----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:07:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 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 2.758719045679585 1.592747183641652 4.849764783333328 b -2.758719045679579 1.592747183641652 4.849764783333328 c 0.000000000000003 -3.185494367283309 4.849764783333328 Atomic positions (fractional): *1 O 0.95420914231852 0.54579085768148 0.25000000000000 15.999 2 O 0.25000000000000 0.95420914231852 0.54579085768148 15.999 3 O 0.54579085768148 0.25000000000000 0.95420914231852 15.999 4 O 0.04579085768148 0.45420914231852 0.75000000000000 15.999 5 O 0.45420914231852 0.75000000000000 0.04579085768148 15.999 6 O 0.75000000000000 0.04579085768148 0.45420914231852 15.999 *7 In 0.35738828927493 0.35738828927493 0.35738828927493 114.818 8 In 0.14261171072507 0.14261171072507 0.14261171072507 114.818 9 In 0.64261171072507 0.64261171072507 0.64261171072507 114.818 10 In 0.85738828927493 0.85738828927493 0.85738828927493 114.818 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.517438091359164 0.000000000000000 0.000000000000000 b -2.758719045679582 4.778241550924962 0.000000000000000 c 0.000000000000000 0.000000000000000 14.549294349999998 Atomic positions (fractional): *1 O 0.70420914231852 0.00000000000000 0.25000000000000 15.999 > 1 2 O 0.00000000000000 0.70420914231852 0.25000000000000 15.999 > 2 3 O 0.29579085768148 0.29579085768148 0.25000000000000 15.999 > 3 4 O 0.96245752434815 0.33333333333333 0.08333333333333 15.999 > 4 5 O 0.37087580898519 0.03754247565185 0.08333333333333 15.999 > 5 6 O 0.66666666666667 0.62912419101481 0.08333333333333 15.999 > 6 7 O 0.37087580898519 0.33333333333333 0.58333333333333 15.999 > 1 8 O 0.66666666666667 0.03754247565185 0.58333333333333 15.999 > 2 9 O 0.96245752434815 0.62912419101481 0.58333333333333 15.999 > 3 10 O 0.62912419101481 0.66666666666667 0.41666666666667 15.999 > 4 11 O 0.03754247565185 0.37087580898519 0.41666666666667 15.999 > 5 12 O 0.33333333333333 0.96245752434815 0.41666666666667 15.999 > 6 13 O 0.03754247565185 0.66666666666667 0.91666666666667 15.999 > 1 14 O 0.33333333333333 0.37087580898519 0.91666666666667 15.999 > 2 15 O 0.62912419101481 0.96245752434815 0.91666666666667 15.999 > 3 16 O 0.29579085768148 0.00000000000000 0.75000000000000 15.999 > 4 17 O 0.70420914231852 0.70420914231852 0.75000000000000 15.999 > 5 18 O 0.00000000000000 0.29579085768148 0.75000000000000 15.999 > 6 *19 In 0.33333333333333 0.66666666666667 0.02405495594160 114.818 > 7 20 In 0.00000000000000 0.00000000000000 0.14261171072507 114.818 > 8 21 In 0.33333333333333 0.66666666666667 0.30927837739174 114.818 > 9 22 In 0.66666666666667 0.33333333333333 0.19072162260826 114.818 > 10 23 In 0.00000000000000 0.00000000000000 0.35738828927493 114.818 > 7 24 In 0.66666666666667 0.33333333333333 0.47594504405840 114.818 > 8 25 In 0.00000000000000 0.00000000000000 0.64261171072507 114.818 > 9 26 In 0.33333333333333 0.66666666666667 0.52405495594160 114.818 > 10 27 In 0.66666666666667 0.33333333333333 0.69072162260826 114.818 > 7 28 In 0.33333333333333 0.66666666666667 0.80927837739174 114.818 > 8 29 In 0.66666666666667 0.33333333333333 0.97594504405840 114.818 > 9 30 In 0.00000000000000 0.00000000000000 0.85738828927493 114.818 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.034876182718328 0.000000000000000 0.000000000000000 b -5.517438091359164 9.556483101849924 0.000000000000000 c 0.000000000000000 0.000000000000000 14.549294349999998 Atomic positions (fractional): *1 O 0.35210457115926 0.00000000000000 0.25000000000000 15.999 > 1 2 O 0.85210457115926 0.00000000000000 0.25000000000000 15.999 > 1 3 O 0.35210457115926 0.50000000000000 0.25000000000000 15.999 > 1 4 O 0.85210457115926 0.50000000000000 0.25000000000000 15.999 > 1 5 O 0.00000000000000 0.35210457115926 0.25000000000000 15.999 > 2 6 O 0.50000000000000 0.35210457115926 0.25000000000000 15.999 > 2 7 O 0.00000000000000 0.85210457115926 0.25000000000000 15.999 > 2 8 O 0.50000000000000 0.85210457115926 0.25000000000000 15.999 > 2 9 O 0.14789542884074 0.14789542884074 0.25000000000000 15.999 > 3 10 O 0.64789542884074 0.14789542884074 0.25000000000000 15.999 > 3 11 O 0.14789542884074 0.64789542884074 0.25000000000000 15.999 > 3 12 O 0.64789542884074 0.64789542884074 0.25000000000000 15.999 > 3 13 O 0.48122876217407 0.16666666666667 0.08333333333333 15.999 > 4 14 O 0.98122876217407 0.16666666666667 0.08333333333333 15.999 > 4 15 O 0.48122876217407 0.66666666666667 0.08333333333333 15.999 > 4 16 O 0.98122876217407 0.66666666666667 0.08333333333333 15.999 > 4 17 O 0.18543790449259 0.01877123782593 0.08333333333333 15.999 > 5 18 O 0.68543790449259 0.01877123782593 0.08333333333333 15.999 > 5 19 O 0.18543790449259 0.51877123782593 0.08333333333333 15.999 > 5 20 O 0.68543790449259 0.51877123782593 0.08333333333333 15.999 > 5 21 O 0.33333333333333 0.31456209550741 0.08333333333333 15.999 > 6 22 O 0.83333333333333 0.31456209550741 0.08333333333333 15.999 > 6 23 O 0.33333333333333 0.81456209550741 0.08333333333333 15.999 > 6 24 O 0.83333333333333 0.81456209550741 0.08333333333333 15.999 > 6 25 O 0.18543790449259 0.16666666666667 0.58333333333333 15.999 > 1 26 O 0.68543790449259 0.16666666666667 0.58333333333333 15.999 > 1 27 O 0.18543790449259 0.66666666666667 0.58333333333333 15.999 > 1 28 O 0.68543790449259 0.66666666666667 0.58333333333333 15.999 > 1 29 O 0.33333333333333 0.01877123782593 0.58333333333333 15.999 > 2 30 O 0.83333333333333 0.01877123782593 0.58333333333333 15.999 > 2 31 O 0.33333333333333 0.51877123782593 0.58333333333333 15.999 > 2 32 O 0.83333333333333 0.51877123782593 0.58333333333333 15.999 > 2 33 O 0.48122876217407 0.31456209550741 0.58333333333333 15.999 > 3 34 O 0.98122876217407 0.31456209550741 0.58333333333333 15.999 > 3 35 O 0.48122876217407 0.81456209550741 0.58333333333333 15.999 > 3 36 O 0.98122876217407 0.81456209550741 0.58333333333333 15.999 > 3 37 O 0.31456209550741 0.33333333333333 0.41666666666667 15.999 > 4 38 O 0.81456209550741 0.33333333333333 0.41666666666667 15.999 > 4 39 O 0.31456209550741 0.83333333333333 0.41666666666667 15.999 > 4 40 O 0.81456209550741 0.83333333333333 0.41666666666667 15.999 > 4 41 O 0.01877123782593 0.18543790449259 0.41666666666667 15.999 > 5 42 O 0.51877123782593 0.18543790449259 0.41666666666667 15.999 > 5 43 O 0.01877123782593 0.68543790449259 0.41666666666667 15.999 > 5 44 O 0.51877123782593 0.68543790449259 0.41666666666667 15.999 > 5 45 O 0.16666666666667 0.48122876217407 0.41666666666667 15.999 > 6 46 O 0.66666666666667 0.48122876217407 0.41666666666667 15.999 > 6 47 O 0.16666666666667 0.98122876217407 0.41666666666667 15.999 > 6 48 O 0.66666666666667 0.98122876217407 0.41666666666667 15.999 > 6 49 O 0.01877123782593 0.33333333333333 0.91666666666667 15.999 > 1 50 O 0.51877123782593 0.33333333333333 0.91666666666667 15.999 > 1 51 O 0.01877123782593 0.83333333333333 0.91666666666667 15.999 > 1 52 O 0.51877123782593 0.83333333333333 0.91666666666667 15.999 > 1 53 O 0.16666666666667 0.18543790449259 0.91666666666667 15.999 > 2 54 O 0.66666666666667 0.18543790449259 0.91666666666667 15.999 > 2 55 O 0.16666666666667 0.68543790449259 0.91666666666667 15.999 > 2 56 O 0.66666666666667 0.68543790449259 0.91666666666667 15.999 > 2 57 O 0.31456209550741 0.48122876217407 0.91666666666667 15.999 > 3 58 O 0.81456209550741 0.48122876217407 0.91666666666667 15.999 > 3 59 O 0.31456209550741 0.98122876217407 0.91666666666667 15.999 > 3 60 O 0.81456209550741 0.98122876217407 0.91666666666667 15.999 > 3 61 O 0.14789542884074 0.00000000000000 0.75000000000000 15.999 > 4 62 O 0.64789542884074 0.00000000000000 0.75000000000000 15.999 > 4 63 O 0.14789542884074 0.50000000000000 0.75000000000000 15.999 > 4 64 O 0.64789542884074 0.50000000000000 0.75000000000000 15.999 > 4 65 O 0.35210457115926 0.35210457115926 0.75000000000000 15.999 > 5 66 O 0.85210457115926 0.35210457115926 0.75000000000000 15.999 > 5 67 O 0.35210457115926 0.85210457115926 0.75000000000000 15.999 > 5 68 O 0.85210457115926 0.85210457115926 0.75000000000000 15.999 > 5 69 O 0.00000000000000 0.14789542884074 0.75000000000000 15.999 > 6 70 O 0.50000000000000 0.14789542884074 0.75000000000000 15.999 > 6 71 O 0.00000000000000 0.64789542884074 0.75000000000000 15.999 > 6 72 O 0.50000000000000 0.64789542884074 0.75000000000000 15.999 > 6 *73 In 0.16666666666667 0.33333333333333 0.02405495594160 114.818 > 7 74 In 0.66666666666667 0.33333333333333 0.02405495594160 114.818 > 7 75 In 0.16666666666667 0.83333333333333 0.02405495594160 114.818 > 7 76 In 0.66666666666667 0.83333333333333 0.02405495594160 114.818 > 7 77 In 0.00000000000000 0.00000000000000 0.14261171072507 114.818 > 8 78 In 0.50000000000000 0.00000000000000 0.14261171072507 114.818 > 8 79 In 0.00000000000000 0.50000000000000 0.14261171072507 114.818 > 8 80 In 0.50000000000000 0.50000000000000 0.14261171072507 114.818 > 8 81 In 0.16666666666667 0.33333333333333 0.30927837739174 114.818 > 9 82 In 0.66666666666667 0.33333333333333 0.30927837739174 114.818 > 9 83 In 0.16666666666667 0.83333333333333 0.30927837739174 114.818 > 9 84 In 0.66666666666667 0.83333333333333 0.30927837739174 114.818 > 9 85 In 0.33333333333333 0.16666666666667 0.19072162260826 114.818 > 10 86 In 0.83333333333333 0.16666666666667 0.19072162260826 114.818 > 10 87 In 0.33333333333333 0.66666666666667 0.19072162260826 114.818 > 10 88 In 0.83333333333333 0.66666666666667 0.19072162260826 114.818 > 10 89 In 0.00000000000000 0.00000000000000 0.35738828927493 114.818 > 7 90 In 0.50000000000000 0.00000000000000 0.35738828927493 114.818 > 7 91 In 0.00000000000000 0.50000000000000 0.35738828927493 114.818 > 7 92 In 0.50000000000000 0.50000000000000 0.35738828927493 114.818 > 7 93 In 0.33333333333333 0.16666666666667 0.47594504405840 114.818 > 8 94 In 0.83333333333333 0.16666666666667 0.47594504405840 114.818 > 8 95 In 0.33333333333333 0.66666666666667 0.47594504405840 114.818 > 8 96 In 0.83333333333333 0.66666666666667 0.47594504405840 114.818 > 8 97 In 0.00000000000000 0.00000000000000 0.64261171072507 114.818 > 9 98 In 0.50000000000000 0.00000000000000 0.64261171072507 114.818 > 9 99 In 0.00000000000000 0.50000000000000 0.64261171072507 114.818 > 9 100 In 0.50000000000000 0.50000000000000 0.64261171072507 114.818 > 9 101 In 0.16666666666667 0.33333333333333 0.52405495594160 114.818 > 10 102 In 0.66666666666667 0.33333333333333 0.52405495594160 114.818 > 10 103 In 0.16666666666667 0.83333333333333 0.52405495594160 114.818 > 10 104 In 0.66666666666667 0.83333333333333 0.52405495594160 114.818 > 10 105 In 0.33333333333333 0.16666666666667 0.69072162260826 114.818 > 7 106 In 0.83333333333333 0.16666666666667 0.69072162260826 114.818 > 7 107 In 0.33333333333333 0.66666666666667 0.69072162260826 114.818 > 7 108 In 0.83333333333333 0.66666666666667 0.69072162260826 114.818 > 7 109 In 0.16666666666667 0.33333333333333 0.80927837739174 114.818 > 8 110 In 0.66666666666667 0.33333333333333 0.80927837739174 114.818 > 8 111 In 0.16666666666667 0.83333333333333 0.80927837739174 114.818 > 8 112 In 0.66666666666667 0.83333333333333 0.80927837739174 114.818 > 8 113 In 0.33333333333333 0.16666666666667 0.97594504405840 114.818 > 9 114 In 0.83333333333333 0.16666666666667 0.97594504405840 114.818 > 9 115 In 0.33333333333333 0.66666666666667 