -1.054 -0.608 -0.349) 1.266 24.338 ( 0.176 0.102 0.132) 0.242 32.067 ( 0.126 0.073 0.003) 0.146 32.184 ( 0.943 0.545 0.452) 1.179 41.843 ( -4.387 -2.533 -7.485) 9.038 42.264 ( -8.190 -4.728 11.117) 14.595 43.067 ( -16.157 -9.328 -16.302) 24.776 45.186 ( 10.405 6.007 11.897) 16.908 ======================= Grid point 171 (53/189) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -19.473 -11.243 4.106) 22.857 1.509 ( -24.284 -14.020 10.330) 29.883 2.852 ( -5.038 -2.909 -13.752) 14.932 3.086 ( -19.343 -11.168 7.822) 23.666 3.093 ( 3.626 2.093 5.627) 7.014 3.539 ( -15.396 -8.889 -6.142) 18.809 3.982 ( 14.021 8.095 7.504) 17.845 4.358 ( 10.087 5.824 -6.404) 13.292 4.699 ( -0.711 -0.411 -8.730) 8.768 5.773 ( 3.103 1.791 0.736) 3.658 5.952 ( -5.432 -3.136 -5.183) 8.137 5.998 ( -14.879 -8.590 2.858) 17.416 7.916 ( -5.552 -3.206 7.142) 9.598 8.047 ( -0.542 -0.313 -3.273) 3.332 8.671 ( 12.330 7.118 -2.671) 14.485 8.976 ( -12.647 -7.301 4.463) 15.270 9.610 ( -0.282 -0.163 2.800) 2.819 10.530 ( 10.476 6.048 -0.028) 12.096 20.402 ( 2.278 1.315 1.467) 3.012 20.622 ( 2.902 1.676 2.505) 4.184 20.643 ( 0.308 0.178 -1.626) 1.664 20.672 ( 2.434 1.405 -2.964) 4.084 24.225 ( -0.952 -0.550 -0.084) 1.103 24.339 ( -0.028 -0.016 0.042) 0.053 32.081 ( 1.071 0.618 0.052) 1.237 32.200 ( 0.338 0.195 0.066) 0.396 41.700 ( -4.898 -2.828 -5.960) 8.216 42.116 ( -9.407 -5.431 9.067) 14.149 42.618 ( -17.007 -9.819 -12.163) 23.099 45.446 ( 8.335 4.812 6.197) 11.447 ======================= Grid point 172 (54/189) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -20.718 -11.961 6.734) 24.853 1.037 ( -23.226 -13.409 15.164) 30.809 2.229 ( -42.708 -24.658 -7.869) 49.939 2.792 ( -5.051 -2.916 8.038) 9.931 3.214 ( 4.123 2.380 4.545) 6.582 3.426 ( 0.915 0.529 -2.693) 2.893 4.301 ( 10.167 5.870 8.962) 14.769 4.545 ( 9.912 5.723 -7.763) 13.830 4.674 ( 2.430 1.403 -7.367) 7.883 5.602 ( -19.558 -11.292 0.904) 22.601 5.769 ( -8.295 -4.789 -4.258) 10.482 5.849 ( 2.669 1.541 -1.700) 3.520 7.853 ( -2.834 -1.636 5.467) 6.372 7.966 ( -4.487 -2.590 -1.735) 5.464 8.697 ( -13.297 -7.677 3.265) 15.698 8.946 ( 12.747 7.359 -10.163) 17.886 9.684 ( 3.840 2.217 11.056) 11.911 10.744 ( 8.460 4.884 -0.578) 9.786 20.469 ( 2.759 1.593 1.527) 3.533 20.597 ( -2.101 -1.213 -2.201) 3.276 20.702 ( 2.858 1.650 1.975) 3.846 20.735 ( 3.194 1.844 -2.556) 4.487 24.209 ( -0.593 -0.342 0.916) 1.144 24.338 ( -0.100 -0.058 0.062) 0.131 32.112 ( 1.588 0.917 0.045) 1.834 32.202 ( -0.045 -0.026 -0.452) 0.455 41.583 ( -2.749 -1.587 -4.239) 5.296 41.950 ( -8.683 -5.013 6.294) 11.838 42.199 ( -15.280 -8.822 -7.936) 19.347 45.581 ( 3.287 1.898 -14.383) 14.875 ======================= Grid point 175 (55/189) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( -0.000 16.853 9.488) 19.340 1.005 ( -0.000 18.939 23.967) 30.547 1.619 ( -0.000 34.678 32.854) 47.770 3.112 ( 0.000 -10.602 1.920) 10.774 3.310 ( 0.000 -0.477 -1.164) 1.258 3.693 ( -0.000 -24.170 20.102) 31.437 4.537 ( 0.000 -3.046 -3.535) 4.666 4.668 ( 0.000 -11.287 0.309) 11.291 4.683 ( 0.000 -5.468 -0.064) 5.469 5.124 ( -0.000 20.459 -3.499) 20.756 5.418 ( 0.000 16.488 -8.184) 18.407 5.838 ( 0.000 -1.894 -4.498) 4.881 7.850 ( -0.000 2.051 -0.546) 2.123 7.901 ( -0.000 2.771 4.426) 5.222 8.461 ( -0.000 12.788 0.736) 12.809 8.611 ( 0.000 18.066 -16.302) 24.334 10.287 ( -0.000 -24.097 13.144) 27.449 10.867 ( 0.000 -5.859 -2.126) 6.233 20.533 ( 0.000 -0.262 -0.549) 0.608 20.549 ( -0.000 -1.295 1.585) 2.046 20.734 ( 0.000 -2.012 -2.684) 3.354 20.767 ( -0.000 -0.640 0.290) 0.703 24.329 ( -0.000 -7.034 4.955) 8.603 24.341 ( -0.000 -0.005 0.430) 0.430 32.147 ( 0.000 -1.403 0.134) 1.409 32.183 ( 0.000 -0.573 -0.733) 0.930 41.525 ( 0.000 -3.430 -1.371) 3.694 41.811 ( 0.000 9.151 -4.095) 10.026 41.845 ( -0.000 9.587 2.307) 9.860 43.517 ( 0.000 104.127 -75.056) 128.358 ======================= Grid point 176 (56/189) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 9.298 23.557 2.665) 25.466 1.112 ( -13.865 21.589 22.375) 34.043 2.380 ( 24.072 23.348 22.966) 40.645 3.002 ( -4.259 -4.605 -5.974) 8.662 3.312 ( 4.467 0.358 6.213) 7.660 3.568 ( -3.947 -7.794 13.290) 15.904 4.200 ( -15.313 -2.818 -1.206) 15.617 4.577 ( 2.837 -12.960 0.341) 13.271 5.057 ( 27.785 -8.708 -0.165) 29.118 5.189 ( -10.620 19.774 -0.387) 22.449 5.626 ( 8.953 9.960 -9.957) 16.689 5.807 ( 2.257 0.198 -4.618) 5.144 7.802 ( -4.309 2.123 2.706) 5.513 8.048 ( 3.828 9.437 2.824) 10.568 8.496 ( 0.069 11.402 -4.868) 12.398 8.914 ( 17.390 6.215 -6.518) 19.584 9.932 ( -21.750 -16.432 11.757) 29.687 10.743 ( -4.808 -8.311 -3.194) 10.118 20.494 ( -3.578 0.186 -0.829) 3.678 20.577 ( 3.285 -2.403 1.429) 4.314 20.665 ( -2.534 -2.061 -2.243) 3.963 20.771 ( 0.478 -2.011 0.070) 2.069 24.282 ( -1.527 -2.616 3.327) 4.499 24.343 ( -0.046 -0.062 0.344) 0.352 32.124 ( -0.961 -1.588 0.125) 1.861 32.172 ( -0.125 -0.134 -1.293) 1.306 41.570 ( 6.874 -1.752 -0.234) 7.097 41.867 ( -0.602 11.239 -2.235) 11.475 42.163 ( 20.244 9.785 2.138) 22.586 44.132 ( 15.558 49.888 -60.363) 79.841 ======================= Grid point 177 (57/189) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 1.662 17.555 14.678) 22.943 1.353 ( 12.927 26.685 -0.073) 29.651 2.774 ( 0.304 -5.307 -6.542) 8.429 2.932 ( 3.979 7.166 9.121) 12.263 3.484 ( 0.475 -1.330 -0.767) 1.607 3.650 ( 11.586 1.876 14.101) 18.347 3.980 ( -8.995 5.153 7.555) 12.827 4.505 ( 3.499 -14.817 2.307) 15.398 5.195 ( -8.254 14.479 3.794) 17.093 5.369 ( 16.522 -4.449 -6.276) 18.225 5.704 ( 5.938 -2.558 -5.344) 8.388 5.928 ( 6.825 8.341 -7.795) 13.301 7.807 ( -0.516 3.646 4.040) 5.466 8.202 ( 0.605 11.286 3.480) 11.826 8.648 ( 8.726 7.383 -5.761) 12.800 9.156 ( 3.961 -1.099 4.628) 6.189 9.490 ( -14.904 -7.064 4.077) 16.990 10.525 ( -7.905 -9.305 -4.532) 13.024 20.427 ( -3.971 0.507 -0.510) 4.036 20.553 ( -2.099 -3.160 -1.855) 4.223 20.652 ( 2.629 -1.528 0.632) 3.106 20.739 ( -1.516 -2.843 0.248) 3.231 24.264 ( -0.449 -0.598 1.913) 2.054 24.341 ( -0.165 -0.135 0.113) 0.242 32.092 ( -1.064 -1.110 0.131) 1.543 32.163 ( -0.118 0.106 -1.611) 1.618 41.691 ( 7.773 1.419 -1.815) 8.108 41.988 ( 2.668 10.289 1.382) 10.719 42.674 ( 26.049 9.780 4.781) 28.232 44.365 ( 4.901 22.113 -44.587) 50.010 ======================= Grid point 178 (58/189) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 11.995 13.860 6.150) 19.334 1.833 ( 13.877 25.266 -1.434) 28.861 2.682 ( 3.085 -3.485 -9.534) 10.609 3.119 ( 5.172 3.812 10.111) 11.980 3.421 ( -5.887 -3.005 3.336) 7.404 3.601 ( -6.699 -6.737 -0.529) 9.516 4.207 ( 4.445 9.628 10.553) 14.961 4.421 ( 1.354 -14.841 4.813) 15.660 5.236 ( -4.595 12.475 4.862) 14.155 5.442 ( 1.745 -0.703 -9.680) 9.861 5.818 ( 11.657 -3.113 -1.478) 12.156 6.051 ( 5.445 4.643 -7.596) 10.436 7.889 ( 2.810 4.046 4.478) 6.658 8.339 ( 1.757 8.107 6.446) 10.505 8.797 ( 4.136 3.709 -6.578) 8.610 8.932 ( -18.699 -5.986 12.101) 23.064 9.540 ( 11.520 2.747 -3.063) 12.232 10.281 ( -7.186 -7.954 -4.975) 11.818 20.376 ( -2.675 1.124 -0.148) 2.905 20.489 ( -0.949 -1.715 -1.726) 2.612 20.646 ( -2.570 -2.956 0.394) 3.937 20.694 ( 0.578 -2.840 0.309) 2.914 24.270 ( 0.342 0.166 1.145) 1.206 24.335 ( -0.348 -0.213 -0.156) 0.437 32.074 ( -0.392 -0.233 0.215) 0.505 32.152 ( -0.407 0.120 -1.556) 1.613 41.824 ( 6.333 4.640 -5.160) 9.394 42.157 ( 4.817 6.465 6.426) 10.310 43.245 ( 26.740 8.819 6.942) 29.000 44.328 ( -2.423 10.155 -34.195) 35.754 ======================= Grid point 179 (59/189) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 16.715 10.139 -1.090) 19.580 2.276 ( 12.875 21.312 -2.150) 24.992 2.699 ( 4.472 -2.771 -6.081) 8.041 3.210 ( -6.870 -7.072 3.855) 10.586 3.333 ( 2.630 3.689 7.746) 8.973 3.494 ( -1.293 0.779 -0.172) 1.520 4.203 ( -9.732 -4.479 -0.047) 10.713 4.322 ( -2.188 -10.871 9.921) 14.879 5.290 ( -2.249 3.402 -8.781) 9.682 5.406 ( -3.686 8.637 2.974) 9.851 5.955 ( 6.333 1.370 -5.583) 8.553 6.160 ( 8.055 -0.061 0.944) 8.111 8.012 ( 4.991 2.506 4.433) 7.130 8.443 ( -1.768 -1.008 8.788) 9.020 8.722 ( -6.704 -0.773 -6.201) 9.164 8.782 ( -4.643 4.317 8.044) 10.242 9.741 ( 10.492 2.266 -2.535) 11.029 10.103 ( -3.698 -5.146 -4.287) 7.650 20.358 ( -0.925 1.646 -0.116) 1.892 20.481 ( 1.854 -0.150 -0.929) 2.079 20.553 ( -4.367 -2.881 0.201) 5.236 20.670 ( -0.515 -3.291 0.106) 3.333 24.288 ( 0.720 0.424 0.751) 1.124 24.324 ( -0.578 -0.290 -0.359) 0.740 32.078 ( 0.539 0.642 0.369) 0.916 32.134 ( -0.878 -0.004 -1.224) 1.506 41.930 ( 3.738 5.891 -7.385) 10.159 42.323 ( 4.223 2.454 10.101) 11.220 43.786 ( 23.688 5.822 5.051) 24.910 44.166 ( -5.907 5.169 -24.513) 25.739 ======================= Grid point 180 (60/189) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 16.744 5.388 -7.418) 19.090 2.616 ( -6.283 -3.410 -4.461) 8.426 2.654 ( 10.679 12.357 0.378) 16.336 2.993 ( -8.325 -10.703 4.893) 14.416 3.414 ( -0.938 3.970 -5.848) 7.130 3.597 ( 5.298 4.653 0.722) 7.088 3.929 ( -11.120 -8.276 4.085) 14.451 4.282 ( -1.543 -1.464 16.754) 16.889 5.139 ( -7.271 -0.067 -15.407) 17.037 5.498 ( -1.037 9.516 4.899) 10.753 5.997 ( 2.350 1.000 -8.186) 8.575 6.311 ( 6.440 -1.117 7.852) 10.217 8.139 ( 5.550 0.075 3.684) 6.662 8.335 ( -8.313 -7.931 3.530) 12.019 8.503 ( -9.049 -0.320 -9.951) 13.453 8.961 ( 5.553 9.184 15.891) 19.176 9.895 ( 7.469 0.075 -3.776) 8.369 9.988 ( -2.718 -3.266 -3.828) 5.719 20.377 ( 1.148 2.040 -0.411) 2.377 20.459 ( -3.812 -1.761 0.263) 4.207 20.531 ( 3.623 0.570 -0.461) 3.697 20.618 ( -1.659 -3.308 0.258) 3.709 24.307 ( -0.819 -0.356 -0.440) 0.996 24.308 ( 0.759 0.423 0.513) 1.009 32.105 ( 1.119 1.116 0.428) 1.637 32.111 ( -1.107 -0.056 -0.685) 1.303 41.981 ( 0.575 4.890 -7.892) 9.302 42.438 ( 1.307 -0.280 11.709) 11.785 43.857 ( -7.300 -1.645 -24.363) 25.486 44.327 ( 18.396 6.819 9.729) 21.899 ======================= Grid point 181 (61/189) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( -13.796 -7.783 -2.280) 16.003 2.527 ( 3.054 -9.717 -7.553) 12.680 2.726 ( -2.185 -1.029 1.191) 2.693 3.046 ( 12.253 6.309 5.650) 14.895 3.323 ( -7.055 5.680 -13.769) 16.481 3.566 ( -7.388 -2.080 -0.145) 7.676 3.884 ( 3.754 -1.345 9.743) 10.527 4.413 ( 0.402 4.706 15.905) 16.591 4.930 ( -7.956 2.173 -14.743) 16.894 5.586 ( 0.526 6.233 1.559) 6.446 5.986 ( 1.834 -2.004 -6.835) 7.355 6.404 ( 0.726 -1.541 8.442) 8.613 8.068 ( -8.255 -4.740 -12.054) 15.359 8.218 ( 0.731 -4.073 4.885) 6.402 8.415 ( -2.080 2.598 6.477) 7.282 9.207 ( 4.145 5.851 12.931) 14.786 9.828 ( -4.207 -6.043 -6.004) 9.501 10.029 ( 6.314 1.791 -2.617) 7.065 20.392 ( -1.837 -0.243 0.122) 1.857 20.438 ( 2.416 2.608 -0.477) 3.587 20.564 ( -0.853 -2.630 0.750) 2.865 20.597 ( 3.434 -0.015 -0.554) 3.478 24.285 ( -1.020 -0.390 -0.397) 1.162 24.325 ( 0.571 0.294 0.320) 0.717 32.086 ( -1.114 -0.151 -0.339) 1.174 32.143 ( 1.373 1.271 0.494) 1.935 41.960 ( -2.632 2.512 -7.146) 8.019 42.477 ( -2.851 -1.416 11.615) 12.044 43.543 ( -12.255 -3.786 -20.720) 24.369 44.733 ( 16.825 4.647 9.063) 19.668 ======================= Grid point 182 (62/189) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -16.638 -13.222 2.370) 21.384 2.267 ( -14.717 -8.985 0.746) 17.259 2.773 ( 6.349 -2.369 -5.792) 8.914 3.172 ( -6.137 4.614 -1.127) 7.760 3.330 ( 1.972 -2.494 0.816) 3.283 3.502 ( 5.388 10.448 0.461) 11.764 4.003 ( 7.477 -2.419 2.638) 8.290 4.335 ( -18.384 -2.154 3.038) 18.758 4.838 ( -3.407 8.266 -6.427) 11.011 5.656 ( 2.236 3.186 -0.494) 3.924 5.950 ( 1.624 -6.494 -4.472) 8.050 6.387 ( -5.334 -1.569 5.594) 7.888 7.896 ( -1.201 -3.645 -6.498) 7.546 8.199 ( -2.779 3.853 1.295) 4.924 8.483 ( 1.581 0.613 9.407) 9.559 9.293 ( -4.390 0.130 7.857) 9.001 9.661 ( -3.833 -6.617 -5.409) 9.367 10.171 ( 9.543 3.140 -1.521) 10.160 20.379 ( -0.613 1.717 0.808) 1.994 20.513 ( 3.812 2.301 -1.358) 4.655 20.550 ( 1.112 -1.393 1.626) 2.412 20.637 ( 2.325 -1.223 -1.320) 2.940 24.262 ( -1.133 -0.370 -0.236) 1.215 24.336 ( 0.293 0.135 0.154) 0.357 32.070 ( -0.487 -0.005 -0.061) 0.491 32.177 ( 1.019 0.934 0.241) 1.403 41.872 ( -5.167 0.037 -5.705) 7.697 42.435 ( -7.207 -1.272 10.264) 12.606 43.169 ( -15.449 -5.171 -16.460) 23.159 45.071 ( 14.196 3.085 6.034) 15.731 ======================= Grid point 183 (63/189) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -17.504 -16.838 7.018) 25.282 1.906 ( -21.955 -4.886 4.432) 22.925 2.803 ( 2.274 -1.288 -7.765) 8.193 3.102 ( -2.627 1.245 -1.511) 3.277 3.290 ( -5.143 0.485 6.796) 8.537 3.827 ( -1.152 2.343 -1.748) 3.142 3.844 ( -11.097 0.773 0.141) 11.125 4.131 ( 7.194 -6.151 1.734) 9.623 4.842 ( -5.408 14.719 -5.327) 16.561 5.721 ( 3.433 0.537 -1.175) 3.667 5.835 ( -2.159 -13.550 -2.107) 13.882 6.256 ( -11.038 0.362 0.470) 11.054 7.842 ( 0.793 -7.474 2.088) 7.801 8.239 ( -3.653 12.459 -1.994) 13.135 8.569 ( 4.312 1.115 6.004) 7.475 9.164 ( -11.584 -2.826 4.204) 12.643 9.550 ( 1.514 -6.980 -1.789) 7.363 10.383 ( 11.857 3.505 -1.002) 12.405 20.413 ( 0.743 3.564 1.362) 3.887 20.573 ( 2.984 -1.948 0.504) 3.599 20.596 ( 3.559 0.839 -1.495) 3.950 20.646 ( 1.429 -0.280 -0.994) 1.763 24.239 ( -1.104 -0.285 0.092) 1.144 24.340 ( 0.054 0.019 0.052) 0.078 32.071 ( 0.521 0.212 0.047) 0.564 32.196 ( 0.451 0.448 -0.227) 0.675 41.741 ( -6.256 -1.142 -3.979) 7.501 42.320 ( -10.649 -0.823 7.743) 13.192 42.767 ( -17.664 -4.702 -11.582) 21.639 45.323 ( 11.299 1.162 -0.907) 11.395 ======================= Grid point 184 (64/189) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -17.691 -16.850 11.879) 27.166 1.475 ( -26.275 -5.334 3.600) 27.051 2.676 ( -17.741 2.237 -10.109) 20.541 3.028 ( -19.694 -6.276 10.151) 23.028 3.155 ( -0.767 -0.838 6.872) 6.966 3.456 ( -5.456 2.306 -1.471) 6.104 4.195 ( 14.651 -6.395 -6.777) 17.364 4.210 ( 11.088 4.741 7.694) 14.305 4.912 ( -4.965 23.119 -3.912) 23.967 5.556 ( -7.658 -21.875 0.887) 23.193 5.796 ( 3.412 1.005 -2.858) 4.563 6.041 ( -15.137 3.160 -3.640) 15.886 7.789 ( 0.264 -7.374 3.774) 8.288 8.200 ( -11.580 7.187 -0.635) 13.644 8.703 ( 3.756 -1.311 -1.296) 4.184 8.981 ( -7.493 4.588 2.033) 9.018 9.570 ( 8.522 -7.599 3.961) 12.085 10.604 ( 11.403 2.202 -1.419) 11.700 20.481 ( 1.342 4.748 1.609) 5.190 20.559 ( 0.709 -5.067 -1.895) 5.456 20.653 ( 3.615 0.174 -1.190) 3.810 20.700 ( 3.082 2.062 0.345) 3.724 24.223 ( -0.763 -0.119 0.882) 1.173 24.339 ( -0.067 -0.022 0.063) 0.095 32.091 ( 1.488 0.286 0.058) 1.516 32.199 ( -0.002 0.089 -0.788) 0.793 41.619 ( -5.239 0.198 -2.120) 5.655 42.143 ( -11.877 -2.819 2.976) 12.565 42.391 ( -18.486 0.363 -4.832) 19.110 45.424 ( 4.983 -2.371 -17.831) 18.665 ======================= Grid point 188 (65/189) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -0.000 25.269 0.896) 25.285 1.618 ( -0.000 19.923 20.916) 28.886 2.482 ( -0.000 17.846 20.579) 27.239 3.040 ( -0.000 8.705 -1.887) 8.907 3.215 ( 0.000 -6.488 -6.500) 9.184 3.583 ( -0.000 -8.435 14.100) 16.431 4.333 ( 0.000 -11.711 -3.746) 12.296 4.530 ( -0.000 -5.942 4.728) 7.593 4.645 ( -0.000 -1.227 7.207) 7.311 5.525 ( 0.000 6.157 -10.710) 12.354 5.541 ( -0.000 21.719 -5.011) 22.290 5.745 ( 0.000 0.730 -4.504) 4.563 7.914 ( -0.000 4.214 -0.260) 4.222 8.086 ( -0.000 8.858 9.387) 12.907 8.656 ( 0.000 2.618 -8.928) 9.304 8.746 ( -0.000 15.520 -0.337) 15.524 10.010 ( -0.000 -16.912 8.564) 18.957 10.669 ( 0.000 -11.073 -4.165) 11.830 20.525 ( 0.000 0.630 -1.907) 2.008 20.533 ( -0.000 -2.500 2.529) 3.556 20.645 ( 0.000 -3.785 -2.877) 4.754 20.747 ( -0.000 -2.010 0.799) 2.163 24.283 ( -0.000 -2.480 2.722) 3.682 24.344 ( -0.000 -0.136 0.302) 0.331 32.115 ( 0.000 -1.826 0.142) 1.832 32.165 ( 0.000 -0.189 -1.323) 1.336 41.508 ( -0.000 2.474 -0.524) 2.529 41.953 ( 0.000 11.331 -7.347) 13.504 42.117 ( -0.000 14.315 4.472) 14.997 44.242 ( 0.000 45.688 -48.322) 66.501 ======================= Grid point 189 (66/189) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 7.768 24.200 0.077) 25.417 1.765 ( -12.890 22.364 18.636) 31.837 2.684 ( 2.460 -3.691 -0.958) 4.538 3.003 ( -2.508 0.763 0.841) 2.753 3.371 ( 10.733 8.464 -1.821) 13.790 3.609 ( 2.981 -2.691 12.326) 12.964 4.179 ( -3.131 -5.031 4.713) 7.571 4.384 ( -5.375 -4.412 5.500) 8.866 4.952 ( 20.902 -4.572 5.721) 22.148 5.458 ( -5.828 7.600 -8.166) 12.586 5.611 ( 1.767 0.522 -7.899) 8.111 5.891 ( 3.889 16.384 -5.017) 17.571 7.908 ( -3.204 3.303 3.435) 5.742 8.292 ( 4.078 9.706 7.948) 13.191 8.611 ( 0.571 5.926 -5.498) 8.104 9.014 ( 11.527 9.246 -1.196) 14.825 9.745 ( -16.595 -12.748 7.315) 22.168 10.495 ( -3.877 -12.337 -5.588) 14.088 20.491 ( -3.027 0.588 -1.791) 3.566 20.531 ( 0.274 -3.143 0.844) 3.265 20.596 ( 1.018 -2.952 -1.101) 3.311 20.728 ( -0.404 -2.750 0.647) 2.854 24.273 ( -0.333 -1.111 1.890) 2.217 24.343 ( -0.103 -0.196 0.112) 0.248 32.094 ( -0.526 -1.406 0.157) 1.509 32.156 ( 0.011 0.041 -1.509) 1.509 41.598 ( 5.921 3.752 0.982) 7.079 42.038 ( 1.750 11.041 -6.773) 13.070 42.430 ( 16.270 13.756 4.768) 21.832 44.382 ( -0.884 28.296 -38.292) 47.621 ======================= Grid point 190 (67/189) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 4.275 18.005 5.193) 19.221 1.952 ( 0.983 26.109 8.840) 27.583 2.571 ( -1.668 -4.232 -10.810) 11.728 3.080 ( 8.036 -2.125 5.468) 9.950 3.478 ( -1.160 0.824 2.524) 2.898 3.627 ( -4.086 -4.653 3.054) 6.904 4.205 ( 6.399 -12.471 3.184) 14.374 4.361 ( -3.145 8.555 8.305) 12.331 5.245 ( 15.824 -4.566 2.845) 16.713 5.413 ( -2.441 6.798 -3.981) 8.247 5.649 ( 5.893 1.006 -4.195) 7.304 6.033 ( -0.529 13.835 -7.223) 15.616 7.928 ( 0.158 1.125 5.070) 5.196 8.434 ( -0.138 6.648 7.690) 10.167 8.732 ( 5.839 7.603 -5.197) 10.905 9.215 ( -4.167 1.349 6.464) 7.808 9.418 ( -4.940 -2.662 0.724) 5.658 10.265 ( -5.226 -11.216 -6.506) 13.980 20.438 ( -2.936 1.090 -1.038) 3.299 20.481 ( -1.659 -2.316 -1.279) 3.123 20.610 ( 2.710 -3.297 0.806) 4.344 20.681 ( -1.925 -3.237 0.343) 3.782 24.273 ( 0.101 -0.179 1.227) 1.244 24.338 ( -0.257 -0.220 -0.131) 0.362 32.078 ( -0.331 -0.523 0.228) 0.659 32.150 ( -0.074 0.259 -1.538) 1.562 41.759 ( 6.520 5.550 1.005) 8.621 42.155 ( 4.266 8.074 -3.935) 9.944 42.924 ( 23.835 10.896 5.418) 26.762 44.364 ( -5.325 16.008 -29.998) 34.417 ======================= Grid point 191 (68/189) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 3.841 14.911 4.122) 15.940 2.319 ( 7.502 23.058 1.756) 24.311 2.526 ( 6.781 -4.129 -6.243) 10.100 3.243 ( 5.521 0.373 2.659) 6.139 3.369 ( -5.678 -7.678 8.182) 12.575 3.553 ( -4.488 3.490 0.592) 5.716 4.173 ( 5.799 -14.173 2.903) 15.586 4.335 ( -8.599 -0.907 -2.218) 8.926 5.322 ( -2.139 3.170 -8.663) 9.470 5.540 ( 4.488 4.966 8.761) 11.025 5.800 ( 11.814 1.631 0.071) 11.926 6.088 ( -1.003 9.316 -6.550) 11.432 7.979 ( 3.226 -2.045 5.039) 6.323 8.525 ( -1.194 3.062 10.945) 11.428 8.770 ( -5.134 2.532 -12.404) 13.662 9.031 ( -11.499 2.260 14.960) 19.004 9.557 ( 11.166 2.584 -4.101) 12.173 10.068 ( -2.699 -7.754 -5.897) 10.109 20.406 ( -2.455 2.064 -0.464) 3.241 20.446 ( 0.831 -1.359 -0.869) 1.815 20.588 ( -2.645 -3.127 0.374) 4.113 20.630 ( 0.594 -3.787 0.178) 3.838 24.284 ( 0.539 0.240 0.799) 0.994 24.328 ( -0.460 -0.220 -0.316) 0.600 32.079 ( 0.357 0.423 0.359) 0.660 32.141 ( -0.472 0.336 -1.322) 1.443 41.913 ( 3.832 7.845 -1.654) 8.886 42.291 ( 6.083 3.001 1.246) 6.897 43.457 ( 24.516 7.673 4.502) 26.080 44.229 ( -7.860 8.503 -22.417) 25.231 ======================= Grid point 192 (69/189) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 6.561 10.148 -2.897) 12.426 2.557 ( 6.190 2.862 -5.760) 8.927 2.667 ( 6.079 8.151 4.866) 11.272 3.050 ( -11.029 -11.946 4.265) 16.809 3.491 ( -3.286 1.881 -3.741) 5.323 3.547 ( 7.093 7.862 8.343) 13.481 4.057 ( -12.138 -5.266 -4.976) 14.136 4.236 ( 8.942 -7.861 6.262) 13.453 5.217 ( -7.914 3.808 -10.098) 13.383 5.656 ( -0.188 4.747 5.980) 7.637 5.958 ( 0.167 6.637 -5.773) 8.798 6.189 ( 9.310 0.690 4.434) 10.335 8.047 ( 5.655 -4.794 5.116) 9.007 8.466 ( -13.267 -4.665 1.984) 14.202 8.591 ( -5.369 1.818 -5.233) 7.715 9.090 ( -0.101 9.362 14.937) 17.629 9.720 ( 9.510 -0.688 -5.803) 11.162 9.959 ( -0.680 -4.251 -4.487) 6.219 20.394 ( -0.916 2.063 -0.408) 2.293 20.468 ( 2.465 -0.663 -0.399) 2.583 20.510 ( -2.983 -1.598 0.304) 3.397 20.598 ( -0.203 -3.908 0.090) 3.915 24.302 ( 0.733 0.330 0.521) 0.958 24.315 ( -0.697 -0.212 -0.381) 0.822 32.100 ( 1.040 1.067 0.455) 1.558 32.126 ( -0.991 0.280 -0.918) 1.380 42.010 ( -0.035 8.194 -4.253) 9.232 42.420 ( 5.709 -1.028 5.732) 8.155 43.825 ( 4.188 5.158 -11.402) 13.197 44.146 ( 8.332 3.605 -2.070) 9.312 ======================= Grid point 193 (70/189) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 4.345 0.146 -7.875) 8.995 2.535 ( -11.947 -3.698 0.251) 12.508 2.723 ( 0.423 -4.490 0.172) 4.514 2.963 ( 6.570 0.605 7.161) 9.737 3.407 ( -5.057 3.263 -7.010) 9.239 3.698 ( -6.012 7.072 -3.073) 9.777 3.857 ( 0.082 -4.739 6.235) 7.832 4.437 ( 11.656 1.180 9.701) 15.211 5.051 ( -10.254 5.392 -9.743) 15.137 5.701 ( -2.714 4.580 3.648) 6.454 5.930 ( -2.441 1.965 -7.683) 8.297 6.366 ( 6.613 -1.548 7.225) 9.916 8.122 ( 5.367 -7.856 6.125) 11.315 8.155 ( -12.256 -1.410 -11.179) 16.648 8.533 ( -4.813 1.163 7.331) 8.846 9.286 ( 2.568 