0.97594504405840 114.818 > 9 116 In 0.83333333333333 0.66666666666667 0.97594504405840 114.818 > 9 117 In 0.00000000000000 0.00000000000000 0.85738828927493 114.818 > 10 118 In 0.50000000000000 0.00000000000000 0.85738828927493 114.818 > 10 119 In 0.00000000000000 0.50000000000000 0.85738828927493 114.818 > 10 120 In 0.50000000000000 0.50000000000000 0.85738828927493 114.818 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3788604 -0.0000000 0.0000000 0.0000000 5.3788604 0.0000000 0.0000000 0.0000000 4.9672375 -------------------------- Born effective charges -------------------------- 1 O -2.3603135 0.0000000 0.0000000 0.0000000 -2.1157631 0.3970129 0.0000000 0.5422388 -2.1624038 2 O -2.1769007 0.1058934 -0.3438232 0.1058934 -2.2991759 -0.1985064 -0.4695926 -0.2711194 -2.1624038 3 O -2.1769007 -0.1058934 0.3438232 -0.1058934 -2.2991759 -0.1985064 0.4695926 -0.2711194 -2.1624038 4 O -2.3603135 0.0000000 0.0000000 0.0000000 -2.1157631 0.3970129 0.0000000 0.5422388 -2.1624038 5 O -2.1769007 -0.1058934 0.3438232 -0.1058934 -2.2991759 -0.1985064 0.4695926 -0.2711194 -2.1624038 6 O -2.1769007 0.1058934 -0.3438232 0.1058934 -2.2991759 -0.1985064 -0.4695926 -0.2711194 -2.1624038 7 In 3.3570574 0.0195195 0.0000000 -0.0195195 3.3570574 0.0000000 0.0000000 0.0000000 3.2436057 8 In 3.3570574 -0.0195195 0.0000000 0.0195195 3.3570574 0.0000000 0.0000000 0.0000000 3.2436057 9 In 3.3570574 0.0195195 0.0000000 -0.0195195 3.3570574 0.0000000 0.0000000 0.0000000 3.2436057 10 In 3.3570574 -0.0195195 0.0000000 0.0195195 3.3570574 0.0000000 0.0000000 0.0000000 3.2436057 ---------------------------------------------------------------------------- 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: 7392/7392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 501 Number of blocks in projector: 251 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: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 73 Use standard eigh solver. Tree of FC basis block matrices: - (501, 493), data: False |-- (73, 71), data: True |-- (192, 190), data: True |-- (236, 232), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.012 Solver_block: 100 / 160 - Time: 0.438 Solver_block: 160 / 160 - Time: 0.303 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.758 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 7392/7392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 501 Number of blocks in projector: 251 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: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 73 Use standard eigh solver. Tree of FC basis block matrices: - (501, 493), data: False |-- (73, 71), data: True |-- (192, 190), data: True |-- (236, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:07:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:07:42]------------------------- 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 2.758719045679585 1.592747183641652 4.849764783333328 b -2.758719045679579 1.592747183641652 4.849764783333328 c 0.000000000000003 -3.185494367283309 4.849764783333328 Atomic positions (fractional): 1 O 0.95420914231852 0.54579085768148 0.25000000000000 15.999 2 O 0.25000000000000 0.95420914231852 0.54579085768148 15.999 3 O 0.54579085768148 0.25000000000000 0.95420914231852 15.999 4 O 0.04579085768148 0.45420914231852 0.75000000000000 15.999 5 O 0.45420914231852 0.75000000000000 0.04579085768148 15.999 6 O 0.75000000000000 0.04579085768148 0.45420914231852 15.999 7 In 0.35738828927493 0.35738828927493 0.35738828927493 114.818 8 In 0.14261171072507 0.14261171072507 0.14261171072507 114.818 9 In 0.64261171072507 0.64261171072507 0.64261171072507 114.818 10 In 0.85738828927493 0.85738828927493 0.85738828927493 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.034876182718328 0.000000000000000 0.000000000000000 b -5.517438091359164 9.556483101849924 0.000000000000000 c 0.000000000000000 0.000000000000000 14.549294349999998 Atomic positions (fractional): 1 O 0.35210457115926 0.00000000000000 0.25000000000000 15.999 > 1 2 O 0.85210457115926 0.00000000000000 0.25000000000000 15.999 > 1 3 O 0.35210457115926 0.50000000000000 0.25000000000000 15.999 > 1 4 O 0.85210457115926 0.50000000000000 0.25000000000000 15.999 > 1 5 O 0.00000000000000 0.35210457115926 0.25000000000000 15.999 > 5 6 O 0.50000000000000 0.35210457115926 0.25000000000000 15.999 > 5 7 O 0.00000000000000 0.85210457115926 0.25000000000000 15.999 > 5 8 O 0.50000000000000 0.85210457115926 0.25000000000000 15.999 > 5 9 O 0.14789542884074 0.14789542884074 0.25000000000000 15.999 > 9 10 O 0.64789542884074 0.14789542884074 0.25000000000000 15.999 > 9 11 O 0.14789542884074 0.64789542884074 0.25000000000000 15.999 > 9 12 O 0.64789542884074 0.64789542884074 0.25000000000000 15.999 > 9 13 O 0.48122876217407 0.16666666666667 0.08333333333333 15.999 > 13 14 O 0.98122876217407 0.16666666666667 0.08333333333333 15.999 > 13 15 O 0.48122876217407 0.66666666666667 0.08333333333333 15.999 > 13 16 O 0.98122876217407 0.66666666666667 0.08333333333333 15.999 > 13 17 O 0.18543790449259 0.01877123782593 0.08333333333333 15.999 > 17 18 O 0.68543790449259 0.01877123782593 0.08333333333333 15.999 > 17 19 O 0.18543790449259 0.51877123782593 0.08333333333333 15.999 > 17 20 O 0.68543790449259 0.51877123782593 0.08333333333333 15.999 > 17 21 O 0.33333333333333 0.31456209550741 0.08333333333333 15.999 > 21 22 O 0.83333333333333 0.31456209550741 0.08333333333333 15.999 > 21 23 O 0.33333333333333 0.81456209550741 0.08333333333333 15.999 > 21 24 O 0.83333333333333 0.81456209550741 0.08333333333333 15.999 > 21 25 O 0.18543790449259 0.16666666666667 0.58333333333333 15.999 > 1 26 O 0.68543790449259 0.16666666666667 0.58333333333333 15.999 > 1 27 O 0.18543790449259 0.66666666666667 0.58333333333333 15.999 > 1 28 O 0.68543790449259 0.66666666666667 0.58333333333333 15.999 > 1 29 O 0.33333333333333 0.01877123782593 0.58333333333333 15.999 > 5 30 O 0.83333333333333 0.01877123782593 0.58333333333333 15.999 > 5 31 O 0.33333333333333 0.51877123782593 0.58333333333333 15.999 > 5 32 O 0.83333333333333 0.51877123782593 0.58333333333333 15.999 > 5 33 O 0.48122876217407 0.31456209550741 0.58333333333333 15.999 > 9 34 O 0.98122876217407 0.31456209550741 0.58333333333333 15.999 > 9 35 O 0.48122876217407 0.81456209550741 0.58333333333333 15.999 > 9 36 O 0.98122876217407 0.81456209550741 0.58333333333333 15.999 > 9 37 O 0.31456209550741 0.33333333333333 0.41666666666667 15.999 > 13 38 O 0.81456209550741 0.33333333333333 0.41666666666667 15.999 > 13 39 O 0.31456209550741 0.83333333333333 0.41666666666667 15.999 > 13 40 O 0.81456209550741 0.83333333333333 0.41666666666667 15.999 > 13 41 O 0.01877123782593 0.18543790449259 0.41666666666667 15.999 > 17 42 O 0.51877123782593 0.18543790449259 0.41666666666667 15.999 > 17 43 O 0.01877123782593 0.68543790449259 0.41666666666667 15.999 > 17 44 O 0.51877123782593 0.68543790449259 0.41666666666667 15.999 > 17 45 O 0.16666666666667 0.48122876217407 0.41666666666667 15.999 > 21 46 O 0.66666666666667 0.48122876217407 0.41666666666667 15.999 > 21 47 O 0.16666666666667 0.98122876217407 0.41666666666667 15.999 > 21 48 O 0.66666666666667 0.98122876217407 0.41666666666667 15.999 > 21 49 O 0.01877123782593 0.33333333333333 0.91666666666667 15.999 > 1 50 O 0.51877123782593 0.33333333333333 0.91666666666667 15.999 > 1 51 O 0.01877123782593 0.83333333333333 0.91666666666667 15.999 > 1 52 O 0.51877123782593 0.83333333333333 0.91666666666667 15.999 > 1 53 O 0.16666666666667 0.18543790449259 0.91666666666667 15.999 > 5 54 O 0.66666666666667 0.18543790449259 0.91666666666667 15.999 > 5 55 O 0.16666666666667 0.68543790449259 0.91666666666667 15.999 > 5 56 O 0.66666666666667 0.68543790449259 0.91666666666667 15.999 > 5 57 O 0.31456209550741 0.48122876217407 0.91666666666667 15.999 > 9 58 O 0.81456209550741 0.48122876217407 0.91666666666667 15.999 > 9 59 O 0.31456209550741 0.98122876217407 0.91666666666667 15.999 > 9 60 O 0.81456209550741 0.98122876217407 0.91666666666667 15.999 > 9 61 O 0.14789542884074 0.00000000000000 0.75000000000000 15.999 > 13 62 O 0.64789542884074 0.00000000000000 0.75000000000000 15.999 > 13 63 O 0.14789542884074 0.50000000000000 0.75000000000000 15.999 > 13 64 O 0.64789542884074 0.50000000000000 0.75000000000000 15.999 > 13 65 O 0.35210457115926 0.35210457115926 0.75000000000000 15.999 > 17 66 O 0.85210457115926 0.35210457115926 0.75000000000000 15.999 > 17 67 O 0.35210457115926 0.85210457115926 0.75000000000000 15.999 > 17 68 O 0.85210457115926 0.85210457115926 0.75000000000000 15.999 > 17 69 O 0.00000000000000 0.14789542884074 0.75000000000000 15.999 > 21 70 O 0.50000000000000 0.14789542884074 0.75000000000000 15.999 > 21 71 O 0.00000000000000 0.64789542884074 0.75000000000000 15.999 > 21 72 O 0.50000000000000 0.64789542884074 0.75000000000000 15.999 > 21 73 In 0.16666666666667 0.33333333333333 0.02405495594160 114.818 > 73 74 In 0.66666666666667 0.33333333333333 0.02405495594160 114.818 > 73 75 In 0.16666666666667 0.83333333333333 0.02405495594160 114.818 > 73 76 In 0.66666666666667 0.83333333333333 0.02405495594160 114.818 > 73 77 In 0.00000000000000 0.00000000000000 0.14261171072507 114.818 > 77 78 In 0.50000000000000 0.00000000000000 0.14261171072507 114.818 > 77 79 In 0.00000000000000 0.50000000000000 0.14261171072507 114.818 > 77 80 In 0.50000000000000 0.50000000000000 0.14261171072507 114.818 > 77 81 In 0.16666666666667 0.33333333333333 0.30927837739174 114.818 > 81 82 In 0.66666666666667 0.33333333333333 0.30927837739174 114.818 > 81 83 In 0.16666666666667 0.83333333333333 0.30927837739174 114.818 > 81 84 In 0.66666666666667 0.83333333333333 0.30927837739174 114.818 > 81 85 In 0.33333333333333 0.16666666666667 0.19072162260826 114.818 > 85 86 In 0.83333333333333 0.16666666666667 0.19072162260826 114.818 > 85 87 In 0.33333333333333 0.66666666666667 0.19072162260826 114.818 > 85 88 In 0.83333333333333 0.66666666666667 0.19072162260826 114.818 > 85 89 In 0.00000000000000 0.00000000000000 0.35738828927493 114.818 > 73 90 In 0.50000000000000 0.00000000000000 0.35738828927493 114.818 > 73 91 In 0.00000000000000 0.50000000000000 0.35738828927493 114.818 > 73 92 In 0.50000000000000 0.50000000000000 0.35738828927493 114.818 > 73 93 In 0.33333333333333 0.16666666666667 0.47594504405840 114.818 > 77 94 In 0.83333333333333 0.16666666666667 0.47594504405840 114.818 > 77 95 In 0.33333333333333 0.66666666666667 0.47594504405840 114.818 > 77 96 In 0.83333333333333 0.66666666666667 0.47594504405840 114.818 > 77 97 In 0.00000000000000 0.00000000000000 0.64261171072507 114.818 > 81 98 In 0.50000000000000 0.00000000000000 0.64261171072507 114.818 > 81 99 In 0.00000000000000 0.50000000000000 0.64261171072507 114.818 > 81 100 In 0.50000000000000 0.50000000000000 0.64261171072507 114.818 > 81 101 In 0.16666666666667 0.33333333333333 0.52405495594160 114.818 > 85 102 In 0.66666666666667 0.33333333333333 0.52405495594160 114.818 > 85 103 In 0.16666666666667 0.83333333333333 0.52405495594160 114.818 > 85 104 In 0.66666666666667 0.83333333333333 0.52405495594160 114.818 > 85 105 In 0.33333333333333 0.16666666666667 0.69072162260826 114.818 > 73 106 In 0.83333333333333 0.16666666666667 0.69072162260826 114.818 > 73 107 In 0.33333333333333 0.66666666666667 0.69072162260826 114.818 > 73 108 In 0.83333333333333 0.66666666666667 0.69072162260826 114.818 > 73 109 In 0.16666666666667 0.33333333333333 0.80927837739174 114.818 > 77 110 In 0.66666666666667 0.33333333333333 0.80927837739174 114.818 > 77 111 In 0.16666666666667 0.83333333333333 0.80927837739174 114.818 > 77 112 In 0.66666666666667 0.83333333333333 0.80927837739174 114.818 > 77 113 In 0.33333333333333 0.16666666666667 0.97594504405840 114.818 > 81 114 In 0.83333333333333 0.16666666666667 0.97594504405840 114.818 > 81 115 In 0.33333333333333 0.66666666666667 0.97594504405840 114.818 > 81 116 In 0.83333333333333 0.66666666666667 0.97594504405840 114.818 > 81 117 In 0.00000000000000 0.00000000000000 0.85738828927493 114.818 > 85 118 In 0.50000000000000 0.00000000000000 0.85738828927493 114.818 > 85 119 In 0.00000000000000 0.50000000000000 0.85738828927493 114.818 > 85 120 In 0.50000000000000 0.50000000000000 0.85738828927493 114.818 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3788604 -0.0000000 0.0000000 0.0000000 5.3788604 0.0000000 0.0000000 0.0000000 4.9672375 -------------------------- Born effective charges -------------------------- 1 O -2.3603135 0.0000000 0.0000000 0.0000000 -2.1157631 0.3970129 0.0000000 0.5422388 -2.1624038 2 O -2.1769007 0.1058934 -0.3438232 0.1058934 -2.2991759 -0.1985064 -0.4695926 -0.2711194 -2.1624038 3 O -2.1769007 -0.1058934 0.3438232 -0.1058934 -2.2991759 -0.1985064 0.4695926 -0.2711194 -2.1624038 4 O -2.3603135 0.0000000 0.0000000 0.0000000 -2.1157631 0.3970129 0.0000000 0.5422388 -2.1624038 5 O -2.1769007 -0.1058934 0.3438232 -0.1058934 -2.2991759 -0.1985064 0.4695926 -0.2711194 -2.1624038 6 O -2.1769007 0.1058934 -0.3438232 0.1058934 -2.2991759 -0.1985064 -0.4695926 -0.2711194 -2.1624038 7 In 3.3570574 0.0195195 0.0000000 -0.0195195 3.3570574 0.0000000 0.0000000 0.0000000 3.2436057 8 In 3.3570574 -0.0195195 0.0000000 0.0195195 3.3570574 0.0000000 0.0000000 0.0000000 3.2436057 9 In 3.3570574 0.0195195 0.0000000 -0.0195195 3.3570574 0.0000000 0.0000000 0.0000000 3.2436057 10 In 3.3570574 -0.0195195 0.0000000 0.0195195 3.3570574 0.0000000 0.0000000 0.0000000 3.2436057 ---------------------------------------------------------------------------- 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): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, 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: -0.00000001 (xyx) -0.00000001 (xyx) -0.00000001 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (xy) -0.00000003 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:07:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:07:50]------------------------- 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 2.758719045679585 1.592747183641652 4.849764783333328 b -2.758719045679579 1.592747183641652 4.849764783333328 c 0.000000000000003 -3.185494367283309 4.849764783333328 Atomic positions (fractional): 1 O 0.95420914231852 0.54579085768148 0.25000000000000 15.999 2 O 0.25000000000000 0.95420914231852 0.54579085768148 15.999 3 O 0.54579085768148 0.25000000000000 0.95420914231852 15.999 4 O 0.04579085768148 0.45420914231852 0.75000000000000 15.999 5 O 0.45420914231852 0.75000000000000 0.04579085768148 15.999 6 O 0.75000000000000 0.04579085768148 0.45420914231852 15.999 7 In 0.35738828927493 0.35738828927493 0.35738828927493 114.818 8 In 0.14261171072507 0.14261171072507 0.14261171072507 114.818 9 In 0.64261171072507 0.64261171072507 0.64261171072507 114.818 10 In 0.85738828927493 0.85738828927493 0.85738828927493 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.034876182718328 0.000000000000000 0.000000000000000 b -5.517438091359164 9.556483101849924 0.000000000000000 c 0.000000000000000 0.000000000000000 14.549294349999998 Atomic positions (fractional): 1 O 0.35210457115926 0.00000000000000 0.25000000000000 15.999 > 1 2 O 0.85210457115926 0.00000000000000 0.25000000000000 15.999 > 1 3 O 0.35210457115926 0.50000000000000 0.25000000000000 15.999 > 1 4 O 0.85210457115926 0.50000000000000 0.25000000000000 15.999 > 1 5 O 0.00000000000000 0.35210457115926 0.25000000000000 15.999 > 5 6 O 0.50000000000000 0.35210457115926 0.25000000000000 15.999 > 5 7 O 0.00000000000000 0.85210457115926 0.25000000000000 15.999 > 5 8 O 0.50000000000000 0.85210457115926 0.25000000000000 15.999 > 5 9 O 0.14789542884074 0.14789542884074 0.25000000000000 15.999 > 9 10 O 0.64789542884074 0.14789542884074 0.25000000000000 15.999 > 9 11 O 0.14789542884074 0.64789542884074 0.25000000000000 15.999 > 9 12 O 0.64789542884074 0.64789542884074 0.25000000000000 15.999 > 9 13 O 0.48122876217407 0.16666666666667 0.08333333333333 15.999 > 13 14 O 0.98122876217407 0.16666666666667 0.08333333333333 15.999 > 13 15 O 0.48122876217407 0.66666666666667 0.08333333333333 15.999 > 13 16 O 0.98122876217407 0.66666666666667 0.08333333333333 15.999 > 13 17 O 0.18543790449259 0.01877123782593 0.08333333333333 15.999 > 17 18 O 0.68543790449259 0.01877123782593 0.08333333333333 15.999 > 17 19 O 0.18543790449259 0.51877123782593 0.08333333333333 15.999 > 17 20 O 0.68543790449259 0.51877123782593 0.08333333333333 15.999 > 17 21 O 0.33333333333333 0.31456209550741 0.08333333333333 15.999 > 21 22 O 0.83333333333333 0.31456209550741 0.08333333333333 15.999 > 21 23 O 0.33333333333333 0.81456209550741 0.08333333333333 15.999 > 21 24 O 0.83333333333333 0.81456209550741 0.08333333333333 15.999 > 21 25 O 0.18543790449259 0.16666666666667 0.58333333333333 15.999 > 1 26 O 0.68543790449259 0.16666666666667 0.58333333333333 15.999 > 1 27 O 0.18543790449259 0.66666666666667 0.58333333333333 15.999 > 1 28 O 0.68543790449259 0.66666666666667 0.58333333333333 15.999 > 1 29 O 0.33333333333333 0.01877123782593 0.58333333333333 15.999 > 5 30 O 0.83333333333333 0.01877123782593 0.58333333333333 15.999 > 5 31 O 0.33333333333333 0.51877123782593 0.58333333333333 15.999 > 5 32 O 0.83333333333333 0.51877123782593 0.58333333333333 15.999 > 5 33 O 0.48122876217407 0.31456209550741 0.58333333333333 15.999 > 9 34 O 0.98122876217407 0.31456209550741 0.58333333333333 15.999 > 9 35 O 0.48122876217407 0.81456209550741 0.58333333333333 15.999 > 9 36 O 0.98122876217407 0.81456209550741 0.58333333333333 15.999 > 9 37 O 0.31456209550741 0.33333333333333 0.41666666666667 15.999 > 13 38 O 0.81456209550741 0.33333333333333 0.41666666666667 15.999 > 13 39 O 0.31456209550741 0.83333333333333 0.41666666666667 15.999 > 13 40 O 0.81456209550741 0.83333333333333 0.41666666666667 15.999 > 13 41 O 0.01877123782593 0.18543790449259 0.41666666666667 15.999 > 17 42 O 0.51877123782593 0.18543790449259 0.41666666666667 15.999 > 17 43 O 0.01877123782593 0.68543790449259 0.41666666666667 15.999 > 17 44 O 0.51877123782593 0.68543790449259 0.41666666666667 15.999 > 17 45 O 0.16666666666667 0.48122876217407 0.41666666666667 15.999 > 21 46 O 0.66666666666667 0.48122876217407 0.41666666666667 15.999 > 21 47 O 0.16666666666667 0.98122876217407 0.41666666666667 15.999 > 21 48 O 0.66666666666667 0.98122876217407 0.41666666666667 15.999 > 21 49 O 0.01877123782593 0.33333333333333 0.91666666666667 15.999 > 1 50 O 0.51877123782593 0.33333333333333 0.91666666666667 15.999 > 1 51 O 0.01877123782593 0.83333333333333 0.91666666666667 15.999 > 1 52 O 0.51877123782593 0.83333333333333 0.91666666666667 15.999 > 1 53 O 0.16666666666667 0.18543790449259 0.91666666666667 15.999 > 5 54 O 0.66666666666667 0.18543790449259 0.91666666666667 15.999 > 5 55 O 0.16666666666667 0.68543790449259 0.91666666666667 15.999 > 5 56 O 0.66666666666667 0.68543790449259 0.91666666666667 15.999 > 5 57 O 0.31456209550741 0.48122876217407 0.91666666666667 15.999 > 9 58 O 0.81456209550741 0.48122876217407 0.91666666666667 15.999 > 9 59 O 0.31456209550741 0.98122876217407 0.91666666666667 15.999 > 9 60 O 0.81456209550741 0.98122876217407 0.91666666666667 15.999 > 9 61 O 0.14789542884074 0.00000000000000 0.75000000000000 15.999 > 13 62 O 0.64789542884074 0.00000000000000 0.75000000000000 15.999 > 13 63 O 0.14789542884074 0.50000000000000 0.75000000000000 15.999 > 13 64 O 0.64789542884074 0.50000000000000 0.75000000000000 15.999 > 13 65 O 0.35210457115926 0.35210457115926 0.75000000000000 15.999 > 17 66 O 0.85210457115926 0.35210457115926 0.75000000000000 15.999 > 17 67 O 0.35210457115926 0.85210457115926 0.75000000000000 15.999 > 17 68 O 0.85210457115926 0.85210457115926 0.75000000000000 15.999 > 17 69 O 0.00000000000000 0.14789542884074 0.75000000000000 15.999 > 21 70 O 0.50000000000000 0.14789542884074 0.75000000000000 15.999 > 21 71 O 0.00000000000000 0.64789542884074 0.75000000000000 15.999 > 21 72 O 0.50000000000000 0.64789542884074 0.75000000000000 15.999 > 21 73 In 0.16666666666667 0.33333333333333 0.02405495594160 114.818 > 73 74 In 0.66666666666667 0.33333333333333 0.02405495594160 114.818 > 73 75 In 0.16666666666667 0.83333333333333 0.02405495594160 114.818 > 73 76 In 0.66666666666667 0.83333333333333 0.02405495594160 114.818 > 73 77 In 0.00000000000000 0.00000000000000 0.14261171072507 114.818 > 77 78 In 0.50000000000000 0.00000000000000 0.14261171072507 114.818 > 77 79 In 0.00000000000000 0.50000000000000 0.14261171072507 114.818 > 77 80 In 0.50000000000000 0.50000000000000 0.14261171072507 114.818 > 77 81 In 0.16666666666667 0.33333333333333 0.30927837739174 114.818 > 81 82 In 0.66666666666667 0.33333333333333 0.30927837739174 114.818 > 81 83 In 0.16666666666667 0.83333333333333 0.30927837739174 114.818 > 81 84 In 0.66666666666667 0.83333333333333 0.30927837739174 114.818 > 81 85 In 0.33333333333333 0.16666666666667 0.19072162260826 114.818 > 85 86 In 0.83333333333333 0.16666666666667 0.19072162260826 114.818 > 85 87 In 0.33333333333333 0.66666666666667 0.19072162260826 114.818 > 85 88 In 0.83333333333333 0.66666666666667 0.19072162260826 114.818 > 85 89 In 0.00000000000000 0.00000000000000 0.35738828927493 114.818 > 73 90 In 0.50000000000000 0.00000000000000 0.35738828927493 114.818 > 73 91 In 0.00000000000000 0.50000000000000 0.35738828927493 114.818 > 73 92 In 0.50000000000000 0.50000000000000 0.35738828927493 114.818 > 73 93 In 0.33333333333333 0.16666666666667 0.47594504405840 114.818 > 77 94 In 0.83333333333333 0.16666666666667 0.47594504405840 114.818 > 77 95 In 0.33333333333333 0.66666666666667 0.47594504405840 114.818 > 77 96 In 0.83333333333333 0.66666666666667 0.47594504405840 114.818 > 77 97 In 0.00000000000000 0.00000000000000 0.64261171072507 114.818 > 81 98 In 0.50000000000000 0.00000000000000 0.64261171072507 114.818 > 81 99 In 0.00000000000000 0.50000000000000 0.64261171072507 114.818 > 81 100 In 0.50000000000000 0.50000000000000 0.64261171072507 114.818 > 81 101 In 0.16666666666667 0.33333333333333 0.52405495594160 114.818 > 85 102 In 0.66666666666667 0.33333333333333 0.52405495594160 114.818 > 85 103 In 0.16666666666667 0.83333333333333 0.52405495594160 114.818 > 85 104 In 0.66666666666667 0.83333333333333 0.52405495594160 114.818 > 85 105 In 0.33333333333333 0.16666666666667 0.69072162260826 114.818 > 73 106 In 0.83333333333333 0.16666666666667 0.69072162260826 114.818 > 73 107 In 0.33333333333333 0.66666666666667 0.69072162260826 114.818 > 73 108 In 0.83333333333333 0.66666666666667 0.69072162260826 114.818 > 73 109 In 0.16666666666667 0.33333333333333 0.80927837739174 114.818 > 77 110 In 0.66666666666667 0.33333333333333 0.80927837739174 114.818 > 77 111 In 0.16666666666667 0.83333333333333 0.80927837739174 