8.403 12.835) 15.555 9.754 ( 1.924 -6.568 -8.413) 10.845 9.938 ( 3.562 0.415 -2.710) 4.495 20.405 ( -0.045 1.222 -0.833) 1.479 20.451 ( -1.043 0.639 0.572) 1.350 20.524 ( 2.786 -0.909 -0.418) 2.960 20.557 ( -0.100 -2.954 0.475) 2.993 24.297 ( -0.928 -0.187 -0.319) 0.999 24.319 ( 0.673 0.244 0.307) 0.779 32.104 ( -1.292 0.175 -0.493) 1.394 32.135 ( 1.340 1.207 0.412) 1.850 42.025 ( -3.603 5.946 -4.569) 8.319 42.511 ( 2.918 -2.367 7.012) 7.955 43.650 ( -12.934 2.263 -15.620) 20.405 44.487 ( 20.084 1.756 4.985) 20.768 ======================= Grid point 194 (71/189) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( -18.736 -9.239 3.360) 21.159 2.286 ( -0.433 -4.989 -4.482) 6.721 2.713 ( -0.489 -0.913 -0.374) 1.101 3.161 ( 11.087 -0.448 5.057) 12.194 3.315 ( -5.674 4.125 -8.587) 11.088 3.618 ( -5.659 7.572 -0.186) 9.454 3.897 ( 3.294 -4.479 2.604) 6.139 4.596 ( -5.165 0.800 7.406) 9.065 4.938 ( -3.853 9.489 -5.707) 11.724 5.696 ( -3.079 2.952 0.511) 4.295 5.864 ( -0.757 -3.103 -4.651) 5.642 6.434 ( 0.306 -2.557 4.291) 5.005 7.913 ( -6.917 -0.794 -6.645) 9.625 8.193 ( 4.464 -2.283 2.757) 5.722 8.535 ( -1.085 0.147 9.975) 10.035 9.406 ( -2.670 3.046 6.989) 8.078 9.627 ( -2.924 -6.256 -6.843) 9.722 10.033 ( 7.905 1.476 -2.324) 8.371 20.406 ( -0.160 1.558 -0.186) 1.578 20.484 ( 1.917 2.356 -0.247) 3.047 20.518 ( 0.647 -2.705 0.677) 2.862 20.574 ( 2.727 -1.537 -0.455) 3.163 24.277 ( -1.101 -0.131 -0.146) 1.118 24.331 ( 0.459 0.101 0.126) 0.486 32.083 ( -1.103 0.101 -0.157) 1.118 32.169 ( 1.150 0.869 0.115) 1.446 41.963 ( -6.350 3.157 -3.249) 7.801 42.535 ( -1.278 -2.483 5.322) 6.010 43.349 ( -16.602 1.695 -10.396) 19.662 44.835 ( 17.783 0.103 1.435) 17.841 ======================= Grid point 195 (72/189) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -19.709 -9.289 6.409) 22.711 2.164 ( -10.879 -2.168 1.676) 11.219 2.710 ( 2.953 -0.162 -2.610) 3.945 3.192 ( -7.642 2.362 -5.872) 9.923 3.320 ( 5.123 -1.675 2.758) 6.054 3.701 ( 6.234 6.565 0.371) 9.061 3.911 ( 4.191 -3.062 -2.258) 5.660 4.354 ( -22.790 -2.375 6.465) 23.808 5.013 ( -0.502 12.500 -1.371) 12.585 5.678 ( -0.142 -1.404 -1.594) 2.129 5.778 ( -3.112 -4.839 -1.283) 5.895 6.380 ( -4.905 -1.966 -0.596) 5.318 7.822 ( -2.391 -1.165 0.620) 2.732 8.285 ( 5.070 4.659 -1.597) 7.069 8.584 ( 1.109 -2.259 11.070) 11.353 9.313 ( -7.856 -4.286 -1.063) 9.013 9.505 ( -4.439 -1.409 -1.742) 4.972 10.202 ( 11.222 1.588 -1.739) 11.467 20.438 ( 1.120 3.195 0.167) 3.390 20.508 ( 1.576 -3.426 -0.016) 3.772 20.547 ( 2.595 1.634 -0.612) 3.128 20.602 ( 2.690 -0.871 0.023) 2.828 24.257 ( -1.153 -0.034 0.145) 1.163 24.338 ( 0.222 -0.009 0.004) 0.222 32.071 ( -0.370 0.070 0.015) 0.377 32.189 ( 0.658 0.321 -0.391) 0.830 41.852 ( -7.830 1.943 -1.439) 8.194 42.465 ( -5.843 -3.788 1.176) 7.062 43.037 ( -19.106 4.482 -3.443) 19.925 45.088 ( 14.093 -1.902 -5.317) 15.182 ======================= Grid point 196 (73/189) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -20.173 -5.336 8.861) 22.670 1.866 ( -23.037 -2.389 1.723) 23.225 2.771 ( 2.836 3.333 -3.776) 5.781 3.053 ( -5.661 -1.106 -5.232) 7.787 3.356 ( -0.924 -1.681 6.229) 6.518 3.747 ( -10.341 0.798 -6.377) 12.176 3.961 ( -5.625 -2.817 6.485) 9.035 4.121 ( 8.076 4.352 7.628) 11.931 5.129 ( -0.256 10.942 2.105) 11.146 5.551 ( -8.109 -6.002 -1.882) 10.262 5.743 ( 1.598 1.030 -1.988) 2.750 6.236 ( -9.062 -0.206 -4.561) 10.147 7.780 ( -2.211 -1.978 3.772) 4.799 8.360 ( -2.775 1.833 -3.628) 4.922 8.658 ( 4.860 -0.726 9.005) 10.259 9.113 ( -7.406 -6.453 -1.208) 9.897 9.449 ( -1.086 1.940 -0.696) 2.330 10.402 ( 12.313 0.124 -2.276) 12.522 20.477 ( 0.885 -4.161 -1.135) 4.403 20.507 ( 2.399 2.352 -0.173) 3.364 20.603 ( 2.350 1.719 -0.366) 2.935 20.658 ( 3.687 0.423 0.879) 3.814 24.241 ( -0.967 0.088 0.649) 1.167 24.340 ( 0.065 -0.047 -0.016) 0.082 32.074 ( 0.659 -0.026 0.055) 0.661 32.194 ( 0.190 -0.080 -0.963) 0.985 41.742 ( -7.420 3.456 0.300) 8.191 42.273 ( -9.941 -6.564 -3.196) 12.334 42.778 ( -20.043 10.276 3.504) 22.795 45.190 ( 7.795 -4.604 -17.654) 19.840 ======================= Grid point 201 (74/189) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -0.000 23.950 -2.109) 24.042 2.177 ( -0.000 16.056 17.062) 23.429 2.632 ( -0.000 -1.998 1.097) 2.279 2.906 ( 0.000 -12.873 -14.856) 19.657 3.449 ( -0.000 14.269 9.050) 16.897 3.629 ( -0.000 4.022 9.325) 10.155 4.086 ( 0.000 -12.929 2.730) 13.214 4.513 ( -0.000 -1.361 6.349) 6.493 4.788 ( -0.000 4.521 11.113) 11.997 5.485 ( 0.000 3.963 -12.473) 13.087 5.520 ( 0.000 -3.999 -9.714) 10.505 6.070 ( -0.000 22.768 -0.875) 22.784 7.948 ( -0.000 -3.354 1.691) 3.756 8.415 ( -0.000 12.132 13.197) 17.926 8.622 ( 0.000 3.293 -4.887) 5.893 9.033 ( -0.000 15.033 -2.344) 15.215 9.795 ( -0.000 -12.815 5.839) 14.083 10.362 ( 0.000 -14.210 -7.169) 15.916 20.505 ( 0.000 -1.096 -2.952) 3.149 20.508 ( -0.000 -2.921 2.908) 4.122 20.552 ( 0.000 -1.748 -2.224) 2.829 20.711 ( -0.000 -2.554 1.077) 2.772 24.274 ( -0.000 -0.891 1.554) 1.791 24.342 ( 0.000 -0.228 -0.005) 0.229 32.086 ( 0.000 -1.206 0.180) 1.219 32.149 ( 0.000 0.026 -1.458) 1.458 41.593 ( -0.000 5.527 0.875) 5.595 42.095 ( 0.000 11.171 -7.364) 13.380 42.469 ( -0.000 15.966 5.593) 16.917 44.468 ( 0.000 22.305 -31.832) 38.869 ======================= Grid point 202 (75/189) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 6.497 19.760 -2.168) 20.914 2.286 ( -7.096 9.395 12.291) 17.021 2.575 ( -6.097 1.803 -7.257) 9.648 2.837 ( 12.643 -7.287 -5.332) 15.536 3.530 ( -1.082 -2.139 7.979) 8.331 3.735 ( -5.379 8.282 6.973) 12.089 4.014 ( 3.278 -11.354 2.499) 12.079 4.540 ( -2.472 6.271 5.820) 8.906 4.972 ( 12.213 -2.243 6.786) 14.150 5.455 ( 0.965 5.104 -6.347) 8.201 5.506 ( 4.918 -1.048 -9.384) 10.646 6.240 ( -3.981 19.434 -1.820) 19.921 7.908 ( 1.201 -8.059 3.841) 9.008 8.569 ( -2.309 8.667 8.773) 12.546 8.707 ( 4.960 9.776 -1.057) 11.013 9.211 ( 5.691 11.766 -2.894) 13.387 9.594 ( -12.557 -9.887 6.219) 17.149 10.166 ( -1.843 -13.523 -8.324) 15.986 20.451 ( -1.261 -2.624 -1.406) 3.233 20.505 ( -1.227 0.000 -0.675) 1.400 20.538 ( 1.766 -2.373 0.253) 2.969 20.682 ( -1.193 -2.691 0.871) 3.070 24.275 ( 0.061 -0.366 1.136) 1.195 24.338 ( -0.136 -0.202 -0.172) 0.298 32.077 ( -0.099 -0.594 0.233) 0.646 32.143 ( 0.154 0.197 -1.410) 1.432 41.711 ( 6.128 5.455 2.119) 8.474 42.166 ( 0.598 9.899 -6.974) 12.124 42.765 ( 12.902 13.955 6.333) 20.033 44.462 ( -4.472 14.692 -25.667) 29.910 ======================= Grid point 203 (76/189) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 4.731 15.110 0.253) 15.835 2.324 ( 5.376 -4.217 0.077) 6.833 2.531 ( -4.449 14.605 1.557) 15.347 3.036 ( 16.088 -0.231 -1.794) 16.189 3.452 ( -7.162 -7.978 6.193) 12.381 3.732 ( -6.740 8.616 7.313) 13.158 3.954 ( 2.993 -13.188 1.288) 13.584 4.470 ( -10.082 1.054 -7.742) 12.756 5.238 ( 14.216 -2.119 7.291) 16.117 5.509 ( 0.725 3.991 -4.337) 5.939 5.611 ( 12.170 3.206 -1.507) 12.675 6.297 ( -7.829 15.921 -2.886) 17.975 7.886 ( 4.031 -10.020 4.917) 11.867 8.649 ( -1.584 7.583 5.293) 9.382 8.838 ( -2.229 7.255 -1.574) 7.751 9.307 ( -11.784 -1.909 10.885) 16.155 9.412 ( 6.112 4.026 -5.163) 8.957 9.980 ( -0.991 -9.638 -7.806) 12.442 20.414 ( 0.305 -1.716 -0.815) 1.924 20.468 ( -2.779 1.404 -1.066) 3.291 20.551 ( 2.112 -3.311 0.790) 4.006 20.626 ( -2.572 -2.680 0.440) 3.741 24.282 ( 0.379 0.014 0.772) 0.860 24.332 ( -0.311 -0.142 -0.295) 0.452 32.077 ( 0.328 0.122 0.327) 0.479 32.142 ( 0.048 0.401 -1.243) 1.307 41.901 ( 7.430 5.719 3.495) 10.006 42.235 ( 2.255 6.568 -6.542) 9.541 43.196 ( 19.573 9.863 6.657) 22.907 44.347 ( -8.441 8.891 -19.735) 23.233 ======================= Grid point 204 (77/189) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( -0.032 12.339 -0.346) 12.343 2.394 ( 9.143 -3.521 -3.740) 10.487 2.687 ( 4.157 7.887 7.369) 11.567 3.176 ( -10.678 -5.998 0.072) 12.248 3.378 ( 12.561 1.856 5.072) 13.673 3.719 ( -8.318 7.615 5.681) 12.627 3.942 ( 11.290 -11.986 0.887) 16.489 4.211 ( -12.893 -0.409 -12.236) 17.780 5.346 ( -4.253 4.055 -0.578) 5.904 5.562 ( 8.338 -4.432 -2.184) 9.692 5.913 ( 14.852 4.756 5.995) 16.708 6.266 ( -9.721 11.885 -3.171) 15.678 7.902 ( 6.290 -9.870 5.342) 12.865 8.654 ( -9.290 2.593 -15.639) 18.374 8.724 ( -10.257 1.420 15.220) 18.409 9.267 ( -2.292 5.374 14.051) 15.218 9.528 ( 7.708 -0.171 -8.169) 11.233 9.885 ( 1.490 -4.149 -5.506) 7.053 20.417 ( 1.480 -0.981 -0.172) 1.784 20.440 ( -1.603 1.855 -0.753) 2.565 20.539 ( -1.287 -2.472 0.585) 2.848 20.564 ( -0.914 -2.779 -0.008) 2.925 24.295 ( 0.651 0.149 0.487) 0.827 24.322 ( -0.527 -0.077 -0.317) 0.620 32.094 ( 0.977 0.629 0.399) 1.229 32.138 ( -0.450 0.484 -0.924) 1.136 42.075 ( 2.655 7.923 2.056) 8.605 42.308 ( 5.786 0.464 -3.268) 6.661 43.648 ( 19.888 6.738 4.819) 21.544 44.168 ( -9.331 4.291 -13.501) 16.963 ======================= Grid point 205 (78/189) ======================= q-point: ( 0.67 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( -3.017 5.184 -2.931) 6.676 2.531 ( 9.091 1.544 -2.543) 9.566 2.810 ( -8.445 -1.900 3.363) 9.286 2.888 ( -2.246 -8.484 6.569) 10.962 3.498 ( -4.166 2.326 -1.878) 5.128 3.781 ( 2.482 3.709 7.196) 8.468 3.954 ( -11.365 4.966 -10.374) 16.169 4.143 ( 21.432 -4.398 1.644) 21.940 5.255 ( -9.846 5.799 -1.753) 11.561 5.645 ( 7.385 -4.615 -1.538) 8.843 6.114 ( -8.719 9.253 -0.454) 12.722 6.246 ( 7.506 -0.387 3.600) 8.334 7.961 ( 7.628 -8.331 5.923) 12.755 8.333 ( -16.020 0.168 -13.190) 20.752 8.682 ( -6.775 0.233 12.192) 13.950 9.405 ( 1.000 8.022 12.092) 14.545 9.568 ( 6.176 -5.835 -10.394) 13.425 9.877 ( 2.483 -0.211 -3.405) 4.219 20.423 ( -0.773 1.354 -0.473) 1.629 20.448 ( 1.564 -0.825 -0.128) 1.773 20.498 ( -0.874 -0.257 0.365) 0.981 20.533 ( -0.125 -2.638 0.077) 2.642 24.309 ( -0.749 -0.013 -0.227) 0.783 24.310 ( 0.719 0.102 0.253) 0.769 32.123 ( 0.764 0.654 0.126) 1.014 32.126 ( -0.422 0.477 -0.314) 0.711 42.141 ( -3.821 7.498 -1.027) 8.478 42.409 ( 7.827 -3.082 0.827) 8.453 43.852 ( -10.646 7.690 -6.473) 14.641 44.166 ( 18.539 -1.433 0.676) 18.606 ======================= Grid point 206 (79/189) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -2.523 2.239 -0.793) 3.466 2.456 ( -19.989 -4.738 3.305) 20.807 2.668 ( 5.241 0.116 -2.640) 5.869 2.989 ( 9.438 -4.918 4.517) 11.562 3.414 ( -5.997 2.760 -2.326) 6.999 3.792 ( -1.886 0.526 -3.679) 4.168 3.846 ( -5.704 4.185 0.435) 7.087 4.489 ( 17.097 -2.030 1.255) 17.263 5.145 ( -9.747 7.557 1.362) 12.409 5.694 ( 3.630 -3.380 -1.871) 5.301 5.971 ( -11.982 5.029 -1.594) 13.092 6.374 ( 5.389 -3.543 2.705) 6.993 8.010 ( -4.204 -3.240 -0.272) 5.315 8.094 ( 0.705 0.568 -3.729) 3.838 8.634 ( -5.234 -1.500 11.788) 12.985 9.461 ( -0.377 -4.956 -7.295) 8.827 9.588 ( 1.296 3.578 4.514) 5.904 9.926 ( 4.818 1.180 -2.441) 5.528 20.418 ( -0.353 1.116 -0.508) 1.276 20.475 ( 1.852 0.636 0.358) 1.991 20.492 ( -0.164 -1.457 -0.063) 1.467 20.522 ( 1.433 -1.022 0.090) 1.763 24.294 ( -0.971 0.065 -0.059) 0.975 24.323 ( 0.630 -0.021 0.062) 0.633 32.106 ( -1.392 0.289 -0.165) 1.432 32.154 ( 1.378 0.342 0.045) 1.420 42.102 ( -6.652 4.438 -0.616) 8.021 42.488 ( 4.418 -3.537 -0.047) 5.660 43.641 ( -16.703 6.562 -2.539) 18.124 44.501 ( 20.447 -1.991 -1.405) 20.592 ======================= Grid point 207 (80/189) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( -20.339 -1.759 4.892) 20.993 2.282 ( -2.347 4.270 3.708) 6.123 2.688 ( -0.457 -0.065 -2.035) 2.087 3.137 ( 11.800 -4.664 -0.005) 12.689 3.328 ( -7.248 4.199 -3.180) 8.960 3.754 ( -5.858 -1.533 0.167) 6.058 3.817 ( 4.224 2.669 -0.388) 5.011 4.562 ( -3.084 -6.859 -2.926) 8.069 5.137 ( -2.908 8.200 6.920) 11.117 5.667 ( -1.270 -2.943 -3.275) 4.582 5.848 ( -6.755 3.304 0.208) 7.522 6.384 ( 0.225 -3.846 -1.842) 4.270 7.895 ( -5.198 2.661 -1.018) 5.928 8.197 ( 7.520 0.121 2.004) 7.783 8.602 ( -2.214 -4.758 11.427) 12.575 9.319 ( -2.839 -6.841 -10.577) 12.913 9.625 ( -4.935 5.177 3.694) 8.050 10.041 ( 8.237 1.323 -1.518) 8.479 20.436 ( 1.284 0.865 -0.363) 1.590 20.469 ( -0.566 -1.371 -0.308) 1.515 20.519 ( 2.601 -0.033 0.158) 2.606 20.553 ( 2.448 0.646 0.265) 2.546 24.278 ( -1.100 0.164 0.182) 1.127 24.331 ( 0.446 -0.123 -0.085) 0.471 32.085 ( -1.184 0.143 0.044) 1.193 32.174 ( 0.999 -0.207 -0.430) 1.108 42.013 ( -8.017 3.194 0.896) 8.676 42.470 ( -1.008 -4.906 -3.148) 5.915 43.425 ( -18.065 9.144 3.648) 20.574 44.768 ( 16.676 -3.558 -7.508) 18.631 ======================= Grid point 208 (81/189) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -20.521 3.719 5.558) 21.583 2.208 ( -15.602 2.147 4.196) 16.298 2.710 ( 3.801 3.945 -3.200) 6.344 3.196 ( -10.699 3.517 -3.604) 11.825 3.271 ( 8.985 -5.223 0.649) 10.413 3.645 ( 0.202 -5.598 -4.105) 6.945 4.000 ( 10.145 5.782 6.048) 13.150 4.330 ( -14.341 -4.507 1.865) 15.148 5.197 ( -1.633 -1.472 10.005) 10.244 5.603 ( -1.191 1.462 -6.745) 7.003 5.796 ( -4.687 5.880 0.584) 7.542 6.303 ( -3.677 -2.156 -5.785) 7.185 7.855 ( -3.965 2.341 3.383) 5.714 8.338 ( 5.419 2.026 -0.920) 5.858 8.575 ( 1.590 -11.017 12.752) 16.927 9.143 ( -5.210 -4.162 -9.863) 11.905 9.592 ( -6.711 7.377 1.655) 10.110 10.195 ( 10.154 -0.189 -2.213) 10.394 20.424 ( -0.195 -3.962 -0.613) 4.014 20.482 ( 1.635 1.907 -1.304) 2.830 20.570 ( 3.746 -0.540 0.744) 3.857 20.616 ( 2.744 2.378 0.648) 3.688 24.263 ( -1.071 0.273 0.502) 1.214 24.335 ( 0.287 -0.155 -0.145) 0.357 32.072 ( -0.464 -0.005 0.104) 0.476 32.180 ( 0.567 -0.557 -0.958) 1.245 41.920 ( -7.906 4.534 1.972) 9.325 42.329 ( -6.483 -6.259 -4.670) 10.149 43.254 ( -18.795 12.985 8.168) 24.261 44.897 ( 10.706 -5.427 -16.783) 20.633 ======================= Grid point 214 (82/189) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 0.000 15.335 -4.914) 16.103 2.344 ( 0.000 -13.479 -7.794) 15.570 2.663 ( -0.000 5.524 1.475) 5.717 2.685 ( -0.000 6.952 4.068) 8.055 3.538 ( -0.000 -5.357 6.878) 8.718 3.882 ( 0.000 -11.301 3.532) 11.840 3.997 ( -0.000 16.293 9.169) 18.695 4.609 ( -0.000 2.935 8.339) 8.840 4.888 ( 0.000 -1.561 -3.296) 3.647 5.329 ( 0.000 -4.604 -10.109) 11.108 5.538 ( -0.000 10.132 -1.307) 10.216 6.449 ( -0.000 16.601 -1.055) 16.634 7.804 ( -0.000 -13.614 4.953) 14.487 8.703 ( 0.000 9.871 -6.328) 11.725 8.794 ( -0.000 11.664 14.186) 18.365 9.267 ( 0.000 12.098 -4.074) 12.766 9.638 ( -0.000 -9.736 6.166) 11.524 9.993 ( 0.000 -14.005 -9.912) 17.157 20.429 ( 0.000 -2.742 -2.120) 3.466 20.480 ( -0.000 -2.781 2.491) 3.734 20.534 ( 0.000 1.056 -2.142) 2.388 20.674 ( -0.000 -2.275 1.071) 2.514 24.276 ( -0.000 -0.302 0.924) 0.972 24.337 ( 0.000 -0.135 -0.242) 0.278 32.074 ( -0.000 -0.363 0.251) 0.441 32.137 ( 0.000 0.211 -1.247) 1.264 41.712 ( -0.000 5.426 0.348) 5.438 42.237 ( -0.000 8.690 -2.285) 8.985 42.822 ( -0.000 13.964 4.804) 14.767 44.508 ( 0.000 11.033 -20.809) 23.553 ======================= Grid point 215 (83/189) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 7.172 8.459 -2.980) 11.484 2.186 ( 3.558 -8.242 -8.079) 12.077 2.733 ( -3.382 5.577 5.916) 8.806 2.829 ( 8.606 6.533 1.424) 10.898 3.495 ( -2.473 -6.314 5.108) 8.489 3.792 ( -0.351 -9.543 2.584) 9.893 4.077 ( -11.224 12.071 9.280) 18.916 4.604 ( -9.325 1.219 -8.576) 12.727 4.977 ( 16.128 -2.128 5.559) 17.192 5.343 ( 10.523 -2.848 -7.668) 13.328 5.631 ( -0.988 9.732 1.563) 9.906 6.542 ( -4.947 12.902 -1.613) 13.911 7.724 ( 3.510 -14.077 5.891) 15.659 8.755 ( -1.374 9.767 -6.260) 11.682 8.976 ( -0.353 10.047 11.050) 14.939 9.367 ( 1.995 7.344 -5.700) 9.509 9.491 ( -9.059 -7.912 7.751) 14.309 9.835 ( 1.715 -9.979 -8.750) 13.382 20.392 ( -0.223 -1.844 -1.017) 2.118 20.483 ( 1.533 -2.385 1.203) 3.080 20.521 ( -1.306 0.999 -1.397) 2.157 20.644 ( -1.705 -2.045 0.770) 2.771 24.280 ( 0.224 -0.146 0.665) 0.717 24.333 ( -0.155 -0.042 -0.283) 0.326 32.074 ( 0.211 -0.025 0.289) 0.359 32.136 ( 0.287 0.375 -1.036) 1.139 41.822 ( 6.942 4.141 0.276) 8.088 42.291 ( -1.835 7.157 -0.566) 7.410 43.063 ( 11.022 9.976 4.444) 15.516 44.460 ( -5.438 8.013 -15.164) 17.993 ======================= Grid point 216 (84/189) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 9.164 -5.152 -2.316) 10.765 2.325 ( 7.398 9.940 -1.651) 12.501 2.749 ( -2.106 0.521 6.667) 7.011 3.089 ( 15.299 6.060 -2.873) 16.705 3.379 ( -7.414 -5.364 6.875) 11.445 3.707 ( 1.676 -11.086 -0.547) 11.226 4.008 ( -12.845 6.813 7.103) 16.182 4.373 ( -11.352 4.674 -12.011) 17.175 5.247 ( 14.539 -4.100 1.401) 15.171 5.473 ( 3.978 1.150 -0.599) 4.184 5.749 ( 8.544 5.123 1.883) 10.139 6.525 ( -8.594 9.456 -2.141) 12.956 7.714 ( 6.455 -11.597 5.988) 14.561 8.742 ( -5.588 5.855 -11.907) 14.397 9.021 ( -11.462 4.182 12.601) 17.540 9.332 ( 2.095 -3.882 -1.039) 4.532 9.445 ( -0.657 2.548 2.640) 3.727 9.781 ( 3.305 -2.523 -5.503) 6.898 20.383 ( 1.053 -0.909 -0.212) 1.408 20.481 ( -0.938 0.312 -0.461) 1.091 20.507 ( 0.379 -1.202 0.109) 1.265 20.588 ( -2.903 -1.634 0.362) 3.350 24.288 ( 0.510 -0.064 0.414) 0.660 24.328 ( -0.341 0.044 -0.254) 0.427 32.085 ( 0.761 0.195 0.318) 0.847 32.140 ( 0.157 0.535 -0.741) 0.927 42.008 ( 10.486 2.280 0.588) 10.747 42.311 ( -2.855 5.511 -0.347) 6.216 43.401 ( 17.652 4.481 3.701) 18.584 44.335 ( -10.058 6.369 -9.057) 14.959 ======================= Grid point 217 (85/189) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 9.709 -1.536 -0.757) 9.859 2.471 ( -0.621 9.577 -2.607) 9.945 2.746 ( 3.194 -8.334 6.587) 11.093 3.092 ( -15.280 -2.308 0.044) 15.453 3.516 ( 10.811 6.939 2.909) 13.172 3.671 ( 14.331 -12.034 -3.695) 19.075 3.866 ( -7.512 -0.216 2.141) 7.814 4.229 ( -11.591 11.426 -3.922) 16.742 5.418 ( 11.846 -3.846 -3.188) 12.856 5.452 ( -7.004 3.110 2.087) 7.943 6.011 ( 14.902 -0.454 2.938) 15.195 6.418 ( -11.574 5.565 -1.922) 12.986 7.777 ( 8.305 -7.477 5.996) 12.682 8.527 ( -14.118 2.037 -16.162) 21.556 8.907 ( -11.071 -0.242 16.225) 19.644 9.351 ( 5.790 -5.478 -12.075) 14.469 9.511 ( 1.353 5.000 10.790) 11.969 9.813 ( 3.222 1.154 -3.740) 5.070 20.402 ( 1.947 -0.466 0.182) 2.010 20.463 ( -1.752 1.267 -0.576) 2.237 20.504 ( 0.423 -1.450 0.265) 1.534 20.530 ( -2.311 -0.846 0.082) 2.462 24.299 ( 0.703 -0.102 0.186) 0.734 24.320 ( -0.552 0.118 -0.148) 0.584 32.106 ( 1.298 0.128 0.257) 1.329 32.141 ( -0.451 0.554 -0.376) 0.807 42.202 ( 10.336 0.422 -0.195) 10.346 42.298 ( -3.997 3.444 0.577) 5.308 43.764 ( 21.023 0.058 1.162) 21.055 44.165 ( -13.321 6.076 -2.834) 14.913 ======================= Grid point 218 (86/189) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( -3.012 3.209 3.291) 5.496 2.537 ( 6.793 2.472 -5.401) 9.023 2.773 ( -13.020 -2.839 2.216) 13.509 2.792 ( 2.378 -6.740 2.141) 7.461 3.538 ( -5.165 1.588 1.833) 5.706 3.703 ( 2.326 -5.028 -7.533) 9.351 4.095 ( 6.684 4.927 2.761) 8.751 4.124 ( 3.679 1.857 0.424) 4.143 5.367 ( -7.707 2.954 4.710) 9.503 5.549 ( 8.141 -0.585 -4.570) 9.354 6.211 ( 10.269 -4.739 0.708) 11.332 6.232 ( -13.532 2.045 -0.400) 13.692 7.901 ( 8.525 -3.485 6.163) 11.082 8.230 ( -13.070 3.292 -13.327) 18.954 8.810 ( -9.198 -1.882 15.379) 18.018 9.288 ( 3.409 -8.414 -14.283) 16.924 9.662 ( 2.672 5.948 9.395) 11.436 9.860 ( 2.941 1.837 -3.277) 4.771 20.436 ( 2.269 -0.237 0.125) 2.284 20.442 ( -1.531 0.856 -0.157) 1.761 20.497 ( -0.366 -0.259 0.204) 0.492 20.504 ( -0.155 -0.242 -0.172) 0.335 24.310 ( -0.720 0.181 0.017) 0.743 24.310 ( 0.694 -0.198 -0.017) 0.722 32.130 ( 0.708 -0.065 0.056) 0.713 32.132 ( -0.396 0.229 -0.056) 0.461 42.250 ( -5.547 1.908 2.209) 6.268 42.343 ( 7.560 -1.751 -2.533) 8.163 43.988 ( -15.233 7.275 3.206) 17.183 44.107 ( 21.485 -2.707 -2.882) 21.846 ======================= Grid point 219 (87/189) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -1.886 6.800 6.768) 9.778 2.466 ( -18.476 3.247 1.852) 18.850 2.652 ( 4.087 0.792 -2.475) 4.843 2.872 ( 11.080 -7.663 -2.657) 13.731 3.477 ( -5.750 3.981 2.042) 7.286 3.694 ( 3.863 -2.591 -6.118) 7.685 3.958 ( -11.307 1.593 5.893) 12.849 4.358 ( 11.382 -8.652 -7.083) 15.956 5.321 ( -5.613 3.018 10.565) 12.338 5.608 ( 2.641 -1.163 -7.026) 7.595 6.042 ( -10.558 2.455 2.476) 11.119 6.281 ( 5.143 -5.288 -3.011) 7.968 8.008 ( -2.318 2.396 1.082) 3.505 8.091 ( 3.208 2.261 -2.872) 4.863 8.716 ( -8.085 -3.580 14.602) 17.070 9.172 ( 2.333 -9.245 -14.799) 17.605 9.771 ( -2.279 6.608 5.078) 8.640 9.932 ( 5.820 1.462 -1.823) 6.272 20.430 ( -0.659 -0.018 0.168) 0.681 20.466 ( 1.990 -1.237 -0.282) 2.360 20.490 ( -1.058 1.485 -0.124) 1.828 20.523 ( 2.412 0.700 0.174) 2.518 24.298 ( -0.939 0.282 0.213) 1.003 24.319 ( 0.657 -0.304 -0.179) 0.746 32.112 ( -1.547 0.274 0.203) 1.584 32.148 ( 1.278 -0.802 -0.363) 1.552 42.177 ( -6.773 1.656 3.564) 7.830 42.385 ( 3.009 -4.044 -5.013) 7.109 43.837 ( -15.953 9.865 8.331) 20.524 44.388 ( 18.919 -4.401 -8.309) 21.126 ======================= Grid point 220 (88/189) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -19.205 8.469 2.347) 21.120 2.471 ( -7.276 6.491 7.251) 12.151 2.695 ( 2.550 4.323 -2.100) 5.440 2.993 ( 14.161 -7.732 -2.943) 16.400 3.415 ( -9.849 5.978 0.009) 11.522 3.637 ( -4.990 -3.209 -4.506) 7.450 3.929 ( 4.645 -0.688 10.347) 11.362 4.304 ( 3.229 -11.604 -10.043) 15.682 5.309 ( -5.797 -2.772 14.622) 15.971 5.560 ( 0.591 -2.354 -9.045) 9.365 5.970 ( -6.041 7.711 2.717) 10.166 6.267 ( 1.109 -3.053 -6.164) 6.967 7.978 ( -4.324 5.447 0.847) 7.006 8.229 ( 8.388 0.357 2.526) 8.767 8.611 ( -7.679 -6.310 14.019) 17.184 9.051 ( 2.218 -7.279 -14.480) 16.358 9.782 ( -5.682 7.311 1.892) 9.450 10.048 ( 6.935 0.777 -1.302) 7.099 20.405 ( -1.287 -1.857 -0.237) 2.272 20.489 ( 0.696 1.452 -0.778) 1.789 20.497 ( 2.041 -0.813 0.321) 2.220 20.590 ( 3.497 1.740 0.430) 3.930 24.287 ( -1.022 0.380 0.431) 1.173 24.325 ( 0.542 -0.329 -0.276) 0.691 32.090 ( -1.371 0.159 0.263) 1.405 32.154 ( 0.962 -1.091 -0.788) 1.654 42.100 ( -7.060 3.189 3.155) 8.365 42.319 ( -1.913 -5.401 -4.628) 7.365 43.728 ( -16.406 12.816 11.424) 23.747 44.554 ( 13.646 -5.782 -15.547) 21.479 ======================= Grid point 227 (89/189) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 0.000 -8.582 -4.936) 9.900 2.066 ( 0.000 7.152 -3.233) 7.848 2.833 ( -0.000 2.390 3.902) 4.575 2.833 ( -0.000 5.199 2.230) 5.657 3.475 ( -0.000 -5.780 4.017) 7.039 3.734 ( 0.000 -5.987 0.480) 6.007 4.389 ( -0.000 12.577 11.175) 16.825 4.721 ( 0.000 -5.028 -10.886) 11.991 4.742 ( -0.000 2.031 2.722) 3.396 5.171 ( 0.000 -1.649 -4.710) 4.990 5.738 ( -0.000 7.058 1.671) 7.253 6.680 ( -0.000 8.674 -1.747) 8.849 7.589 ( -0.000 -13.245 6.666) 14.828 8.827 ( 0.000 10.244 -9.043) 13.665 9.118 ( -0.000 7.223 7.771) 10.609 9.397 ( 0.000 5.067 -3.075) 5.927 9.542 ( -0.000 -7.857 7.961) 11.186 9.670 ( 0.000 -6.595 -8.340) 10.633 20.373 ( 0.000 -1.190 -0.979) 1.541 20.452 ( -0.000 -2.170 1.373) 2.568 20.539 ( 0.000 1.294 -1.271) 1.813 20.646 ( -0.000 -1.584 0.657) 1.715 24.279 ( -0.000 -0.210 0.498) 0.541 24.333 ( 0.000 0.057 -0.256) 0.262 32.074 ( -0.000 -0.033 0.260) 0.262 32.132 ( 0.000 0.433 -0.767) 0.880 41.793 ( 0.000 3.406 -1.698) 3.806 42.383 ( -0.000 4.235 5.927) 7.285 43.067 ( -0.000 7.445 0.280) 7.450 44.519 ( 0.000 7.386 -9.219) 11.813 ======================= Grid point 228 (90/189) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 5.447 -1.970 0.751) 5.841 2.219 ( 10.927 6.000 0.673) 12.484 2.814 ( -2.866 -2.505 3.423) 5.119 2.931 ( 6.543 2.268 -3.036) 7.561 3.440 ( -1.488 -3.548 4.862) 6.200 3.653 ( -3.398 -4.566 -1.802) 5.970 4.315 ( -15.995 -1.730 1.125) 16.128 4.568 ( -8.187 9.944 -2.247) 13.075 4.940 ( 15.551 -4.388 -4.378) 16.741 5.307 ( 13.668 2.018 3.934) 14.366 5.771 ( -1.928 2.768 -0.084) 3.375 6.695 ( -4.585 4.860 -2.219) 7.040 7.548 ( 4.295 -9.318 6.486) 12.138 8.833 ( -4.428 7.138 -10.975) 13.821 9.178 ( 2.880 -1.224 -5.975) 6.745 9.340 ( -10.906 -1.569 7.510) 13.334 9.497 ( -0.179 0.159 6.150) 6.155 9.677 ( 4.969 0.309 -2.991) 5.808 20.364 ( 0.263 -0.274 -0.177) 0.419 20.452 ( 1.458 -1.522 0.419) 2.149 20.534 ( -1.445 1.179 -0.507) 1.932 20.619 ( -1.866 -1.129 0.248) 2.195 24.281 ( 0.293 -0.239 0.299) 0.482 24.331 ( -0.162 0.134 -0.190) 0.283 32.077 ( 0.363 -0.059 0.234) 0.436 32.137 ( 0.368 0.563 -0.450) 0.809 41.868 ( 6.695 1.571 -2.120) 7.196 42.426 ( -2.803 2.598 7.533) 8.447 43.199 ( 10.219 1.797 -1.598) 10.498 44.509 ( -5.893 7.471 -2.802) 9.919 ======================= Grid point 229 (91/189) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 8.804 1.397 0.828) 8.953 2.475 ( 9.336 3.674 3.244) 10.544 2.712 ( -5.462 -6.392 1.206) 8.494 3.112 ( 15.812 0.152 -6.083) 16.942 3.367 ( -6.387 -4.689 4.824) 9.276 3.566 ( -0.225 0.788 -1.367) 1.594 4.017 ( -12.602 -4.563 -3.083) 13.752 4.527 ( -10.635 10.504 3.612) 15.378 5.126 ( 15.166 -3.495 -6.891) 17.021 5.550 ( 4.317 1.832 6.951) 8.385 5.787 ( 7.321 -1.618 -1.091) 7.577 6.605 ( -8.014 1.095 -2.237) 8.392 7.617 ( 7.409 -3.850 5.911) 10.230 8.676 ( -10.957 1.977 -15.043) 18.715 9.139 ( 1.324 -6.379 -7.172) 9.689 9.193 ( -9.238 -0.532 8.352) 12.466 9.560 ( 2.004 1.579 7.081) 7.527 9.765 ( 3.565 4.067 -0.895) 5.481 20.376 ( 1.072 0.169 0.297) 1.125 20.471 ( 1.532 -0.157 -0.229) 1.557 20.511 ( -2.077 0.582 0.151) 2.162 20.570 ( -2.810 -0.398 -0.094) 2.840 24.287 ( 0.562 -0.304 0.094) 0.646 24.328 ( -0.336 0.190 -0.082) 0.395 32.088 ( 0.883 -0.228 0.175) 0.929 32.147 ( 0.181 0.611 -0.099) 0.645 42.005 ( 9.953 -0.968 -2.485) 10.304 42.425 ( -4.118 1.879 6.626) 8.025 43.414 ( 17.296 -3.559 -2.308) 17.808 44.443 ( -10.695 7.918 2.994) 13.640 ======================= Grid point 230 (92/189) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 10.355 3.113 -1.169) 10.876 2.538 ( -1.242 -13.633 0.176) 13.691 2.612 ( 1.477 4.093 -0.757) 4.416 3.074 ( -14.667 0.928 -0.753) 14.716 3.425 ( 13.995 -8.018 -3.748) 16.559 3.670 ( 1.192 6.071 1.313) 6.324 3.846 ( 3.955 -2.282 0.314) 4.577 4.423 ( -13.570 4.871 5.693) 15.501 5.308 ( 12.339 -0.713 -6.044) 13.759 5.563 ( -4.939 2.647 4.778) 7.364 5.954 ( 13.292 -5.739 -0.473) 14.486 6.432 ( -10.461 -2.296 -0.863) 10.745 7.769 ( 8.559 0.562 5.390) 10.131 8.402 ( -12.639 1.572 -14.953) 19.642 9.040 ( -9.046 -3.072 13.964) 16.919 9.086 ( 0.903 -6.349 -13.011) 14.506 9.664 ( 5.310 0.625 5.163) 7.432 9.852 ( 1.151 5.547 0.144) 5.667 20.405 ( 1.690 0.487 0.304) 1.785 20.480 ( -1.913 0.097 0.376) 1.952 20.492 ( 0.346 0.591 -0.349) 0.769 20.527 ( -1.903 0.658 -0.153) 2.019 24.295 ( 0.724 -0.411 -0.096) 0.838 24.323 ( -0.519 0.244 0.059) 0.577 32.102 ( 1.228 -0.606 0.024) 1.370 32.151 ( -0.529 0.515 0.238) 0.776 42.135 ( 9.226 -3.727 -2.342) 10.222 42.395 ( -4.703 1.263 4.497) 6.628 43.678 ( 21.076 -6.029 -3.411) 22.185 44.344 ( -13.391 8.500 7.224) 17.428 ======================= Grid point 231 (93/189) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 4.788 -7.876 4.096) 10.087 2.504 ( 9.541 3.460 -5.715) 11.648 2.655 ( 3.096 -0.666 -3.288) 4.565 2.835 ( -16.399 4.489 1.945) 17.114 3.525 ( 8.614 -3.989 -4.072) 10.330 3.616 ( -5.282 0.975 3.263) 6.284 4.046 ( 12.387 -3.690 -5.170) 13.921 4.236 ( -15.203 0.071 8.363) 17.352 5.437 ( 3.518 0.100 2.943) 4.588 5.527 ( -2.061 0.732 -3.681) 4.282 6.077 ( 9.454 -6.328 -2.012) 11.553 6.239 ( -9.200 -1.381 2.278) 9.577 7.947 ( 7.900 1.435 4.586) 9.247 8.181 ( -8.366 4.541 -10.464) 14.146 8.928 ( -9.580 -2.959 14.939) 17.992 8.957 ( 1.249 -8.852 -14.533) 17.062 9.798 ( 7.479 0.428 2.330) 7.845 9.909 ( -1.185 6.103 0.331) 6.225 20.431 ( 0.591 -0.652 0.061) 0.881 20.460 ( -1.315 0.905 0.433) 1.654 20.489 ( 0.955 -0.217 -0.105) 0.985 20.527 ( -0.614 2.640 -0.251) 2.722 24.302 ( 0.773 -0.503 -0.258) 0.958 24.316 ( -0.695 0.309 0.214) 0.790 32.115 ( 1.240 -1.079 -0.229) 1.660 32.141 ( -1.315 0.354 0.462) 1.438 42.211 ( 5.760 -5.334 0.459) 7.864 42.336 ( -4.761 0.410 -0.027) 4.778 43.952 ( 20.549 -6.167 -5.575) 22.167 44.243 ( -13.778 9.407 9.382) 19.140 ======================= Grid point 232 (94/189) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( -8.710 10.385 -7.524) 15.503 2.589 ( 13.349 -2.350 7.524) 15.502 2.676 ( 6.063 -3.501 -7.690) 10.400 2.676 ( -6.064 3.500 7.690) 10.400 3.603 ( 5.465 -0.528 -5.428) 7.721 3.603 ( -3.190 4.469 5.428) 7.721 4.033 ( 3.241 -12.376 -14.106) 19.043 4.033 ( -12.338 -3.381 14.106) 19.043 5.452 ( 0.968 -5.240 -12.488) 13.577 5.452 ( -5.022 -1.782 12.488) 13.577 6.148 ( 4.301 -1.667 -6.705) 8.139 6.148 ( -3.594 2.891 6.705) 8.139 8.105 ( -1.053 5.119 -4.681) 7.015 8.105 ( 4.959 1.648 4.681) 7.015 8.820 ( 3.885 -10.198 -16.344) 19.653 8.820 ( -10.775 -1.735 16.344) 19.653 9.934 ( 4.175 2.049 -3.016) 5.543 9.934 ( -0.313 4.640 3.016) 5.543 20.430 ( -0.823 -0.754 -0.762) 1.352 20.430 ( -0.242 -1.090 0.762) 1.352 20.540 ( -0.227 2.875 -0.573) 2.940 20.540 ( 2.603 1.241 0.573) 2.940 24.308 ( 0.751 -0.527 -0.370) 0.989 24.308 ( -0.831 0.387 0.370) 0.989 32.121 ( 1.087 -1.335 -0.526) 1.800 32.121 ( -1.699 0.274 0.526) 1.800 42.241 ( -1.015 -2.622 -8.839) 9.276 42.241 ( -1.763 -2.190 8.839) 9.276 44.165 ( 14.899 -5.437 -15.147) 21.931 44.165 ( -12.158 10.185 15.147) 21.931 ======================= Grid point 241 (95/189) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -0.000 5.685 9.329) 10.925 2.165 ( -0.000 3.640 2.567) 4.454 2.819 ( 0.000 -3.574 0.752) 3.653 2.850 ( 0.000 -3.536 -6.621) 7.506 3.449 ( -0.000 -1.310 4.772) 4.948 3.646 ( 0.000 -1.715 -3.841) 4.206 4.438 ( 0.000 -9.922 -3.423) 10.496 4.660 ( 0.000 -4.264 -10.900) 11.704 4.778 ( -0.000 11.272 5.990) 12.765 5.232 ( -0.000 4.783 6.954) 8.441 5.795 ( 0.000 -1.398 -0.956) 1.694 6.748 ( 0.000 0.693 -2.669) 2.758 7.474 ( -0.000 -4.568 6.188) 7.691 8.893 ( 0.000 6.201 -10.057) 11.816 9.038 ( 0.000 -8.288 -13.364) 15.726 9.493 ( -0.000 -5.819 8.433) 10.246 9.531 ( -0.000 2.065 5.634) 6.001 9.633 ( -0.000 7.596 1.122) 7.678 20.366 ( -0.000 0.888 0.244) 0.921 20.426 ( 0.000 -1.134 -0.058) 1.136 20.557 ( -0.000 1.157 0.155) 1.168 20.626 ( 0.000 -0.666 -0.156) 0.684 24.277 ( -0.000 -0.358 0.146) 0.387 24.334 ( 0.000 0.184 -0.120) 0.220 32.074 ( -0.000 -0.191 0.152) 0.244 32.138 ( -0.000 0.637 -0.115) 0.648 41.809 ( 0.000 0.461 -2.221) 2.268 42.511 ( -0.000 -1.201 12.536) 12.594 43.090 ( 0.000 -1.828 -6.310) 6.569 44.637 ( -0.000 8.055 2.876) 8.553 ======================= Grid point 242 (96/189) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -0.197 6.233 6.556) 9.048 2.345 ( 9.931 0.244 7.885) 12.683 2.744 ( -2.855 -3.505 -1.428) 4.741 2.835 ( 8.712 -4.574 -6.414) 11.745 3.447 ( -2.896 -1.823 3.151) 4.652 3.590 ( -1.774 2.107 -5.061) 5.762 4.152 ( -12.970 -8.560 -3.498) 15.929 4.738 ( 9.508 -5.058 -4.620) 11.719 4.833 ( -1.003 7.236 0.035) 7.305 5.435 ( 11.320 3.620 7.224) 13.908 5.746 ( -1.761 -3.694 -0.097) 4.093 6.685 ( -4.195 -3.162 -2.858) 5.981 7.528 ( 4.645 1.198 5.316) 7.160 8.765 ( -8.081 -2.906 -13.627) 16.107 8.965 ( 4.360 -3.523 -11.852) 13.111 9.402 ( -8.573 -3.122 8.643) 12.568 9.552 ( 1.558 -2.110 1.940) 3.262 9.784 ( 2.563 9.466 5.213) 11.106 20.377 ( -0.225 1.157 0.561) 1.305 20.438 ( 2.049 0.323 -0.415) 2.115 20.554 ( -1.821 0.651 0.748) 2.074 20.606 ( -1.643 0.106 -0.534) 1.730 24.276 ( 0.311 -0.456 -0.027) 0.552 24.334 ( -0.145 0.208 -0.038) 0.256 32.075 ( 0.353 -0.314 0.083) 0.479 32.148 ( 0.360 0.668 0.227) 0.792 41.846 ( 5.772 -1.432 -1.872) 6.235 42.528 ( -2.936 -2.765 11.670) 12.347 43.107 ( 10.577 -6.268 -6.072) 13.712 44.691 ( -5.986 8.015 7.292) 12.380 ======================= Grid point 243 (97/189) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 4.779 4.868 0.948) 6.888 2.352 ( 0.771 -15.915 -3.694) 16.357 2.682 ( -2.909 -0.592 1.628) 3.386 3.050 ( 17.193 -0.519 0.959) 17.227 3.319 ( -9.430 -0.146 -1.093) 9.494 3.654 ( 6.304 6.468 -2.139) 9.282 3.881 ( -9.453 -6.130 0.229) 11.269 4.673 ( -8.902 -2.545 4.323) 10.218 5.018 ( 16.449 1.676 -8.480) 18.582 5.664 ( 0.791 1.441 7.624) 7.799 5.698 ( 7.837 -4.625 -0.737) 9.130 6.528 ( -6.890 -6.451 -1.699) 9.591 7.689 ( 6.976 5.050 4.321) 9.635 8.508 ( -9.071 -3.290 -14.284) 17.238 8.928 ( 1.671 -2.877 -12.673) 13.103 9.257 ( -9.908 -4.172 10.878) 15.293 9.580 ( 4.439 -3.441 1.249) 5.754 9.922 ( 0.096 9.021 4.217) 9.958 20.394 ( 0.741 1.315 0.477) 1.583 20.483 ( 1.717 1.588 -0.158) 2.344 20.519 ( -2.594 -0.224 0.566) 2.665 20.575 ( -2.435 1.255 -0.439) 2.774 24.278 ( 0.566 -0.565 -0.195) 0.824 24.332 ( -0.284 0.227 0.059) 0.369 32.080 ( 0.692 -0.532 0.003) 0.873 32.161 ( 0.099 0.562 0.538) 0.784 41.937 ( 8.410 -3.572 -1.578) 9.272 42.488 ( -3.914 -3.286 7.326) 8.932 43.255 ( 18.285 -8.524 -3.758) 20.522 44.670 ( -10.489 7.516 10.353) 16.544 ======================= Grid point 244 (98/189) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 5.603 -17.565 -5.439) 19.222 2.354 ( 8.579 2.630 -4.957) 10.251 2.650 ( -0.255 -1.520 2.591) 3.015 3.137 ( -12.227 6.505 -0.324) 13.854 3.291 ( 11.140 -5.151 0.829) 12.301 3.712 ( -4.760 -5.536 3.432) 8.067 3.858 ( 7.969 7.535 -3.812) 11.610 4.492 ( -10.789 -4.687 6.029) 13.219 5.266 ( 13.291 3.245 -8.509) 16.112 5.603 ( -4.500 -3.713 4.299) 7.247 5.850 ( 9.403 -3.480 -0.010) 10.027 6.349 ( -6.184 -5.601 2.485) 8.705 7.865 ( 6.281 3.105 2.056) 7.302 8.295 ( -6.821 2.202 -10.220) 12.483 8.809 ( -2.857 -5.404 -14.548) 15.780 9.128 ( -7.374 -4.530 13.751) 16.247 9.657 ( 7.951 -2.719 -0.131) 8.404 10.007 ( -1.723 7.817 2.746) 8.463 20.429 ( 0.711 1.511 0.502) 1.744 20.462 ( -1.459 -1.735 0.595) 2.344 20.523 ( -1.294 2.403 -0.357) 2.753 20.557 ( -0.562 2.697 -0.333) 2.775 24.282 ( 0.740 -0.663 -0.334) 1.048 24.329 ( -0.423 0.257 0.166) 0.523 32.086 ( 0.824 -0.861 -0.120) 1.198 32.165 ( -0.669 0.374 0.748) 1.070 42.030 ( 8.304 -4.985 -1.272) 9.769 42.412 ( -4.288 -3.984 3.929) 7.050 43.495 ( 21.568 -8.146 -5.098) 23.612 44.607 ( -12.303 7.551 12.832) 19.314 ======================= Grid point 254 (99/189) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -0.000 -4.848 5.004) 6.967 2.308 ( -0.000 7.914 12.247) 14.581 2.647 ( 0.000 -5.177 -7.851) 9.404 2.751 ( -0.000 -1.672 1.172) 2.042 3.467 ( -0.000 -1.721 1.841) 2.520 3.596 ( 0.000 4.048 -8.076) 9.034 4.203 ( 0.000 -12.954 1.675) 13.062 4.452 ( 0.000 -3.053 -12.688) 13.051 4.945 ( 0.000 0.027 -0.967) 0.968 5.416 ( -0.000 5.474 7.847) 9.568 5.730 ( -0.000 -3.735 3.904) 5.402 6.654 ( 0.000 -7.038 -3.416) 7.824 7.550 ( -0.000 6.433 4.506) 7.854 8.701 ( 0.000 -10.198 -14.982) 18.124 8.846 ( 0.000 -1.015 -8.614) 8.674 9.492 ( 0.000 -5.722 -0.767) 5.773 9.500 ( -0.000 -1.003 6.024) 6.107 9.909 ( -0.000 12.363 7.115) 14.264 20.409 ( 0.000 0.194 -1.301) 1.316 20.413 ( -0.000 2.894 1.479) 3.250 20.584 ( -0.000 0.563 1.575) 1.672 20.618 ( 0.000 0.583 -1.133) 1.274 24.268 ( 0.000 -0.555 -0.180) 0.584 24.337 ( -0.000 0.192 -0.006) 0.192 32.070 ( 0.000 -0.246 -0.003) 0.246 32.154 ( -0.000 0.696 0.545) 0.884 41.771 ( 0.000 -2.629 -0.733) 2.730 42.581 ( -0.000 -6.829 15.610) 17.038 42.897 ( 0.000 -8.713 -9.441) 12.847 44.863 ( -0.000 7.371 10.454) 12.792 ======================= Grid point 255 (100/189) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 0.874 -13.727 -2.450) 13.971 2.266 ( -6.252 -4.362 -1.127) 7.706 2.677 ( 2.630 -4.212 -1.583) 5.212 2.856 ( 9.103 6.626 11.135) 15.835 3.430 ( -3.089 -0.121 -1.687) 3.522 3.618 ( 1.272 7.257 -6.185) 9.619 3.981 ( -8.199 -7.819 2.463) 11.594 4.527 ( 12.771 -8.166 -9.453) 17.864 4.879 ( 0.567 -2.383 -3.683) 4.423 5.559 ( 5.606 2.831 4.804) 7.907 5.726 ( -1.337 -1.390 8.207) 8.431 6.521 ( -3.273 -10.318 -2.783) 11.176 7.687 ( 3.643 9.230 3.641) 10.570 8.487 ( -4.015 -8.319 -13.433) 16.302 8.811 ( 2.790 -3.005 -8.953) 9.848 9.404 ( -4.655 -4.886 1.350) 6.882 9.489 ( -0.778 -3.392 3.306) 4.800 10.061 ( -0.814 12.112 5.560) 13.352 20.406 ( 0.076 1.629 -0.574) 1.729 20.471 ( 1.797 2.936 0.941) 3.568 20.569 ( -2.790 -0.166 1.195) 3.040 20.615 ( -0.935 1.518 -0.767) 1.941 24.263 ( 0.298 -0.644 -0.338) 0.786 24.338 ( -0.104 0.170 0.029) 0.202 32.070 ( 0.191 -0.167 -0.052) 0.260 32.166 ( 0.274 0.593 0.805) 1.036 41.781 ( 4.886 -4.107 0.006) 6.383 42.539 ( -3.600 -8.028 9.671) 13.074 42.875 ( 12.765 -11.038 -4.297) 17.414 44.938 ( -5.987 6.235 12.718) 15.377 ======================= Grid point 256 (101/189) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -0.406 -20.247 -9.652) 22.434 2.203 ( 4.876 -8.035 -3.061) 9.885 2.663 ( -0.973 0.389 3.380) 3.539 3.089 ( 8.867 -2.658 6.135) 11.105 3.359 ( -6.449 4.472 -2.186) 8.147 3.689 ( 0.851 -0.058 1.851) 2.038 3.895 ( -0.697 7.441 -0.732) 7.510 4.467 ( 2.441 -16.568 -6.686) 18.033 5.031 ( 14.566 5.592 -3.718) 16.039 5.633 ( -1.280 -2.974 3.999) 5.146 5.741 ( 1.655 -1.534 3.561) 4.216 6.360 ( -2.389 -9.241 1.625) 9.682 7.826 ( 2.511 3.537 -0.049) 4.338 8.331 ( -1.696 -0.136 -7.232) 7.430 8.765 ( -1.028 -1.462 -11.423) 11.562 9.246 ( -8.059 -6.733 6.189) 12.190 9.494 ( 5.719 -4.894 0.428) 7.540 10.160 ( -3.501 10.713 3.779) 11.888 20.437 ( 0.975 2.567 0.353) 2.768 20.500 ( -3.501 -0.928 0.848) 3.720 20.541 ( 1.114 2.771 0.173) 2.992 20.607 ( -1.866 2.538 -0.607) 3.208 24.262 ( 0.553 -0.739 -0.455) 1.029 24.337 ( -0.191 0.159 0.078) 0.260 32.071 ( 0.252 -0.225 -0.080) 0.347 32.179 ( -0.049 0.370 0.962) 1.032 41.842 ( 7.386 -5.157 -0.141) 9.009 42.437 ( -3.092 -8.356 4.555) 10.007 43.032 ( 19.637 -10.890 -2.552) 22.599 44.928 ( -9.716 5.537 14.726) 18.491 ======================= Grid point 267 (102/189) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 0.000 -18.314 -4.746) 18.919 2.223 ( 0.000 -16.143 -7.928) 17.985 2.613 ( -0.000 0.592 4.961) 4.996 2.946 ( -0.000 9.210 10.975) 14.327 3.412 ( 0.000 -2.598 -2.956) 3.935 3.703 ( 0.000 15.715 -5.810) 16.754 3.930 ( 0.000 -20.989 4.113) 21.388 4.319 ( 0.000 1.657 -9.671) 9.811 4.762 ( 0.000 -9.817 -6.929) 12.017 5.594 ( -0.000 5.164 6.352) 8.186 5.780 ( -0.000 -0.876 10.870) 10.905 6.410 ( 0.000 -14.247 -3.489) 14.668 7.784 ( -0.000 11.656 3.934) 12.302 8.353 ( 0.000 -10.201 -13.335) 16.789 8.706 ( 0.000 -3.960 -6.202) 7.359 9.312 ( 0.000 -11.465 -1.438) 11.555 9.570 ( -0.000 3.497 1.993) 4.025 10.222 ( -0.000 13.199 4.881) 14.073 20.409 ( 0.000 1.567 -2.007) 2.546 20.505 ( -0.000 4.291 2.527) 4.980 20.607 ( -0.000 -0.508 2.501) 2.552 20.628 ( 0.000 2.081 -1.903) 2.820 24.252 ( 0.000 -0.674 -0.517) 0.850 24.340 ( -0.000 0.105 -0.005) 0.105 32.069 ( 0.000 0.281 -0.097) 0.298 32.174 ( -0.000 0.535 0.986) 1.122 41.700 ( -0.000 -4.858 1.569) 5.105 42.559 ( -0.000 -12.109 15.328) 19.534 42.590 ( 0.000 -12.198 -9.515) 15.471 45.113 ( -0.000 4.811 14.566) 15.340 ======================= Grid point 268 (103/189) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -4.756 -21.338 -10.558) 24.277 1.985 ( 1.783 -20.427 -5.530) 21.237 2.687 ( 3.294 0.317 5.587) 6.494 3.047 ( -1.063 2.360 5.810) 6.361 3.387 ( 1.216 -0.699 -5.070) 5.260 3.738 ( 1.570 -10.600 6.088) 12.324 3.893 ( 4.624 8.440 -4.202) 10.501 4.237 ( -4.123 -5.631 -10.131) 12.302 4.809 ( 15.186 1.033 -1.118) 15.262 5.673 ( -0.498 3.381 4.928) 5.997 5.769 ( -5.061 -5.146 6.456) 9.684 6.259 ( 1.941 -13.697 -0.038) 13.834 7.862 ( -3.639 2.895 -0.488) 4.676 8.263 ( 5.868 -1.966 -5.584) 8.336 8.673 ( 2.320 -1.413 -6.085) 6.664 9.212 ( 2.732 -11.959 -2.135) 12.451 9.524 ( -8.871 2.346 1.136) 9.246 10.349 ( -2.713 12.477 3.444) 13.225 20.435 ( 1.963 2.724 -1.541) 3.694 20.554 ( -1.475 2.491 2.301) 3.698 20.577 ( -2.527 0.502 1.395) 2.930 20.647 ( -0.162 2.616 -0.971) 2.795 24.245 ( 0.275 -0.723 -0.655) 1.014 24.340 ( -0.047 0.054 -0.014) 0.073 32.072 ( -0.103 0.579 -0.094) 0.596 32.186 ( 0.160 0.339 1.050) 1.115 41.696 ( 4.006 -5.388 1.804) 6.953 42.397 ( -1.735 -11.675 0.279) 11.807 42.628 ( 13.002 -13.852 3.793) 19.374 45.184 ( -5.604 3.740 16.248) 17.590 ======================= Grid point 280 (104/189) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 0.000 -22.081 -6.800) 23.104 1.695 ( 0.000 -24.766 -13.511) 28.211 2.642 ( -0.000 -8.174 9.883) 12.825 3.145 ( -0.000 5.947 -0.412) 5.961 3.280 ( 0.000 -14.791 -13.787) 20.220 3.452 ( 0.000 -18.216 4.931) 18.872 4.050 ( -0.000 19.957 -0.834) 19.974 4.325 ( 0.000 6.110 -2.864) 6.748 4.607 ( -0.000 -2.490 2.315) 3.400 5.743 ( -0.000 4.523 4.181) 6.160 5.841 ( -0.000 -4.678 9.105) 10.237 6.042 ( 0.000 -20.135 -2.499) 20.290 7.989 ( -0.000 2.540 3.763) 4.540 8.049 ( 0.000 -8.258 -9.932) 12.917 8.666 ( -0.000 6.663 -0.898) 6.723 9.029 ( 0.000 -15.155 -2.442) 15.350 9.655 ( 0.000 5.375 -3.245) 6.279 10.511 ( -0.000 12.442 2.416) 12.675 20.429 ( 0.000 2.703 -2.060) 3.399 20.612 ( -0.000 -1.750 2.816) 3.316 20.622 ( -0.000 4.667 2.915) 5.502 20.659 ( 0.000 3.212 -2.194) 3.890 24.232 ( 0.000 -0.682 -0.878) 1.112 24.340 ( 0.000 -0.028 -0.069) 0.075 32.082 ( -0.000 1.228 -0.098) 1.232 32.192 ( -0.000 0.223 0.991) 1.016 41.626 ( -0.000 -5.202 3.530) 6.287 42.251 ( 0.000 -12.684 -8.297) 15.156 42.426 ( -0.000 -16.135 12.405) 20.353 45.349 ( -0.000 2.579 17.587) 17.775 ======================= Grid point 321 (105/189) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -0.000 -0.000 26.214) 26.214 0.819 ( -0.000 -0.000 26.214) 26.214 1.385 ( -0.000 -0.000 43.432) 43.432 3.252 ( 0.000 0.000 -4.829) 4.829 3.252 ( 0.000 0.000 -4.829) 4.829 4.466 ( 0.000 0.000 -3.371) 3.371 4.466 ( 0.000 0.000 -3.371) 3.371 4.721 ( -0.000 -0.000 6.005) 6.005 4.817 ( 0.000 0.000 -8.737) 8.737 4.919 ( -0.000 -0.000 2.227) 2.227 4.919 ( -0.000 -0.000 2.227) 2.227 5.831 ( 0.000 0.000 -5.183) 5.183 7.876 ( -0.000 -0.000 2.016) 2.016 7.876 ( -0.000 -0.000 2.016) 2.016 8.279 ( 0.000 0.000 -1.151) 1.151 8.279 ( 0.000 0.000 -1.151) 1.151 10.655 ( -0.000 -0.000 0.612) 0.612 10.915 ( 0.000 0.000 -2.036) 2.036 20.556 ( -0.000 -0.000 0.902) 0.902 20.556 ( -0.000 -0.000 0.902) 0.902 20.754 ( 0.000 0.000 -0.934) 0.934 20.754 ( 0.000 0.000 -0.934) 0.934 24.344 ( -0.000 -0.000 0.602) 0.602 24.466 ( 0.000 0.000 -0.595) 0.595 32.163 ( -0.000 -0.000 0.179) 0.179 32.197 ( 0.000 0.000 -0.167) 0.167 41.644 ( -0.000 0.000 0.230) 0.230 41.644 ( 0.000 -0.000 0.230) 0.230 41.712 ( 0.000 0.000 -0.425) 0.425 41.712 ( 0.000 0.000 -0.425) 0.425 ======================= Grid point 322 (106/189) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -1.434 -0.828 23.276) 23.334 0.963 ( -2.037 -1.176 26.177) 26.283 2.093 ( 32.044 18.501 32.536) 49.272 3.070 ( -7.928 -4.578 -9.804) 13.414 3.312 ( 3.458 