114.818 > 77 112 In 0.66666666666667 0.83333333333333 0.80927837739174 114.818 > 77 113 In 0.33333333333333 0.16666666666667 0.97594504405840 114.818 > 81 114 In 0.83333333333333 0.16666666666667 0.97594504405840 114.818 > 81 115 In 0.33333333333333 0.66666666666667 0.97594504405840 114.818 > 81 116 In 0.83333333333333 0.66666666666667 0.97594504405840 114.818 > 81 117 In 0.00000000000000 0.00000000000000 0.85738828927493 114.818 > 85 118 In 0.50000000000000 0.00000000000000 0.85738828927493 114.818 > 85 119 In 0.00000000000000 0.50000000000000 0.85738828927493 114.818 > 85 120 In 0.50000000000000 0.50000000000000 0.85738828927493 114.818 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.3788604 -0.0000000 0.0000000 0.0000000 5.3788604 0.0000000 0.0000000 0.0000000 4.9672375 -------------------------- Born effective charges -------------------------- 1 O -2.3603135 0.0000000 0.0000000 0.0000000 -2.1157631 0.3970129 0.0000000 0.5422388 -2.1624038 2 O -2.1769007 0.1058934 -0.3438232 0.1058934 -2.2991759 -0.1985064 -0.4695926 -0.2711194 -2.1624038 3 O -2.1769007 -0.1058934 0.3438232 -0.1058934 -2.2991759 -0.1985064 0.4695926 -0.2711194 -2.1624038 4 O -2.3603135 0.0000000 0.0000000 0.0000000 -2.1157631 0.3970129 0.0000000 0.5422388 -2.1624038 5 O -2.1769007 -0.1058934 0.3438232 -0.1058934 -2.2991759 -0.1985064 0.4695926 -0.2711194 -2.1624038 6 O -2.1769007 0.1058934 -0.3438232 0.1058934 -2.2991759 -0.1985064 -0.4695926 -0.2711194 -2.1624038 7 In 3.3570574 0.0195195 0.0000000 -0.0195195 3.3570574 0.0000000 0.0000000 0.0000000 3.2436057 8 In 3.3570574 -0.0195195 0.0000000 0.0195195 3.3570574 0.0000000 0.0000000 0.0000000 3.2436057 9 In 3.3570574 0.0195195 0.0000000 -0.0195195 3.3570574 0.0000000 0.0000000 0.0000000 3.2436057 10 In 3.3570574 -0.0195195 0.0000000 0.0195195 3.3570574 0.0000000 0.0000000 0.0000000 3.2436057 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xyx) -0.00000001 (xyx) -0.00000001 (xxy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 11 ] 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: 0.82, Number of G-points: 295, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/146) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.684 ( 0.000 0.000 0.000) 0.000 4.686 ( 0.000 0.000 0.000) 0.000 4.951 ( 0.000 0.000 0.000) 0.000 4.951 ( 0.000 0.000 0.000) 0.000 5.055 ( 0.000 0.000 0.000) 0.000 5.055 ( 0.000 0.000 0.000) 0.000 6.417 ( 0.000 0.000 0.000) 0.000 6.417 ( 0.000 0.000 0.000) 0.000 6.966 ( 0.000 0.000 0.000) 0.000 7.702 ( 0.000 0.000 0.000) 0.000 7.889 ( 0.000 0.000 0.000) 0.000 7.889 ( 0.000 0.000 0.000) 0.000 8.640 ( 0.000 0.000 0.000) 0.000 8.640 ( 0.000 0.000 0.000) 0.000 11.054 ( 0.000 0.000 0.000) 0.000 11.132 ( 0.000 0.000 0.000) 0.000 11.132 ( 0.000 0.000 0.000) 0.000 12.519 ( 0.000 0.000 0.000) 0.000 12.519 ( 0.000 0.000 0.000) 0.000 14.046 ( 0.000 0.000 0.000) 0.000 14.046 ( 0.000 0.000 0.000) 0.000 14.150 ( 0.000 0.000 0.000) 0.000 14.560 ( 0.000 0.000 0.000) 0.000 15.928 ( 0.000 0.000 0.000) 0.000 17.045 ( 0.000 0.000 0.000) 0.000 17.045 ( 0.000 0.000 0.000) 0.000 17.654 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/146) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 22.997 13.277 10.260) 28.468 0.630 ( 26.697 15.414 5.235) 31.269 1.237 ( 51.174 29.546 15.308) 61.042 3.602 ( -7.053 -4.072 -1.206) 8.232 4.590 ( -8.359 -4.826 0.188) 9.654 4.650 ( -12.351 -7.131 -12.666) 19.074 4.842 ( -8.742 -5.047 6.890) 12.222 5.148 ( 8.467 4.888 -12.685) 16.015 5.311 ( 8.520 4.919 13.357) 16.589 6.402 ( -3.315 -1.914 5.338) 6.569 6.404 ( 0.954 0.551 -6.827) 6.915 6.962 ( 0.109 0.063 -1.487) 1.492 7.637 ( -11.379 -6.570 11.137) 17.224 7.856 ( -3.841 -2.218 4.082) 6.028 8.088 ( 1.655 0.956 28.912) 28.976 8.715 ( 8.095 4.673 -6.145) 11.186 9.706 ( 4.138 2.389 20.334) 20.888 10.990 ( -5.401 -3.118 -1.736) 6.473 11.185 ( 3.763 2.173 3.466) 5.558 11.227 ( 8.564 4.944 0.355) 9.895 12.524 ( 1.555 0.898 -4.279) 4.641 13.772 ( -11.891 -6.865 -3.024) 14.060 14.026 ( 1.213 0.700 -22.032) 22.076 14.031 ( -1.388 -0.801 0.139) 1.608 14.676 ( 7.195 4.154 2.446) 8.661 15.862 ( -5.499 -3.175 -1.196) 6.462 17.041 ( -3.126 -1.805 12.809) 13.308 17.061 ( 2.252 1.300 -2.942) 3.927 17.114 ( 5.367 3.099 -6.932) 9.298 17.637 ( -1.518 -0.876 -0.031) 1.753 ======================= Grid point 2 (3/146) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 21.960 12.679 9.234) 26.986 1.229 ( 24.959 14.410 4.386) 29.152 2.421 ( 47.719 27.551 13.898) 56.827 3.373 ( -12.143 -7.011 -2.088) 14.176 4.310 ( -11.498 -6.639 -11.802) 17.764 4.352 ( -13.624 -7.866 3.234) 16.060 4.656 ( -10.060 -5.808 -1.867) 11.766 5.238 ( 6.453 3.725 -10.236) 12.661 5.561 ( 6.109 3.527 15.635) 17.152 6.319 ( -8.056 -4.651 7.750) 12.107 6.384 ( 3.358 1.939 -14.121) 14.644 6.947 ( -0.933 -0.539 -2.090) 2.351 7.506 ( -5.673 -3.275 7.437) 9.911 7.786 ( -4.843 -2.796 4.803) 7.371 8.291 ( 2.516 1.453 21.541) 21.736 8.888 ( 11.350 6.553 -9.628) 16.262 9.988 ( 9.990 5.768 16.089) 19.797 10.811 ( -8.697 -5.021 -4.194) 10.883 11.336 ( 6.795 3.923 7.032) 10.536 11.500 ( 15.213 8.783 1.790) 17.658 12.529 ( 2.433 1.405 -8.562) 9.011 13.438 ( -17.792 -10.272 5.302) 21.218 13.905 ( -2.201 -1.271 -12.540) 12.795 13.988 ( -2.596 -1.499 0.405) 3.025 14.835 ( 4.624 2.670 4.425) 6.935 15.679 ( -9.613 -5.550 -3.593) 11.667 17.070 ( -1.208 -0.697 11.275) 11.361 17.103 ( 3.718 2.147 -5.007) 6.596 17.199 ( 6.180 3.568 -7.224) 10.154 17.591 ( -2.582 -1.491 0.391) 3.007 ======================= Grid point 3 (4/146) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 20.370 11.761 7.945) 24.827 1.774 ( 22.424 12.946 3.096) 26.077 3.087 ( -11.681 -6.744 -1.336) 13.554 3.449 ( 34.627 19.992 10.061) 41.230 3.996 ( -10.854 -6.266 -10.311) 16.229 4.062 ( -12.144 -7.011 2.587) 14.259 4.395 ( -9.939 -5.738 -3.129) 11.895 5.321 ( 6.616 3.820 -7.632) 10.799 5.776 ( 3.651 2.108 17.947) 18.435 6.158 ( -10.781 -6.224 9.369) 15.580 6.375 ( 5.523 3.189 -20.359) 21.334 6.866 ( -5.620 -3.244 -3.292) 7.276 7.476 ( -2.232 -1.289 9.403) 9.750 7.710 ( -4.308 -2.487 3.382) 6.015 8.477 ( 3.466 2.001 17.918) 18.359 9.065 ( 10.194 5.885 -11.702) 16.597 10.292 ( 8.171 4.718 13.217) 16.240 10.583 ( -8.320 -4.803 -6.058) 11.357 11.562 ( 8.614 4.973 10.486) 14.453 11.886 ( 17.687 10.212 2.895) 20.628 12.516 ( 2.205 1.273 -12.680) 12.933 13.099 ( -15.993 -9.233 7.597) 19.968 13.787 ( -2.579 -1.489 -7.101) 7.701 13.926 ( -3.267 -1.886 1.006) 3.904 14.922 ( 0.160 0.093 6.636) 6.639 15.411 ( -11.141 -6.433 -7.246) 14.765 17.122 ( -0.087 -0.050 9.583) 9.584 17.158 ( 4.363 2.519 -6.146) 7.947 17.286 ( 5.332 3.079 -6.151) 8.703 17.533 ( -3.174 -1.833 1.384) 3.918 ======================= Grid point 4 (5/146) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 18.172 10.492 6.646) 22.010 2.250 ( 19.572 11.300 1.683) 22.662 2.885 ( -6.302 -3.638 0.752) 7.316 3.536 ( -18.189 -10.502 1.570) 21.062 3.710 ( -9.375 -5.413 -8.218) 13.591 3.927 ( -10.134 -5.851 -5.927) 13.117 4.650 ( 31.011 17.904 8.351) 36.769 5.450 ( 8.917 5.148 -4.156) 11.103 5.855 ( -8.358 -4.825 10.533) 14.286 6.063 ( -2.434 -1.405 19.972) 20.168 6.363 ( 5.860 3.383 -24.407) 25.328 6.637 ( -12.911 -7.454 -5.381) 15.850 7.506 ( -0.797 -0.460 9.364) 9.409 7.642 ( -2.961 -1.710 0.757) 3.502 8.676 ( 5.114 2.952 16.051) 17.103 9.159 ( 4.717 2.723 -13.207) 14.286 10.410 ( -2.832 -1.635 -7.154) 7.867 10.469 ( 0.903 0.521 9.957) 10.012 11.833 ( 8.842 5.105 13.509) 16.933 12.267 ( 14.207 8.203 2.390) 16.578 12.461 ( 1.003 0.579 -15.537) 15.581 12.853 ( -10.525 -6.077 7.539) 14.301 13.719 ( -0.223 -0.129 -3.782) 3.791 13.862 ( -3.391 -1.958 1.940) 4.370 14.929 ( -3.669 -2.118 8.975) 9.924 15.129 ( -8.485 -4.899 -11.074) 14.786 17.181 ( 0.156 0.090 8.572) 8.573 17.213 ( 4.182 2.414 -7.015) 8.516 17.351 ( 3.853 2.225 -5.529) 7.097 17.473 ( -3.459 -1.997 2.929) 4.953 ======================= Grid point 5 (6/146) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 14.229 8.215 4.702) 17.090 2.668 ( 17.878 10.322 1.409) 20.692 2.772 ( -6.046 -3.490 -0.920) 7.041 3.098 ( -20.120 -11.616 -0.866) 23.248 3.541 ( -0.790 -0.456 -3.152) 3.281 3.656 ( -9.820 -5.670 -2.701) 11.657 5.317 ( 23.438 13.532 -2.847) 27.213 5.653 ( -13.746 -7.936 8.771) 18.134 5.711 ( 16.257 9.386 6.122) 19.745 6.133 ( -9.110 -5.260 5.537) 11.888 6.283 ( -11.920 -6.882 10.474) 17.296 6.319 ( 4.420 2.552 -26.291) 26.782 7.547 ( -0.056 -0.032 6.743) 6.743 7.590 ( -1.272 -0.734 -2.881) 3.234 8.897 ( 5.795 3.346 15.154) 16.566 9.092 ( -2.644 -1.526 -14.341) 14.663 10.387 ( 4.560 2.633 -7.554) 9.208 10.465 ( -5.486 -3.167 8.056) 10.248 12.102 ( 6.804 3.928 15.952) 17.782 12.314 ( -2.858 -1.650 -16.527) 16.853 12.558 ( 9.024 5.210 -0.284) 10.424 12.710 ( -6.843 -3.951 4.169) 8.933 13.733 ( 2.909 1.679 -2.265) 4.051 13.798 ( -3.803 -2.196 2.361) 4.986 14.899 ( -4.036 -2.330 11.446) 12.358 14.938 ( -1.481 -0.855 -12.869) 12.982 17.230 ( -0.767 -0.443 8.601) 8.647 17.245 ( 2.836 1.637 -8.232) 8.860 17.389 ( 2.938 1.696 -5.631) 6.574 17.422 ( -3.276 -1.892 4.887) 6.181 ======================= Grid point 12 (7/146) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -0.000 24.738 17.539) 30.324 0.749 ( -0.000 28.052 16.166) 32.377 1.312 ( -0.000 51.976 23.682) 57.117 3.594 ( 0.000 -7.648 -1.955) 7.894 4.474 ( 0.000 -15.535 -11.026) 19.050 4.732 ( 0.000 -0.957 -5.599) 5.680 4.851 ( -0.000 -13.854 7.577) 15.790 5.055 ( 0.000 6.517 -12.744) 14.314 5.368 ( -0.000 7.566 11.611) 13.859 6.291 ( 0.000 -9.000 -6.299) 10.985 6.526 ( -0.000 7.649 5.268) 9.288 6.945 ( 0.000 0.010 -3.365) 3.365 7.824 ( -0.000 -3.448 1.221) 3.658 7.897 ( -0.000 -3.686 7.496) 8.353 8.094 ( -0.000 -20.019 35.663) 40.898 8.862 ( -0.000 13.312 8.726) 15.917 9.709 ( -0.000 -14.975 20.852) 25.672 10.986 ( 0.000 -6.028 -1.852) 6.306 11.148 ( 0.000 1.957 -0.620) 2.052 11.261 ( -0.000 11.009 3.844) 11.661 12.600 ( -0.000 5.836 3.634) 6.875 13.708 ( 0.000 5.464 -19.471) 20.223 13.892 ( 0.000 0.484 -17.077) 17.084 14.095 ( -0.000 0.583 7.077) 7.101 14.688 ( -0.000 7.766 3.316) 8.444 15.855 ( 0.000 -6.106 -1.984) 6.420 16.820 ( 0.000 -10.362 -5.672) 11.813 17.073 ( 0.000 3.837 -1.643) 4.174 17.277 ( -0.000 5.242 5.730) 7.766 17.635 ( 0.000 -1.895 -0.223) 1.908 ======================= Grid point 13 (8/146) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 7.958 20.458 17.314) 27.958 1.185 ( 10.404 26.022 10.408) 29.895 2.215 ( 29.509 43.276 19.877) 56.024 3.436 ( -6.888 -10.067 -2.322) 12.417 4.218 ( -3.428 -15.353 -12.101) 19.847 4.543 ( -12.529 -4.844 -0.961) 13.467 4.757 ( -6.118 -7.833 1.962) 10.130 5.052 ( 5.689 0.756 -12.882) 14.103 5.572 ( 7.893 3.775 11.409) 14.378 6.149 ( 1.681 -13.232 -9.473) 16.360 6.578 ( -7.802 9.594 5.029) 13.349 6.934 ( 0.852 0.682 -3.680) 3.839 7.674 ( -10.497 -2.564 11.987) 16.139 7.910 ( -4.769 0.668 5.286) 7.151 8.249 ( 11.036 -11.390 21.858) 27.006 8.946 ( -6.783 16.288 1.746) 17.730 9.874 ( 16.097 -5.006 11.825) 20.592 10.846 ( -6.007 -7.592 -4.387) 10.629 11.241 ( 8.307 1.611 1.639) 8.619 11.478 ( 6.768 15.322 5.609) 17.664 12.603 ( -7.992 9.905 -0.182) 12.729 13.523 ( -6.785 -19.706 2.396) 20.978 13.846 ( 0.234 7.627 -17.261) 18.873 14.098 ( -6.047 2.173 7.758) 10.074 14.824 ( 4.187 4.811 5.456) 8.393 15.714 ( -6.103 -8.714 -3.655) 11.249 16.810 ( 12.841 -9.279 -8.759) 18.103 17.110 ( 0.705 4.419 -1.386) 4.685 17.313 ( -4.151 6.896 3.408) 8.741 17.603 ( -0.984 -2.627 -0.021) 2.806 ======================= Grid point 14 (9/146) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 12.822 15.848 13.291) 24.335 1.674 ( 14.144 21.406 7.247) 26.661 3.179 ( -9.143 -8.905 -1.204) 12.820 3.218 ( 30.848 32.451 14.179) 46.965 3.942 ( -4.458 -12.970 -10.708) 17.400 4.254 ( -14.693 -8.057 0.694) 16.771 4.531 ( -12.605 -3.088 -3.267) 13.382 5.096 ( 10.382 -5.144 -8.228) 14.211 5.818 ( 9.081 2.870 11.389) 14.847 5.981 ( 3.562 -17.409 -11.266) 21.041 6.534 ( -11.103 11.163 1.605) 15.826 6.908 ( -3.348 0.212 -2.906) 4.438 7.612 ( -6.259 0.047 14.481) 15.776 7.842 ( -7.905 0.553 6.121) 10.014 8.465 ( 9.724 -5.738 17.664) 20.964 9.014 ( -0.802 13.450 -6.153) 14.812 10.189 ( 15.926 -1.143 8.522) 18.099 10.618 ( -7.779 -7.515 -6.884) 12.821 11.454 ( 12.806 1.146 5.234) 13.881 11.822 ( 10.911 17.083 6.123) 21.174 12.549 ( -8.201 10.336 -4.704) 14.008 13.216 ( -9.236 -20.050 5.965) 22.867 13.796 ( -2.849 4.246 -8.629) 10.031 14.051 ( -7.978 3.012 7.295) 11.222 14.950 ( 2.249 0.838 7.790) 8.151 15.459 ( -9.560 -9.788 -6.933) 15.338 16.902 ( 13.879 -6.789 -9.784) 18.288 17.161 ( 1.064 4.097 -0.127) 4.234 17.333 ( -2.634 6.026 1.125) 6.672 17.559 ( -1.542 -2.530 0.861) 3.086 ======================= Grid point 15 (10/146) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 14.906 11.658 9.648) 21.241 2.134 ( 14.336 17.429 4.951) 23.104 2.955 ( -7.096 -6.021 1.140) 9.376 3.628 ( -5.808 -12.668 -2.438) 14.148 3.794 ( -10.578 -1.771 -4.134) 11.495 4.006 ( -6.364 -0.134 -5.426) 8.364 4.480 ( 14.353 14.929 7.334) 21.970 5.209 ( 14.216 -4.910 -3.102) 15.357 5.797 ( 4.108 -20.435 -10.002) 23.119 6.055 ( 7.986 3.258 8.584) 12.169 6.466 ( -11.240 12.624 0.333) 16.906 6.760 ( -11.202 -2.760 -3.677) 12.109 7.625 ( -4.420 1.001 14.373) 15.071 7.749 ( -7.867 0.453 4.612) 9.131 8.683 ( 8.035 -1.016 16.071) 17.997 9.074 ( 1.217 7.903 -10.866) 13.492 10.394 ( -4.794 -5.080 -8.309) 10.855 10.434 ( 9.150 -2.174 5.300) 10.795 11.735 ( 14.457 1.107 8.320) 16.717 12.189 ( 10.383 12.596 2.619) 16.533 12.479 ( -7.401 10.519 -4.968) 13.788 12.945 ( -7.033 -16.267 7.418) 19.212 13.745 ( -2.898 4.190 -4.185) 6.593 13.990 ( -8.361 3.110 7.192) 11.459 15.000 ( -1.459 -3.330 8.895) 9.609 15.157 ( -9.477 -6.909 -10.009) 15.419 17.001 ( 11.802 -4.493 -9.656) 15.897 17.218 ( 1.085 3.388 1.154) 3.740 17.350 ( -0.765 3.082 -0.987) 3.325 17.519 ( -2.101 -1.461 2.249) 3.407 ======================= Grid point 16 (11/146) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 14.978 7.961 6.729) 18.248 2.537 ( 13.687 13.895 3.164) 19.760 2.834 ( -5.405 -4.067 2.126) 7.091 3.305 ( -17.553 -12.544 0.250) 21.576 3.532 ( -4.454 -2.836 -5.380) 7.538 3.760 ( -11.593 -5.136 -5.707) 13.905 5.027 ( 21.960 9.753 -2.528) 24.161 5.478 ( 17.092 -1.893 6.771) 18.482 5.628 ( 7.601 -13.795 -6.018) 16.861 6.212 ( 1.537 7.192 -4.740) 8.750 6.376 ( -18.472 3.121 -0.471) 18.740 6.488 ( -9.141 -0.889 5.839) 10.883 7.650 ( -4.235 1.533 11.996) 12.814 7.653 ( -6.592 0.574 1.511) 6.788 8.913 ( 7.301 2.199 14.400) 16.294 9.039 ( -2.201 1.218 -12.805) 13.049 10.286 ( 2.275 -0.455 -9.294) 9.579 10.511 ( 0.924 -4.929 4.107) 6.482 12.037 ( 13.352 0.845 9.648) 16.495 12.265 ( -3.481 1.397 -11.773) 12.356 12.568 ( 1.253 12.004 6.532) 13.724 12.775 ( -3.778 -10.445 6.004) 12.626 13.738 ( -0.805 4.817 -1.846) 5.221 13.923 ( -8.396 2.387 6.608) 10.948 14.882 ( -3.909 -3.637 -11.575) 12.747 15.014 ( -4.155 -2.636 9.611) 10.797 17.080 ( 8.933 -2.724 -9.264) 13.155 17.268 ( 0.395 0.846 3.661) 3.779 17.353 ( 0.711 1.342 -4.142) 4.412 17.491 ( -2.589 -0.184 3.801) 4.603 ======================= Grid point 17 (12/146) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( -12.112 -8.392 -1.745) 14.838 2.680 ( 9.184 3.543 2.903) 10.263 2.889 ( -12.595 -5.427 -0.235) 13.717 2.916 ( 10.030 8.359 2.272) 13.252 3.549 ( -2.313 -2.398 -1.597) 3.695 3.587 ( 7.099 5.833 2.299) 9.472 5.329 ( 15.441 -4.105 -7.833) 17.794 5.389 ( 3.635 -20.150 -2.924) 20.683 5.872 ( -24.618 -6.990 -9.141) 27.174 6.065 ( 18.516 11.988 9.812) 24.142 6.193 ( -6.955 11.836 -14.558) 20.009 6.535 ( -2.202 0.725 19.855) 19.990 7.563 ( -4.753 0.814 -2.237) 5.315 7.665 ( -3.914 2.674 8.591) 9.812 8.864 ( -5.718 -3.509 -14.820) 16.268 9.140 ( 5.179 3.028 14.108) 15.330 10.324 ( 7.080 1.901 -9.657) 12.124 10.459 ( -3.102 -5.089 4.502) 7.469 12.078 ( -6.739 -1.649 -12.997) 14.733 12.313 ( 9.581 -0.566 11.600) 15.056 12.639 ( -4.213 -2.351 -0.643) 4.867 12.698 ( -2.145 0.891 5.715) 6.169 13.783 ( 1.232 4.907 -1.000) 5.157 13.847 ( -7.558 2.765 5.398) 9.691 14.787 ( 2.395 1.366 -11.595) 11.918 15.012 ( -1.061 -1.356 11.657) 11.784 17.122 ( 5.191 -0.859 -9.519) 10.877 17.278 ( -1.004 -5.363 7.033) 8.901 17.363 ( 2.470 3.363 -6.943) 8.100 17.476 ( -2.858 0.672 4.884) 5.699 ======================= Grid point 18 (13/146) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( -17.150 -10.033 -3.276) 20.137 2.502 ( -20.026 -6.119 -0.613) 20.949 2.810 ( 4.613 0.756 -0.397) 4.691 3.301 ( 18.574 7.651 -0.362) 20.092 3.630 ( 9.937 3.527 4.908) 11.631 3.872 ( 11.384 11.093 6.423) 17.143 4.999 ( -28.725 -14.747 -4.018) 32.539 5.353 ( 0.034 -18.927 -8.218) 20.634 5.611 ( 13.711 -0.292 -6.480) 15.168 6.058 ( -8.782 8.398 -14.150) 18.651 6.498 ( 10.024 6.244 9.716) 15.293 6.631 ( -0.019 3.849 15.429) 15.902 7.486 ( -2.869 0.970 -4.994) 5.841 7.686 ( -2.779 4.386 5.329) 7.440 8.625 ( -6.017 -5.685 -14.871) 17.019 9.290 ( -0.809 1.531 12.616) 12.734 10.372 ( 3.573 -0.210 -10.442) 11.039 10.422 ( 0.341 -1.834 4.814) 5.162 11.843 ( -8.993 -4.140 -10.293) 14.282 12.427 ( -9.721 -3.018 1.252) 10.256 12.540 ( 3.555 -1.545 7.001) 8.002 12.711 ( 2.293 -0.219 -0.570) 2.373 13.807 ( -4.415 4.923 4.952) 8.262 13.855 ( 1.253 4.781 -0.119) 4.944 14.813 ( 5.555 1.290 -7.843) 9.697 15.114 ( 4.982 1.711 9.519) 10.880 17.116 ( 1.429 1.379 -10.439) 10.626 17.230 ( -1.530 -8.281 6.270) 10.499 17.408 ( 3.544 1.986 -3.478) 5.348 17.465 ( -3.538 1.630 4.414) 5.887 ======================= Grid point 19 (14/146) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -20.698 -9.110 -3.559) 22.893 2.078 ( -24.166 -5.448 -0.999) 24.793 2.948 ( 10.899 2.855 0.260) 11.269 3.603 ( 7.985 0.365 -3.139) 8.587 3.909 ( 10.105 4.835 6.505) 12.954 4.077 ( -12.674 -0.560 1.543) 12.780 4.408 ( -7.224 4.666 0.712) 8.630 5.204 ( 7.053 -18.521 -4.950) 20.427 5.779 ( 3.043 2.528 -6.967) 8.012 5.935 ( 2.313 2.030 -7.913) 8.490 6.590 ( -4.669 -0.279 12.724) 13.557 6.836 ( 6.040 5.930 4.365) 9.524 7.431 ( -0.736 1.117 -5.222) 5.390 7.727 ( -1.364 6.179 2.862) 6.945 8.384 ( -4.475 -7.369 -14.320) 16.715 9.288 ( -8.975 0.354 10.813) 14.057 10.267 ( -5.117 -4.634 -11.745) 13.624 10.516 ( 7.193 1.720 4.092) 8.453 11.591 ( -9.346 -4.878 -7.026) 12.669 12.124 ( -19.026 -3.908 -2.228) 19.551 12.632 ( -1.098 0.127 9.934) 9.995 12.833 ( 15.087 1.096 -5.023) 15.939 13.845 ( -1.092 5.215 5.941) 7.980 13.924 ( 1.729 4.306 0.248) 4.647 14.862 ( 3.421 0.310 -4.934) 6.012 15.312 ( 10.293 2.266 5.936) 12.096 17.068 ( -1.079 2.037 -10.982) 11.221 17.162 ( -1.290 -8.556 6.298) 10.702 17.431 ( -4.730 1.319 4.638) 6.755 17.477 ( 3.664 1.621 -2.108) 4.528 ======================= Grid point 20 (15/146) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -24.126 -6.484 -2.942) 25.154 1.596 ( -28.086 -3.653 -0.926) 28.338 3.021 ( -51.036 -10.094 -5.431) 52.307 3.204 ( 14.813 3.018 0.902) 15.144 4.078 ( 16.418 0.088 1.553) 16.492 4.238 ( 13.808 5.209 1.404) 14.824 4.623 ( 6.161 9.569 5.231) 12.526 5.161 ( 8.426 -12.499 -2.018) 15.209 5.642 ( -11.478 2.886 -5.991) 13.266 6.092 ( 13.494 -1.108 -2.403) 13.751 6.564 ( -5.945 0.618 6.928) 9.150 6.952 ( 1.631 2.107 1.450) 3.034 7.431 ( 2.701 1.244 -2.820) 4.098 7.793 ( -0.298 7.579 1.613) 7.754 8.158 ( -3.356 -9.095 -12.239) 15.613 9.158 ( -13.953 0.993 7.350) 15.802 10.002 ( -10.778 -5.916 -10.053) 15.881 10.707 ( 10.228 2.108 2.343) 10.703 11.371 ( -7.984 -3.500 -3.642) 9.447 11.747 ( -20.425 -2.605 -1.319) 20.633 12.642 ( -3.562 0.656 5.498) 6.584 13.133 ( 21.112 2.456 -3.151) 21.487 13.934 ( 2.631 2.858 4.868) 6.228 13.994 ( 1.740 3.322 1.300) 3.969 14.853 ( -1.641 -0.669 -2.404) 2.987 15.546 ( 12.145 1.405 2.333) 12.447 16.990 ( -1.575 -0.684 -7.325) 7.524 17.110 ( -1.340 -4.384 3.381) 5.696 17.376 ( -6.553 1.699 3.230) 7.501 17.544 ( 3.891 0.635 -0.647) 3.995 ======================= Grid point 21 (16/146) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -26.872 0.000 0.000) 26.872 1.083 ( -31.230 0.000 0.000) 31.230 2.020 ( -59.161 0.000 0.000) 59.161 3.458 ( 12.798 -0.000 -0.000) 12.798 4.368 ( 16.832 -0.000 -0.000) 16.832 4.509 ( 14.975 -0.000 -0.000) 14.975 4.756 ( 3.341 -0.000 -0.000) 3.341 5.205 ( 3.115 -0.000 -0.000) 3.115 5.433 ( -12.616 0.000 0.000) 12.616 6.271 ( 9.411 -0.000 -0.000) 9.411 6.497 ( -4.988 0.000 0.000) 4.988 6.972 ( -0.258 0.000 0.000) 0.258 7.508 ( 6.456 -0.000 -0.000) 6.456 7.863 ( 0.867 -0.000 -0.000) 0.867 7.982 ( -3.698 0.000 0.000) 3.698 8.948 ( -14.740 0.000 0.000) 14.740 9.746 ( -10.778 0.000 0.000) 10.778 10.890 ( 9.081 -0.000 -0.000) 9.081 11.228 ( -5.695 0.000 0.000) 5.695 11.420 ( -16.411 0.000 0.000) 16.411 12.600 ( -4.043 0.000 0.000) 4.043 13.497 ( 21.515 -0.000 -0.000) 21.515 14.013 ( 2.531 -0.000 -0.000) 2.531 14.062 ( 3.483 -0.000 -0.000) 3.483 14.772 ( -6.357 0.000 0.000) 6.357 15.748 ( 10.165 -0.000 -0.000) 10.165 16.940 ( -0.007 0.000 0.000) 0.007 17.076 ( -1.504 0.000 0.000) 1.504 17.284 ( -7.276 0.000 0.000) 7.276 17.603 ( 2.982 -0.000 -0.000) 2.982 ======================= Grid point 24 (17/146) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -0.000 22.354 15.015) 26.929 1.460 ( -0.000 25.736 15.403) 29.993 2.540 ( -0.000 47.536 19.804) 51.496 3.376 ( 0.000 -11.756 -1.786) 11.891 4.017 ( 0.000 -14.844 -13.293) 19.926 4.630 ( -0.000 -17.150 4.002) 17.611 4.659 ( 0.000 -1.207 -3.788) 3.976 4.957 ( 0.000 1.386 -15.078) 15.142 5.578 ( -0.000 -0.391 11.464) 11.471 5.928 ( 0.000 -16.791 -11.814) 20.530 6.802 ( -0.000 12.317 6.262) 13.818 6.892 ( 0.000 0.486 -5.195) 5.218 7.892 ( -0.000 3.480 10.621) 11.177 7.951 ( -0.000 -2.286 10.616) 10.860 8.171 ( -0.000 -7.389 17.821) 19.292 9.240 ( -0.000 14.170 7.098) 15.848 9.659 ( -0.000 -6.684 3.578) 7.582 10.791 ( 0.000 -10.068 -4.321) 10.956 11.186 ( 0.000 3.377 -1.615) 3.743 11.625 ( -0.000 18.729 7.845) 20.305 12.809 ( -0.000 9.860 4.666) 10.908 13.367 ( -0.000 -24.807 2.203) 24.904 13.843 ( 0.000 12.658 -16.550) 20.836 14.247 ( -0.000 1.174 14.494) 14.541 14.871 ( -0.000 4.732 6.128) 7.742 15.661 ( 0.000 -9.566 -4.388) 10.524 16.540 ( 0.000 -8.243 -10.293) 13.187 17.137 ( 0.000 5.644 -3.264) 6.520 17.417 ( -0.000 4.105 2.368) 4.739 17.576 ( -0.000 -3.914 -0.275) 3.924 ======================= Grid point 25 (18/146) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 4.115 19.209 14.455) 24.390 1.803 ( 2.939 23.820 11.668) 26.686 3.205 ( -5.539 -10.598 -0.431) 11.966 3.245 ( 17.408 38.171 15.033) 44.565 3.794 ( -1.087 -11.506 -12.340) 16.907 4.366 ( -10.444 -13.499 0.047) 17.067 4.649 ( -3.912 -2.541 -1.874) 5.027 4.851 ( 3.287 -5.066 -11.795) 13.251 5.635 ( 2.463 -15.139 -8.464) 17.519 5.766 ( 8.414 -6.796 4.505) 11.716 6.796 ( -7.343 6.199 -1.262) 9.692 6.959 ( -1.065 7.025 1.532) 7.269 7.858 ( -9.799 1.860 17.133) 19.824 8.012 ( -5.343 2.029 7.060) 9.083 8.336 ( 11.501 -3.448 15.989) 19.995 9.221 ( -11.522 9.888 -0.371) 15.188 9.878 ( 21.280 -2.667 2.440) 21.584 10.606 ( -5.652 -10.018 -6.581) 13.252 11.294 ( 9.628 2.955 -0.263) 10.075 11.909 ( 4.885 19.690 8.504) 21.997 12.839 ( -10.408 11.748 2.660) 15.920 13.121 ( -2.672 -24.455 3.755) 24.885 13.848 ( -2.213 9.205 -10.121) 13.859 14.291 ( -7.523 2.394 15.560) 17.448 14.971 ( 2.207 1.425 8.162) 8.574 15.463 ( -7.677 -10.253 -6.501) 14.364 16.528 ( 13.627 -6.680 -11.725) 19.177 17.177 ( 0.974 5.648 -3.805) 6.879 17.430 ( -3.132 1.975 1.294) 3.922 17.543 ( 0.618 -3.205 0.434) 3.292 ======================= Grid point 26 (19/146) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 5.406 15.583 12.819) 20.890 2.158 ( 7.821 19.295 7.006) 21.967 3.015 ( -6.260 -7.017 2.171) 9.651 3.538 ( -1.786 -12.076 -5.439) 13.364 3.909 ( 2.563 15.569 -0.918) 15.806 4.061 ( -8.240 -7.994 -3.637) 12.043 4.510 ( -1.890 4.806 -0.562) 5.195 4.913 ( 13.971 -4.162 0.501) 14.586 5.406 ( 5.000 -21.881 -17.253) 28.309 5.970 ( 11.389 -1.513 9.016) 14.604 6.725 ( -7.182 5.939 -1.340) 9.415 6.937 ( -10.394 5.761 1.233) 11.948 7.845 ( -7.818 2.317 17.756) 19.538 7.940 ( -9.426 1.317 6.045) 11.275 8.611 ( 10.972 0.831 14.585) 18.270 9.133 ( -5.991 6.198 -6.560) 10.832 10.192 ( 17.490 -3.300 0.673) 17.811 10.369 ( -5.691 -7.759 -9.030) 13.196 11.536 ( 15.111 2.531 2.556) 15.534 12.217 ( 4.566 15.859 5.308) 17.335 12.760 ( -10.804 6.308 3.346) 12.950 12.896 ( -4.279 -14.299 4.688) 15.644 13.827 ( -3.561 7.251 -5.359) 9.694 14.259 ( -10.799 3.624 14.382) 18.347 15.034 ( -1.262 -4.487 7.398) 8.744 15.182 ( -8.135 -6.696 -7.515) 12.942 16.656 ( 16.055 -4.662 -11.254) 20.153 17.227 ( 1.741 5.472 -4.291) 7.168 17.384 ( -2.580 -2.185 1.175) 3.579 17.539 ( -0.058 -0.663 1.380) 1.532 ======================= Grid point 27 (20/146) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 7.495 11.359 9.369) 16.522 2.500 ( 9.830 14.233 4.203) 17.801 2.904 ( -5.008 -3.598 4.515) 7.643 3.366 ( -3.248 -8.750 -1.317) 9.426 3.636 ( -16.236 -7.631 -3.230) 18.228 3.853 ( -11.593 -4.910 -9.621) 15.846 4.747 ( 16.199 2.319 -5.031) 17.120 5.160 ( 8.767 -21.477 -11.020) 25.682 5.326 ( 20.701 11.189 5.475) 24.160 6.184 ( 8.789 1.071 5.063) 10.200 6.641 ( -8.421 -0.247 -0.225) 8.427 6.749 ( -18.345 7.301 1.709) 19.819 7.818 ( -9.943 0.970 3.755) 10.673 7.854 ( -7.110 2.634 15.858) 17.577 8.880 ( 8.564 3.560 10.583) 14.072 9.040 ( -4.032 0.968 -7.553) 8.616 10.192 ( -0.590 -3.851 -9.930) 10.667 10.380 ( 9.772 -5.271 -0.597) 11.119 11.852 ( 16.503 2.670 5.119) 17.484 12.327 ( -5.994 6.784 -4.477) 10.100 12.694 ( 1.063 -11.651 8.903) 14.702 12.801 ( -7.255 8.659 5.073) 12.383 13.812 ( -2.941 6.517 -2.615) 7.613 14.189 ( -12.109 3.798 12.336) 17.698 14.852 ( -6.127 -5.152 -10.883) 13.510 15.100 ( -2.583 -3.088 8.598) 9.494 16.805 ( 13.789 -2.680 -9.644) 17.039 17.280 ( 1.968 5.300 -5.226) 7.699 17.328 ( -1.375 -4.825 2.206) 5.481 17.539 ( -0.883 -0.033 2.165) 2.338 ======================= Grid point 28 (21/146) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( 7.834 5.624 5.077) 10.898 2.748 ( -7.843 -4.732 1.374) 9.263 2.817 ( 8.291 9.298 2.619) 12.730 3.122 ( -17.410 -7.462 1.403) 18.993 3.523 ( 5.579 4.483 0.463) 7.172 3.583 ( -5.998 -4.501 -4.586) 8.790 4.966 ( 14.964 -9.186 -7.988) 19.290 4.990 ( 11.432 -18.787 -12.426) 25.260 5.881 ( 19.416 14.203 7.343) 25.152 6.290 ( -25.715 -1.823 -4.297) 26.135 6.317 ( -0.239 6.085 0.607) 6.120 6.666 ( -3.937 1.651 9.045) 10.002 7.683 ( -9.001 0.803 0.787) 9.071 7.858 ( -6.889 3.534 12.893) 15.039 8.843 ( -6.367 -2.531 -13.921) 15.516 9.153 ( 7.040 2.971 13.186) 15.241 10.163 ( 6.101 0.334 -9.659) 11.430 10.424 ( 3.045 -6.091 0.525) 6.830 12.154 ( 1.939 4.588 0.438) 5.000 12.188 ( 0.913 -0.752 -0.340) 1.231 12.653 ( -0.018 -6.222 2.009) 6.539 12.798 ( -5.897 0.889 6.573) 8.875 13.827 ( -0.957 5.838 -0.993) 5.998 14.094 ( -11.749 4.541 9.250) 15.628 14.709 ( -0.343 0.856 -11.244) 11.281 15.083 ( -1.984 -3.269 9.534) 10.273 16.932 ( 10.125 -0.622 -7.947) 12.887 17.272 ( -0.812 -6.238 2.177) 6.656 17.324 ( 1.514 4.234 -4.666) 6.480 17.538 ( -1.136 0.093 2.904) 3.120 ======================= Grid point 29 (22/146) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( -15.413 -7.008 -1.023) 16.962 2.718 ( -4.543 -1.206 -0.430) 4.720 2.800 ( -10.717 -2.331 1.860) 11.124 3.097 ( 12.990 5.597 -0.547) 14.155 3.532 ( 7.088 1.648 1.732) 7.481 3.828 ( 12.989 12.206 7.426) 19.309 4.827 ( 9.390 -22.814 -12.647) 27.724 5.175 ( 14.028 -4.829 -4.433) 15.484 5.709 ( -31.950 -2.796 -3.265) 32.238 6.179 ( -2.210 4.670 -4.559) 6.890 6.462 ( 8.396 12.878 3.083) 15.679 6.711 ( 1.526 -2.797 11.455) 11.890 7.554 ( -6.920 0.715 -1.650) 7.150 7.860 ( -6.161 4.873 9.876) 12.620 8.595 ( -7.868 -5.352 -13.331) 16.379 9.350 ( 4.344 2.335 9.951) 11.106 10.234 ( 6.512 1.254 -8.250) 10.585 10.408 ( 1.076 -4.029 1.998) 4.624 11.950 ( -12.220 0.077 -5.474) 13.391 12.409 ( 9.187 0.189 5.948) 10.946 12.566 ( -6.946 -1.992 -1.876) 7.465 12.722 ( -2.369 -4.968 2.823) 6.186 13.875 ( 0.809 4.739 -0.215) 4.813 14.023 ( -9.029 6.035 6.752) 12.788 14.693 ( 3.919 0.897 -7.159) 8.211 15.113 ( 1.956 -1.015 6.998) 7.336 17.023 ( 5.621 2.201 -7.158) 9.364 17.205 ( -1.342 -7.684 3.100) 8.394 17.358 ( 2.091 2.484 -3.289) 4.622 17.539 ( -1.418 0.518 2.695) 3.089 ======================= Grid point 30 (23/146) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -19.208 -4.352 -1.015) 19.721 2.414 ( -21.138 -2.331 -0.279) 21.268 2.811 ( 6.307 0.133 -0.295) 6.316 3.367 ( 16.063 1.289 -0.741) 16.132 3.769 ( 13.594 3.674 2.641) 14.327 4.221 ( 8.588 14.386 9.732) 19.376 4.673 ( -1.474 -14.587 -7.746) 16.582 4.940 ( -22.022 -8.857 -5.783) 24.430 5.539 ( 13.758 -1.066 -1.992) 13.942 6.063 ( -10.215 3.022 -3.812) 11.314 6.662 ( 2.001 1.951 3.331) 4.348 6.816 ( 5.668 1.747 5.264) 7.930 7.456 ( -4.109 0.510 -2.024) 4.608 7.873 ( -4.501 5.480 6.602) 9.689 8.337 ( -7.507 -5.897 -10.157) 13.939 9.443 ( -1.647 1.091 6.142) 6.452 10.242 ( -1.346 -0.906 -5.914) 6.133 10.440 ( 4.614 -0.607 1.748) 4.971 11.711 ( -12.459 -1.200 -3.027) 12.877 12.365 ( -13.888 -1.635 -1.249) 14.039 12.575 ( 9.808 -0.363 1.805) 9.979 12.693 ( 1.003 -1.740 1.066) 2.274 13.932 ( 1.613 2.650 0.061) 3.104 13.985 ( -5.830 4.380 3.935) 8.286 14.755 ( 6.246 0.094 -2.975) 6.919 15.211 ( 6.441 0.066 3.238) 7.210 17.063 ( -0.320 6.004 -8.413) 10.341 17.130 ( -0.515 -9.203 5.915) 10.952 17.406 ( 3.606 0.786 -1.167) 3.871 17.527 ( -2.524 0.688 1.557) 3.044 ======================= Grid point 31 (24/146) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -22.427 0.000 0.000) 22.427 2.018 ( -25.148 0.000 0.000) 25.148 2.980 ( 13.192 -0.000 -0.000) 13.192 3.564 ( -3.190 0.000 0.000) 3.190 4.019 ( -24.870 0.000 0.000) 24.870 4.030 ( 14.349 -0.000 -0.000) 14.349 4.654 ( 0.593 -0.000 -0.000) 0.593 4.832 ( 17.580 -0.000 -0.000) 17.580 5.759 ( 7.312 -0.000 -0.000) 7.312 5.910 ( -3.038 0.000 0.000) 3.038 6.662 ( -3.176 0.000 0.000) 3.176 6.927 ( 3.880 -0.000 -0.000) 3.880 7.410 ( -0.778 0.000 0.000) 0.778 7.878 ( -2.166 0.000 0.000) 2.166 8.144 ( -6.544 0.000 0.000) 6.544 9.382 ( -8.887 0.000 0.000) 8.887 10.117 ( -9.210 0.000 0.000) 9.210 10.561 ( 8.923 -0.000 -0.000) 8.923 11.500 ( -10.763 0.000 0.000) 10.763 12.070 ( -19.777 0.000 0.000) 19.777 12.697 ( -0.658 0.000 0.000) 0.658 12.805 ( 17.519 -0.000 -0.000) 17.519 13.949 ( -0.982 0.000 0.000) 0.982 13.985 ( 1.608 -0.000 -0.000) 1.608 14.831 ( 3.216 -0.000 -0.000) 3.216 15.364 ( 10.735 -0.000 -0.000) 10.735 17.015 ( -3.690 0.000 0.000) 3.690 17.111 ( -0.026 0.000 0.000) 0.026 17.474 ( 4.392 -0.000 -0.000) 4.392 17.481 ( -4.271 0.000 0.000) 4.271 ======================= Grid point 36 (25/146) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( -0.000 18.065 11.033) 21.167 2.104 ( -0.000 22.211 14.233) 26.380 3.151 ( -0.000 -10.221 1.254) 10.298 3.499 ( -0.000 11.468 5.678) 12.797 3.676 ( 0.000 15.898 -7.032) 17.384 4.300 ( -0.000 -18.611 -1.584) 18.678 4.609 ( -0.000 -0.799 1.248) 1.482 4.740 ( 0.000 -4.182 -14.940) 15.514 5.389 ( 0.000 -21.005 -15.071) 25.853 5.655 ( -0.000 -6.157 11.189) 12.772 6.852 ( 0.000 1.930 -4.397) 4.802 7.099 ( -0.000 11.025 4.146) 11.779 8.074 ( -0.000 1.061 10.162) 10.217 8.203 ( -0.000 9.150 18.208) 20.378 8.253 ( -0.000 -4.094 12.875) 13.510 9.535 ( 0.000 -5.826 -4.278) 7.228 9.541 ( -0.000 10.720 2.538) 11.017 10.511 ( 0.000 -11.649 -6.811) 13.494 11.229 ( 0.000 3.890 -2.779) 4.781 12.130 ( -0.000 21.258 10.121) 23.544 12.921 ( -0.000 -24.533 3.483) 24.780 13.059 ( -0.000 10.362 3.393) 10.903 13.899 ( 0.000 9.356 -8.531) 12.661 14.486 ( -0.000 0.587 19.550) 19.559 15.016 ( -0.000 0.918 8.600) 8.649 15.409 ( 0.000 -8.612 -6.612) 10.857 16.260 ( 0.000 -5.529 -13.151) 14.266 17.192 ( 0.000 5.439 -5.339) 7.622 17.483 ( -0.000 -5.729 0.395) 5.743 17.493 ( -0.000 2.043 0.645) 2.142 ======================= Grid point 37 (26/146) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 3.792 14.483 8.959) 17.447 2.368 ( -1.900 19.790 11.777) 23.108 3.051 ( -3.446 -6.360 3.917) 8.226 3.408 ( -0.272 -10.229 -6.601) 12.177 4.022 ( 4.946 24.293 -3.147) 24.990 4.052 ( -6.398 -15.997 -3.647) 17.611 4.543 ( -5.138 -6.302 -11.115) 13.772 4.736 ( 10.174 5.336 8.671) 14.393 5.058 ( -1.631 -21.224 -16.292) 26.806 5.777 ( 12.483 -6.595 8.816) 16.645 6.823 ( -3.021 2.535 -3.154) 5.050 7.169 ( -5.888 8.694 2.848) 10.880 8.095 ( -5.936 2.239 10.052) 11.887 8.163 ( -10.294 1.308 13.030) 16.657 8.553 ( 10.497 5.570 16.349) 20.212 9.280 ( -11.387 0.549 -5.653) 12.725 9.867 ( 18.282 0.980 -1.274) 18.353 10.313 ( -4.269 -10.327 -8.845) 14.252 11.343 ( 10.926 3.313 -1.633) 11.534 12.396 ( 0.247 18.959 8.769) 20.890 12.713 ( -1.072 -20.932 4.301) 21.396 13.104 ( -7.735 9.868 3.075) 12.909 13.917 ( -2.309 7.792 -5.428) 9.773 14.543 ( -7.169 0.181 18.399) 19.747 15.064 ( -2.014 -3.329 7.243) 8.222 15.211 ( -7.577 -4.801 -6.407) 11.023 16.276 ( 15.064 -3.613 -12.147) 19.685 17.214 ( 1.350 4.717 -6.752) 8.346 17.404 ( -2.592 -4.917 1.807) 5.844 17.527 ( 1.394 0.153 0.319) 1.439 ======================= Grid point 38 (27/146) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 4.759 10.086 7.189) 13.269 2.581 ( 0.279 16.042 7.486) 17.705 2.985 ( -4.093 -2.520 6.372) 7.982 3.298 ( 1.006 -5.361 -2.247) 5.900 3.756 ( -10.041 -12.245 -3.521) 16.223 3.981 ( -15.609 -0.207 -10.344) 18.726 4.487 ( 10.250 -3.196 -5.625) 12.121 4.732 ( 4.251 -23.264 -17.207) 29.247 5.203 ( 18.708 18.326 10.682) 28.283 6.000 ( 14.792 -5.088 6.057) 16.774 6.758 ( -5.746 1.508 -1.680) 6.173 7.097 ( -13.532 6.540 1.830) 15.140 8.022 ( -9.955 0.963 4.001) 10.773 8.115 ( -8.780 2.581 15.819) 18.275 8.858 ( 7.914 6.378 12.437) 16.063 9.086 ( -7.085 -1.257 -6.697) 9.830 10.102 ( 0.155 -7.159 -6.592) 9.733 10.126 ( 11.867 -2.102 -6.009) 13.467 11.612 ( 17.557 3.044 0.772) 17.836 12.485 ( -5.838 -2.711 0.947) 6.506 12.624 ( -0.102 0.255 7.585) 7.590 13.065 ( -9.388 7.509 4.637) 12.885 13.911 ( -3.226 6.543 -3.025) 7.898 14.506 ( -10.810 0.780 16.444) 19.694 14.861 ( -9.642 -4.220 -9.974) 14.500 15.150 ( -1.302 -2.619 6.553) 7.176 16.466 ( 17.467 -1.557 -8.948) 19.687 17.234 ( 2.086 2.445 -8.124) 8.737 17.342 ( -1.856 -3.421 3.889) 5.502 17.546 ( 0.695 -0.351 0.556) 0.957 ======================= Grid point 39 (28/146) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 3.843 5.241 4.420) 7.860 2.781 ( 3.505 10.161 3.931) 11.445 2.896 ( -7.252 -2.015 3.907) 8.480 