1.997 -1.001) 4.117 3.909 ( -23.300 -13.453 20.686) 33.938 4.249 ( -9.690 -5.594 -1.649) 11.310 4.768 ( -0.319 -0.184 -5.736) 5.748 4.875 ( 3.337 1.927 -0.417) 3.876 5.148 ( 11.602 6.698 -3.303) 13.798 5.310 ( 21.091 12.177 -6.654) 25.246 5.792 ( -0.608 -0.351 -5.781) 5.823 7.817 ( -3.421 -1.975 1.795) 4.339 7.936 ( 3.297 1.904 3.851) 5.416 8.297 ( 6.220 3.591 -3.858) 8.153 8.666 ( 22.470 12.973 -7.349) 26.967 10.329 ( -25.204 -14.551 9.274) 30.545 10.842 ( -5.457 -3.150 -2.767) 6.882 20.512 ( -2.943 -1.699 0.425) 3.425 20.597 ( 2.189 1.264 1.303) 2.843 20.690 ( -3.303 -1.907 -1.882) 4.253 20.784 ( 0.859 0.496 -0.797) 1.273 24.346 ( -0.091 -0.052 0.576) 0.586 24.368 ( -5.489 -3.169 2.821) 6.937 32.148 ( -1.258 -0.726 0.174) 1.462 32.176 ( -1.007 -0.581 -0.494) 1.263 41.635 ( -0.303 -0.175 -3.684) 3.700 41.707 ( 3.912 2.258 3.969) 6.013 42.006 ( 17.928 10.350 1.684) 20.769 42.731 ( 68.852 39.752 -48.487) 93.122 ======================= Grid point 323 (107/189) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 11.650 6.726 14.875) 20.055 1.143 ( 8.606 4.969 15.305) 18.248 2.827 ( 17.106 9.876 22.021) 29.582 2.830 ( -7.195 -4.154 -13.377) 15.747 3.444 ( 7.539 4.353 -2.838) 9.156 3.751 ( -0.597 -0.345 25.806) 25.816 4.015 ( -11.059 -6.385 0.432) 12.778 4.728 ( -1.946 -1.123 -1.628) 2.775 4.954 ( 3.849 2.222 1.062) 4.570 5.342 ( 7.673 4.430 -10.428) 13.684 5.672 ( 14.710 8.493 -5.396) 17.822 5.772 ( 1.969 1.137 -5.230) 5.703 7.781 ( -0.288 -0.166 2.553) 2.575 8.064 ( 5.648 3.261 5.731) 8.682 8.475 ( 10.804 6.238 -5.759) 13.740 9.067 ( 15.973 9.222 -5.109) 19.139 9.777 ( -27.112 -15.653 11.823) 33.464 10.651 ( -9.640 -5.566 -4.204) 11.899 20.441 ( -3.309 -1.910 0.315) 3.834 20.596 ( -3.810 -2.200 -2.273) 4.952 20.657 ( 2.328 1.344 0.963) 2.855 20.775 ( -1.394 -0.805 -0.463) 1.675 24.297 ( -2.289 -1.321 2.454) 3.607 24.345 ( -0.233 -0.134 0.330) 0.425 32.115 ( -1.658 -0.957 0.152) 1.920 32.156 ( -0.382 -0.221 -1.235) 1.311 41.645 ( 3.256 1.880 -5.777) 6.893 41.870 ( 7.531 4.348 7.590) 11.543 42.490 ( 23.404 13.512 4.253) 27.357 43.624 ( 35.550 20.525 -52.613) 66.733 ======================= Grid point 324 (108/189) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 17.163 9.909 6.699) 20.920 1.480 ( 16.163 9.332 4.748) 19.258 2.661 ( -0.863 -0.498 -12.558) 12.597 3.126 ( 4.657 2.689 15.306) 16.223 3.472 ( -2.402 -1.387 -0.063) 2.774 3.763 ( -11.721 -6.767 2.555) 13.774 4.098 ( 12.792 7.385 18.633) 23.777 4.653 ( -4.805 -2.774 1.697) 5.802 5.060 ( 4.904 2.831 2.456) 6.172 5.373 ( 1.295 0.748 -14.002) 14.082 5.822 ( 4.435 2.560 -6.344) 8.153 5.929 ( 10.600 6.120 -3.191) 12.649 7.836 ( 3.623 2.092 3.719) 5.598 8.241 ( 6.824 3.940 8.558) 11.633 8.666 ( 8.093 4.672 -8.189) 12.426 9.191 ( -16.820 -9.711 14.513) 24.245 9.443 ( 6.522 3.766 -4.275) 8.660 10.393 ( -10.365 -5.984 -5.314) 13.096 20.378 ( -2.286 -1.320 0.409) 2.672 20.511 ( -2.539 -1.466 -1.964) 3.529 20.687 ( -1.133 -0.654 0.298) 1.342 20.730 ( -1.466 -0.846 -0.146) 1.699 24.278 ( -0.449 -0.259 1.535) 1.620 24.339 ( -0.384 -0.222 -0.019) 0.444 32.084 ( -1.045 -0.603 0.210) 1.225 32.143 ( -0.199 -0.115 -1.506) 1.523 41.712 ( 5.342 3.084 -7.083) 9.393 42.100 ( 8.305 4.795 10.486) 14.210 43.070 ( 25.106 14.495 6.795) 29.776 43.911 ( 14.472 8.355 -43.000) 46.133 ======================= Grid point 325 (109/189) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 17.653 10.192 -0.320) 20.387 1.893 ( 19.734 11.394 -2.387) 22.912 2.666 ( 4.538 2.620 -7.799) 9.396 3.266 ( 1.656 0.956 8.823) 9.028 3.391 ( -4.893 -2.825 4.481) 7.211 3.552 ( -7.397 -4.270 4.301) 9.563 4.288 ( -2.962 -1.710 7.334) 8.093 4.535 ( -7.017 -4.051 5.273) 9.667 5.203 ( 6.435 3.715 3.159) 8.074 5.278 ( -2.889 -1.668 -14.746) 15.118 5.884 ( 4.183 2.415 -7.658) 9.054 6.138 ( 8.743 5.048 2.131) 10.318 7.967 ( 5.742 3.315 4.906) 8.248 8.446 ( 6.034 3.484 10.702) 12.770 8.694 ( -1.658 -0.957 -12.478) 12.624 8.886 ( -12.704 -7.334 16.236) 21.881 9.649 ( 10.210 5.894 -4.051) 12.466 10.168 ( -6.800 -3.926 -5.134) 9.381 20.346 ( -0.765 -0.442 0.318) 0.939 20.475 ( 0.238 0.138 -1.101) 1.135 20.609 ( -4.568 -2.637 -0.171) 5.277 20.711 ( -1.211 -0.699 -0.074) 1.400 24.286 ( 0.410 0.237 0.977) 1.086 24.328 ( -0.541 -0.313 -0.313) 0.699 32.074 ( 0.078 0.045 0.363) 0.374 32.130 ( -0.398 -0.230 -1.351) 1.427 41.799 ( 5.498 3.174 -7.586) 9.892 42.328 ( 6.360 3.672 12.409) 14.419 43.659 ( 23.496 13.565 8.364) 28.391 43.901 ( 3.708 2.141 -35.276) 35.535 ======================= Grid point 326 (110/189) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 16.418 9.479 -5.274) 19.678 2.326 ( 20.941 12.090 -7.001) 25.173 2.669 ( -3.650 -2.108 -2.987) 5.166 3.171 ( -10.285 -5.938 0.037) 11.877 3.392 ( -0.471 -0.272 5.985) 6.010 3.533 ( 3.594 2.075 2.829) 5.023 4.121 ( -11.691 -6.750 7.355) 15.373 4.422 ( -5.781 -3.338 11.408) 13.218 5.100 ( -5.858 -3.382 -15.477) 16.890 5.359 ( 6.055 3.496 1.278) 7.107 5.928 ( 3.215 1.856 -7.558) 8.421 6.336 ( 6.208 3.584 7.087) 10.081 8.123 ( 5.018 2.897 4.430) 7.294 8.484 ( -8.859 -5.115 -14.367) 17.637 8.502 ( -6.064 -3.501 10.681) 12.772 8.908 ( 6.266 3.617 16.433) 17.955 9.830 ( 7.759 4.479 -4.069) 9.840 10.025 ( -4.379 -2.528 -5.196) 7.251 20.348 ( 0.978 0.565 -0.038) 1.130 20.504 ( -4.470 -2.581 -0.074) 5.162 20.507 ( 2.650 1.530 -0.415) 3.088 20.667 ( -2.521 -1.455 -0.050) 2.911 24.303 ( 0.688 0.397 0.649) 1.025 24.312 ( -0.709 -0.409 -0.460) 0.939 32.090 ( 1.096 0.632 0.509) 1.364 32.111 ( -0.714 -0.412 -0.948) 1.256 41.867 ( 3.878 2.239 -7.413) 8.661 42.497 ( 2.595 1.498 13.304) 13.637 43.743 ( -2.534 -1.463 -29.712) 29.855 44.192 ( 20.086 11.597 8.473) 24.692 ======================= Grid point 327 (111/189) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( -0.354 -0.204 -7.110) 7.122 2.537 ( 2.577 1.488 -0.359) 2.998 2.747 ( 19.335 11.163 -8.841) 24.013 2.872 ( -14.088 -8.134 -4.647) 16.919 3.328 ( -6.829 -3.943 3.161) 8.496 3.598 ( -1.131 -0.653 -1.222) 1.789 3.989 ( -3.730 -2.154 13.817) 14.473 4.446 ( 0.932 0.538 15.710) 15.747 4.874 ( -6.589 -3.804 -14.294) 16.193 5.484 ( 5.095 2.941 -0.840) 5.942 5.949 ( 2.129 1.229 -7.445) 7.840 6.466 ( 1.378 0.796 8.717) 8.861 8.065 ( -8.118 -4.687 -15.425) 18.050 8.382 ( 3.350 1.934 6.655) 7.697 8.395 ( -7.667 -4.426 11.082) 14.184 9.170 ( 7.942 4.585 13.771) 16.545 9.888 ( -5.448 -3.145 -6.317) 8.915 9.958 ( 5.945 3.433 -4.515) 8.217 20.389 ( 2.704 1.561 -0.595) 3.179 20.418 ( -3.058 -1.765 0.296) 3.543 20.574 ( 3.203 1.849 -0.528) 3.736 20.610 ( -2.421 -1.398 0.523) 2.845 24.292 ( -0.863 -0.498 -0.442) 1.090 24.321 ( 0.608 0.351 0.411) 0.814 32.090 ( -0.830 -0.479 -0.487) 1.075 32.124 ( 1.574 0.909 0.492) 1.883 41.888 ( 1.106 0.638 -6.749) 6.869 42.574 ( -1.883 -1.087 13.234) 13.411 43.493 ( -6.996 -4.039 -25.217) 26.479 44.641 ( 16.354 9.442 7.072) 20.164 ======================= Grid point 328 (112/189) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -13.804 -7.969 2.648) 16.157 2.493 ( -17.215 -9.939 0.964) 19.901 2.703 ( 8.203 4.736 -9.684) 13.546 3.052 ( 6.782 3.916 -15.780) 17.616 3.285 ( 7.267 4.196 10.487) 13.431 3.481 ( -7.422 -4.285 1.348) 8.676 4.055 ( 2.585 1.492 11.148) 11.541 4.410 ( -10.993 -6.347 -2.067) 12.861 4.754 ( -0.775 -0.448 0.565) 1.058 5.583 ( 4.582 2.645 -2.273) 5.758 5.954 ( 1.915 1.106 -7.953) 8.254 6.476 ( -4.440 -2.563 7.893) 9.412 7.853 ( -1.495 -0.863 -14.272) 14.376 8.280 ( -7.711 -4.452 11.234) 14.335 8.510 ( 2.723 1.572 10.279) 10.749 9.334 ( 0.317 0.183 9.009) 9.016 9.726 ( -5.441 -3.141 -6.666) 9.160 10.082 ( 7.783 4.493 -3.634) 9.694 20.375 ( -1.025 -0.592 0.881) 1.476 20.458 ( 3.861 2.229 -1.382) 4.667 20.577 ( -0.725 -0.419 1.466) 1.688 20.630 ( 2.021 1.167 -1.323) 2.682 24.269 ( -0.957 -0.552 -0.267) 1.136 24.333 ( 0.362 0.209 0.213) 0.469 32.072 ( -0.531 -0.307 -0.130) 0.627 32.160 ( 1.398 0.807 0.195) 1.627 41.846 ( -1.921 -1.109 -5.778) 6.189 42.550 ( -6.119 -3.533 12.308) 14.192 43.175 ( -10.591 -6.115 -21.020) 24.318 44.998 ( 12.977 7.493 3.832) 15.467 ======================= Grid point 329 (113/189) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -16.387 -9.461 6.292) 19.941 2.105 ( -19.545 -11.284 7.293) 23.717 2.757 ( 1.417 0.818 -12.431) 12.538 3.058 ( 2.340 1.351 -2.639) 3.777 3.350 ( -4.880 -2.817 5.347) 7.768 3.645 ( 17.800 10.277 1.662) 20.620 4.007 ( -22.244 -12.842 -4.955) 26.158 4.187 ( 4.740 2.737 6.488) 8.488 4.700 ( -4.498 -2.597 -0.024) 5.194 5.669 ( 4.333 2.502 -3.234) 5.957 5.936 ( -0.199 -0.115 -8.987) 8.990 6.340 ( -10.908 -6.298 5.500) 13.743 7.879 ( 7.671 4.429 -8.180) 12.057 8.164 ( -7.792 -4.499 11.017) 14.224 8.588 ( 0.350 0.202 8.121) 8.131 9.267 ( -8.759 -5.057 4.418) 11.037 9.616 ( -1.167 -0.674 -3.490) 3.741 10.278 ( 10.689 6.171 -2.391) 12.572 20.381 ( 0.963 0.556 1.560) 1.916 20.541 ( 4.258 2.458 -2.203) 5.388 20.596 ( 1.528 0.882 2.188) 2.811 20.645 ( 0.048 0.027 -2.338) 2.339 24.247 ( -0.923 -0.533 0.101) 1.071 24.339 ( 0.114 0.066 0.080) 0.155 32.067 ( 0.187 0.108 0.054) 0.222 32.185 ( 0.802 0.463 -0.358) 0.993 41.749 ( -4.150 -2.396 -4.661) 6.685 42.433 ( -9.359 -5.403 10.628) 15.157 42.809 ( -13.150 -7.592 -16.755) 22.612 45.255 ( 9.334 5.389 -2.859) 11.150 ======================= Grid point 334 (114/189) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -0.000 -1.916 20.369) 20.459 1.380 ( -0.000 16.616 24.320) 29.454 2.154 ( -0.000 25.699 35.361) 43.713 3.041 ( 0.000 -7.172 -9.178) 11.648 3.250 ( 0.000 -0.208 -6.999) 7.002 3.966 ( -0.000 -23.407 14.739) 27.661 4.468 ( 0.000 -4.804 -4.522) 6.597 4.670 ( 0.000 -5.955 -0.842) 6.014 4.734 ( -0.000 -3.593 6.381) 7.323 5.063 ( -0.000 20.060 -4.253) 20.505 5.297 ( 0.000 14.220 -7.648) 16.146 5.751 ( 0.000 -1.979 -6.717) 7.002 7.856 ( -0.000 0.651 1.409) 1.552 7.981 ( -0.000 5.870 5.821) 8.267 8.421 ( 0.000 14.130 -9.538) 17.047 8.460 ( -0.000 13.144 -0.822) 13.170 10.426 ( -0.000 -19.421 6.241) 20.399 10.826 ( 0.000 -6.614 -3.105) 7.307 20.531 ( 0.000 -1.655 0.201) 1.667 20.577 ( -0.000 -0.650 1.985) 2.089 20.695 ( 0.000 -2.817 -2.381) 3.689 20.767 ( 0.000 0.147 -0.348) 0.377 24.350 ( -0.000 -0.165 0.636) 0.657 24.380 ( -0.000 -5.676 2.026) 6.026 32.150 ( 0.000 -1.436 0.193) 1.449 32.174 ( 0.000 -1.327 -0.387) 1.383 41.512 ( 0.000 -3.672 -0.291) 3.684 41.748 ( 0.000 6.205 -3.907) 7.333 41.877 ( -0.000 11.803 1.747) 11.932 42.720 ( 0.000 78.669 -33.303) 85.428 ======================= Grid point 335 (115/189) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 7.374 10.792 12.626) 18.173 1.473 ( -16.075 18.293 23.831) 34.073 2.735 ( 11.492 5.320 13.787) 18.720 2.880 ( -1.893 6.133 -0.933) 6.486 3.291 ( 10.046 -0.583 -6.603) 12.036 3.831 ( -2.097 -11.837 17.270) 21.042 4.233 ( -13.751 -0.063 4.997) 14.631 4.559 ( 2.733 -9.657 -2.054) 10.245 5.058 ( 19.136 -2.450 -0.324) 19.295 5.171 ( -5.491 17.706 -1.827) 18.628 5.463 ( 9.911 7.332 -10.629) 16.278 5.718 ( 2.687 0.376 -6.742) 7.267 7.849 ( -3.021 3.147 3.420) 5.544 8.122 ( 2.028 10.506 6.503) 12.521 8.409 ( 0.477 10.250 -6.240) 12.009 8.826 ( 18.105 10.071 -5.238) 21.370 10.092 ( -19.761 -17.647 9.158) 28.032 10.684 ( -5.193 -9.356 -4.409) 11.574 20.487 ( -3.058 -1.005 -0.098) 3.220 20.596 ( 0.514 -2.755 0.603) 2.866 20.635 ( -0.354 -1.542 -1.100) 1.927 20.769 ( 0.225 -1.248 -0.414) 1.334 24.325 ( -1.823 -3.094 2.227) 4.226 24.349 ( -0.167 -0.282 0.439) 0.548 32.126 ( -0.976 -1.609 0.171) 1.889 32.155 ( -0.463 -0.669 -0.862) 1.185 41.567 ( 5.316 -0.378 -0.109) 5.330 41.833 ( 5.386 6.704 -2.336) 8.911 42.196 ( 20.534 11.614 2.236) 23.696 43.347 ( 12.992 54.659 -40.812) 69.441 ======================= Grid point 336 (116/189) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 12.264 17.757 5.522) 22.275 1.553 ( -7.727 18.759 17.919) 27.068 2.594 ( -3.015 -4.417 -14.217) 15.189 3.145 ( 5.818 1.047 12.615) 13.932 3.446 ( 4.946 1.820 -0.941) 5.354 3.816 ( -2.286 -9.951 8.831) 13.499 4.188 ( -0.255 10.177 16.307) 19.224 4.512 ( 5.165 -13.012 -1.338) 14.063 5.182 ( -2.539 10.080 -6.791) 12.417 5.297 ( 4.170 6.242 -1.776) 7.714 5.628 ( 12.640 -2.524 -4.072) 13.517 5.796 ( 6.621 5.830 -9.030) 12.625 7.878 ( -0.840 5.259 5.228) 7.463 8.288 ( 1.543 10.710 7.193) 12.993 8.551 ( 7.600 7.711 -6.384) 12.569 9.163 ( 14.983 5.450 -3.028) 16.228 9.611 ( -23.247 -12.925 10.526) 28.606 10.444 ( -8.035 -10.152 -5.910) 14.232 20.423 ( -3.390 -0.250 0.110) 3.401 20.524 ( -2.578 -2.741 -1.851) 4.194 20.664 ( 2.541 -1.570 0.924) 3.127 20.737 ( -1.557 -2.376 -0.454) 2.877 24.293 ( -0.885 -1.085 1.674) 2.182 24.343 ( -0.337 -0.337 0.078) 0.483 32.095 ( -1.040 -1.087 0.211) 1.519 32.140 ( -0.282 -0.083 -1.293) 1.326 41.652 ( 3.293 4.855 -2.641) 6.434 42.028 ( 10.520 4.152 2.994) 11.699 42.739 ( 27.877 10.377 3.669) 29.971 43.718 ( 6.146 31.511 -37.657) 49.485 ======================= Grid point 337 (117/189) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 5.595 12.169 6.488) 14.882 1.823 ( 9.048 24.519 1.109) 26.159 2.534 ( 6.241 -0.586 -8.965) 10.939 3.271 ( 4.331 -1.019 4.721) 6.487 3.472 ( -3.243 0.157 6.805) 7.540 3.646 ( -8.038 -8.864 6.200) 13.477 4.349 ( -1.532 0.220 6.957) 7.127 4.467 ( 5.374 -12.959 1.148) 14.076 5.181 ( -1.541 4.948 -10.293) 11.524 5.385 ( -3.581 13.693 1.171) 14.202 5.775 ( 7.334 0.657 -5.030) 8.917 5.961 ( 13.501 1.306 -2.570) 13.806 7.971 ( 2.151 4.936 6.106) 8.140 8.466 ( 3.942 7.270 8.730) 12.025 8.657 ( 0.661 3.875 -8.764) 9.605 9.162 ( -17.426 -7.576 15.572) 24.567 9.475 ( 12.106 3.861 -5.368) 13.794 10.193 ( -6.356 -8.124 -6.298) 12.086 20.377 ( -2.422 0.625 0.286) 2.518 20.466 ( -0.595 -1.318 -1.193) 1.874 20.648 ( -3.057 -2.765 -0.176) 4.126 20.696 ( 0.637 -2.677 -0.003) 2.751 24.288 ( 0.049 -0.127 1.123) 1.132 24.332 ( -0.491 -0.333 -0.260) 0.648 32.078 ( -0.324 -0.181 0.363) 0.519 32.129 ( -0.325 0.150 -1.355) 1.402 41.745 ( 2.832 7.176 -4.499) 8.930 42.268 ( 10.902 1.627 7.112) 13.118 43.322 ( 27.342 7.872 2.291) 28.544 43.825 ( -0.077 19.010 -28.849) 34.550 ======================= Grid point 338 (118/189) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 10.575 9.391 -1.115) 14.187 2.211 ( 11.256 22.066 -5.625) 25.401 2.636 ( 5.595 0.510 -1.646) 5.854 3.242 ( -6.243 -5.935 -1.256) 8.706 3.473 ( -4.063 0.969 9.174) 10.080 3.528 ( 0.753 -2.378 5.790) 6.304 4.217 ( -7.220 -10.672 1.714) 12.999 4.446 ( 3.162 -8.938 5.633) 11.028 5.092 ( -5.731 1.889 -13.002) 14.334 5.468 ( -4.839 15.347 2.300) 16.255 5.844 ( 4.177 1.704 -7.799) 9.009 6.219 ( 13.623 0.082 5.886) 14.841 8.098 ( 4.276 2.513 6.394) 8.092 8.509 ( -8.045 -3.361 -14.237) 16.695 8.610 ( -2.304 -0.064 12.367) 12.580 9.019 ( -4.554 4.233 15.847) 17.023 9.678 ( 10.987 2.190 -5.581) 12.516 10.024 ( -2.994 -4.968 -5.907) 8.279 20.358 ( -0.984 1.269 0.083) 1.608 20.471 ( 2.138 0.081 -0.342) 2.166 20.553 ( -4.303 -2.608 -0.287) 5.040 20.670 ( -0.571 -3.163 -0.139) 3.217 24.299 ( 0.544 0.243 0.745) 0.954 24.318 ( -0.651 -0.313 -0.445) 0.849 32.085 ( 0.599 0.673 0.527) 1.044 32.116 ( -0.622 0.139 -1.094) 1.267 41.831 ( 1.759 7.160 -5.137) 8.986 42.478 ( 8.146 -0.878 9.374) 12.450 43.631 ( 1.955 6.013 -23.132) 23.980 43.998 ( 17.594 11.074 2.018) 20.887 ======================= Grid point 339 (119/189) ======================= q-point: ( 0.67 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 12.311 3.567 -7.599) 14.901 2.543 ( 7.454 9.410 -7.505) 14.158 2.651 ( -1.669 6.189 2.186) 6.773 3.010 ( -10.852 -7.212 -2.494) 13.266 3.401 ( -4.579 -4.126 4.062) 7.382 3.609 ( -0.041 3.056 0.455) 3.090 4.042 ( -1.884 -10.002 9.159) 13.692 4.502 ( 4.838 -1.206 11.283) 12.336 4.913 ( -8.982 1.796 -12.818) 15.755 5.534 ( -3.728 11.865 0.049) 12.437 5.875 ( 3.019 0.202 -7.290) 7.893 6.436 ( 7.573 -0.824 8.059) 11.090 8.112 ( -9.334 -1.886 -11.839) 15.194 8.312 ( 3.049 -5.873 4.832) 8.194 8.573 ( -6.805 -0.682 12.078) 13.880 9.191 ( 4.776 8.017 13.754) 16.621 9.809 ( 6.606 -2.225 -7.146) 9.982 9.916 ( -1.530 -1.181 -5.627) 5.950 20.371 ( 0.828 1.651 -0.364) 1.882 20.462 ( -3.484 -1.425 0.062) 3.764 20.525 ( 3.390 0.522 -0.197) 3.436 20.621 ( -1.283 -3.049 0.128) 3.311 24.300 ( -0.819 -0.301 -0.445) 0.979 24.316 ( 0.637 0.292 0.469) 0.843 32.099 ( -0.873 0.023 -0.669) 1.100 32.114 ( 1.177 1.165 0.524) 1.737 41.881 ( -0.399 5.677 -4.894) 7.506 42.610 ( 3.702 -3.061 9.958) 11.056 43.485 ( -8.096 4.123 -22.799) 24.543 44.439 ( 19.992 6.163 4.793) 21.463 ======================= Grid point 340 (120/189) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -2.062 -4.359 -3.801) 6.140 2.431 ( -3.728 -9.571 -1.815) 10.430 2.748 ( -5.731 -3.034 1.195) 6.594 2.936 ( 7.128 19.300 -14.827) 25.360 3.311 ( -2.476 -4.598 7.992) 9.547 3.562 ( -4.644 -0.624 -0.660) 4.732 4.035 ( 2.624 -6.876 8.549) 11.281 4.597 ( -9.150 4.207 5.020) 11.253 4.775 ( 0.409 2.713 -1.690) 3.222 5.579 ( -1.220 7.500 -2.107) 7.885 5.876 ( 2.209 -1.051 -7.153) 7.560 6.526 ( 0.442 -2.990 7.179) 7.789 7.848 ( -7.452 -0.191 -14.216) 16.052 8.352 ( 0.422 -8.238 11.192) 13.903 8.567 ( -1.381 2.639 11.959) 12.325 9.381 ( 1.803 3.857 9.493) 10.404 9.717 ( -3.350 -6.392 -8.201) 10.924 9.970 ( 6.886 3.085 -4.946) 9.022 20.392 ( -0.312 -0.125 -0.233) 0.408 20.433 ( 0.744 2.447 -0.151) 2.562 20.571 ( 1.103 -1.989 0.047) 2.275 20.592 ( 1.615 -0.559 0.003) 1.709 24.280 ( -0.957 -0.284 -0.277) 1.036 24.329 ( 0.476 0.190 0.241) 0.567 32.081 ( -0.868 -0.039 -0.277) 0.912 32.149 ( 1.241 1.160 0.234) 1.715 41.873 ( -3.130 3.480 -4.084) 6.212 42.643 ( -1.274 -4.550 8.926) 10.099 43.235 ( -12.343 2.111 -18.134) 22.038 44.813 ( 16.835 3.447 1.452) 17.245 ======================= Grid point 341 (121/189) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -15.182 -11.576 7.484) 20.506 2.271 ( -7.039 -9.079 -0.426) 11.496 2.693 ( 0.078 1.194 -3.741) 3.928 3.051 ( -0.955 8.243 -12.385) 14.908 3.379 ( 4.205 -2.777 4.543) 6.785 3.540 ( 3.790 7.825 3.826) 9.499 4.024 ( 1.414 -9.325 -1.437) 9.540 4.396 ( -18.117 4.032 6.284) 19.595 4.817 ( -3.578 3.898 2.886) 6.027 5.624 ( 1.563 4.127 -3.400) 5.571 5.855 ( 1.441 -2.761 -7.686) 8.293 6.465 ( -6.459 -5.328 4.444) 9.479 7.776 ( 2.896 4.246 -7.530) 9.117 8.300 ( -4.285 -4.479 10.237) 11.967 8.647 ( -0.219 0.911 11.284) 11.323 9.385 ( -6.091 -2.202 3.879) 7.549 9.568 ( -1.693 -5.656 -6.258) 8.603 10.132 ( 10.546 4.270 -3.576) 11.926 20.393 ( 0.143 1.458 0.929) 1.735 20.491 ( 2.988 2.575 -1.469) 4.209 20.571 ( 1.653 -1.960 0.950) 2.735 20.617 ( 1.632 -0.662 -1.043) 2.047 24.260 ( -0.991 -0.237 0.060) 1.020 24.337 ( 0.239 0.061 0.072) 0.257 32.069 ( -0.358 0.038 -0.012) 0.360 32.176 ( 0.793 0.775 -0.360) 1.166 41.804 ( -5.544 1.470 -2.979) 6.463 42.572 ( -5.839 -5.599 5.905) 10.015 42.935 ( -15.863 1.715 -12.253) 20.117 45.078 ( 12.819 0.851 -4.793) 13.712 ======================= Grid point 347 (122/189) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -0.000 15.675 8.726) 17.940 1.947 ( -0.000 17.029 21.468) 27.402 2.696 ( 0.000 -3.791 0.256) 3.800 3.055 ( 0.000 -9.214 -13.964) 16.730 3.086 ( -0.000 23.197 14.560) 27.388 3.807 ( -0.000 -11.304 14.653) 18.507 4.293 ( 0.000 -7.915 -2.083) 8.185 4.588 ( -0.000 -3.649 3.054) 4.758 4.804 ( -0.000 0.794 12.591) 12.616 5.344 ( 0.000 3.920 -12.594) 13.190 5.437 ( 0.000 15.563 -8.438) 17.704 5.674 ( 0.000 7.717 -4.534) 8.951 7.928 ( -0.000 3.955 1.964) 4.416 8.241 ( -0.000 11.796 10.581) 15.847 8.518 ( 0.000 6.176 -8.900) 10.833 8.724 ( -0.000 15.106 -2.591) 15.327 10.128 ( -0.000 -17.768 6.879) 19.053 10.593 ( 0.000 -12.635 -5.624) 13.830 20.503 ( 0.000 -0.839 -0.993) 1.299 20.574 ( -0.000 -2.137 2.836) 3.551 20.602 ( 0.000 -3.743 -2.662) 4.593 20.753 ( 0.000 -1.316 0.086) 1.319 24.319 ( -0.000 -2.925 1.909) 3.493 24.349 ( -0.000 -0.426 0.326) 0.536 32.118 ( 0.000 -1.836 0.170) 1.844 32.147 ( 0.000 -0.718 -0.897) 1.149 41.512 ( -0.000 2.773 0.907) 2.917 41.856 ( 0.000 9.739 -4.799) 10.858 42.178 ( -0.000 16.000 3.368) 16.350 43.595 ( 0.000 49.439 -35.055) 60.606 ======================= Grid point 348 (123/189) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 8.125 18.847 4.713) 21.058 2.068 ( -14.019 18.556 20.181) 30.791 2.558 ( -6.590 -4.170 -13.264) 15.386 2.976 ( 10.670 -9.355 -8.102) 16.340 3.457 ( 4.261 13.656 14.148) 20.120 3.793 ( 0.770 -8.062 11.966) 14.449 4.228 ( 3.136 -7.780 0.735) 8.420 4.490 ( -7.166 1.653 7.293) 10.357 5.057 ( 14.913 -1.163 7.612) 16.784 5.306 ( 0.211 3.496 -10.470) 11.040 5.482 ( 4.449 1.694 -8.998) 10.180 5.815 ( -0.909 19.849 -4.838) 20.450 7.967 ( -0.647 3.047 4.331) 5.335 8.433 ( -0.569 11.103 8.062) 13.733 8.517 ( 2.498 8.593 -4.692) 10.104 8.973 ( 11.984 10.488 -4.043) 16.431 9.865 ( -15.061 -14.474 8.037) 22.381 10.394 ( -3.825 -13.851 -7.333) 16.132 20.469 ( -2.169 -0.460 -1.064) 2.459 20.526 ( -2.108 -3.007 -1.426) 3.940 20.601 ( 2.793 -2.722 1.598) 4.214 20.733 ( -0.804 -2.116 0.041) 2.264 24.300 ( -0.511 -1.580 1.557) 2.277 24.344 ( -0.190 -0.455 0.036) 0.494 32.097 ( -0.504 -1.377 0.208) 1.481 32.136 ( -0.117 -0.237 -1.145) 1.175 41.625 ( 6.568 4.222 2.452) 8.184 41.938 ( 2.581 9.486 -5.690) 11.359 42.508 ( 16.515 15.320 5.265) 23.134 43.839 ( -0.414 34.682 -31.317) 46.731 ======================= Grid point 349 (124/189) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 8.691 17.141 2.645) 19.400 2.146 ( -10.144 23.173 13.603) 28.722 2.391 ( 1.503 -2.673 -11.068) 11.485 3.079 ( 13.612 -5.810 -6.478) 16.156 3.591 ( -3.371 2.610 12.675) 13.373 3.727 ( -6.437 -7.184 9.172) 13.311 4.221 ( 6.340 -13.099 -0.853) 14.577 4.436 ( -6.053 0.661 0.063) 6.090 5.234 ( -0.113 6.686 -2.064) 6.998 5.427 ( 13.195 1.245 3.871) 13.807 5.577 ( 11.230 -0.053 -4.249) 12.007 5.924 ( -4.152 18.252 -6.957) 19.969 8.014 ( 0.969 0.463 6.330) 6.421 8.517 ( 1.286 7.049 -1.663) 7.356 8.685 ( 1.435 9.611 3.964) 10.495 9.237 ( 11.332 5.994 -3.642) 13.327 9.506 ( -17.160 -8.473 9.935) 21.563 10.150 ( -4.388 -11.987 -8.269) 15.209 20.426 ( -2.041 0.378 -0.486) 2.132 20.461 ( -1.715 -1.791 -1.264) 2.784 20.625 ( 2.236 -3.354 1.114) 4.183 20.682 ( -2.294 -2.771 -0.205) 3.604 24.292 ( -0.106 -0.534 1.146) 1.269 24.335 ( -0.356 -0.363 -0.264) 0.573 32.082 ( -0.261 -0.475 0.352) 0.647 32.128 ( -0.100 0.235 -1.280) 1.305 41.784 ( 2.749 8.136 2.380) 8.911 42.089 ( 10.615 4.160 -4.689) 12.327 43.017 ( 22.767 12.145 6.768) 26.677 43.928 ( -3.919 22.519 -25.833) 34.494 ======================= Grid point 350 (125/189) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 1.882 12.597 2.307) 12.944 2.290 ( 0.995 17.560 -5.735) 18.499 2.512 ( 10.261 6.132 5.332) 13.088 3.208 ( 6.374 -1.445 -6.870) 9.482 3.532 ( -4.182 -9.353 11.862) 15.674 3.634 ( -6.959 3.211 9.231) 11.998 4.185 ( 3.494 -11.402 -1.681) 12.043 4.266 ( -3.067 -10.339 -6.577) 12.631 5.221 ( -7.440 7.459 -3.758) 11.185 5.609 ( 7.015 0.327 -0.459) 7.037 5.819 ( 4.383 10.227 1.676) 11.252 6.016 ( 7.356 7.619 -1.591) 10.710 8.075 ( 3.424 -2.780 7.449) 8.657 8.535 ( -4.161 1.923 -12.364) 13.186 8.749 ( -4.874 3.855 12.139) 13.637 9.259 ( -9.778 1.585 14.242) 17.348 9.471 ( 11.040 1.916 -6.856) 13.136 9.964 ( -1.202 -7.518 -7.601) 10.758 20.400 ( -2.164 1.593 -0.278) 2.701 20.436 ( 1.229 -1.013 -0.384) 1.638 20.592 ( -3.275 -2.696 0.048) 4.242 20.631 ( 0.641 -3.809 0.020) 3.863 24.297 ( 0.380 -0.010 0.786) 0.873 24.323 ( -0.519 -0.229 -0.431) 0.712 32.085 ( 0.430 0.428 0.534) 0.808 32.122 ( -0.336 0.477 -1.161) 1.299 41.896 ( -0.617 10.475 -0.278) 10.497 42.299 ( 13.219 -1.038 -0.720) 13.279 43.511 ( 16.852 9.877 2.452) 19.687 43.923 ( -0.833 12.848 -16.165) 20.666 ======================= Grid point 351 (126/189) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 1.536 8.749 -2.478) 9.222 2.464 ( 7.964 7.304 -6.076) 12.398 2.756 ( 2.457 9.542 6.890) 12.023 3.079 ( -8.786 -7.976 -1.685) 11.985 3.475 ( -5.385 -2.635 2.587) 6.530 3.665 ( 0.057 6.184 5.372) 8.192 3.996 ( -3.976 -9.847 -2.737) 10.967 4.291 ( 15.228 -9.558 0.869) 18.000 5.109 ( -11.641 7.667 -3.288) 14.322 5.701 ( 4.357 -0.501 -0.213) 4.391 5.859 ( -8.201 13.949 -5.937) 17.236 6.285 ( 13.634 -0.570 7.105) 15.385 8.148 ( 3.724 -4.331 6.406) 8.583 8.287 ( -11.639 -4.125 -13.091) 17.996 8.745 ( -6.386 0.285 14.372) 15.729 9.307 ( -0.419 8.299 12.823) 15.280 9.606 ( 9.273 -2.669 -8.795) 13.056 9.876 ( 0.531 -2.763 -6.386) 6.978 20.388 ( -0.965 1.771 -0.365) 2.049 20.465 ( 2.449 -0.677 -0.034) 2.541 20.513 ( -2.918 -1.203 0.123) 3.158 20.598 ( -0.111 -3.796 -0.056) 3.798 24.309 ( -0.698 -0.116 -0.422) 0.824 24.310 ( 0.616 0.140 0.492) 0.801 32.108 ( 0.742 0.909 0.359) 1.227 32.113 ( -0.458 0.560 -0.616) 0.950 41.963 ( -2.505 9.574 -1.644) 10.032 42.480 ( 10.424 -3.873 1.399) 11.208 43.622 ( -9.160 11.118 -11.976) 18.733 44.156 ( 20.191 3.277 1.491) 20.509 ======================= Grid point 352 (127/189) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 1.964 2.816 -5.279) 6.297 2.556 ( -6.759 -0.986 1.102) 6.919 2.715 ( -2.046 -5.811 -0.376) 6.172 3.022 ( 1.122 8.692 0.659) 8.789 3.352 ( -5.797 -2.371 0.678) 6.300 3.648 ( -5.735 4.275 -3.727) 8.066 3.938 ( 3.390 -7.958 3.511) 9.336 4.542 ( 16.927 -2.301 3.978) 17.539 4.970 ( -13.061 9.727 -0.440) 16.291 5.736 ( -1.648 1.804 1.059) 2.663 5.808 ( -4.544 6.645 -7.687) 11.131 6.471 ( 6.358 -3.508 6.212) 9.556 7.945 ( -11.954 0.907 -14.034) 18.457 8.255 ( 6.478 -9.207 10.864) 15.645 8.711 ( -5.690 0.327 13.786) 14.918 9.451 ( 0.791 5.164 7.349) 9.017 9.613 ( 2.808 -6.238 -8.698) 11.066 9.876 ( 3.972 1.877 -5.078) 6.714 20.393 ( -0.139 1.163 -0.740) 1.386 20.459 ( -0.965 0.774 0.481) 1.327 20.518 ( 2.425 -0.980 -0.323) 2.636 20.563 ( 0.267 -2.860 0.340) 2.892 24.293 ( -0.875 -0.034 -0.258) 0.913 24.323 ( 0.583 0.089 0.241) 0.637 32.097 ( -1.062 0.366 -0.428) 1.202 32.141 ( 1.206 1.019 0.312) 1.609 41.977 ( -4.653 7.196 -1.625) 8.722 42.578 ( 5.546 -5.306 0.888) 7.726 43.455 ( -14.680 9.228 -8.718) 19.407 44.523 ( 19.761 0.010 -0.079) 19.762 ======================= Grid point 353 (128/189) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 1.535 0.957 -2.378) 2.988 2.263 ( -17.122 -9.492 6.677) 20.684 2.702 ( -0.291 -2.160 -0.940) 2.374 3.127 ( -1.184 11.542 -7.840) 14.003 3.279 ( 2.241 -5.145 3.503) 6.616 3.629 ( -1.951 7.970 1.145) 8.284 3.902 ( 1.414 -8.723 -1.512) 8.965 4.681 ( -3.368 -4.497 3.070) 6.403 4.921 ( -4.267 13.149 3.222) 14.194 5.694 ( -5.302 3.323 -0.242) 6.262 5.777 ( 0.473 0.295 -6.635) 6.659 6.491 ( -1.047 -6.287 3.087) 7.081 7.788 ( -3.030 5.518 -8.063) 10.229 8.308 ( 2.673 -7.693 10.977) 13.668 8.720 ( -1.429 -0.547 13.321) 13.409 9.413 ( -2.605 -7.095 -7.362) 10.551 9.572 ( -3.426 1.367 0.876) 3.791 9.985 ( 8.393 3.115 -3.731) 9.698 20.401 ( 0.489 1.386 -0.392) 1.521 20.482 ( 1.036 2.444 -0.012) 2.655 20.524 ( 1.163 -2.688 -0.025) 2.929 20.570 ( 2.277 -1.412 0.036) 2.680 24.276 ( -0.984 0.037 0.030) 0.985 24.333 ( 0.405 -0.019 0.036) 0.407 32.081 ( -0.952 0.220 -0.099) 0.982 32.168 ( 0.882 0.638 -0.260) 1.119 41.931 ( -6.832 4.824 -0.829) 8.405 42.567 ( -0.080 -6.169 -1.807) 6.428 43.242 ( -17.435 9.292 -2.832) 19.958 44.799 ( 15.896 -2.574 -5.742) 17.096 ======================= Grid point 360 (129/189) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -0.000 18.593 1.721) 18.673 2.440 ( -0.000 9.669 15.937) 18.640 2.583 ( 0.000 1.143 -6.961) 7.054 2.652 ( 0.000 -10.868 -16.631) 19.868 3.667 ( -0.000 10.226 17.935) 20.646 3.779 ( -0.000 -0.601 10.167) 10.185 4.114 ( 0.000 -10.162 0.242) 10.165 4.608 ( -0.000 0.948 5.940) 6.015 4.935 ( -0.000 -2.567 5.676) 6.229 5.324 ( 0.000 9.367 -6.350) 11.317 5.356 ( 0.000 -3.561 -11.299) 11.846 6.043 ( -0.000 23.485 -2.533) 23.621 7.994 ( -0.000 -2.009 4.112) 4.577 8.525 ( 0.000 4.664 -7.318) 8.678 8.621 ( -0.000 13.530 13.185) 18.892 8.978 ( -0.000 14.770 -4.676) 15.493 9.892 ( -0.000 -13.432 6.538) 14.939 10.234 ( 0.000 -15.853 -9.272) 18.366 20.467 ( 0.000 -1.882 -1.983) 2.734 20.519 ( 0.000 -1.372 -2.122) 2.527 20.554 ( -0.000 -3.074 3.035) 4.320 20.723 ( 0.000 -2.037 0.485) 2.093 24.297 ( -0.000 -1.310 1.334) 1.870 24.341 ( 0.000 -0.452 -0.138) 0.472 32.089 ( 0.000 -1.161 0.237) 1.185 32.128 ( 0.000 -0.155 -1.145) 1.156 41.604 ( -0.000 5.326 -0.120) 5.327 42.038 ( -0.000 11.282 0.920) 11.319 42.540 ( -0.000 16.887 3.357) 17.217 44.009 ( 0.000 28.319 -26.929) 39.079 ======================= Grid point 361 (130/189) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 8.366 16.175 -0.013) 18.210 2.317 ( -3.375 -7.007 -10.293) 12.901 2.592 ( -9.438 13.888 12.343) 20.840 2.735 ( 13.991 -0.777 -8.193) 16.232 3.691 ( -2.051 -8.534 12.022) 14.886 3.886 ( -6.563 9.540 11.918) 16.617 4.029 ( 2.044 -10.647 -0.827) 10.873 4.561 ( -9.269 0.121 -3.171) 9.797 5.066 ( 17.151 -4.275 5.241) 18.437 5.355 ( 9.608 -2.543 -8.841) 13.303 5.415 ( -0.931 12.589 0.654) 12.641 6.199 ( -5.350 20.750 -3.492) 21.711 7.989 ( 1.794 -7.318 6.485) 9.942 8.545 ( 0.365 7.390 -7.743) 10.710 8.824 ( 0.607 11.935 11.961) 16.908 9.144 ( 5.806 11.614 -5.492) 14.098 9.707 ( -10.858 -10.309 7.970) 16.961 10.021 ( -1.138 -14.203 -10.370) 17.623 20.427 ( -0.603 -2.297 -1.430) 2.773 20.486 ( -1.885 0.484 -1.462) 2.435 20.559 ( 2.083 -3.443 1.967) 4.479 20.692 ( -1.558 -2.308 0.437) 2.819 24.292 ( -0.033 -0.724 1.058) 1.283 24.334 ( -0.175 -0.308 -0.333) 0.486 32.081 ( -0.051 -0.558 0.345) 0.658 32.123 ( 0.117 0.213 -1.181) 1.206 41.733 ( 8.788 4.660 0.097) 9.948 42.113 ( -3.955 11.189 0.922) 11.903 42.855 ( 15.070 13.769 5.334) 21.098 44.090 ( -3.905 20.890 -21.952) 30.554 ======================= Grid point 362 (131/189) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 7.131 13.319 0.653) 15.122 2.240 ( 5.323 -2.875 -7.801) 9.872 2.661 ( -4.248 13.552 12.127) 18.675 2.960 ( 15.378 3.416 -7.758) 17.559 3.590 ( -5.659 -10.876 11.221) 16.620 3.879 ( -9.509 7.622 10.639) 16.178 3.952 ( 3.367 -12.859 -1.797) 13.413 4.304 ( -12.024 -3.767 -12.845) 17.993 5.328 ( 10.700 -2.056 2.763) 11.240 5.430 ( 1.273 2.194 -3.554) 4.367 5.642 ( 16.830 6.398 4.569) 18.575 6.240 ( -9.020 17.791 -4.494) 20.447 7.988 ( 4.052 -10.292 8.278) 13.815 8.564 ( -2.118 5.841 -10.983) 12.619 8.960 ( -4.582 8.286 12.358) 15.569 9.299 ( 6.537 4.984 -8.245) 11.643 9.494 ( -9.357 -4.075 11.559) 15.420 9.845 ( 0.411 -8.481 -9.565) 12.790 20.404 ( 0.740 -1.407 -0.534) 1.677 20.453 ( -2.341 1.391 -0.923) 2.876 20.565 ( 1.669 -3.679 0.943) 4.148 20.631 ( -2.995 -2.384 0.162) 3.831 24.294 ( 0.263 -0.277 0.766) 0.856 24.326 ( -0.339 -0.110 -0.430) 0.559 32.084 ( 0.404 0.093 0.504) 0.653 32.124 ( 0.080 0.601 -1.103) 1.259 41.952 ( 10.179 4.188 2.295) 11.243 42.158 ( -1.295 8.895 -2.451) 9.317 43.303 ( 20.114 8.507 7.156) 22.982 44.064 ( -7.691 15.082 -16.434) 23.594 ======================= Grid point 363 (132/189) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -1.404 10.569 0.257) 10.665 2.327 ( 9.438 0.193 -4.260) 10.357 2.827 ( 3.396 6.684 10.210) 12.667 3.123 ( -1.165 -0.316 -6.820) 6.926 3.502 ( 1.703 -4.000 11.123) 11.942 3.826 ( -7.039 6.386 6.196) 11.346 3.912 ( 6.695 -13.726 -6.300) 16.520 4.028 ( -6.911 -0.312 -8.849) 11.232 5.359 ( -9.002 6.771 2.443) 11.526 5.500 ( 11.006 -5.190 -5.205) 13.235 6.021 ( 16.398 2.396 7.310) 18.112 6.208 ( -9.628 13.596 -4.467) 17.249 8.018 ( 6.390 -10.889 9.569) 15.842 8.412 ( -11.765 1.155 -15.137) 19.206 8.961 ( -8.724 2.890 15.091) 17.669 9.377 ( 7.453 -2.560 -11.244) 13.730 9.471 ( -2.154 4.624 12.334) 13.347 9.783 ( 2.947 -1.972 -7.711) 8.488 20.417 ( 1.769 -0.751 0.130) 1.927 20.429 ( -1.559 1.685 -0.635) 2.381 20.548 ( -1.411 -2.428 0.571) 2.866 20.561 ( -1.100 -2.689 -0.256) 2.917 24.303 ( 0.546 -0.090 0.486) 0.737 24.316 ( -0.518 0.057 -0.387) 0.649 32.102 ( 0.998 0.491 0.569) 1.249 32.124 ( -0.322 0.793 -0.851) 1.207 42.118 ( -1.892 9.515 3.504) 10.314 42.250 ( 10.276 -0.403 -4.220) 11.116 43.729 ( 15.822 6.156 5.861) 17.961 43.979 ( -5.741 8.916 -10.760) 15.108 ======================= Grid point 364 (133/189) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( -4.764 7.532 -0.405) 8.921 2.485 ( 9.913 1.130 -2.972) 10.410 2.855 ( -15.272 -5.259 1.614) 16.232 2.985 ( 5.037 -5.981 5.722) 9.690 3.499 ( -7.867 2.915 2.540) 8.766 3.768 ( -2.932 -1.845 -11.260) 11.781 3.874 ( -3.562 7.362 2.645) 8.595 4.170 ( 22.810 -3.551 1.737) 23.150 5.270 ( -10.909 7.861 3.283) 13.841 5.592 ( 8.474 -4.683 -4.736) 10.778 6.094 ( -12.878 10.995 -1.946) 17.045 6.313 ( 11.590 -3.572 4.542) 12.951 8.091 ( 7.047 -8.977 9.504) 14.852 8.109 ( -13.200 0.344 -13.002) 18.532 8.907 ( -8.465 0.130 15.377) 17.553 9.372 ( 5.092 -7.282 -13.065) 15.800 9.587 ( 0.909 6.617 9.398) 11.530 9.803 ( 3.652 1.397 -6.064) 7.215 20.415 ( -1.252 1.495 -0.541) 2.024 20.449 ( 2.164 -0.800 0.223) 2.318 20.503 ( -1.326 -0.321 0.260) 1.389 20.533 ( 0.183 -2.624 -0.054) 2.631 24.306 ( -0.711 0.172 -0.223) 0.765 24.314 ( 0.642 -0.098 0.226) 0.688 32.117 ( -0.892 0.754 -0.461) 1.255 32.129 ( 1.286 0.459 0.358) 1.411 42.143 ( -5.906 8.462 1.231) 10.393 42.395 ( 9.750 -3.648 -2.559) 10.720 43.784 ( -14.423 12.522 -2.310) 19.240 44.163 ( 20.790 -2.566 -0.905) 20.968 ======================= Grid point 365 (134/189) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( -2.783 7.305 1.640) 7.988 2.516 ( -17.790 -5.997 3.390) 19.077 2.623 ( 6.434 0.226 -2.394) 6.869 3.048 ( 7.835 -8.799 2.822) 12.115 3.393 ( -9.595 5.717 0.129) 11.170 3.720 ( 1.883 2.000 -4.714) 5.456 3.849 ( -5.632 3.320 -0.050) 6.538 4.484 ( 15.175 -6.233 -2.057) 16.534 5.209 ( -8.775 10.829 6.085) 15.209 5.639 ( 4.745 -4.063 -4.711) 7.824 5.955 ( -12.362 7.365 -0.561) 14.400 6.410 ( 4.313 -7.395 1.926) 8.774 7.888 ( -7.464 5.559 -9.491) 13.292 8.195 ( 7.557 -8.244 11.441) 15.999 8.849 ( -6.631 -1.722 15.033) 16.521 9.277 ( 1.969 -9.406 -14.037) 17.011 9.674 ( -2.476 5.536 3.690) 7.099 9.878 ( 5.987 2.759 -3.204) 7.330 20.411 ( -0.360 1.477 -0.463) 1.589 20.480 ( 2.032 -0.045 0.269) 2.050 20.490 ( -0.370 -0.863 -0.137) 0.949 20.524 ( 1.353 -1.221 0.153) 1.829 24.294 ( -0.878 0.250 0.025) 0.913 24.324 ( 0.567 -0.182 -0.002) 0.596 32.104 ( -1.278 0.543 -0.116) 1.394 32.154 ( 1.120 0.071 -0.113) 1.128 42.107 ( -7.371 6.033 1.166) 9.596 42.459 ( 4.473 -4.994 -3.434) 7.533 43.636 ( -16.672 12.629 1.610) 20.977 44.446 ( 18.187 -4.726 -5.476) 19.573 ======================= Grid point 373 (135/189) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -0.000 12.969 -2.558) 13.219 2.170 ( 0.000 -12.350 -12.258) 17.400 2.650 ( -0.000 10.105 -2.825) 10.492 2.822 ( -0.000 5.844 11.380) 12.793 3.663 ( -0.000 -9.978 8.560) 13.147 3.904 ( 0.000 -10.625 -0.802) 10.655 4.167 ( -0.000 14.965 11.671) 18.978 4.714 ( -0.000 2.544 4.429) 5.107 4.800 ( 0.000 -7.310 -6.107) 9.525 5.179 ( 0.000 -2.611 -8.372) 8.769 5.563 ( -0.000 11.893 3.461) 12.386 6.415 ( -0.000 17.220 -3.189) 17.512 7.907 ( -0.000 -12.687 8.111) 15.058 8.578 ( 0.000 9.222 -9.236) 13.052 8.985 ( -0.000 10.635 8.419) 13.564 9.204 ( -0.000 12.717 -2.123) 12.893 9.747 ( -0.000 -9.157 7.569) 11.880 9.822 ( 0.000 -14.040 -12.157) 18.572 20.400 ( 0.000 -2.257 -1.598) 2.765 20.503 ( 0.000 1.227 -1.785) 2.166 20.518 ( -0.000 -3.459 2.417) 4.220 20.688 ( -0.000 -2.145 0.713) 2.261 24.291 ( -0.000 -0.640 0.897) 1.102 24.332 ( 0.000 -0.146 -0.410) 0.435 32.078 ( -0.000 -0.358 0.382) 0.524 32.118 ( 0.000 0.351 -1.088) 1.143 41.695 ( 0.000 5.217 -2.330) 5.714 42.299 ( -0.000 8.941 10.155) 13.530 42.863 ( -0.000 13.384 0.227) 13.386 44.213 ( 0.000 17.729 -16.779) 24.411 ======================= Grid point 374 (136/189) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 9.800 10.871 -0.464) 14.644 2.067 ( 5.027 -5.630 -6.506) 9.964 2.785 ( 5.091 8.366 -2.344) 10.070 2.882 ( -1.881 2.615 8.312) 8.915 3.598 ( -1.300 -9.418 7.423) 12.062 3.794 ( -0.453 -10.294 -2.204) 10.537 4.242 ( -12.255 12.695 10.724) 20.648 4.441 ( -14.950 -2.950 -10.461) 18.483 5.015 ( 17.125 -5.066 -2.625) 18.051 5.288 ( 15.025 1.576 2.218) 15.269 5.660 ( -1.910 8.819 1.786) 9.199 6.499 ( -5.367 13.684 -3.917) 15.212 7.846 ( 3.249 -14.410 9.686) 17.665 8.610 ( -1.596 8.776 -10.891) 14.078 9.111 ( 1.807 6.561 1.463) 6.960 9.303 ( -2.627 8.154 1.568) 8.709 9.591 ( -4.266 -8.128 0.512) 9.193 9.719 ( 0.783 -6.115 -2.204) 6.547 20.377 ( 0.342 -1.334 -0.819) 1.602 20.492 ( -1.179 0.599 -0.612) 1.457 20.512 ( 1.053 -2.289 0.772) 2.635 20.654 ( -1.928 -2.102 0.549) 2.905 24.291 ( 0.167 -0.454 0.687) 0.840 24.328 ( -0.158 0.052 -0.425) 0.457 32.080 ( 0.257 -0.094 0.460) 0.535 32.121 ( 0.288 0.670 -0.954) 1.201 41.801 ( 8.191 3.742 -2.398) 9.319 42.365 ( -6.787 8.356 9.234) 14.182 43.106 ( 14.286 7.475 1.236) 16.170 44.257 ( -5.264 15.234 -10.792) 19.397 ======================= Grid point 375 (137/189) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 9.062 -1.877 -1.912) 9.450 2.326 ( 7.139 10.791 1.874) 13.074 2.870 ( -0.731 -3.357 8.554) 9.218 3.004 ( 11.690 6.231 -7.370) 15.158 3.519 ( -3.219 -7.216 10.124) 12.842 3.667 ( 0.778 -11.305 -4.724) 12.277 4.074 ( -14.280 -2.801 -1.530) 14.632 4.241 ( -11.847 15.570 -2.092) 19.676 5.195 ( 14.610 -6.035 -5.850) 16.855 5.537 ( 0.631 3.589 6.913) 7.814 5.775 ( 13.013 2.621 1.448) 13.353 6.475 ( -8.626 10.572 -4.371) 14.328 7.843 ( 6.166 -13.076 10.517) 17.878 8.534 ( -8.499 4.316 -13.704) 16.693 9.171 ( 4.017 -1.443 -8.379) 9.403 9.248 ( -9.895 1.514 9.203) 13.597 9.563 ( 1.624 0.659 5.533) 5.804 9.697 ( 1.545 1.089 -3.235) 3.747 20.381 ( 1.374 -0.560 0.023) 1.484 20.473 ( -1.665 1.142 -0.517) 2.085 20.511 ( 0.934 -2.103 0.232) 2.313 20.593 ( -3.067 -1.757 0.258) 3.544 24.295 ( 0.431 -0.336 0.451) 0.709 24.323 ( -0.321 0.212 -0.348) 0.518 32.091 ( 0.798 0.024 0.504) 0.945 32.129 ( 0.201 0.950 -0.723) 1.211 41.989 ( 11.906 1.135 -2.292) 12.177 42.362 ( -7.195 7.948 5.917) 12.246 43.444 ( 19.319 0.499 2.146) 19.444 44.227 ( -10.036 13.870 -4.754) 17.768 ======================= Grid point 376 (138/189) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 10.721 -0.632 -0.833) 10.772 2.454 ( -3.514 9.159 0.625) 9.830 2.835 ( 2.995 -12.754 4.152) 13.744 3.063 ( -10.159 0.345 -3.886) 10.882 3.575 ( 12.173 -8.770 -5.314) 15.917 3.608 ( 1.462 0.664 7.143) 7.322 3.890 ( 0.790 -1.999 0.534) 2.214 4.193 ( -12.812 17.520 -1.405) 21.750 5.341 ( 12.514 -5.038 -5.390) 14.527 5.515 ( -8.074 4.977 4.905) 10.678 6.057 ( 15.982 -3.860 2.800) 16.678 6.376 ( -10.792 7.064 -3.466) 13.356 7.910 ( 8.366 -9.832 10.974) 16.943 8.288 ( -13.718 1.914 -14.350) 19.944 9.140 ( 3.770 -6.596 -12.202) 14.374 9.153 ( -9.374 -0.005 12.801) 15.867 9.658 ( 3.733 2.559 5.874) 7.415 9.741 ( 1.523 4.780 -3.696) 6.231 20.407 ( 1.983 -0.432 0.411) 2.071 20.455 ( -1.779 1.499 -0.454) 2.370 20.506 ( 0.497 -1.502 -0.015) 1.582 20.532 ( -2.440 -0.940 0.097) 2.617 24.302 ( 0.620 -0.337 0.208) 0.736 24.317 ( -0.500 0.314 -0.188) 0.620 32.111 ( 1.237 -0.130 0.385) 1.303 32.135 ( -0.369 1.009 -0.390) 1.143 42.174 ( 11.244 -1.684 -2.474) 11.635 42.341 ( -6.880 6.619 3.888) 10.308 43.770 ( 20.702 -4.175 0.042) 21.119 44.149 ( -13.445 13.393 0.439) 18.982 ======================= Grid point 377 (139/189) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 6.474 0.841 -5.477) 8.521 2.449 ( -2.508 6.027 5.477) 8.521 2.803 ( 6.288 -12.880 -0.896) 14.361 2.803 ( -14.298 -0.994 0.896) 14.361 3.594 ( 4.466 -4.621 -5.658) 8.563 3.594 ( -6.235 1.557 5.658) 8.563 4.124 ( 15.066 -2.328 -0.537) 15.254 4.124 ( -9.549 11.884 0.537) 15.254 5.459 ( 7.807 -2.540 -6.501) 10.472 5.459 ( -6.103 5.491 6.501) 10.472 6.223 ( -11.432 3.825 -0.728) 12.077 6.223 ( 9.029 -7.988 0.728) 12.077 8.036 ( -10.200 4.406 -11.092) 15.700 8.036 ( 8.916 -6.630 11.092) 15.700 9.055 ( 3.510 -9.189 -15.777) 18.592 9.055 ( -9.713 -1.554 15.777) 18.592 9.785 ( 3.418 3.544 -6.446) 8.112 9.785 ( 1.360 4.732 6.446) 8.112 20.439 ( -1.381 1.433 -0.193) 1.999 20.439 ( 1.931 -0.480 0.193) 1.999 20.501 ( -0.027 -0.480 -0.259) 0.546 20.501 ( -0.402 -0.263 0.259) 0.546 24.310 ( 0.659 -0.399 -0.024) 0.771 24.310 ( -0.675 0.371 0.024) 0.771 32.131 ( 0.515 -0.102 -0.055) 0.527 32.131 ( -0.345 0.395 0.055) 0.527 42.295 ( 6.432 -3.153 -3.325) 7.898 42.295 ( -5.947 3.994 3.325) 7.898 44.049 ( 18.876 -5.985 -4.278) 20.259 44.049 ( -14.621 13.355 4.278) 20.259 ======================= Grid point 387 (140/189) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -0.000 0.112 1.631) 1.635 2.038 ( -0.000 9.468 -0.392) 9.476 2.806 ( 0.000 5.828 -3.814) 6.965 2.926 ( -0.000 -4.440 6.647) 7.993 3.553 ( -0.000 -6.990 5.097) 8.651 3.711 ( 0.000 -6.776 -3.397) 7.580 4.540 ( -0.000 13.418 2.519) 13.653 4.606 ( 0.000 -7.577 2.296) 7.917 4.684 ( 0.000 -3.682 -9.563) 10.247 5.173 ( -0.000 4.286 4.291) 6.065 5.757 ( -0.000 5.044 0.856) 5.116 6.634 ( 0.000 9.194 -4.155) 10.090 7.726 ( -0.000 -14.570 10.931) 18.214 8.664 ( 0.000 9.976 -11.353) 15.114 9.089 ( 0.000 -1.739 -9.645) 9.800 9.456 ( -0.000 8.904 8.291) 12.167 9.533 ( 0.000 -0.773 -8.891) 8.925 9.677 ( -0.000 -7.324 9.058) 11.649 20.361 ( 0.000 -0.473 -0.655) 0.808 20.472 ( -0.000 -3.172 1.204) 3.393 20.521 ( 0.000 2.077 -0.968) 2.292 20.654 ( 0.000 -1.947 0.478) 2.005 24.287 ( -0.000 -0.517 0.557) 0.760 24.328 ( 0.000 0.211 -0.387) 0.440 32.079 ( -0.000 -0.160 0.428) 0.457 32.120 ( 0.000 0.841 -0.754) 1.130 41.757 ( 0.000 3.560 -2.215) 4.193 42.566 ( -0.000 3.612 16.893) 17.275 43.022 ( 0.000 5.458 -6.118) 8.199 44.409 ( 0.000 14.907 -5.135) 15.767 ======================= Grid point 388 (141/189) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 2.003 3.445 4.302) 5.864 2.270 ( 12.133 10.150 5.971) 16.908 2.846 ( 5.146 -1.424 -7.052) 8.846 2.876 ( -1.321 -6.313 4.313) 7.759 3.532 ( 0.123 -4.086 5.932) 7.204 3.596 ( -3.895 -5.718 -5.353) 8.747 4.266 ( -15.690 -5.429 -5.259) 17.416 4.601 ( -10.378 14.544 3.707) 18.248 4.835 ( 16.708 -6.751 -7.113) 19.373 5.406 ( 15.107 3.360 7.290) 17.107 5.765 ( -2.515 1.647 -0.104) 3.008 6.642 ( -4.571 5.592 -4.679) 8.605 7.688 ( 3.995 -11.833 11.343) 16.871 8.643 ( -6.144 6.564 -12.787) 15.631 9.002 ( 2.802 -6.462 -13.745) 15.445 9.488 ( -6.085 1.544 3.911) 7.396 9.538 ( 0.169 4.019 2.211) 4.591 9.697 ( 2.255 0.286 6.650) 7.028 20.363 ( 0.527 0.351 