3.317 ( -6.247 -1.394 5.357) 8.346 3.492 ( -1.961 -1.401 -2.409) 3.407 3.635 ( -11.834 -4.896 -7.134) 14.660 4.514 ( 8.078 -21.680 -16.386) 28.351 4.638 ( 14.863 -3.518 -4.288) 15.864 5.749 ( 18.948 15.054 7.075) 25.214 6.226 ( 12.921 -1.801 2.722) 13.327 6.610 ( -13.770 -1.354 0.105) 13.837 6.897 ( -16.056 4.489 1.446) 16.734 7.869 ( -11.222 0.559 1.887) 11.393 8.096 ( -7.808 2.925 12.867) 15.332 8.861 ( -7.833 -1.266 -11.128) 13.667 9.140 ( 6.932 2.844 11.857) 14.026 10.013 ( 4.110 -2.104 -8.798) 9.936 10.266 ( 8.813 -4.155 -1.808) 9.910 11.959 ( 18.602 3.180 2.492) 19.035 12.332 ( -7.931 -3.710 -0.609) 8.777 12.645 ( -3.545 3.178 3.064) 5.662 12.971 ( -10.380 -1.179 4.517) 11.381 13.904 ( -2.572 5.030 -1.249) 5.786 14.406 ( -13.455 2.054 12.139) 18.238 14.674 ( -2.729 1.038 -10.824) 11.211 15.131 ( -1.928 -3.642 6.236) 7.474 16.682 ( 14.708 0.045 -5.677) 15.765 17.218 ( 0.882 -2.465 -4.151) 4.907 17.332 ( -0.242 0.810 0.975) 1.291 17.554 ( 0.291 -0.495 1.062) 1.207 ======================= Grid point 40 (29/146) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( -7.817 -2.623 -0.334) 8.252 2.775 ( -5.072 1.482 3.503) 6.340 2.959 ( 4.708 3.216 0.047) 5.702 3.053 ( -14.981 -1.754 -0.189) 15.084 3.463 ( 1.335 -0.938 -0.893) 1.860 3.757 ( 14.954 10.376 7.266) 19.598 4.376 ( 9.199 -18.059 -12.974) 24.064 4.852 ( 16.804 -2.372 -2.198) 17.113 6.123 ( 6.890 4.962 1.437) 8.612 6.234 ( -26.390 -0.557 -1.213) 26.424 6.436 ( 10.212 3.516 1.562) 10.913 6.748 ( -5.734 -0.397 3.154) 6.557 7.699 ( -10.284 0.309 0.141) 10.290 8.070 ( -6.931 2.861 8.349) 11.222 8.628 ( -9.576 -2.891 -8.756) 13.293 9.327 ( 6.188 1.500 5.979) 8.734 10.078 ( 8.467 0.749 -4.840) 9.782 10.330 ( 4.611 -3.055 -0.162) 5.533 12.140 ( -11.340 -0.229 -1.379) 11.426 12.282 ( 13.246 2.396 2.831) 13.756 12.631 ( -2.982 3.486 -0.356) 4.601 12.763 ( -10.008 -7.966 1.936) 12.937 13.910 ( -0.785 2.855 -0.230) 2.970 14.279 ( -11.448 3.111 5.585) 13.112 14.624 ( 0.759 0.987 -5.366) 5.509 15.116 ( -0.034 -1.888 3.642) 4.103 16.872 ( 10.853 1.074 -2.978) 11.305 17.176 ( -0.677 -3.368 -0.551) 3.480 17.344 ( 0.427 1.217 -0.898) 1.572 17.561 ( 0.080 -0.145 1.009) 1.023 ======================= Grid point 41 (30/146) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( -16.193 0.000 0.000) 16.193 2.693 ( -10.310 0.000 0.000) 10.310 2.797 ( -8.592 0.000 0.000) 8.592 3.132 ( 12.430 -0.000 -0.000) 12.430 3.586 ( 11.136 -0.000 -0.000) 11.136 4.178 ( 20.354 -0.000 -0.000) 20.354 4.330 ( 5.972 -0.000 -0.000) 5.972 5.096 ( 12.229 -0.000 -0.000) 12.229 5.664 ( -33.022 0.000 0.000) 33.022 6.196 ( -4.175 0.000 0.000) 4.175 6.619 ( 6.721 -0.000 -0.000) 6.721 6.743 ( 4.170 -0.000 -0.000) 4.170 7.550 ( -7.668 0.000 0.000) 7.668 8.011 ( -5.678 0.000 0.000) 5.678 8.417 ( -9.690 0.000 0.000) 9.690 9.441 ( 4.170 -0.000 -0.000) 4.170 10.192 ( 5.319 -0.000 -0.000) 5.319 10.377 ( 3.284 -0.000 -0.000) 3.284 11.921 ( -13.907 0.000 0.000) 13.907 12.464 ( 6.245 -0.000 -0.000) 6.245 12.535 ( -9.308 0.000 0.000) 9.308 12.660 ( 1.226 -0.000 -0.000) 1.226 13.924 ( 0.786 -0.000 -0.000) 0.786 14.145 ( -9.078 0.000 0.000) 9.078 14.652 ( 4.333 -0.000 -0.000) 4.333 15.144 ( 2.996 -0.000 -0.000) 2.996 17.016 ( 6.770 -0.000 -0.000) 6.770 17.129 ( -2.515 0.000 0.000) 2.515 17.363 ( 1.691 -0.000 -0.000) 1.691 17.560 ( -0.755 0.000 0.000) 0.755 ======================= Grid point 48 (31/146) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -0.000 11.206 5.695) 12.570 2.649 ( -0.000 17.444 11.910) 21.122 3.061 ( -0.000 -3.470 6.189) 7.096 3.285 ( 0.000 -7.322 -5.611) 9.225 3.919 ( 0.000 -15.789 -4.963) 16.551 4.142 ( 0.000 14.180 -7.165) 15.888 4.420 ( 0.000 -10.378 -14.835) 18.105 4.804 ( -0.000 14.486 12.058) 18.848 4.822 ( 0.000 -17.262 -13.274) 21.775 5.630 ( -0.000 -9.477 8.907) 13.005 6.853 ( 0.000 2.373 -2.491) 3.441 7.308 ( -0.000 6.775 2.120) 7.099 8.207 ( -0.000 1.728 5.054) 5.342 8.351 ( -0.000 -1.161 11.378) 11.437 8.648 ( -0.000 10.876 20.527) 23.231 9.344 ( 0.000 -5.989 -7.136) 9.316 9.709 ( 0.000 6.441 -1.342) 6.579 10.189 ( 0.000 -11.359 -9.158) 14.591 11.261 ( 0.000 3.234 -3.045) 4.442 12.559 ( -0.000 -17.429 3.592) 17.795 12.639 ( -0.000 18.378 9.112) 20.512 13.264 ( -0.000 6.737 2.488) 7.181 13.975 ( 0.000 6.384 -3.905) 7.484 14.678 ( -0.000 -5.199 13.933) 14.871 15.121 ( -0.000 -1.543 9.129) 9.259 15.238 ( 0.000 -0.421 -3.411) 3.437 16.017 ( 0.000 -2.564 -12.690) 12.946 17.194 ( 0.000 2.809 -7.419) 7.933 17.390 ( -0.000 -4.923 2.197) 5.391 17.517 ( 0.000 0.481 -0.209) 0.525 ======================= Grid point 49 (32/146) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 3.376 6.663 3.041) 8.065 2.833 ( -3.811 14.744 9.074) 17.727 3.067 ( -2.656 -0.896 7.363) 7.879 3.219 ( 2.068 -2.795 -1.699) 3.869 3.721 ( -3.905 -11.425 -4.819) 13.000 4.143 ( -6.590 0.124 -9.921) 11.911 4.274 ( 6.372 -5.173 -8.738) 11.989 4.467 ( -10.629 -16.923 -10.149) 22.413 5.172 ( 13.703 18.383 8.463) 24.440 5.715 ( 13.900 -9.593 5.627) 17.802 6.836 ( -2.985 1.728 -1.478) 3.752 7.323 ( -6.215 4.535 1.336) 7.809 8.190 ( -6.221 0.670 2.852) 6.876 8.353 ( -6.469 1.317 10.775) 12.636 8.915 ( 4.456 8.708 16.315) 19.022 9.158 ( -8.455 -3.329 -6.402) 11.115 9.872 ( 12.219 2.044 -3.142) 12.781 10.006 ( -1.962 -9.404 -9.146) 13.264 11.377 ( 12.263 2.343 -1.620) 12.590 12.433 ( -0.690 -11.842 2.740) 12.174 12.821 ( -3.530 13.809 6.303) 15.585 13.275 ( -6.238 3.527 2.648) 7.639 13.992 ( -1.831 4.739 -2.299) 5.576 14.664 ( -2.125 -5.855 7.720) 9.919 15.040 ( -15.658 0.947 1.647) 15.773 15.184 ( -1.683 -0.939 2.898) 3.481 16.106 ( 17.535 -0.705 -7.825) 19.215 17.175 ( 1.007 0.575 -6.426) 6.529 17.358 ( -0.890 -2.406 2.331) 3.466 17.527 ( 0.961 -0.183 -0.215) 1.002 ======================= Grid point 50 (33/146) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 4.787 2.393 1.221) 5.490 2.927 ( -4.217 9.896 4.353) 11.604 3.014 ( -5.846 -1.778 3.850) 7.223 3.323 ( 8.119 3.654 4.490) 9.972 3.524 ( -6.793 -5.874 -3.348) 9.584 3.852 ( -21.055 -1.604 -3.312) 21.375 4.142 ( 3.456 -14.745 -12.919) 19.907 4.378 ( 10.774 -2.118 -1.939) 11.150 5.629 ( 16.337 13.341 4.334) 21.533 5.929 ( 18.481 -7.333 2.161) 20.000 6.764 ( -6.620 0.535 -0.479) 6.659 7.198 ( -13.670 2.309 0.612) 13.877 8.066 ( -10.389 0.270 1.331) 10.478 8.309 ( -7.324 1.450 7.322) 10.457 8.942 ( -9.435 -0.772 -5.669) 11.034 9.141 ( 4.427 3.393 9.360) 10.896 9.881 ( 2.215 -3.814 -7.094) 8.354 10.061 ( 11.218 -0.993 -1.321) 11.339 11.663 ( 19.693 1.581 0.008) 19.757 12.344 ( -1.683 -5.772 1.241) 6.139 12.852 ( -8.315 8.226 2.434) 11.947 13.159 ( -10.974 -1.524 2.084) 11.274 13.979 ( -2.669 2.717 -0.950) 3.925 14.624 ( -1.886 -3.454 5.438) 6.712 14.772 ( -16.868 3.479 -2.994) 17.482 15.161 ( -1.730 -1.977 2.477) 3.611 16.381 ( 18.473 0.228 -3.099) 18.733 17.160 ( 1.117 -0.845 -3.226) 3.517 17.348 ( -0.363 -0.200 1.073) 1.150 17.540 ( 1.004 -0.380 0.057) 1.075 ======================= Grid point 51 (34/146) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( 1.696 -0.000 -0.000) 1.696 2.913 ( -7.175 0.000 0.000) 7.175 2.936 ( -0.917 0.000 0.000) 0.917 3.313 ( -14.718 0.000 0.000) 14.718 3.502 ( -6.288 0.000 0.000) 6.288 3.596 ( 9.661 -0.000 -0.000) 9.661 4.109 ( 6.406 -0.000 -0.000) 6.406 4.572 ( 14.598 -0.000 -0.000) 14.598 5.960 ( 14.321 -0.000 -0.000) 14.321 6.208 ( 17.624 -0.000 -0.000) 17.624 6.598 ( -15.109 0.000 0.000) 15.109 6.948 ( -16.166 0.000 0.000) 16.166 7.886 ( -11.661 0.000 0.000) 11.661 8.225 ( -6.951 0.000 0.000) 6.951 8.753 ( -10.258 0.000 0.000) 10.258 9.260 ( 5.119 -0.000 -0.000) 5.119 9.927 ( 7.375 -0.000 -0.000) 7.375 10.209 ( 8.083 -0.000 -0.000) 8.083 12.013 ( 20.273 -0.000 -0.000) 20.273 12.270 ( -5.091 0.000 0.000) 5.091 12.758 ( -8.132 0.000 0.000) 8.132 12.934 ( -14.108 0.000 0.000) 14.108 13.948 ( -2.215 0.000 0.000) 2.215 14.521 ( -14.090 0.000 0.000) 14.090 14.612 ( -0.514 0.000 0.000) 0.514 15.129 ( -1.499 0.000 0.000) 1.499 16.652 ( 15.132 -0.000 -0.000) 15.132 17.159 ( 0.509 -0.000 -0.000) 0.509 17.347 ( -0.153 0.000 0.000) 0.153 17.554 ( 0.809 -0.000 -0.000) 0.809 ======================= Grid point 60 (35/146) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( -0.000 3.085 0.993) 3.241 3.039 ( -0.000 10.925 5.700) 12.323 3.139 ( -0.000 -0.370 6.776) 6.786 3.164 ( 0.000 -1.567 -1.142) 1.939 3.637 ( 0.000 -6.727 -3.012) 7.371 4.023 ( 0.000 -9.853 -10.308) 14.260 4.181 ( 0.000 1.613 -3.493) 3.847 4.481 ( 0.000 -5.896 -5.237) 7.886 5.239 ( -0.000 15.795 4.353) 16.384 5.516 ( -0.000 -11.233 4.044) 11.939 6.868 ( 0.000 1.042 -0.762) 1.291 7.411 ( -0.000 2.248 0.674) 2.347 8.260 ( -0.000 0.207 1.339) 1.355 8.464 ( -0.000 0.670 5.188) 5.231 9.060 ( -0.000 6.962 13.236) 14.956 9.175 ( 0.000 -3.031 -3.951) 4.980 9.771 ( 0.000 4.404 -4.139) 6.044 9.881 ( 0.000 -9.229 -5.514) 10.751 11.276 ( 0.000 1.294 -1.388) 1.897 12.364 ( -0.000 -6.252 1.598) 6.453 12.999 ( -0.000 9.009 3.839) 9.793 13.360 ( -0.000 0.874 1.304) 1.569 14.030 ( 0.000 2.388 -1.083) 2.622 14.649 ( -0.000 -4.504 1.935) 4.902 15.182 ( -0.000 -1.195 4.520) 4.675 15.284 ( -0.000 2.392 1.853) 3.026 15.866 ( 0.000 -0.491 -5.874) 5.894 17.137 ( 0.000 -0.086 -3.615) 3.616 17.356 ( -0.000 -1.290 1.101) 1.696 17.517 ( 0.000 -0.027 -0.208) 0.209 ======================= Grid point 61 (36/146) ======================= q-point: (-0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( 3.079 -0.000 -0.000) 3.079 3.086 ( -4.936 0.000 0.000) 4.936 3.090 ( -3.769 0.000 0.000) 3.769 3.228 ( 6.206 -0.000 -0.000) 6.206 3.567 ( -3.422 0.000 0.000) 3.422 3.956 ( 2.408 -0.000 -0.000) 2.408 4.224 ( 5.738 -0.000 -0.000) 5.738 4.226 ( -21.370 0.000 0.000) 21.370 5.521 ( 9.064 -0.000 -0.000) 9.064 5.550 ( 18.939 -0.000 -0.000) 18.939 6.845 ( -3.128 0.000 0.000) 3.128 7.374 ( -6.195 0.000 0.000) 6.195 8.213 ( -6.190 0.000 0.000) 6.190 8.442 ( -4.883 0.000 0.000) 4.883 9.070 ( -8.000 0.000 0.000) 8.000 9.152 ( 1.387 -0.000 -0.000) 1.387 9.808 ( 0.472 -0.000 -0.000) 0.472 9.877 ( 9.567 -0.000 -0.000) 9.567 11.390 ( 12.915 -0.000 -0.000) 12.915 12.336 ( -0.512 0.000 0.000) 0.512 13.016 ( -4.845 0.000 0.000) 4.845 13.310 ( -6.746 0.000 0.000) 6.746 14.025 ( -1.582 0.000 0.000) 1.582 14.629 ( -0.335 0.000 0.000) 0.335 15.094 ( -18.918 0.000 0.000) 18.918 15.182 ( -1.027 0.000 0.000) 1.027 16.054 ( 19.088 -0.000 -0.000) 19.088 17.130 ( 0.681 -0.000 -0.000) 0.681 17.353 ( -0.115 0.000 0.000) 0.115 17.523 ( 0.775 -0.000 -0.000) 0.775 ======================= Grid point 135 (37/146) ======================= q-point: ( 0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( -0.000 -0.000 29.029) 29.029 0.546 ( -0.000 -0.000 29.029) 29.029 1.014 ( -0.000 -0.000 52.961) 52.961 3.651 ( 0.000 0.000 -3.397) 3.397 4.647 ( 0.000 0.000 -3.916) 3.916 4.729 ( 0.000 0.000 -15.516) 15.516 4.729 ( 0.000 0.000 -15.516) 15.516 5.233 ( -0.000 0.000 10.912) 10.912 5.233 ( -0.000 -0.000 10.912) 10.912 6.414 ( -0.000 0.000 -0.387) 0.387 6.414 ( 0.000 -0.000 -0.387) 0.387 6.916 ( 0.000 0.000 -5.407) 5.407 7.904 ( -0.000 0.000 2.102) 2.102 7.904 ( -0.000 -0.000 2.102) 2.102 8.700 ( -0.000 -0.000 5.750) 5.750 8.700 ( -0.000 -0.000 5.750) 5.750 10.888 ( 0.000 0.000 -0.264) 0.264 11.050 ( 0.000 0.000 -0.443) 0.443 11.143 ( -0.000 0.000 1.157) 1.157 11.143 ( -0.000 -0.000 1.157) 1.157 12.515 ( 0.000 0.000 -0.825) 0.825 12.515 ( 0.000 0.000 -0.825) 0.825 14.113 ( -0.000 -0.000 7.344) 7.344 14.113 ( -0.000 -0.000 