0.058) 0.636 20.458 ( 1.093 -2.342 0.296) 2.601 20.527 ( -1.312 2.023 -0.301) 2.429 20.621 ( -1.920 -1.625 0.116) 2.518 24.287 ( 0.252 -0.534 0.383) 0.704 24.328 ( -0.143 0.320 -0.299) 0.461 32.082 ( 0.393 -0.252 0.401) 0.616 32.130 ( 0.378 1.066 -0.504) 1.238 41.834 ( 6.646 1.733 -1.567) 7.045 42.592 ( -7.755 2.886 12.005) 14.581 43.155 ( 14.022 -1.118 -2.731) 14.329 44.489 ( -5.747 14.445 -0.318) 15.550 ======================= Grid point 389 (142/189) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 5.464 2.396 2.664) 6.534 2.534 ( 4.784 3.575 3.558) 6.951 2.722 ( -4.298 -10.712 -0.414) 11.550 3.035 ( 14.588 2.505 -2.811) 15.066 3.391 ( -5.976 -7.616 -2.233) 9.934 3.582 ( 3.838 0.446 3.913) 5.499 3.976 ( -10.841 -3.567 -2.114) 11.607 4.566 ( -11.694 14.248 0.756) 18.448 5.020 ( 16.231 -5.335 -5.917) 18.081 5.670 ( 0.519 2.032 8.027) 8.297 5.768 ( 10.867 -2.750 -1.130) 11.266 6.554 ( -7.328 2.351 -4.388) 8.859 7.749 ( 7.239 -7.231 10.938) 14.978 8.449 ( -11.843 1.469 -13.957) 18.364 8.933 ( 3.725 -5.339 -14.470) 15.867 9.391 ( -9.267 -2.046 11.994) 15.294 9.597 ( 3.860 1.572 -2.648) 4.938 9.792 ( 0.949 5.999 4.857) 7.777 20.382 ( 1.073 0.325 0.555) 1.251 20.466 ( 1.314 -0.302 -0.381) 1.401 20.514 ( -2.014 1.130 0.247) 2.323 20.568 ( -2.723 -0.802 -0.206) 2.846 24.289 ( 0.499 -0.572 0.182) 0.780 24.326 ( -0.288 0.376 -0.164) 0.501 32.091 ( 0.874 -0.470 0.322) 1.043 32.145 ( 0.215 1.152 -0.203) 1.190 41.973 ( 9.586 -0.842 -1.130) 9.689 42.533 ( -7.357 2.463 6.075) 9.853 43.390 ( 18.242 -6.168 0.262) 19.259 44.495 ( -10.491 13.747 3.111) 17.571 ======================= Grid point 400 (143/189) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -0.000 10.920 16.424) 19.723 2.224 ( -0.000 6.597 5.015) 8.286 2.723 ( 0.000 -6.124 -9.073) 10.946 2.834 ( 0.000 -7.368 1.055) 7.443 3.526 ( -0.000 -2.244 4.446) 4.980 3.561 ( 0.000 -3.560 -7.021) 7.872 4.435 ( -0.000 -9.413 3.672) 10.104 4.457 ( 0.000 -4.823 -14.721) 15.491 4.832 ( -0.000 9.768 -0.080) 9.768 5.345 ( -0.000 5.855 7.057) 9.169 5.793 ( -0.000 -0.932 1.366) 1.654 6.687 ( 0.000 1.292 -5.161) 5.320 7.613 ( -0.000 -8.217 11.492) 14.127 8.714 ( 0.000 7.315 -12.289) 14.301 8.815 ( 0.000 -9.527 -14.881) 17.670 9.498 ( 0.000 3.328 -6.821) 7.590 9.636 ( -0.000 -6.853 9.474) 11.693 9.738 ( -0.000 9.186 9.073) 12.911 20.372 ( -0.000 1.735 0.440) 1.790 20.424 ( 0.000 -2.156 -0.124) 2.159 20.561 ( -0.000 2.224 0.303) 2.245 20.623 ( 0.000 -1.360 -0.303) 1.393 24.280 ( -0.000 -0.665 0.275) 0.719 24.331 ( 0.000 0.365 -0.233) 0.433 32.077 ( -0.000 -0.403 0.287) 0.495 32.135 ( -0.000 1.200 -0.240) 1.224 41.787 ( -0.000 0.796 -0.218) 0.825 42.768 ( -0.000 -2.743 19.907) 20.095 42.956 ( 0.000 -2.612 -10.525) 10.844 44.684 ( -0.000 14.172 2.689) 14.424 ======================= Grid point 401 (144/189) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -4.549 4.906 7.781) 10.262 2.440 ( 1.831 -8.428 1.737) 8.798 2.749 ( 1.153 4.611 3.773) 6.068 2.775 ( 12.113 -3.492 -0.092) 12.606 3.435 ( -5.777 -3.243 -6.295) 9.139 3.545 ( 2.241 -0.756 0.752) 2.482 4.117 ( -12.410 -5.498 -2.344) 13.774 4.634 ( 17.203 -7.414 -4.825) 19.344 4.830 ( -5.897 6.874 -3.212) 9.610 5.528 ( 9.886 2.688 4.577) 11.221 5.779 ( -2.060 -0.580 4.680) 5.146 6.622 ( -3.637 -2.173 -5.190) 6.700 7.653 ( 4.397 -3.063 10.633) 11.907 8.548 ( -8.433 -3.613 -13.786) 16.560 8.766 ( 3.638 -0.888 -13.316) 13.832 9.486 ( -0.716 -1.039 -2.470) 2.773 9.587 ( -2.738 -4.203 7.110) 8.701 9.880 ( 0.465 9.099 6.445) 11.160 20.385 ( -0.297 0.892 0.528) 1.079 20.433 ( 2.116 0.567 -0.219) 2.202 20.565 ( -2.096 1.220 0.672) 2.517 20.598 ( -1.426 -0.204 -0.572) 1.550 24.277 ( 0.281 -0.757 0.130) 0.818 24.332 ( -0.114 0.362 -0.145) 0.407 32.077 ( 0.373 -0.527 0.197) 0.675 32.150 ( 0.366 1.242 0.023) 1.295 41.835 ( 5.334 -1.148 0.742) 5.506 42.690 ( -7.891 -3.056 5.478) 10.081 43.053 ( 14.233 -7.808 2.547) 16.432 44.786 ( -5.894 13.309 4.501) 15.236 ======================= Grid point 413 (145/189) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 0.000 -11.446 -2.631) 11.744 2.460 ( -0.000 -8.916 6.027) 10.762 2.595 ( -0.000 3.205 2.704) 4.193 2.834 ( -0.000 8.991 10.396) 13.745 3.452 ( 0.000 4.095 -10.390) 11.168 3.488 ( 0.000 -5.175 0.542) 5.204 4.249 ( 0.000 -0.691 -13.275) 13.293 4.291 ( -0.000 -13.223 8.900) 15.940 4.860 ( 0.000 -2.232 -8.681) 8.963 5.521 ( -0.000 5.451 5.581) 7.801 5.827 ( -0.000 0.568 7.925) 7.945 6.583 ( 0.000 -6.077 -5.821) 8.416 7.663 ( -0.000 2.104 10.001) 10.220 8.476 ( 0.000 -9.701 -13.846) 16.907 8.683 ( 0.000 2.174 -11.568) 11.770 9.445 ( 0.000 -3.031 -5.197) 6.017 9.612 ( -0.000 -4.597 7.771) 9.029 10.009 ( -0.000 10.957 5.672) 12.338 20.390 ( 0.000 -0.602 -1.114) 1.266 20.436 ( -0.000 3.742 1.514) 4.037 20.599 ( 0.000 -0.089 -1.348) 1.351 20.608 ( -0.000 1.510 1.534) 2.152 24.267 ( 0.000 -0.887 0.044) 0.888 24.336 ( 0.000 0.304 -0.118) 0.326 32.070 ( 0.000 -0.419 0.074) 0.425 32.160 ( -0.000 1.249 0.231) 1.270 41.783 ( -0.000 -2.327 2.381) 3.329 42.734 ( 0.000 -7.996 -11.402) 13.926 42.858 ( -0.000 -9.199 19.638) 21.686 44.987 ( -0.000 12.458 4.876) 13.378 ======================= Grid point 480 (146/189) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -0.000 -0.000 25.686) 25.686 1.220 ( -0.000 -0.000 25.686) 25.686 2.038 ( -0.000 -0.000 40.918) 40.918 3.136 ( 0.000 0.000 -10.268) 10.268 3.136 ( 0.000 0.000 -10.268) 10.268 4.448 ( -0.000 -0.000 1.178) 1.178 4.448 ( -0.000 -0.000 1.178) 1.178 4.646 ( 0.000 0.000 -13.433) 13.433 4.832 ( -0.000 -0.000 8.245) 8.245 4.932 ( 0.000 -0.000 -0.645) 0.645 4.932 ( 0.000 0.000 -0.645) 0.645 5.734 ( 0.000 0.000 -7.353) 7.353 7.916 ( -0.000 -0.000 3.085) 3.085 7.916 ( -0.000 -0.000 3.085) 3.085 8.255 ( 0.000 0.000 -1.986) 1.986 8.255 ( 0.000 0.000 -1.986) 1.986 10.667 ( -0.000 -0.000 1.017) 1.017 10.879 ( 0.000 0.000 -2.661) 2.661 20.574 ( -0.000 -0.000 1.314) 1.314 20.574 ( -0.000 -0.000 1.314) 1.314 20.736 ( 0.000 0.000 -1.351) 1.351 20.736 ( 0.000 0.000 -1.351) 1.351 24.355 ( -0.000 -0.000 0.848) 0.848 24.455 ( 0.000 0.000 -0.840) 0.840 32.166 ( -0.000 -0.000 0.247) 0.247 32.193 ( 0.000 0.000 -0.233) 0.233 41.648 ( -0.000 -0.000 0.354) 0.354 41.648 ( -0.000 0.000 0.354) 0.354 41.704 ( 0.000 -0.000 -0.579) 0.579 41.704 ( 0.000 -0.000 -0.579) 0.579 ======================= Grid point 481 (147/189) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -4.786 -2.763 24.599) 25.212 1.374 ( -4.957 -2.862 26.581) 27.190 2.601 ( 24.885 14.367 32.683) 43.519 2.879 ( -9.891 -5.711 -14.935) 18.801 3.228 ( 6.610 3.816 -9.184) 11.942 4.199 ( -16.239 -9.376 16.938) 25.269 4.257 ( -9.246 -5.338 2.014) 10.864 4.649 ( 3.669 2.118 -9.082) 10.022 4.862 ( 3.194 1.844 -0.916) 3.801 5.074 ( 7.453 4.303 -6.372) 10.708 5.241 ( 18.341 10.589 -2.483) 21.323 5.687 ( -0.130 -0.075 -7.690) 7.691 7.857 ( -3.186 -1.840 3.290) 4.936 8.010 ( 4.311 2.489 5.674) 7.548 8.234 ( 4.789 2.765 -4.179) 6.932 8.575 ( 19.840 11.454 -5.123) 23.475 10.440 ( -19.551 -11.288 5.706) 23.285 10.793 ( -6.181 -3.569 -3.457) 7.931 20.522 ( -3.223 -1.861 0.923) 3.835 20.620 ( 1.980 1.143 1.730) 2.867 20.660 ( -3.655 -2.110 -1.965) 4.656 20.770 ( 1.031 0.595 -1.163) 1.665 24.357 ( -0.275 -0.158 0.742) 0.807 24.395 ( -3.887 -2.244 0.894) 4.576 32.152 ( -1.296 -0.748 0.224) 1.514 32.170 ( -1.436 -0.829 -0.273) 1.680 41.584 ( -1.914 -1.105 -2.787) 3.557 41.770 ( 6.617 3.820 4.075) 8.659 42.026 ( 19.519 11.269 0.938) 22.558 42.199 ( 42.971 24.809 -23.818) 55.039 ======================= Grid point 482 (148/189) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 4.966 2.867 19.313) 20.147 1.425 ( -0.143 -0.082 20.567) 20.568 2.593 ( -6.792 -3.921 -16.973) 18.698 3.158 ( 8.997 5.194 16.683) 19.653 3.375 ( 9.636 5.563 -2.258) 11.353 4.057 ( -10.341 -5.970 4.393) 12.723 4.134 ( 1.700 0.982 23.213) 23.296 4.672 ( 1.078 0.622 -5.410) 5.551 4.946 ( 4.935 2.849 -1.665) 5.937 5.161 ( 4.479 2.586 -12.795) 13.801 5.597 ( 15.039 8.683 -4.073) 17.837 5.674 ( 2.538 1.465 -7.413) 7.971 7.838 ( 0.137 0.079 4.760) 4.763 8.174 ( 6.841 3.949 8.239) 11.414 8.385 ( 9.619 5.554 -5.798) 12.529 8.978 ( 17.982 10.382 -6.423) 21.734 9.955 ( -25.661 -14.815 10.976) 31.598 10.578 ( -10.524 -6.076 -5.073) 13.169 20.450 ( -3.397 -1.961 0.894) 4.023 20.563 ( -3.786 -2.186 -2.010) 4.812 20.674 ( 1.834 1.059 1.190) 2.429 20.763 ( -1.138 -0.657 -1.129) 1.733 24.328 ( -2.436 -1.406 1.585) 3.229 24.351 ( -0.512 -0.296 0.338) 0.681 32.117 ( -1.655 -0.955 0.205) 1.922 32.141 ( -0.864 -0.499 -0.766) 1.257 41.568 ( 1.942 1.121 -4.109) 4.681 41.990 ( 9.798 5.657 7.784) 13.733 42.548 ( 25.434 14.685 3.362) 29.561 42.925 ( 33.096 19.108 -37.962) 53.866 ======================= Grid point 483 (149/189) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 10.123 5.845 9.854) 15.289 1.592 ( 7.852 4.534 10.005) 13.502 2.465 ( 2.966 1.713 -12.288) 12.756 3.295 ( 2.381 1.375 0.573) 2.809 3.513 ( 0.328 0.189 10.730) 10.737 3.838 ( -11.439 -6.604 6.716) 14.818 4.374 ( 5.104 2.947 16.544) 17.562 4.633 ( -1.942 -1.121 -4.699) 5.206 5.066 ( 6.395 3.692 -1.439) 7.524 5.151 ( 0.903 0.521 -14.110) 14.149 5.713 ( 4.140 2.390 -7.626) 9.000 5.894 ( 13.271 7.662 -1.041) 15.359 7.914 ( 3.925 2.266 6.163) 7.650 8.393 ( 8.139 4.699 10.762) 14.288 8.538 ( 5.693 3.287 -8.257) 10.554 9.303 ( 12.691 7.327 -4.040) 15.201 9.474 ( -20.669 -11.933 12.084) 26.751 10.304 ( -10.476 -6.048 -6.180) 13.584 20.388 ( -2.417 -1.395 0.921) 2.939 20.485 ( -2.122 -1.225 -1.369) 2.807 20.687 ( -2.153 -1.243 -0.359) 2.511 20.725 ( -0.651 -0.376 -0.364) 0.836 24.300 ( -0.786 -0.454 1.287) 1.575 24.338 ( -0.622 -0.359 -0.130) 0.730 32.088 ( -0.967 -0.558 0.329) 1.164 32.123 ( -0.357 -0.206 -1.116) 1.190 41.619 ( 4.401 2.541 -4.715) 6.933 42.264 ( 9.922 5.729 10.556) 15.579 43.164 ( 26.665 15.395 5.705) 31.314 43.286 ( 17.462 10.082 -37.156) 42.275 ======================= Grid point 484 (150/189) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 12.786 7.382 0.735) 14.782 1.864 ( 13.821 7.980 -0.536) 15.968 2.572 ( 8.102 4.678 -3.903) 10.137 3.291 ( -2.314 -1.336 -4.556) 5.281 3.541 ( -2.902 -1.675 13.057) 13.480 3.643 ( -8.152 -4.706 7.064) 11.769 4.417 ( -6.459 -3.729 9.397) 11.997 4.560 ( -2.282 -1.317 -2.461) 3.606 5.053 ( -3.203 -1.849 -13.724) 14.213 5.209 ( 6.818 3.936 -2.060) 8.138 5.774 ( 4.329 2.499 -6.429) 8.143 6.191 ( 12.034 6.948 4.564) 14.626 8.061 ( 5.572 3.217 6.709) 9.296 8.503 ( -4.266 -2.463 -11.754) 12.745 8.626 ( 6.070 3.505 12.196) 14.067 9.139 ( -12.341 -7.125 16.323) 21.668 9.565 ( 11.100 6.409 -6.772) 14.496 10.080 ( -6.397 -3.693 -6.209) 9.650 20.353 ( -1.075 -0.621 0.614) 1.385 20.464 ( 0.702 0.405 -0.328) 0.874 20.601 ( -4.380 -2.529 -0.874) 5.132 20.708 ( -1.286 -0.742 -0.277) 1.510 24.300 ( 0.161 0.093 0.906) 0.925 24.322 ( -0.661 -0.382 -0.440) 0.881 32.081 ( 0.163 0.094 0.539) 0.571 32.111 ( -0.283 -0.164 -1.092) 1.140 41.703 ( 4.895 2.826 -4.666) 7.330 42.520 ( 7.289 4.208 12.264) 14.875 43.370 ( 7.005 4.044 -32.779) 33.762 43.770 ( 24.085 13.906 6.303) 28.517 ======================= Grid point 485 (151/189) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 13.160 7.598 -4.313) 15.796 2.187 ( 17.007 9.819 -9.850) 21.970 2.668 ( -0.838 -0.484 2.599) 2.773 3.127 ( -10.001 -5.774 -5.072) 12.613 3.512 ( -4.698 -2.712 8.459) 10.049 3.580 ( -0.284 -0.164 2.812) 2.831 4.282 ( -8.372 -4.833 12.761) 16.009 4.536 ( 0.605 0.350 2.770) 2.857 4.881 ( -5.608 -3.238 -11.945) 13.588 5.338 ( 5.907 3.410 -3.629) 7.726 5.829 ( 2.953 1.705 -5.092) 6.128 6.449 ( 7.634 4.407 7.296) 11.442 8.113 ( -6.620 -3.822 -9.200) 11.962 8.368 ( 1.857 1.072 2.779) 3.510 8.691 ( -6.035 -3.484 13.314) 15.027 9.148 ( 4.960 2.864 14.549) 15.636 9.744 ( 8.098 4.675 -7.047) 11.709 9.931 ( -4.708 -2.718 -6.925) 8.804 20.349 ( 0.588 0.339 0.147) 0.694 20.499 ( -4.094 -2.364 -0.511) 4.755 20.504 ( 2.617 1.511 0.092) 3.023 20.665 ( -2.253 -1.301 -0.219) 2.610 24.304 ( -0.707 -0.408 -0.515) 0.965 24.313 ( 0.508 0.294 0.595) 0.836 32.098 ( -0.457 -0.264 -0.792) 0.952 32.099 ( 1.083 0.625 0.620) 1.395 41.778 ( 3.533 2.040 -4.124) 5.801 42.702 ( 2.862 1.653 12.927) 13.343 43.291 ( 0.359 0.207 -28.214) 28.217 44.292 ( 19.824 11.445 4.655) 23.360 ======================= Grid point 486 (152/189) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 6.464 3.732 -6.979) 10.218 2.488 ( 14.561 8.407 -19.645) 25.858 2.594 ( -5.417 -3.127 6.828) 9.260 2.848 ( -10.571 -6.103 -0.711) 12.227 3.437 ( -4.918 -2.840 8.557) 10.271 3.575 ( -1.754 -1.012 -2.011) 2.854 4.220 ( -3.856 -2.227 15.564) 16.188 4.533 ( -5.026 -2.902 -5.927) 8.296 4.780 ( 2.102 1.214 3.895) 4.590 5.438 ( 5.111 2.951 -4.776) 7.592 5.846 ( 1.050 0.606 -5.419) 5.553 6.590 ( 1.446 0.835 7.288) 7.477 7.821 ( -8.937 -5.160 -15.152) 18.333 8.528 ( 5.743 3.316 11.295) 13.098 8.590 ( -8.210 -4.740 13.904) 16.829 9.360 ( 5.779 3.337 10.754) 12.657 9.775 ( -5.760 -3.326 -8.289) 10.628 9.867 ( 6.720 3.880 -7.240) 10.613 20.380 ( 2.161 1.248 -0.558) 2.557 20.422 ( -2.575 -1.487 0.203) 2.980 20.567 ( 2.687 1.551 -0.432) 3.133 20.617 ( -1.804 -1.042 0.429) 2.127 24.285 ( -0.764 -0.441 -0.374) 0.958 24.326 ( 0.467 0.270 0.332) 0.634 32.083 ( -0.569 -0.328 -0.398) 0.768 32.131 ( 1.397 0.807 0.373) 1.656 41.810 ( 0.925 0.534 -3.292) 3.461 42.775 ( -2.202 -1.271 12.599) 12.853 43.110 ( -4.344 -2.508 -23.895) 24.416 44.701 ( 15.380 8.880 1.011) 17.788 ======================= Grid point 493 (153/189) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -0.000 -10.968 23.922) 26.316 1.753 ( -0.000 14.936 23.920) 28.200 2.687 ( -0.000 16.521 31.178) 35.285 2.858 ( 0.000 -3.843 -12.143) 12.737 3.090 ( 0.000 -1.022 -13.549) 13.588 4.172 ( -0.000 -17.615 12.690) 21.710 4.385 ( 0.000 -4.734 -7.417) 8.799 4.650 ( 0.000 0.505 -0.744) 0.899 4.856 ( -0.000 -0.243 8.214) 8.217 4.995 ( -0.000 17.319 -4.637) 17.929 5.180 ( 0.000 8.916 -7.170) 11.441 5.634 ( 0.000 -1.696 -8.253) 8.426 7.891 ( -0.000 -0.094 2.984) 2.986 8.080 ( -0.000 9.123 6.857) 11.412 8.294 ( 0.000 9.650 -7.224) 12.055 8.434 ( -0.000 12.942 -2.571) 13.195 10.504 ( 0.000 -15.703 4.162) 16.245 10.773 ( 0.000 -7.768 -3.746) 8.624 20.538 ( 0.000 -2.660 0.760) 2.767 20.610 ( -0.000 -0.028 2.279) 2.279 20.660 ( 0.000 -3.457 -2.261) 4.131 20.757 ( 0.000 0.804 -0.973) 1.262 24.361 ( -0.000 -0.418 0.773) 0.879 24.399 ( 0.000 -3.894 0.505) 3.927 32.153 ( 0.000 -1.490 0.229) 1.508 32.170 ( 0.000 -1.669 -0.240) 1.686 41.516 ( 0.000 -3.244 0.729) 3.325 41.693 ( 0.000 4.193 -3.062) 5.193 41.900 ( -0.000 13.529 1.291) 13.591 42.362 ( -0.000 55.098 -15.662) 57.281 ======================= Grid point 494 (154/189) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 5.207 -0.571 19.244) 19.944 1.841 ( -16.656 15.631 23.571) 32.823 2.581 ( -8.376 -6.199 -17.305) 20.200 3.074 ( 9.526 -3.457 -5.889) 11.721 3.256 ( 14.676 14.603 18.040) 27.461 4.067 ( -2.165 -12.172 12.905) 17.872 4.308 ( -1.311 -1.239 2.457) 3.048 4.547 ( -3.299 -3.454 2.112) 5.223 5.026 ( 3.559 5.224 -4.326) 7.660 5.132 ( -0.366 16.970 -3.727) 17.379 5.323 ( 14.949 1.624 -6.065) 16.214 5.603 ( 2.389 0.937 -7.960) 8.363 7.911 ( -1.415 3.482 4.678) 6.001 8.233 ( 0.096 11.823 6.279) 13.387 8.315 ( 2.687 9.032 -4.536) 10.458 8.743 ( 16.884 11.191 -5.811) 21.073 10.220 ( -16.388 -16.644 7.542) 24.545 10.608 ( -5.613 -10.914 -5.269) 13.356 20.491 ( -2.681 -2.014 0.580) 3.403 20.582 ( -2.694 -3.396 -1.859) 4.717 20.646 ( 2.280 -0.755 1.788) 2.994 20.758 ( -0.058 -0.602 -1.030) 1.194 24.351 ( -1.625 -2.723 1.157) 3.376 24.356 ( -0.338 -0.604 0.444) 0.822 32.129 ( -0.975 -1.631 0.198) 1.910 32.145 ( -0.746 -1.145 -0.484) 1.449 41.572 ( 1.586 2.600 0.939) 3.187 41.789 ( 12.226 1.781 -3.511) 12.845 42.236 ( 19.796 14.552 3.156) 24.771 42.852 ( 7.165 48.372 -24.230) 54.574 ======================= Grid point 495 (155/189) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 8.367 8.983 11.782) 17.015 1.835 ( -14.103 15.876 17.565) 27.559 2.365 ( -0.215 -1.594 -14.369) 14.459 3.156 ( 10.516 -5.114 -9.501) 15.067 3.586 ( 1.813 4.780 16.666) 17.432 3.956 ( -6.774 -9.081 9.308) 14.662 4.398 ( 7.501 -1.416 6.997) 10.355 4.478 ( -0.057 -7.463 -1.013) 7.531 5.050 ( -1.541 7.445 -7.583) 10.738 5.270 ( -1.827 18.109 -2.675) 18.396 5.581 ( 13.121 -1.516 -2.882) 13.519 5.660 ( 10.453 3.528 -7.414) 13.292 7.969 ( -0.463 5.953 6.444) 8.785 8.369 ( 5.193 6.369 -0.879) 8.265 8.499 ( 4.084 11.267 3.490) 12.482 9.085 ( 16.288 7.661 -6.745) 19.222 9.786 ( -21.419 -13.919 11.603) 28.056 10.345 ( -8.018 -11.466 -6.873) 15.588 20.430 ( -2.935 -1.001 0.714) 3.183 20.498 ( -2.357 -2.477 -1.534) 3.747 20.680 ( 1.665 -1.538 1.075) 2.509 20.725 ( -1.601 -1.866 -1.116) 2.700 24.315 ( -1.024 -1.221 1.222) 2.008 24.343 ( -0.545 -0.591 -0.050) 0.805 32.099 ( -0.966 -1.034 0.292) 1.444 32.123 ( -0.511 -0.378 -0.865) 1.073 41.622 ( -0.685 7.799 -1.070) 7.902 42.057 ( 18.996 -2.030 0.118) 19.105 42.794 ( 25.528 13.712 3.560) 29.196 43.230 ( 5.410 34.101 -24.845) 42.537 ======================= Grid point 496 (156/189) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 7.051 11.197 4.618) 14.015 1.877 ( -4.649 17.267 4.535) 18.448 2.433 ( 10.288 4.357 -3.077) 11.589 3.216 ( 6.249 -3.096 -8.964) 11.357 3.660 ( -3.676 0.165 14.179) 14.649 3.774 ( -9.701 -8.072 9.564) 15.835 4.377 ( 0.410 -11.219 -4.144) 11.967 4.474 ( 6.134 -10.010 -0.103) 11.741 5.041 ( -5.438 7.373 -5.696) 10.787 5.388 ( -5.575 20.678 -1.599) 21.476 5.666 ( 5.800 1.086 -7.986) 9.929 5.977 ( 19.900 1.381 3.708) 20.290 8.076 ( 2.168 5.368 7.298) 9.316 8.459 ( 1.252 0.186 -8.775) 8.865 8.676 ( 1.926 9.136 10.269) 13.879 9.358 ( 10.783 2.501 -3.402) 11.581 9.414 ( -14.066 -5.785 10.619) 18.550 10.088 ( -5.462 -8.754 -7.257) 12.614 20.384 ( -2.335 0.008 0.606) 2.413 20.453 ( -0.009 -1.007 -0.466) 1.110 20.640 ( -3.591 -2.365 -0.917) 4.396 20.696 ( 0.552 -2.551 -0.012) 2.610 24.304 ( -0.147 -0.309 0.969) 1.027 24.327 ( -0.622 -0.448 -0.423) 0.875 32.085 ( -0.219 -0.106 0.526) 0.580 32.110 ( -0.328 0.070 -1.024) 1.077 41.694 ( 0.392 8.864 -1.941) 9.082 42.350 ( 17.671 -3.758 2.549) 18.245 43.239 ( 6.902 17.022 -14.337) 23.301 43.556 ( 18.148 17.110 -3.165) 25.142 ======================= Grid point 497 (157/189) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 4.472 7.711 -0.021) 8.914 2.123 ( 7.809 19.438 -5.182) 21.579 2.650 ( 6.911 4.876 3.191) 9.040 3.168 ( -3.955 -4.267 -7.580) 9.555 3.602 ( -6.771 -5.336 8.028) 11.780 3.648 ( -4.340 -0.666 7.104) 8.352 4.244 ( 1.132 -15.086 1.552) 15.208 4.485 ( 8.567 -8.866 -0.912) 12.362 4.940 ( -10.537 6.464 -5.393) 13.487 5.462 ( -6.884 19.077 -3.247) 20.539 5.738 ( 5.944 -0.307 -5.227) 7.921 6.322 ( 15.062 1.247 6.916) 16.620 8.163 ( -4.214 0.919 -2.649) 5.062 8.345 ( -0.867 -3.072 -2.203) 3.879 8.811 ( -1.838 1.291 13.190) 13.380 9.255 ( -5.101 2.592 14.496) 15.585 9.570 ( 11.310 1.916 -8.400) 14.218 9.921 ( -2.601 -5.190 -7.294) 9.322 20.361 ( -1.082 0.787 0.284) 1.368 20.471 ( 2.286 0.101 0.272) 2.304 20.545 ( -4.139 -2.087 -0.765) 4.698 20.667 ( -0.643 -3.016 -0.282) 3.097 24.310 ( -0.670 -0.297 -0.542) 0.911 24.310 ( 0.373 0.087 0.671) 0.773 32.095 ( 0.566 0.637 0.611) 1.048 32.101 ( -0.379 0.243 -0.805) 0.923 41.776 ( 0.327 8.110 -1.954) 8.349 42.583 ( 13.456 -5.816 2.794) 14.923 43.291 ( -5.831 15.145 -17.856) 24.129 44.053 ( 22.439 8.689 4.086) 24.407 ======================= Grid point 498 (158/189) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 7.882 2.850 -6.306) 10.489 2.397 ( 7.097 16.368 -9.836) 20.372 2.730 ( -4.860 3.113 7.126) 9.170 2.948 ( -9.574 -6.115 -4.703) 12.295 3.497 ( -3.524 -6.473 7.057) 10.204 3.598 ( -3.304 0.332 -2.312) 4.046 4.174 ( 3.485 -13.511 7.158) 15.683 4.617 ( 12.454 -2.252 3.045) 13.017 4.783 ( -12.914 7.678 -2.501) 15.231 5.501 ( -5.321 14.523 -4.387) 16.077 5.788 ( 3.250 -1.457 -3.536) 5.019 6.553 ( 7.576 -0.877 6.777) 10.202 7.890 ( -12.941 -3.136 -14.521) 19.702 8.453 ( 7.781 -3.489 11.412) 14.247 8.782 ( -7.453 -1.040 14.288) 16.148 9.381 ( 3.360 6.179 10.656) 12.768 9.678 ( 6.206 -3.918 -9.643) 12.118 9.814 ( -0.892 0.344 -7.430) 7.491 20.366 ( 0.450 1.164 -0.246) 1.272 20.461 ( -3.059 -0.895 -0.128) 3.190 20.524 ( 2.965 0.284 0.062) 2.979 20.622 ( -0.864 -2.762 0.006) 2.894 24.293 ( -0.745 -0.198 -0.429) 0.882 24.322 ( 0.497 0.160 0.394) 0.654 32.090 ( -0.631 0.132 -0.551) 0.848 32.122 ( 1.039 1.056 0.531) 1.573 41.831 ( -1.229 6.292 -1.462) 6.576 42.706 ( 7.789 -7.794 0.123) 11.020 43.201 ( -10.720 11.625 -11.493) 19.549 44.482 ( 18.943 4.721 1.116) 19.555 ======================= Grid point 506 (159/189) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -0.000 4.423 15.751) 16.360 2.277 ( -0.000 14.642 21.117) 25.696 2.551 ( 0.000 -3.695 -14.698) 15.155 2.796 ( 0.000 -11.078 -19.100) 22.080 3.421 ( -0.000 19.705 24.202) 31.210 4.038 ( -0.000 -12.692 15.220) 19.818 4.241 ( 0.000 -3.915 -5.520) 6.768 4.635 ( -0.000 -1.236 3.283) 3.507 5.010 ( -0.000 2.692 13.471) 13.737 5.142 ( 0.000 1.940 -13.264) 13.405 5.282 ( 0.000 10.016 -11.412) 15.184 5.609 ( -0.000 13.532 -3.850) 14.069 7.970 ( -0.000 3.895 3.267) 5.083 8.384 ( 0.000 7.250 -8.310) 11.028 8.409 ( -0.000 14.466 10.928) 18.130 8.666 ( 0.000 14.429 -4.866) 15.227 10.228 ( -0.000 -17.103 6.095) 18.156 10.497 ( 0.000 -14.885 -6.798) 16.364 20.494 ( 0.000 -2.155 -0.143) 2.160 20.563 ( 0.000 -3.720 -2.434) 4.445 20.619 ( -0.000 -1.813 2.936) 3.451 20.750 ( 0.000 -0.609 -0.566) 0.831 24.342 ( -0.000 -2.651 1.074) 2.860 24.354 ( 0.000 -0.824 0.253) 0.861 32.120 ( 0.000 -1.836 0.185) 1.846 32.136 ( 0.000 -1.214 -0.543) 1.330 41.525 ( -0.000 2.365 0.292) 2.383 41.822 ( -0.000 10.970 1.147) 11.030 42.220 ( -0.000 17.053 1.862) 17.154 43.149 ( 0.000 44.972 -23.275) 50.638 ======================= Grid point 507 (160/189) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 7.558 9.910 10.808) 16.497 2.315 ( -10.605 0.705 -15.417) 18.726 2.384 ( -11.978 13.086 18.478) 25.615 2.780 ( 15.785 -8.796 -15.766) 23.981 3.729 ( 0.546 10.934 18.608) 21.589 3.985 ( -1.315 -10.756 12.450) 16.505 4.200 ( 4.292 -7.309 -3.917) 9.337 4.563 ( -8.229 -0.996 0.829) 8.330 5.164 ( -0.752 12.201 -1.936) 12.377 5.188 ( 15.826 -4.871 4.151) 17.071 5.336 ( 8.360 1.418 -9.352) 12.623 5.741 ( -4.506 21.734 -4.731) 22.695 8.043 ( 1.581 3.288 5.386) 6.506 8.375 ( -1.212 7.154 -7.914) 10.737 8.628 ( 1.553 14.549 11.284) 18.477 8.891 ( 11.498 10.944 -6.514) 17.159 9.990 ( -12.420 -14.653 8.079) 20.838 10.269 ( -3.645 -16.006 -8.771) 18.612 20.459 ( -1.464 -1.635 -0.277) 2.212 20.499 ( -1.863 -2.666 -1.795) 3.715 20.633 ( 1.956 -2.668 2.273) 4.014 20.729 ( -1.194 -1.394 -0.533) 1.911 24.321 ( -0.545 -1.628 1.083) 2.030 24.343 ( -0.290 -0.770 -0.131) 0.833 32.101 ( -0.446 -1.308 0.268) 1.408 32.121 ( -0.247 -0.603 -0.775) 1.013 41.660 ( 10.389 2.988 1.143) 10.870 41.882 ( -3.984 11.922 -0.703) 12.590 42.593 ( 19.422 16.046 5.874) 25.869 43.422 ( -0.646 35.347 -22.687) 42.006 ======================= Grid point 508 (161/189) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 7.867 12.506 6.545) 16.160 2.150 ( -3.994 6.742 -11.363) 13.803 2.437 ( -5.718 14.110 15.347) 21.617 2.916 ( 16.216 -4.441 -13.403) 21.502 3.818 ( -5.303 1.481 14.892) 15.878 3.890 ( -6.398 -8.586 11.236) 15.521 4.181 ( 6.046 -11.525 -3.983) 13.611 4.352 ( -7.899 -7.017 -10.102) 14.618 5.242 ( -5.890 11.233 3.224) 13.086 5.418 ( 11.801 -1.276 -5.490) 13.078 5.590 ( 21.203 2.169 6.027) 22.149 5.816 ( -6.593 21.149 -7.171) 23.285 8.126 ( 1.714 0.842 8.055) 8.279 8.408 ( 1.429 4.940 -9.331) 10.654 8.828 ( -0.602 11.885 11.226) 16.359 9.142 ( 12.328 6.224 -8.026) 15.972 9.677 ( -15.141 -9.089 11.486) 21.067 10.011 ( -3.262 -13.299 -9.726) 16.796 20.423 ( -1.337 -0.404 0.123) 1.402 20.443 ( -1.287 -1.464 -1.036) 2.207 20.643 ( 1.357 -3.375 1.201) 3.831 20.675 ( -2.697 -2.130 -0.711) 3.509 24.308 ( -0.222 -0.704 0.939) 1.195 24.329 ( -0.443 -0.497 -0.455) 0.806 32.089 ( -0.145 -0.388 0.504) 0.652 32.111 ( -0.163 0.079 -0.962) 0.979 41.836 ( -1.638 10.993 4.347) 11.934 42.008 ( 14.363 1.972 -5.819) 15.622 43.141 ( 21.905 12.919 9.559) 27.168 43.576 ( -2.188 25.214 -19.553) 31.982 ======================= Grid point 509 (162/189) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 0.408 10.062 3.412) 10.633 2.191 ( 2.980 12.529 -6.060) 14.233 2.643 ( 4.558 13.633 10.343) 17.709 3.060 ( 8.862 -0.482 -11.563) 14.576 3.724 ( -8.550 -8.829 12.541) 17.559 3.782 ( -7.675 0.329 7.834) 10.972 4.093 ( -2.548 -10.296 -8.798) 13.780 4.172 ( 9.326 -14.302 -5.365) 17.897 5.212 ( -10.715 9.498 2.333) 14.508 5.555 ( 10.409 -3.006 -5.261) 12.044 5.801 ( -9.920 21.179 -3.857) 23.703 6.060 ( 20.542 1.553 5.933) 21.438 8.205 ( 2.355 -1.477 8.498) 8.941 8.339 ( -5.919 -1.334 -11.451) 12.959 8.949 ( -2.952 6.285 12.762) 14.528 9.332 ( 11.052 1.032 -9.140) 14.378 9.481 ( -9.164 0.289 12.447) 15.459 9.834 ( 0.404 -7.819 -9.076) 11.986 20.397 ( -1.966 1.023 -0.080) 2.218 20.434 ( 1.706 -0.878 0.163) 1.925 20.589 ( -3.833 -1.967 -0.422) 4.329 20.631 ( 0.524 -3.890 0.031) 3.925 24.308 ( 0.241 -0.194 0.700) 0.765 24.315 ( -0.533 -0.194 -0.561) 0.798 32.095 ( 0.482 0.435 0.713) 0.964 32.106 ( -0.231 0.502 -0.925) 1.077 41.909 ( -4.168 12.515 1.910) 13.329 42.259 ( 17.187 -2.805 -4.396) 17.960 43.511 ( -4.158 18.278 -3.568) 19.081 43.773 ( 19.145 7.837 -1.747) 20.761 ======================= Grid point 510 (163/189) ======================= q-point: ( 0.75 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( -2.509 7.946 -0.392) 8.342 2.379 ( 7.377 10.236 -4.703) 13.465 2.877 ( 0.368 10.587 8.475) 13.566 3.000 ( -5.823 -3.259 -7.586) 10.103 3.560 ( -8.761 -6.800 6.932) 13.078 3.664 ( -6.272 0.411 -5.685) 8.475 4.002 ( 4.718 -11.347 4.063) 12.943 4.272 ( 18.821 -7.158 -2.806) 20.331 5.115 ( -12.971 9.691 3.542) 16.574 5.646 ( 6.800 -2.476 -6.339) 9.620 5.799 ( -10.118 16.878 -2.073) 19.787 6.391 ( 14.060 -1.452 6.335) 15.489 8.032 ( -14.475 -1.292 -13.521) 19.850 8.335 ( 7.204 -6.915 11.595) 15.302 8.970 ( -6.588 0.992 14.346) 15.817 9.421 ( 6.158 -2.819 -7.279) 9.942 9.512 ( 1.416 4.882 5.579) 7.547 9.764 ( 1.694 -1.810 -7.756) 8.142 20.383 ( -1.052 1.367 -0.230) 1.740 20.467 ( 2.257 -0.777 0.298) 2.406 20.513 ( -2.721 -0.690 -0.085) 2.808 20.596 ( -0.029 -3.677 -0.166) 3.681 24.302 ( -0.637 0.024 -0.449) 0.780 24.317 ( 0.482 -0.031 0.430) 0.647 32.100 ( -0.554 0.627 -0.668) 1.070 32.118 ( 0.939 0.837 0.650) 1.416 41.959 ( -4.276 10.543 1.075) 11.428 42.453 ( 12.440 -4.514 -4.643) 14.024 43.491 ( -12.030 15.655 -5.040) 20.377 44.180 ( 20.992 1.269 1.851) 21.112 ======================= Grid point 519 (164/189) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -0.000 10.179 5.725) 11.679 2.340 ( 0.000 -13.138 -18.889) 23.008 2.444 ( 0.000 7.007 -10.079) 12.275 2.729 ( -0.000 10.733 16.702) 19.853 3.929 ( -0.000 -4.552 8.420) 9.572 3.966 ( -0.000 5.873 19.808) 20.660 4.079 ( 0.000 -7.524 -5.102) 9.091 4.693 ( -0.000 2.039 4.727) 5.148 4.922 ( 0.000 -7.355 -5.095) 8.947 5.179 ( 0.000 -2.111 -11.077) 11.277 5.338 ( -0.000 12.951 6.581) 14.527 5.995 ( -0.000 23.365 -3.538) 23.631 8.064 ( -0.000 0.532 4.351) 4.383 8.410 ( 0.000 4.153 -6.851) 8.012 8.794 ( -0.000 12.649 5.403) 13.755 8.911 ( -0.000 16.196 -0.166) 16.196 9.995 ( -0.000 -13.148 6.773) 14.790 10.077 ( 0.000 -18.048 -11.113) 21.195 20.443 ( 0.000 -2.774 -1.265) 3.049 20.488 ( 0.000 -1.017 -1.689) 1.972 20.600 ( -0.000 -3.260 2.886) 4.354 20.726 ( 0.000 -1.406 0.026) 1.407 24.315 ( -0.000 -1.398 0.985) 1.710 24.337 ( 0.000 -0.695 -0.345) 0.776 32.094 ( 0.000 -1.065 0.323) 1.113 32.113 ( 0.000 -0.441 -0.834) 0.943 41.585 ( 0.000 4.535 -1.921) 4.925 42.136 ( -0.000 13.548 11.600) 17.836 42.567 ( -0.000 16.771 -0.166) 16.772 43.647 ( 0.000 30.736 -19.665) 36.489 ======================= Grid point 520 (165/189) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 9.964 10.842 2.681) 14.967 2.126 ( -0.456 -3.869 -12.447) 13.042 2.591 ( 10.817 6.156 -9.706) 15.784 2.817 ( -8.368 9.935 15.025) 19.861 3.866 ( -0.184 -12.989 8.742) 15.658 3.983 ( 1.810 -9.755 -5.216) 11.209 4.077 ( -8.205 8.930 11.971) 17.040 4.476 ( -16.598 -3.771 -5.589) 17.915 5.104 ( 17.361 -5.051 -2.547) 18.260 5.269 ( 17.284 1.301 0.478) 17.339 5.465 ( -3.007 12.188 4.809) 13.443 6.133 ( -6.503 21.198 -4.914) 22.711 8.101 ( 2.818 -4.961 7.554) 9.466 8.412 ( -0.382 5.939 -8.405) 10.299 8.957 ( 4.937 9.208 -0.460) 10.458 9.090 ( 0.196 14.179 3.907) 14.709 9.806 ( -5.084 -14.369 -2.318) 15.417 9.873 ( -3.740 -10.855 -1.751) 11.614 20.408 ( 0.038 -2.349 -1.004) 2.554 20.465 ( -1.424 0.445 -1.155) 1.886 20.591 ( 1.188 -3.845 2.030) 4.507 20.696 ( -1.896 -1.787 0.109) 2.607 24.307 ( -0.085 -0.883 0.866) 1.240 24.328 ( -0.203 -0.386 -0.533) 0.689 32.088 ( 0.027 -0.479 0.500) 0.693 32.107 ( 0.075 0.097 -0.924) 0.932 41.712 ( 10.463 3.785 -2.169) 11.336 42.193 ( -11.310 13.928 8.339) 19.785 42.932 ( 20.161 11.948 4.885) 23.939 43.797 ( -3.772 25.214 -15.562) 29.869 ======================= Grid point 521 (166/189) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 8.156 11.221 3.201) 14.237 2.129 ( 6.687 1.489 -6.004) 9.110 2.804 ( 12.293 6.721 -8.117) 16.192 2.871 ( -3.600 10.556 10.688) 15.447 3.770 ( -1.605 -12.527 9.950) 16.079 3.886 ( 2.561 -13.061 -7.305) 15.183 4.022 ( -10.800 5.762 5.362) 13.364 4.125 ( -14.913 -4.071 -5.995) 16.581 5.279 ( 13.923 -5.235 -5.650) 15.911 5.468 ( -6.296 7.144 5.561) 11.027 5.725 ( 22.453 3.654 5.573) 23.421 6.158 ( -9.686 18.959 -6.124) 22.153 8.137 ( 4.450 -9.261 10.743) 14.865 8.387 ( -4.430 3.962 -11.191) 12.671 9.111 ( 5.866 4.138 -2.310) 7.541 9.189 ( -3.854 8.110 3.202) 9.533 9.637 ( 0.166 -7.790 -0.236) 7.796 9.712 ( -5.171 -3.769 -0.553) 6.423 20.398 ( 1.285 -1.276 -0.190) 1.821 20.441 ( -1.918 1.299 -0.625) 2.399 20.579 ( 1.009 -4.052 0.813) 4.255 20.632 ( -3.388 -1.930 -0.016) 3.899 24.305 ( 0.166 -0.469 0.683) 0.845 24.318 ( -0.333 -0.032 -0.572) 0.663 32.093 ( 0.493 0.071 0.704) 0.863 32.108 ( 0.099 0.670 -0.911) 1.135 41.947 ( 14.692 1.599 -2.421) 14.976 42.181 ( -9.376 13.247 4.647) 16.882 43.416 ( 22.495 4.975 7.359) 24.185 43.853 ( -7.958 20.775 -10.411) 24.563 ======================= Grid point 522 (167/189) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 9.736 2.426 -2.374) 10.310 2.274 ( -2.767 9.644 2.374) 10.310 2.987 ( 2.816 3.692 -10.046) 11.067 2.987 ( 1.789 4.285 10.046) 11.067 3.705 ( -3.352 -6.542 -14.279) 16.060 3.705 ( -3.989 -6.174 14.279) 16.060 3.939 ( 4.756 -3.962 -5.177) 8.070 3.939 ( -5.809 2.138 5.177) 8.070 5.418 ( 11.633 -5.118 -4.915) 13.627 5.418 ( -10.249 7.516 4.915) 13.627 6.126 ( -7.774 14.376 -6.095) 17.443 6.126 ( 16.337 0.456 6.095) 17.443 8.193 ( -12.592 0.361 -12.960) 18.074 8.193 ( 6.609 -10.725 12.960) 18.074 9.184 ( 7.209 -4.559 -13.565) 16.024 9.184 ( -7.552 3.964 13.565) 16.024 9.645 ( 4.169 -0.456 -10.113) 10.948 9.645 ( -2.479 3.383 10.113) 10.948 20.421 ( -1.349 1.347 -0.411) 1.950 20.421 ( 1.841 -0.495 0.411) 1.950 20.556 ( -0.871 -2.786 -0.448) 2.953 20.556 ( -1.977 -2.147 0.448) 2.953 24.310 ( -0.459 0.228 -0.448) 0.681 24.310 ( 0.427 -0.284 0.448) 0.681 32.112 ( -0.197 0.995 -0.726) 1.247 32.112 ( 0.960 0.326 0.726) 1.247 42.181 ( 11.665 0.367 -4.507) 12.511 42.181 ( -5.514 10.286 4.507) 12.511 43.835 ( -1.445 11.948 -7.966) 14.433 43.835 ( 11.070 4.723 7.966) 14.433 ======================= Grid point 533 (168/189) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -0.000 10.740 -0.412) 10.748 1.999 ( 0.000 -4.251 -9.361) 10.281 2.593 ( -0.000 13.087 -3.835) 13.638 3.005 ( -0.000 1.883 11.869) 12.017 3.766 ( 0.000 -12.122 3.369) 12.581 3.855 ( 0.000 -9.201 -5.657) 10.801 4.329 ( -0.000 10.518 9.166) 13.952 4.709 ( 0.000 -2.931 -5.670) 6.383 4.763 ( -0.000 -6.858 2.609) 7.338 5.111 ( -0.000 3.283 0.219) 3.290 5.623 ( -0.000 9.518 4.015) 10.330 6.352 ( -0.000 17.234 -4.828) 17.898 8.045 ( -0.000 -9.671 9.119) 13.293 8.435 ( 0.000 6.958 -8.589) 11.054 8.971 ( 0.000 8.562 -8.022) 11.733 9.282 ( -0.000 13.577 9.876) 16.789 9.619 ( 0.000 -13.816 -13.984) 19.658 9.865 ( -0.000 -8.149 7.551) 11.110 20.379 ( 0.000 -1.942 -1.146) 2.255 20.479 ( 0.000 1.315 -1.249) 1.813 20.554 ( -0.000 -4.112 2.094) 4.615 20.697 ( 0.000 -1.915 0.479) 1.974 24.304 ( -0.000 -0.814 0.771) 1.121 24.324 ( 0.000 -0.114 -0.590) 0.601 32.086 ( -0.000 -0.328 0.562) 0.651 32.103 ( 0.000 0.357 -0.899) 0.967 41.660 ( 0.000 5.031 -1.606) 5.281 42.535 ( -0.000 9.611 19.945) 22.140 42.822 ( 0.000 11.663 -5.582) 12.930 43.999 ( 0.000 23.173 -10.899) 25.608 ======================= Grid point 534 (169/189) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 5.557 1.435 -2.940) 6.448 2.061 ( 11.201 12.462 2.652) 16.964 2.719 ( 3.776 9.836 -5.049) 11.683 3.029 ( -2.414 -2.255 9.797) 10.339 3.680 ( 1.245 -9.755 1.272) 9.917 3.729 ( -1.010 -9.581 -5.535) 11.111 4.286 ( -14.889 1.857 -4.653) 15.709 4.417 ( -15.975 3.861 7.057) 17.886 4.939 ( 15.753 -6.807 -4.407) 17.718 5.376 ( 19.531 3.563 7.044) 21.066 5.686 ( -3.271 6.666 1.987) 7.687 6.422 ( -5.841 14.040 -5.876) 16.302 8.015 ( 3.323 -13.000 11.818) 17.880 8.442 ( -2.522 6.867 -10.216) 12.565 9.005 ( 2.828 1.333 -11.296) 11.721 9.424 ( -4.492 10.576 10.093) 15.294 9.463 ( 3.180 -5.457 -12.215) 13.751 9.802 ( -3.604 -5.054 7.977) 10.107 20.367 ( 0.811 -0.909 -0.530) 1.328 20.479 ( -1.235 1.867 -0.785) 2.371 20.530 ( 0.771 -3.976 1.133) 4.206 20.661 ( -2.117 -2.086 0.394) 2.998 24.301 ( 0.116 -0.649 0.636) 0.916 24.320 ( -0.144 0.187 -0.561) 0.608 32.089 ( 0.315 -0.166 0.653) 0.744 32.107 ( 0.290 0.827 -0.824) 1.203 41.770 ( 7.950 3.836 -1.113) 8.897 42.527 ( -13.299 9.601 9.425) 18.917 43.129 ( 19.500 3.962 3.707) 20.241 44.128 ( -4.935 21.029 -6.116) 22.449 ======================= Grid point 548 (170/189) ======================= q-point: (-0.33 -0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( -0.000 10.582 7.251) 12.828 2.054 ( -0.000 11.984 2.338) 12.209 2.733 ( 0.000 2.796 -5.112) 5.826 3.032 ( -0.000 -8.834 6.857) 11.183 3.602 ( 0.000 -4.901 0.650) 4.944 3.632 ( 0.000 -6.881 -6.638) 9.561 4.493 ( 0.000 -6.747 -13.867) 15.421 4.530 ( -0.000 3.661 1.159) 3.840 4.732 ( -0.000 -2.101 8.559) 8.813 5.260 ( -0.000 6.417 5.975) 8.768 5.775 ( -0.000 3.544 1.968) 4.054 6.554 ( 0.000 9.337 -6.135) 11.173 7.918 ( -0.000 -14.026 13.460) 19.439 8.491 ( 0.000 8.473 -10.551) 13.532 8.902 ( 0.000 -5.551 -13.520) 14.615 9.355 ( 0.000 3.115 -12.191) 12.583 9.615 ( -0.000 9.589 9.448) 13.461 9.813 ( -0.000 -6.272 8.307) 10.408 20.353 ( 0.000 0.144 -0.372) 0.399 20.488 ( 0.000 -4.051 0.904) 4.150 20.509 ( -0.000 2.678 -0.569) 2.737 20.661 ( 0.000 -2.275 0.344) 2.301 24.296 ( -0.000 -0.721 0.555) 0.910 24.321 ( 0.000 0.388 -0.504) 0.636 32.087 ( -0.000 -0.313 0.609) 0.685 32.109 ( 0.000 1.113 -0.703) 1.316 41.742 ( -0.000 3.761 0.549) 3.801 42.885 ( -0.000 2.529 23.891) 24.024 42.888 ( 0.000 3.980 -10.781) 11.492 44.349 ( -0.000 20.265 -3.199) 20.516 ======================= Grid point 641 (171/189) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -0.000 -0.000 24.882) 24.882 1.611 ( -0.000 -0.000 24.882) 24.882 2.645 ( -0.000 -0.000 37.513) 37.513 2.935 ( 0.000 0.000 -15.565) 15.565 2.935 ( 0.000 0.000 -15.565) 15.565 4.400 ( 0.000 0.000 -18.404) 18.404 4.500 ( -0.000 -0.000 5.293) 5.293 4.500 ( -0.000 -0.000 5.293) 5.293 4.898 ( 0.000 0.000 -3.630) 3.630 4.898 ( 0.000 0.000 -3.630) 3.630 4.972 ( -0.000 -0.000 9.771) 9.771 5.607 ( 0.000 0.000 -9.043) 9.043 7.970 ( -0.000 -0.000 3.946) 3.946 7.970 ( -0.000 -0.000 3.946) 3.946 8.217 ( 0.000 0.000 -2.914) 2.914 8.217 ( 0.000 0.000 -2.914) 2.914 10.686 ( -0.000 -0.000 1.499) 1.499 10.835 ( 0.000 0.000 -2.922) 2.922 20.597 ( -0.000 -0.000 1.659) 1.659 20.597 ( -0.000 -0.000 1.659) 1.659 20.713 ( 0.000 0.000 -1.689) 1.689 20.713 ( 0.000 0.000 -1.689) 1.689 24.370 ( -0.000 -0.000 1.034) 1.034 24.440 ( 0.000 0.000 -1.027) 1.027 32.170 ( -0.000 -0.000 0.294) 0.294 32.189 ( 0.000 0.000 -0.282) 0.282 41.655 ( -0.000 -0.000 0.478) 0.478 41.655 ( 0.000 0.000 0.478) 0.478 41.694 ( 0.000 -0.000 -0.672) 0.672 41.694 ( 0.000 0.000 -0.672) 0.672 ======================= Grid point 642 (172/189) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -6.265 -3.617 24.382) 25.433 1.779 ( -5.238 -3.024 25.685) 26.388 2.614 ( -11.294 -6.521 -19.124) 23.148 3.028 ( 8.087 4.669 -9.360) 13.222 3.104 ( 19.026 10.985 25.077) 33.339 4.245 ( -4.560 -2.633 -7.241) 8.953 4.437 ( -8.034 -4.639 13.831) 16.655 4.545 ( 3.747 2.163 -0.970) 4.434 4.846 ( 1.758 1.015 -1.342) 2.434 4.952 ( 3.283 1.895 -9.423) 10.157 5.229 ( 14.088 8.134 1.020) 16.299 5.557 ( 0.357 0.206 -9.081) 9.091 7.917 ( -2.480 -1.432 4.402) 5.251 8.106 ( 5.997 3.462 6.552) 9.533 8.168 ( 3.708 2.141 -4.344) 6.099 8.495 ( 17.625 10.176 -5.394) 21.055 10.517 ( -15.362 -8.869 4.531) 18.308 10.737 ( -7.115 -4.108 -3.783) 9.044 20.540 ( -3.421 -1.975 1.365) 4.179 20.630 ( -3.783 -2.184 -1.933) 4.777 20.649 ( 1.816 1.048 1.981) 2.884 20.748 ( 1.113 0.643 -1.657) 2.097 24.369 ( -0.545 -0.315 0.823) 1.036 24.400 ( -2.626 -1.516 -0.050) 3.032 32.155 ( -1.344 -0.776 0.248) 1.572 32.167 ( -1.553 -0.897 -0.207) 1.805 41.551 ( -3.085 -1.781 -1.474) 3.855 41.832 ( 9.353 5.400 3.860) 11.469 41.924 ( 25.526 14.737 -13.158) 32.278 42.037 ( 20.992 12.120 0.604) 24.247 ======================= Grid point 643 (173/189) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -0.591 -0.341 19.407) 19.419 1.764 ( -5.753 -3.321 22.912) 23.855 2.317 ( -4.327 -2.498 -18.132) 18.807 3.125 ( 6.657 3.844 -12.788) 14.921 3.582 ( 9.144 5.279 20.537) 23.092 4.115 ( -6.417 -3.705 1.237) 7.512 4.461 ( 2.425 1.400 18.695) 18.904 4.575 ( -0.310 -0.179 -6.451) 6.461 4.914 ( 4.800 2.771 -1.945) 5.874 4.962 ( 3.358 1.939 -12.023) 12.633 5.545 ( 2.796 1.614 -9.203) 9.753 5.550 ( 14.937 8.624 -1.995) 17.363 7.922 ( 0.924 0.533 5.824) 5.921 8.299 ( 8.532 4.926 -5.084) 11.086 8.310 ( 8.363 4.829 9.115) 13.280 8.867 ( 17.743 10.244 -7.876) 21.950 10.115 ( -22.204 -12.819 9.742) 27.427 10.496 ( -11.550 -6.668 -5.541) 14.442 20.468 ( -3.460 -1.998 1.392) 4.231 20.535 ( -3.551 -2.050 -1.612) 4.405 20.694 ( 1.115 0.644 1.282) 1.817 20.740 ( -0.946 -0.546 -1.731) 2.046 24.346 ( -2.112 -1.219 0.829) 2.576 24.355 ( -0.877 -0.507 0.233) 1.040 32.121 ( -1.616 -0.933 0.243) 1.882 32.132 ( -1.242 -0.717 -0.427) 1.496 41.521 ( 1.056 0.610 -1.976) 2.322 42.105 ( 12.048 6.956 6.921) 15.538 42.435 ( 26.075 15.054 -26.001) 39.782 42.602 ( 27.465 15.857 4.064) 31.973 ======================= Grid point 644 (174/189) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 2.869 1.656 6.303) 7.121 1.788 ( -0.608 -0.351 15.110) 15.127 2.311 ( 8.941 5.162 -6.253) 12.070 3.187 ( 4.145 2.393 -11.345) 12.313 3.744 ( -1.203 -0.695 15.569) 15.631 3.949 ( -10.262 -5.925 6.567) 13.547 4.500 ( -0.471 -0.272 -12.455) 12.467 4.600 ( -0.038 -0.022 12.296) 12.296 4.960 ( 0.476 0.275 -9.749) 9.764 5.032 ( 6.246 3.606 -2.096) 7.511 5.590 ( 5.338 3.082 -8.146) 10.216 5.899 ( 16.427 9.484 1.671) 19.041 8.017 ( 4.376 2.526 6.700) 8.391 8.418 ( 3.227 1.863 -6.895) 7.837 8.563 ( 9.296 5.367 10.936) 15.324 9.191 ( 14.892 8.598 -8.979) 19.399 9.686 ( -20.396 -11.776 13.897) 27.346 10.204 ( -10.677 -6.164 -6.627) 13.997 20.405 ( -2.665 -1.539 1.233) 3.315 20.469 ( -1.514 -0.874 -0.547) 1.831 20.673 ( -2.996 -1.730 -1.540) 3.787 20.722 ( -0.177 -0.102 0.053) 0.211 24.318 ( -0.873 -0.504 0.948) 1.384 24.335 ( -0.873 -0.504 -0.334) 1.062 32.094 ( -0.829 -0.479 0.456) 1.060 32.109 ( -0.579 -0.334 -0.735) 0.993 41.568 ( 3.784 2.185 -1.874) 4.755 42.418 ( 11.650 6.726 8.943) 16.154 42.773 ( 16.769 9.682 -29.128) 34.977 43.259 ( 27.456 15.852 7.071) 32.482 ======================= Grid point 645 (175/189) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 9.390 5.421 0.118) 10.843 1.892 ( 5.171 2.985 4.368) 7.398 2.551 ( 11.194 6.463 1.067) 12.970 3.175 ( -0.897 -0.518 -9.703) 9.758 3.729 ( -5.648 -3.261 10.486) 12.349 3.747 ( -9.613 -5.550 5.184) 12.251 4.467 ( 2.745 1.585 -8.530) 9.100 4.573 ( -6.153 -3.553 10.372) 12.572 4.869 ( -3.731 -2.154 -9.923) 10.818 5.156 ( 6.090 3.516 -4.176) 8.179 5.688 ( 5.764 3.328 -4.696) 8.146 6.271 ( 14.095 8.138 5.491) 17.177 8.136 ( 0.736 0.425 0.237) 0.882 8.368 ( -1.633 -0.943 -2.935) 3.489 8.813 ( 6.649 3.839 11.607) 13.917 9.380 ( -10.105 -5.834 12.515) 17.110 9.446 ( 9.524 5.498 -6.337) 12.692 9.978 ( -6.484 -3.743 -7.011) 10.257 20.364 ( -1.410 -0.814 0.847) 1.835 20.466 ( 1.033 0.596 0.509) 1.297 20.582 ( -4.042 -2.334 -1.551) 4.918 20.703 ( -1.442 -0.832 -0.364) 1.704 24.313 ( -0.009 -0.005 0.765) 0.765 24.314 ( -0.729 -0.421 -0.602) 1.035 32.091 ( 0.248 0.143 0.717) 0.772 32.096 ( -0.261 -0.150 -0.802) 0.857 41.656 ( 4.491 2.593 -1.328) 5.353 42.697 ( 8.488 4.901 10.217) 14.158 42.903 ( 8.339 4.815 -27.335) 28.981 43.867 ( 23.070 13.319 6.812) 27.496 ======================= Grid point 654 (176/189) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -0.000 -14.409 24.505) 28.428 2.116 ( -0.000 13.557 22.958) 26.662 2.579 ( 0.000 -8.074 -18.844) 20.501 2.839 ( 0.000 -2.369 -18.608) 18.758 3.206 ( -0.000 15.886 30.811) 34.666 4.210 ( 0.000 1.291 -15.225) 15.280 4.371 ( -0.000 -12.811 13.032) 18.275 4.667 ( -0.000 1.329 2.623) 2.940 4.916 ( 0.000 13.760 -5.642) 14.872 4.919 ( 0.000 5.463 -3.211) 6.337 5.131 ( -0.000 1.139 3.772) 3.940 5.501 ( 0.000 -0.359 -8.708) 8.715 7.945 ( -0.000 -0.375 3.867) 3.885 8.190 ( -0.000 12.309 7.294) 14.308 8.191 ( 0.000 6.201 -6.229) 8.789 8.381 ( 0.000 12.161 -4.284) 12.893 10.563 ( 0.000 -13.096 3.673) 13.601 10.712 ( 0.000 -9.358 -4.061) 10.201 20.554 ( -0.000 -3.403 1.200) 3.608 20.625 ( 0.000 -3.847 -2.156) 4.410 20.647 ( -0.000 0.517 2.415) 2.469 20.737 ( 0.000 1.315 -1.503) 1.997 24.373 ( -0.000 -0.784 0.820) 1.135 24.400 ( 0.000 -2.597 -0.248) 2.608 32.157 ( 0.000 -1.566 0.241) 1.584 32.166 ( 0.000 -1.735 -0.213) 1.748 41.531 ( -0.000 -3.001 0.971) 3.154 41.661 ( -0.000 4.570 -0.792) 4.638 41.916 ( -0.000 14.519 0.628) 14.532 42.185 ( -0.000 40.463 -8.225) 41.291 ======================= Grid point 655 (177/189) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 3.461 -7.116 21.893) 23.279 2.180 ( -17.154 9.543 13.839) 24.018 2.305 ( -8.348 -1.135 -11.746) 14.455 2.852 ( 13.890 -6.050 -17.905) 23.455 3.613 ( 9.119 11.594 22.992) 27.317 4.142 ( -1.751 -0.065 -7.031) 7.246 4.366 ( 5.626 -11.127 9.835) 15.881 4.609 ( -6.003 -2.495 2.519) 6.972 4.940 ( -1.481 8.642 -4.649) 9.924 5.047 ( 0.736 18.118 -6.549) 19.279 5.299 ( 15.293 -1.216 2.283) 15.511 5.479 ( 0.621 2.925 -7.867) 8.416 7.993 ( 0.311 3.724 5.801) 6.900 8.190 ( 1.212 6.276 -6.562) 9.160 8.389 ( 2.469 14.636 8.728) 17.219 8.643 ( 15.264 11.091 -7.123) 20.168 10.329 ( -13.141 -15.005 6.697) 21.040 10.522 ( -6.007 -13.011 -5.826) 15.470 20.504 ( -2.348 -2.799 1.134) 3.826 20.552 ( -2.451 -3.428 -1.874) 4.612 20.677 ( 1.615 -0.583 2.131) 2.736 20.737 ( -0.387 -0.020 -1.601) 1.647 24.362 ( -0.570 -1.040 0.331) 1.231 24.363 ( -1.268 -2.099 0.408) 2.486 32.132 ( -0.952 -1.641 0.209) 1.909 32.139 ( -0.897 -1.439 -0.291) 1.720 41.599 ( -2.592 6.262 2.664) 7.282 41.724 ( 14.525 -0.590 -4.633) 15.258 42.299 ( 20.804 17.328 5.097) 27.551 42.565 ( 4.423 39.493 -13.832) 42.078 ======================= Grid point 656 (178/189) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 1.593 3.313 13.337) 13.835 1.986 ( -7.758 2.638 -3.527) 8.921 2.272 ( -3.761 10.338 9.222) 14.355 2.951 ( 14.172 -5.321 -15.855) 21.922 3.848 ( -0.670 2.610 15.803) 16.031 4.068 ( -4.911 -3.027 2.724) 6.380 4.363 ( 0.311 -9.582 -5.918) 11.267 4.487 ( 3.508 -10.749 -1.791) 11.448 5.021 ( -3.648 12.099 4.675) 13.474 5.214 ( -0.946 20.872 -4.152) 21.302 5.479 ( 2.469 2.777 -9.019) 9.755 5.626 ( 21.858 1.552 1.633) 21.974 8.072 ( -0.464 6.990 6.492) 9.551 8.294 ( 7.550 2.050 -5.697) 9.678 8.623 ( 2.671 13.933 9.565) 17.110 8.961 ( 15.714 8.280 -9.062) 19.940 9.961 ( -17.990 -13.287 10.972) 24.911 10.233 ( -7.777 -13.267 -7.475) 17.099 20.445 ( -2.712 -1.677 1.131) 3.383 20.478 ( -1.657 -2.316 -0.961) 3.006 20.692 ( -1.230 -1.187 -0.261) 1.729 20.707 ( 0.072 -1.619 -0.369) 1.662 24.330 ( -0.948 -1.116 0.770) 1.655 24.341 ( -0.773 -0.870 -0.288) 1.198 32.104 ( -0.834 -0.932 0.385) 1.308 32.113 ( -0.710 -0.666 -0.546) 1.116 41.622 ( -3.827 10.364 1.074) 11.100 42.019 ( 23.777 -5.269 -4.965) 24.854 42.811 ( 5.237 29.086 -4.891) 29.956 43.003 ( 22.986 20.121 -0.889) 30.562 ======================= Grid point 657 (179/189) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 1.479 13.860 -0.553) 13.950 1.960 ( -3.307 4.109 8.199) 9.749 2.459 ( 7.851 10.382 6.180) 14.409 3.039 ( 9.316 -3.074 -13.324) 16.546 3.854 ( -6.023 -2.252 10.050) 11.931 3.905 ( -12.135 -5.028 5.533) 14.253 4.253 ( 6.156 -8.925 -10.638) 15.190 4.449 ( 7.142 -16.632 -1.885) 18.199 5.031 ( -10.409 10.068 3.826) 14.978 5.333 ( -7.679 22.707 -5.083) 24.503 5.552 ( 9.233 0.596 -6.474) 11.292 6.052 ( 21.610 3.485 5.380) 22.540 8.169 ( -0.532 5.353 2.097) 5.774 8.344 ( 1.455 -1.730 -2.905) 3.681 8.842 ( 3.469 9.999 10.317) 14.780 9.228 ( 13.931 5.161 -9.900) 17.853 9.630 ( -15.397 -8.315 13.794) 22.282 9.971 ( -4.585 -9.875 -7.803) 13.395 20.395 ( -2.303 -0.621 0.772) 2.507 20.453 ( 0.652 -0.859 0.409) 1.154 20.620 ( -3.824 -1.722 -1.616) 4.494 20.696 ( 0.062 -2.529 0.028) 2.530 24.318 ( -0.234 -0.381 0.755) 0.878 24.319 ( -0.712 -0.522 -0.636) 1.088 32.094 ( -0.113 -0.021 0.633) 0.643 32.097 ( -0.350 -0.055 -0.648) 0.739 41.686 ( -1.338 10.223 0.804) 10.341 42.321 ( 21.614 -6.602 -6.355) 23.477 43.033 ( -3.573 25.937 -9.561) 27.873 43.613 ( 25.696 11.340 8.239) 29.271 ======================= Grid point 668 (180/189) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -0.000 -4.673 18.024) 18.620 2.297 ( 0.000 0.359 -17.098) 17.102 2.474 ( 0.000 -10.835 -21.568) 24.137 2.597 ( -0.000 11.893 19.432) 22.782 3.776 ( -0.000 13.633 20.832) 24.896 4.108 ( 0.000 0.621 -11.750) 11.766 4.273 ( -0.000 -13.150 14.810) 19.805 4.687 ( -0.000 0.494 2.853) 2.896 4.949 ( 0.000 2.495 -10.958) 11.238 5.091 ( 0.000 7.124 -12.837) 14.682 5.211 ( -0.000 3.101 12.363) 12.746 5.559 ( -0.000 16.273 -2.443) 16.455 8.016 ( -0.000 3.454 2.001) 3.992 8.272 ( 0.000 7.705 -5.526) 9.482 8.556 ( -0.000 13.112 0.125) 13.112 8.593 ( -0.000 17.053 3.361) 17.381 10.319 ( -0.000 -15.923 5.826) 16.955 10.384 ( 0.000 -17.849 -7.767) 19.466 20.497 ( 0.000 -3.279 0.438) 3.308 20.527 ( 0.000 -3.613 -2.044) 4.151 20.664 ( -0.000 -1.574 2.762) 3.179 20.737 ( 0.000 0.120 -1.032) 1.039 24.354 ( 0.000 -2.107 0.441) 2.152 24.356 ( 0.000 -1.319 0.057) 1.321 32.123 ( 0.000 -1.801 0.203) 1.812 32.130 ( 0.000 -1.557 -0.356) 1.597 41.517 ( 0.000 1.258 -0.985) 1.598 41.903 ( -0.000 15.432 9.268) 18.001 42.231 ( -0.000 17.128 -0.639) 17.139 42.860 ( 0.000 39.251 -14.518) 41.850 ======================= Grid point 669 (181/189) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 8.394 0.307 12.300) 14.894 2.055 ( -9.448 2.691 -15.698) 18.518 2.515 ( 17.191 -5.457 -17.808) 25.346 2.682 ( -12.836 12.298 18.627) 25.748 3.983 ( -0.475 6.462 12.757) 14.308 4.047 ( 0.525 -2.784 -8.716) 9.165 4.226 ( 1.915 -13.990 10.761) 17.753 4.514 ( -14.958 -2.914 -5.323) 16.143 5.129 ( 14.774 3.698 -3.953) 15.734 5.177 ( 9.956 8.196 -3.519) 13.368 5.339 ( 5.387 2.111 8.676) 10.429 5.672 ( -7.397 21.558 -3.963) 23.134 8.118 ( 5.985 3.185 2.687) 7.293 8.267 ( -3.625 7.338 -4.379) 9.282 8.758 ( 10.315 9.945 -4.888) 15.139 8.816 ( 1.140 16.764 7.008) 18.205 10.110 ( -8.073 -15.949 3.575) 18.230 10.128 ( -4.962 -17.030 -5.688) 18.628 20.458 ( -0.672 -3.037 -0.148) 3.114 20.475 ( -1.590 -2.058 -1.004) 2.787 20.668 ( 1.034 -2.658 2.141) 3.567 20.718 ( -1.632 -0.577 -0.903) 1.953 24.334 ( -0.481 -1.421 0.638) 1.631 24.339 ( -0.396 -1.101 -0.400) 1.236 32.106 ( -0.351 -1.174 0.364) 1.278 32.111 ( -0.340 -0.936 -0.528) 1.127 41.649 ( 13.332 1.280 -1.936) 13.533 41.927 ( -13.259 16.480 5.706) 21.907 42.694 ( 25.377 15.804 7.428) 30.804 43.135 ( -1.310 34.044 -14.410) 36.991 ======================= Grid point 670 (182/189) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 2.410 8.584 -10.409) 13.705 1.975 ( 6.229 6.379 10.409) 13.705 2.686 ( 17.327 -1.943 -15.963) 23.640 2.686 ( -10.346 14.034 15.963) 23.640 3.991 ( 2.335 -6.338 -4.335) 8.026 3.991 ( -6.656 -1.147 4.335) 8.026 4.177 ( -10.043 -7.429 -8.816) 15.290 4.177 ( -1.412 -12.412 8.816) 15.290 5.320 ( 13.133 -1.311 -6.295) 14.623 5.320 ( -7.702 10.718 6.295) 14.623 5.701 ( -7.165 21.342 -7.544) 23.743 5.701 ( 22.065 4.466 7.544) 23.743 8.261 ( 0.555 3.180 -9.325) 9.868 8.261 ( 2.476 2.071 9.325) 9.868 8.998 ( 11.752 5.844 -10.402) 16.748 8.998 ( -0.815 13.100 10.402) 16.748 9.851 ( -1.863 -15.230 -10.864) 18.800 9.851 ( -12.258 -9.228 10.864) 18.800 20.429 ( -0.446 -1.401 -0.646) 1.606 20.429 ( -0.990 -1.087 0.646) 1.606 20.661 ( -3.075 -1.389 -1.061) 3.537 20.661 ( 0.335 -3.358 1.061) 3.537 24.320 ( -0.499 -0.574 -0.691) 1.028 24.320 ( -0.248 -0.720 0.691) 1.028 32.098 ( -0.224 -0.128 -0.699) 0.745 32.098 ( 0.001 -0.258 0.699) 0.745 41.916 ( 14.651 1.775 -5.800) 15.857 41.916 ( -5.789 13.576 5.800) 15.857 43.320 ( 0.063 25.283 -13.825) 28.816 43.320 ( 21.864 12.696 13.825) 28.816 ======================= Grid point 682 (183/189) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -0.000 2.177 3.658) 4.257 2.049 ( 0.000 -8.202 -18.253) 20.011 2.309 ( 0.000 12.426 -5.806) 13.715 2.979 ( -0.000 7.575 15.203) 16.985 3.953 ( 0.000 -4.403 -11.075) 11.919 4.004 ( 0.000 -8.152 0.439) 8.164 4.261 ( -0.000 1.338 17.852) 17.902 4.723 ( 0.000 -0.055 -2.474) 2.474 4.874 ( 0.000 -2.699 0.802) 2.815 5.043 ( 0.000 2.828 -5.071) 5.806 5.462 ( -0.000 9.208 8.488) 12.524 5.940 ( -0.000 21.913 -3.353) 22.168 8.094 ( 0.000 4.255 -1.830) 4.632 8.350 ( -0.000 2.385 0.508) 2.439 8.721 ( 0.000 11.670 -9.177) 14.846 9.037 ( -0.000 17.067 10.693) 20.140 9.892 ( 0.000 -20.695 -12.692) 24.277 10.100 ( -0.000 -12.692 6.788) 14.393 20.425 ( 0.000 -3.309 -1.184) 3.514 20.470 ( 0.000 -1.025 -0.633) 1.205 20.641 ( -0.000 -3.457 2.415) 4.216 20.725 ( 0.000 -0.711 -0.196) 0.738 24.327 ( -0.000 -1.261 0.629) 1.409 24.330 ( 0.000 -0.906 -0.620) 1.098 32.100 ( -0.000 -0.900 0.474) 1.017 32.102 ( 0.000 -0.727 -0.610) 0.949 41.561 ( -0.000 4.153 -0.776) 4.224 42.388 ( -0.000 16.616 20.687) 26.534 42.528 ( 0.000 15.427 -4.961) 16.205 43.403 ( 0.000 31.660 -12.168) 33.918 ======================= Grid point 805 (184/189) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( -0.000 -0.000 23.708) 23.708 1.987 ( -0.000 -0.000 23.708) 23.708 2.663 ( 0.000 0.000 -19.419) 19.419 2.663 ( 0.000 0.000 -19.419) 19.419 3.194 ( -0.000 -0.000 33.347) 33.347 4.076 ( 0.000 0.000 -23.537) 23.537 4.600 ( -0.000 -0.000 7.344) 7.344 4.600 ( -0.000 -0.000 7.344) 7.344 4.822 ( 0.000 0.000 -6.048) 6.048 4.822 ( 0.000 0.000 -6.048) 6.048 5.130 ( -0.000 -0.000 10.568) 10.568 5.457 ( 0.000 0.000 -10.166) 10.166 8.035 ( -0.000 -0.000 4.379) 4.379 8.035 ( -0.000 -0.000 4.379) 4.379 8.166 ( 0.000 0.000 -3.751) 3.751 8.166 ( 0.000 0.000 -3.751) 3.751 10.714 ( -0.000 -0.000 2.020) 2.020 10.790 ( 0.000 0.000 -2.841) 2.841 20.624 ( -0.000 -0.000 1.892) 1.892 20.624 ( -0.000 -0.000 1.892) 1.892 20.685 ( 0.000 0.000 -1.909) 1.909 20.685 ( 0.000 0.000 -1.909) 1.909 24.387 ( -0.000 -0.000 1.149) 1.149 24.423 ( 0.000 0.000 -1.145) 1.145 32.175 ( -0.000 -0.000 0.320) 0.320 32.185 ( 0.000 0.000 -0.313) 0.313 41.663 ( -0.000 0.000 0.589) 0.589 41.663 ( -0.000 0.000 0.589) 0.589 41.684 ( 0.000 -0.000 -0.701) 0.701 41.684 ( 0.000 0.000 -0.701) 0.701 ======================= Grid point 806 (185/189) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -7.392 -4.268 23.019) 24.551 2.165 ( -4.522 -2.611 24.180) 24.738 2.296 ( -11.789 -6.807 -21.632) 25.559 2.773 ( 9.455 5.459 -18.792) 21.733 3.543 ( 13.410 7.742 26.911) 31.048 4.016 ( 4.456 2.573 -20.327) 20.969 4.619 ( -1.520 -0.877 7.298) 7.506 4.624 ( -1.920 -1.109 10.052) 10.294 4.793 ( 0.743 0.429 -10.147) 10.183 4.818 ( 2.891 1.669 -2.100) 3.944 5.274 ( 8.205 4.737 4.812) 10.626 5.409 ( 0.619 0.357 -9.934) 9.959 7.988 ( -1.913 -1.105 4.324) 4.855 8.104 ( 3.573 2.063 -3.574) 5.458 8.208 ( 7.809 4.508 6.517) 11.125 8.405 ( 15.495 8.946 -6.295) 18.967 10.584 ( -12.267 -7.083 4.211) 14.778 10.678 ( -8.255 -4.766 -3.813) 10.267 20.564 ( -3.529 -2.037 1.719) 4.423 20.601 ( -3.683 -2.126 -1.785) 4.612 20.680 ( 1.636 0.944 2.019) 2.765 20.719 ( 1.071 0.619 -2.075) 2.416 24.382 ( -0.929 -0.537 0.797) 1.337 24.395 ( -1.745 -1.007 -0.525) 2.082 32.159 ( -1.402 -0.810 0.247) 1.638 32.164 ( -1.519 -0.877 -0.210) 1.766 41.538 ( -3.656 -2.111 -0.256) 4.229 41.766 ( 14.657 8.462 -7.675) 18.584 41.885 ( 11.570 6.680 2.901) 13.671 42.050 ( 23.211 13.401 1.405) 26.838 ======================= Grid point 807 (186/189) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -9.024 -5.210 0.873) 10.456 2.110 ( 3.539 2.043 -0.964) 4.199 2.123 ( -8.697 -5.021 23.239) 25.316 2.886 ( 8.849 5.109 -17.439) 20.212 3.881 ( 4.698 2.713 17.439) 18.263 4.037 ( 4.053 2.340 -11.866) 12.756 4.468 ( -9.323 -5.382 -9.194) 14.157 4.677 ( 1.686 0.974 6.973) 7.240 4.849 ( 4.211 2.431 -0.172) 4.865 4.926 ( 5.108 2.949 5.897) 8.340 5.390 ( 2.924 1.688 -10.801) 11.316 5.537 ( 14.787 8.537 0.340) 17.078 8.004 ( 1.814 1.048 3.863) 4.395 8.240 ( 7.670 4.428 -1.681) 9.014 8.448 ( 9.830 5.675 8.527) 14.197 8.734 ( 16.667 9.623 -9.324) 21.385 10.257 ( -18.614 -10.747 8.690) 23.184 10.408 ( -12.660 -7.309 -5.727) 15.701 20.492 ( -3.589 -2.072 1.545) 4.423 20.515 ( -3.017 -1.742 -0.857) 3.587 20.701 ( -1.033 -0.596 -1.590) 1.988 20.721 ( 0.535 0.309 0.524) 0.810 24.355 ( -1.630 -0.941 0.290) 1.905 24.357 ( -1.324 -0.764 -0.016) 1.529 32.125 ( -1.523 -0.879 0.280) 1.781 32.127 ( -1.460 -0.843 -0.262) 1.706 41.507 ( 0.727 0.420 0.061) 0.842 42.106 ( 19.016 10.979 -17.003) 27.771 42.194 ( 13.860 8.002 4.211) 16.549 42.690 ( 30.124 17.392 7.828) 35.654 ======================= Grid point 819 (187/189) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -0.000 -15.745 23.246) 28.076 2.266 ( 0.000 -7.221 -21.130) 22.330 2.457 ( -0.000 11.176 19.288) 22.291 2.527 ( 0.000 -2.735 -19.907) 20.094 3.651 ( -0.000 10.974 26.501) 28.684 3.922 ( 0.000 8.715 -21.851) 23.524 4.569 ( -0.000 -9.081 12.115) 15.141 4.706 ( -0.000 -1.260 0.749) 1.466 4.802 ( 0.000 4.791 -9.086) 10.272 4.826 ( 0.000 10.289 -4.849) 11.375 5.254 ( -0.000 0.456 9.844) 9.854 5.373 ( 0.000 3.195 -7.629) 8.271 8.003 ( -0.000 -1.299 2.990) 3.260 8.105 ( 0.000 4.653 -4.381) 6.390 8.300 ( -0.000 14.308 3.314) 14.686 8.305 ( -0.000 11.769 -1.945) 11.928 10.620 ( -0.000 -11.123 3.698) 11.722 10.649 ( 0.000 -11.449 -4.154) 12.179 20.575 ( -0.000 -3.966 1.513) 4.245 20.593 ( 0.000 -4.007 -1.956) 4.459 20.684 ( -0.000 0.916 2.325) 2.499 20.711 ( 0.000 1.704 -1.841) 2.508 24.385 ( -0.000 -1.298 0.751) 1.499 24.393 ( 0.000 -1.700 -0.628) 1.813 32.160 ( 0.000 -1.660 0.230) 1.676 32.163 ( 0.000 -1.691 -0.229) 1.706 41.538 ( 0.000 -3.932 -0.005) 3.932 41.680 ( -0.000 9.071 3.478) 9.715 41.915 ( -0.000 14.539 -0.878) 14.565 42.091 ( -0.000 31.788 -4.146) 32.058 ======================= Grid point 820 (188/189) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -10.036 -3.364 -21.882) 24.308 1.941 ( 2.105 -10.373 21.882) 24.308 2.550 ( 16.613 -6.286 -20.745) 27.311 2.550 ( -13.751 11.244 20.745) 27.311 3.933 ( 3.403 7.497 -17.911) 19.712 3.933 ( 4.791 6.695 17.911) 19.712 4.542 ( -9.729 -4.959 -10.273) 14.993 4.542 ( 0.570 -10.905 10.273) 14.993 4.950 ( 5.518 12.084 -5.143) 14.245 4.950 ( 7.706 10.821 5.143) 14.245 5.368 ( -3.487 7.267 -6.127) 10.125 5.368 ( 8.037 0.614 6.127) 10.125 8.088 ( 2.673 3.819 -6.484) 7.986 8.088 ( 1.971 4.225 6.484) 7.986 8.523 ( 13.519 10.365 -8.356) 18.974 8.523 ( 2.217 16.891 8.356) 18.974 10.429 ( -6.305 -15.670 -6.227) 18.002 10.429 ( -10.418 -13.295 6.227) 18.002 20.525 ( -1.921 -3.460 -1.568) 4.257 20.525 ( -2.036 -3.393 1.568) 4.257 20.709 ( -0.797 0.536 -1.998) 2.217 20.709 ( 0.863 -0.423 1.998) 2.217 24.365 ( -0.921 -1.511 -0.061) 1.771 24.365 ( -0.848 -1.553 0.061) 1.771 32.135 ( -0.947 -1.585 -0.224) 1.860 32.135 ( -0.899 -1.613 0.224) 1.860 41.654 ( 12.759 -1.025 -4.214) 13.476 41.654 ( -7.267 10.537 4.214) 13.476 42.400 ( 5.124 31.393 -8.188) 32.845 42.400 ( 24.625 20.134 8.188) 32.845 ======================= Grid point 976 (189/189) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 0.000 0.000 -21.988) 21.988 2.341 ( 0.000 0.000 -21.988) 21.988 2.341 ( -0.000 -0.000 21.988) 21.988 2.341 ( -0.000 -0.000 21.988) 21.988 3.673 ( 0.000 0.000 -28.607) 28.607 3.673 ( -0.000 -0.000 28.607) 28.607 4.717 ( 0.000 0.000 -7.433) 7.433 4.717 ( 0.000 0.000 -7.433) 7.433 4.717 ( -0.000 -0.000 7.433) 7.433 4.717 ( -0.000 -0.000 7.433) 7.433 5.295 ( 0.000 0.000 -10.684) 10.684 5.295 ( -0.000 -0.000 10.684) 10.684 8.103 ( 0.000 0.000 -4.294) 4.294 8.103 ( -0.000 -0.000 4.294) 4.294 8.103 ( 0.000 0.000 -4.294) 4.294 8.103 ( -0.000 -0.000 4.294) 4.294 10.749 ( 0.000 0.000 -2.503) 2.503 10.749 ( -0.000 -0.000 2.503) 2.503 20.654 ( 0.000 0.000 -1.980) 1.980 20.654 ( -0.000 -0.000 1.980) 1.980 20.654 ( 0.000 0.000 -1.980) 1.980 20.654 ( -0.000 -0.000 1.980) 1.980 24.405 ( 0.000 0.000 -1.186) 1.186 24.405 ( -0.000 -0.000 1.186) 1.186 32.180 ( 0.000 0.000 -0.326) 0.326 32.180 ( -0.000 -0.000 0.326) 0.326 41.673 ( 0.000 -0.000 -0.669) 0.669 41.673 ( 0.000 -0.000 0.669) 0.669 41.673 ( -0.000 -0.000 -0.669) 0.669 41.673 ( -0.000 -0.000 0.669) 0.669 =================== 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 3/51840 10.0 567.480 567.480 999.873 0.000 -0.000 -0.000 3/51840 20.0 217.054 217.054 297.155 0.000 -0.000 -0.000 3/51840 30.0 100.302 100.302 111.684 0.000 -0.000 -0.000 3/51840 40.0 59.642 59.642 61.153 0.000 -0.000 -0.000 3/51840 50.0 40.940 40.940 40.632 0.000 -0.000 -0.000 3/51840 60.0 30.579 30.579 29.892 0.000 -0.000 -0.000 3/51840 70.0 24.147 24.147 23.409 0.000 -0.000 -0.000 3/51840 80.0 19.840 19.840 19.138 0.000 -0.000 -0.000 3/51840 90.0 16.792 16.792 16.150 0.000 -0.000 -0.000 3/51840 100.0 14.542 14.542 13.961 0.000 -0.000 -0.000 3/51840 110.0 12.823 12.823 12.299 0.000 -0.000 -0.000 3/51840 120.0 11.471 11.471 10.998 0.000 -0.000 -0.000 3/51840 130.0 10.383 10.383 9.953 0.000 -0.000 -0.000 3/51840 140.0 9.489 9.489 9.097 0.000 -0.000 -0.000 3/51840 150.0 8.743 8.743 8.382 0.000 -0.000 -0.000 3/51840 160.0 8.110 8.110 7.776 0.000 -0.000 -0.000 3/51840 170.0 7.566 7.566 7.256 0.000 -0.000 -0.000 3/51840 180.0 7.095 7.095 6.805 0.000 -0.000 -0.000 3/51840 190.0 6.682 6.682 6.409 0.000 -0.000 -0.000 3/51840 200.0 6.317 6.317 6.060 0.000 -0.000 -0.000 3/51840 210.0 5.993 5.993 5.749 0.000 -0.000 -0.000 3/51840 220.0 5.703 5.703 5.470 0.000 -0.000 -0.000 3/51840 230.0 5.443 5.443 5.220 0.000 -0.000 -0.000 3/51840 240.0 5.208 5.208 4.993 0.000 -0.000 -0.000 3/51840 250.0 4.994 4.994 4.788 0.000 -0.000 -0.000 3/51840 260.0 4.800 4.800 4.600 0.000 -0.000 -0.000 3/51840 270.0 4.622 4.622 4.429 0.000 -0.000 -0.000 3/51840 280.0 4.460 4.460 4.272 0.000 -0.000 -0.000 3/51840 290.0 4.310 4.310 4.127 0.000 -0.000 -0.000 3/51840 300.0 4.173 4.173 3.994 0.000 -0.000 -0.000 3/51840 310.0 4.045 4.045 3.871 0.000 -0.000 -0.000 3/51840 320.0 3.927 3.927 3.756 0.000 -0.000 -0.000 3/51840 330.0 3.818 3.818 3.650 0.000 -0.000 -0.000 3/51840 340.0 3.716 3.716 3.551 0.000 -0.000 -0.000 3/51840 350.0 3.621 3.621 3.459 0.000 -0.000 -0.000 3/51840 360.0 3.533 3.533 3.373 0.000 -0.000 -0.000 3/51840 370.0 3.450 3.450 3.292 0.000 -0.000 -0.000 3/51840 380.0 3.372 3.372 3.216 0.000 -0.000 -0.000 3/51840 390.0 3.298 3.298 3.145 0.000 -0.000 -0.000 3/51840 400.0 3.229 3.229 3.077 0.000 -0.000 -0.000 3/51840 410.0 3.164 3.164 3.014 0.000 -0.000 -0.000 3/51840 420.0 3.102 3.102 2.954 0.000 -0.000 -0.000 3/51840 430.0 3.044 3.044 2.897 0.000 -0.000 -0.000 3/51840 440.0 2.988 2.988 2.843 0.000 -0.000 -0.000 3/51840 450.0 2.936 2.936 2.791 0.000 -0.000 -0.000 3/51840 460.0 2.885 2.885 2.742 0.000 -0.000 -0.000 3/51840 470.0 2.837 2.837 2.696 0.000 -0.000 -0.000 3/51840 480.0 2.791 2.791 2.651 0.000 -0.000 -0.000 3/51840 490.0 2.747 2.747 2.608 0.000 -0.000 -0.000 3/51840 500.0 2.705 2.705 2.567 0.000 -0.000 -0.000 3/51840 510.0 2.665 2.665 2.528 0.000 -0.000 -0.000 3/51840 520.0 2.626 2.626 2.490 0.000 -0.000 -0.000 3/51840 530.0 2.589 2.589 2.453 0.000 -0.000 -0.000 3/51840 540.0 2.553 2.553 2.418 0.000 -0.000 -0.000 3/51840 550.0 2.518 2.518 2.384 0.000 -0.000 -0.000 3/51840 560.0 2.484 2.484 2.352 0.000 -0.000 -0.000 3/51840 570.0 2.452 2.452 2.320 0.000 -0.000 -0.000 3/51840 580.0 2.420 2.420 2.290 0.000 -0.000 -0.000 3/51840 590.0 2.390 2.390 2.260 0.000 -0.000 -0.000 3/51840 600.0 2.360 2.360 2.231 0.000 -0.000 -0.000 3/51840 610.0 2.331 2.331 2.203 0.000 -0.000 -0.000 3/51840 620.0 2.303 2.303 2.176 0.000 -0.000 -0.000 3/51840 630.0 2.276 2.276 2.150 0.000 -0.000 -0.000 3/51840 640.0 2.250 2.250 2.125 0.000 -0.000 -0.000 3/51840 650.0 2.224 2.224 2.100 0.000 -0.000 -0.000 3/51840 660.0 2.199 2.199 2.075 0.000 -0.000 -0.000 3/51840 670.0 2.175 2.175 2.052 0.000 -0.000 -0.000 3/51840 680.0 2.151 2.151 2.029 0.000 -0.000 -0.000 3/51840 690.0 2.128 2.128 2.006 0.000 -0.000 -0.000 3/51840 700.0 2.105 2.105 1.984 0.000 -0.000 -0.000 3/51840 710.0 2.083 2.083 1.963 0.000 -0.000 -0.000 3/51840 720.0 2.061 2.061 1.942 0.000 -0.000 -0.000 3/51840 730.0 2.040 2.040 1.922 0.000 -0.000 -0.000 3/51840 740.0 2.019 2.019 1.902 0.000 -0.000 -0.000 3/51840 750.0 1.999 1.999 1.882 0.000 -0.000 -0.000 3/51840 760.0 1.979 1.979 1.863 0.000 -0.000 -0.000 3/51840 770.0 1.960 1.960 1.844 0.000 -0.000 -0.000 3/51840 780.0 1.940 1.940 1.826 0.000 -0.000 -0.000 3/51840 790.0 1.922 1.922 1.808 0.000 -0.000 -0.000 3/51840 800.0 1.903 1.903 1.790 0.000 -0.000 -0.000 3/51840 810.0 1.886 1.886 1.773 0.000 -0.000 -0.000 3/51840 820.0 1.868 1.868 1.756 0.000 -0.000 -0.000 3/51840 830.0 1.851 1.851 1.739 0.000 -0.000 -0.000 3/51840 840.0 1.834 1.834 1.723 0.000 -0.000 -0.000 3/51840 850.0 1.817 1.817 1.707 0.000 -0.000 -0.000 3/51840 860.0 1.801 1.801 1.691 0.000 -0.000 -0.000 3/51840 870.0 1.784 1.784 1.676 0.000 -0.000 -0.000 3/51840 880.0 1.769 1.769 1.661 0.000 -0.000 -0.000 3/51840 890.0 1.753 1.753 1.646 0.000 -0.000 -0.000 3/51840 900.0 1.738 1.738 1.631 0.000 -0.000 -0.000 3/51840 910.0 1.723 1.723 1.617 0.000 -0.000 -0.000 3/51840 920.0 1.708 1.708 1.603 0.000 -0.000 -0.000 3/51840 930.0 1.694 1.694 1.589 0.000 -0.000 -0.000 3/51840 940.0 1.679 1.679 1.575 0.000 -0.000 -0.000 3/51840 950.0 1.665 1.665 1.562 0.000 -0.000 -0.000 3/51840 960.0 1.652 1.652 1.549 0.000 -0.000 -0.000 3/51840 970.0 1.638 1.638 1.536 0.000 -0.000 -0.000 3/51840 980.0 1.625 1.625 1.523 0.000 -0.000 -0.000 3/51840 990.0 1.611 1.611 1.511 0.000 -0.000 -0.000 3/51840 1000.0 1.599 1.599 1.498 0.000 -0.000 -0.000 3/51840 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:09:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|