7.344) 7.344 14.597 ( -0.000 -0.000 3.886) 3.886 15.902 ( 0.000 0.000 -2.754) 2.754 17.000 ( 0.000 0.000 -4.779) 4.779 17.000 ( 0.000 0.000 -4.779) 4.779 17.246 ( -0.000 -0.000 3.530) 3.530 17.651 ( 0.000 0.000 -0.307) 0.307 ======================= Grid point 136 (38/146) ======================= q-point: ( 0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 16.046 9.264 20.239) 27.439 0.954 ( 13.617 7.862 24.589) 29.186 1.766 ( 34.806 20.095 36.913) 54.570 3.551 ( -6.860 -3.961 -3.991) 8.870 4.383 ( -11.182 -6.456 -15.805) 20.409 4.530 ( -5.451 -3.147 -5.749) 8.525 4.885 ( 10.383 5.995 -14.430) 18.761 4.989 ( -15.322 -8.846 7.755) 19.318 5.554 ( 10.337 5.968 12.636) 17.381 6.283 ( -4.883 -2.819 -6.370) 8.507 6.483 ( -0.499 -0.288 2.998) 3.053 6.891 ( 1.276 0.737 -6.074) 6.250 7.801 ( -7.525 -4.344 7.857) 11.714 7.955 ( -1.214 -0.701 6.041) 6.202 8.654 ( 1.265 0.730 -0.205) 1.475 8.715 ( -7.744 -4.471 23.817) 25.441 10.207 ( -17.034 -9.834 24.041) 31.062 10.931 ( -7.580 -4.376 -4.062) 9.649 11.265 ( 9.435 5.447 3.296) 11.382 11.275 ( 6.388 3.688 5.849) 9.414 12.437 ( -1.866 -1.078 -5.241) 5.667 13.328 ( 30.294 17.490 -26.035) 43.606 13.970 ( -15.133 -8.737 9.263) 19.778 14.102 ( -3.316 -1.914 7.612) 8.520 14.765 ( 8.300 4.792 7.045) 11.894 15.811 ( -6.351 -3.667 -4.292) 8.497 16.952 ( 1.442 0.832 -6.718) 6.921 16.963 ( 1.528 0.882 -7.466) 7.672 17.267 ( -1.062 -0.613 7.560) 7.659 17.634 ( -1.267 -0.731 -0.199) 1.476 ======================= Grid point 137 (39/146) ======================= q-point: ( 0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 19.316 11.152 12.867) 25.749 1.413 ( 15.593 9.003 18.916) 26.115 2.791 ( 38.938 22.481 23.975) 50.954 3.320 ( -11.216 -6.476 -3.374) 13.384 4.060 ( -9.461 -5.462 -14.708) 18.321 4.348 ( -8.801 -5.081 -3.228) 10.663 4.668 ( -16.407 -9.473 3.142) 19.204 5.009 ( 9.184 5.302 -13.583) 17.232 5.845 ( 8.350 4.821 14.609) 17.504 6.133 ( -2.936 -1.695 -12.762) 13.204 6.420 ( -6.175 -3.565 2.684) 7.618 6.883 ( 0.059 0.034 -4.361) 4.361 7.729 ( -5.278 -3.047 14.723) 15.935 7.922 ( -5.753 -3.322 8.999) 11.185 8.735 ( -3.717 -2.146 22.365) 22.773 8.737 ( 7.261 4.192 -5.949) 10.280 10.259 ( 5.680 3.280 11.467) 13.211 10.699 ( -9.838 -5.680 -7.331) 13.520 11.496 ( 9.099 5.253 9.702) 14.301 11.570 ( 15.391 8.886 5.200) 18.517 12.363 ( -0.874 -0.505 -9.349) 9.404 13.513 ( -4.205 -2.428 -2.977) 5.696 13.723 ( -5.969 -3.446 0.615) 6.920 14.065 ( -4.381 -2.529 7.887) 9.370 14.968 ( 4.882 2.818 9.716) 11.232 15.574 ( -11.513 -6.647 -7.511) 15.269 16.972 ( 3.756 2.169 -8.967) 9.961 16.986 ( 5.718 3.302 -9.835) 11.846 17.302 ( -0.335 -0.193 8.468) 8.477 17.598 ( -1.917 -1.107 0.366) 2.244 ======================= Grid point 138 (40/146) ======================= q-point: ( 0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 16.031 9.256 14.074) 23.254 1.882 ( 18.582 10.728 8.141) 22.949 3.068 ( -9.482 -5.474 -0.508) 10.961 3.646 ( 22.189 12.811 8.862) 27.111 3.777 ( -8.558 -4.941 -12.905) 16.254 4.082 ( -14.369 -8.296 -0.006) 16.592 4.407 ( -2.952 -1.704 4.514) 5.656 5.144 ( 10.624 6.134 -10.161) 15.929 6.006 ( 0.437 0.252 -18.787) 18.794 6.064 ( 1.336 0.771 10.856) 10.965 6.307 ( -3.840 -2.217 7.860) 9.024 6.798 ( -6.114 -3.530 -3.390) 7.831 7.734 ( -3.947 -2.279 16.981) 17.582 7.830 ( -7.354 -4.246 8.728) 12.177 8.824 ( 0.362 0.209 17.846) 17.851 8.861 ( 7.579 4.376 -9.570) 12.969 10.435 ( -8.655 -4.997 -9.453) 13.757 10.465 ( 6.820 3.938 5.050) 9.355 11.784 ( 10.427 6.020 12.537) 17.382 11.970 ( 16.804 9.702 5.180) 20.084 12.280 ( -0.384 -0.222 -11.880) 11.888 13.270 ( -15.332 -8.852 10.343) 20.504 13.684 ( 0.329 0.190 -3.122) 3.145 14.013 ( -4.756 -2.746 8.236) 9.900 15.091 ( 0.394 0.227 11.142) 11.152 15.233 ( -13.366 -7.717 -11.669) 19.349 17.008 ( 4.706 2.717 -9.776) 11.185 17.062 ( 6.621 3.823 -9.925) 12.528 17.350 ( -0.050 -0.029 7.470) 7.471 17.559 ( -2.117 -1.223 1.323) 2.780 ======================= Grid point 139 (41/146) ======================= q-point: ( 0.45 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 14.953 8.633 10.355) 20.133 2.313 ( 17.084 9.863 4.931) 20.334 2.917 ( -5.579 -3.221 2.782) 7.016 3.539 ( -5.581 -3.222 -9.686) 11.634 3.556 ( -20.362 -11.756 0.732) 23.523 3.825 ( -9.349 -5.398 -5.089) 11.935 4.777 ( 23.079 13.324 2.210) 26.740 5.399 ( 16.762 9.678 1.246) 19.396 5.912 ( 2.608 1.505 -23.065) 23.261 5.975 ( -9.143 -5.279 2.359) 10.818 6.372 ( -4.107 -2.371 8.066) 9.357 6.603 ( -7.399 -4.272 6.293) 10.611 7.716 ( -7.313 -4.222 6.521) 10.670 7.746 ( -4.484 -2.589 15.690) 16.522 8.917 ( 2.957 1.707 -12.094) 12.567 8.975 ( 3.874 2.237 15.155) 15.801 10.240 ( -2.490 -1.438 -10.586) 10.970 10.580 ( 1.261 0.728 1.872) 2.372 12.098 ( 10.225 5.903 14.101) 18.391 12.138 ( -0.317 -0.183 -15.747) 15.752 12.380 ( 11.660 6.732 6.368) 14.894 13.028 ( -12.725 -7.347 11.116) 18.425 13.686 ( 0.885 0.511 0.412) 1.102 13.959 ( -5.015 -2.895 8.178) 10.021 14.885 ( -9.474 -5.470 -14.659) 18.292 15.129 ( -3.218 -1.858 11.832) 12.402 17.046 ( 4.313 2.490 -10.666) 11.772 17.148 ( 6.392 3.690 -8.446) 11.216 17.385 ( -0.718 -0.414 6.001) 6.058 17.524 ( -2.012 -1.162 2.479) 3.398 ======================= Grid point 140 (42/146) ======================= q-point: ( 0.55 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( 10.184 5.880 6.383) 13.380 2.711 ( 16.985 9.806 3.148) 19.863 2.770 ( -10.263 -5.925 0.520) 11.862 3.097 ( -20.297 -11.718 0.889) 23.453 3.490 ( 5.512 3.183 -1.782) 6.610 3.606 ( -6.429 -3.712 -2.853) 7.953 5.177 ( 17.014 9.823 -11.555) 22.792 5.768 ( -11.674 -6.740 3.382) 13.897 5.819 ( 4.094 2.364 -26.499) 26.917 5.894 ( 20.413 11.785 12.679) 26.765 6.020 ( -21.188 -12.233 -7.621) 25.626 6.680 ( 0.049 0.028 21.612) 21.612 7.596 ( -6.304 -3.639 3.474) 8.065 7.732 ( -4.729 -2.730 12.819) 13.934 8.826 ( -3.579 -2.066 -13.481) 14.101 9.171 ( 5.289 3.053 13.517) 14.833 10.205 ( 5.018 2.897 -11.571) 12.940 10.554 ( -3.767 -2.175 1.399) 4.569 11.997 ( -2.752 -1.589 -16.396) 16.701 12.388 ( 7.557 4.363 13.876) 16.392 12.600 ( 4.650 2.685 3.800) 6.578 12.837 ( -10.960 -6.328 9.642) 15.911 13.732 ( 2.363 1.364 2.533) 3.723 13.881 ( -6.064 -3.501 5.775) 9.076 14.694 ( 0.404 0.233 -12.309) 12.318 15.121 ( -3.472 -2.004 11.650) 12.321 17.056 ( 2.836 1.637 -11.879) 12.322 17.237 ( 5.975 3.450 -6.605) 9.551 17.390 ( -1.949 -1.125 4.905) 5.397 17.502 ( -1.786 -1.031 3.507) 4.068 ======================= Grid point 141 (43/146) ======================= q-point: (-0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( -16.434 -9.488 -1.572) 19.042 2.662 ( -16.498 -9.525 0.928) 19.073 2.803 ( 0.479 0.276 2.214) 2.282 3.120 ( 18.282 10.555 1.179) 21.143 3.595 ( 6.143 3.547 2.411) 7.492 3.720 ( 13.082 7.553 4.608) 15.793 5.301 ( -31.730 -18.319 -3.064) 36.767 5.445 ( 14.966 8.640 -13.296) 21.804 5.650 ( -8.258 -4.768 -1.798) 9.704 5.715 ( 2.331 1.346 -26.077) 26.216 6.397 ( 17.019 9.826 9.889) 22.000 6.783 ( -3.596 -2.076 22.434) 22.815 7.490 ( -4.447 -2.568 1.123) 5.257 7.709 ( -3.627 -2.094 9.986) 10.828 8.624 ( -6.376 -3.681 -13.418) 15.305 9.345 ( 2.357 1.361 12.233) 12.532 10.259 ( 5.453 3.148 -13.607) 14.993 10.479 ( -2.849 -1.645 2.003) 3.852 11.818 ( -4.950 -2.858 -13.849) 14.983 12.517 ( -5.949 -3.434 4.926) 8.453 12.658 ( 1.755 1.013 -2.168) 2.968 12.704 ( -4.319 -2.493 15.121) 15.922 13.801 ( -3.144 -1.815 4.484) 5.769 13.810 ( 2.633 1.520 3.949) 4.984 14.720 ( 5.899 3.406 -6.767) 9.602 15.155 ( 0.991 0.572 9.830) 9.897 17.021 ( 1.260 0.728 -13.282) 13.362 17.327 ( 5.201 3.003 -5.015) 7.825 17.364 ( -2.818 -1.627 4.504) 5.557 17.485 ( -2.049 -1.183 4.139) 4.768 ======================= Grid point 142 (44/146) ======================= q-point: (-0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -19.707 -11.378 -0.542) 22.762 2.251 ( -20.877 -12.053 1.802) 24.174 2.886 ( 6.791 3.921 0.817) 7.884 3.495 ( 14.745 8.513 -2.683) 17.236 3.840 ( 12.160 7.020 5.650) 15.135 4.051 ( 9.676 5.586 7.125) 13.251 4.526 ( -31.639 -18.267 -4.205) 36.775 5.502 ( -5.501 -3.176 1.074) 6.443 5.561 ( 0.958 0.553 -20.380) 20.410 5.718 ( 14.337 8.277 -16.354) 23.270 6.741 ( 9.962 5.751 5.156) 12.605 6.801 ( -7.089 -4.093 21.132) 22.662 7.425 ( -2.010 -1.160 1.811) 2.944 7.704 ( -1.756 -1.014 7.608) 7.873 8.403 ( -6.148 -3.549 -12.313) 14.213 9.393 ( -5.038 -2.909 11.322) 12.729 10.217 ( -1.452 -0.838 -16.363) 16.448 10.497 ( 3.758 2.170 1.959) 4.761 11.610 ( -6.958 -4.017 -10.118) 12.919 12.255 ( -16.285 -9.402 1.544) 18.867 12.731 ( 8.651 4.995 -5.924) 11.614 12.755 ( -2.806 -1.620 15.175) 15.517 13.816 ( 1.385 0.800 6.104) 6.310 13.893 ( 2.293 1.324 5.356) 5.975 14.811 ( 4.389 2.534 -3.154) 5.969 15.293 ( 6.682 3.858 6.215) 9.908 16.950 ( 0.430 0.248 -14.936) 14.944 17.308 ( -3.683 -2.126 3.137) 5.284 17.421 ( 4.751 2.743 -2.446) 6.006 17.458 ( -3.025 -1.747 4.635) 5.804 ======================= Grid point 143 (45/146) ======================= q-point: (-0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -22.087 -12.752 2.335) 25.611 1.772 ( -23.909 -13.804 2.941) 27.764 3.112 ( 12.342 7.125 1.222) 14.303 3.320 ( -38.122 -22.010 -2.989) 44.121 3.986 ( 9.324 5.383 -5.529) 12.104 4.161 ( 13.043 7.530 7.210) 16.697 4.490 ( 10.874 6.278 5.896) 13.872 5.419 ( -3.266 -1.886 3.404) 5.081 5.425 ( -1.397 -0.806 -19.161) 19.229 5.945 ( 13.741 7.933 -13.196) 20.637 6.743 ( -8.880 -5.127 17.350) 20.154 6.909 ( 3.969 2.292 1.087) 4.711 7.441 ( 1.245 0.719 7.405) 7.544 7.725 ( -0.093 -0.054 5.270) 5.271 8.205 ( -5.460 -3.152 -9.957) 11.785 9.279 ( -10.876 -6.279 10.625) 16.450 10.000 ( -7.911 -4.568 -16.799) 19.123 10.650 ( 8.483 4.898 0.871) 9.834 11.401 ( -6.871 -3.967 -6.860) 10.488 11.877 ( -18.282 -10.555 2.143) 21.219 12.749 ( -5.254 -3.033 11.921) 13.376 12.980 ( 16.725 9.656 -5.161) 19.990 13.921 ( 4.108 2.372 6.253) 7.849 13.976 ( 1.830 1.057 6.333) 6.676 14.851 ( 0.108 0.062 -0.862) 0.871 15.501 ( 9.304 5.372 2.324) 10.992 16.861 ( 0.607 0.351 -16.503) 16.518 17.239 ( -4.136 -2.388 2.507) 5.394 17.409 ( -4.168 -2.406 5.278) 7.142 17.508 ( 4.150 2.396 -1.265) 4.956 ======================= Grid point 144 (46/146) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -23.299 -13.452 8.224) 28.132 1.249 ( -25.988 -15.004 6.526) 30.710 2.314 ( -49.247 -28.433 3.189) 56.955 3.393 ( 11.772 6.796 0.036) 13.593 4.233 ( 14.365 8.294 -9.286) 19.010 4.502 ( 13.525 7.809 8.710) 17.882 4.693 ( 5.001 2.888 0.626) 5.809 5.261 ( -3.645 -2.105 -16.342) 16.875 5.397 ( -2.527 -1.459 7.960) 8.478 6.142 ( 10.888 6.286 -10.783) 16.563 6.639 ( -8.459 -4.884 11.614) 15.175 6.954 ( 0.815 0.471 -1.458) 1.736 7.590 ( 5.523 3.189 18.610) 19.673 7.764 ( 1.372 0.792 2.811) 3.226 8.044 ( -4.805 -2.774 -4.024) 6.854 9.076 ( -12.814 -7.398 9.907) 17.807 9.725 ( -7.525 -4.344 -10.149) 13.360 10.843 ( 8.378 4.837 -0.815) 9.708 11.236 ( -4.878 -2.816 -3.807) 6.799 11.516 ( -15.537 -8.970 3.539) 18.286 12.686 ( -5.852 -3.379 7.950) 10.433 13.367 ( 19.668 11.355 -2.088) 22.807 14.033 ( 2.929 1.691 -1.492) 3.697 14.047 ( 0.837 0.483 6.803) 6.871 14.803 ( -4.398 -2.539 1.013) 5.179 15.708 ( 8.531 4.925 -0.511) 9.864 16.786 ( 2.302 1.329 -15.774) 15.996 17.159 ( -4.100 -2.367 0.907) 4.820 17.344 ( -4.830 -2.789 5.954) 8.158 17.583 ( 3.123 1.803 -0.444) 3.633 ======================= Grid point 147 (47/146) ======================= q-point: ( 0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -0.000 18.025 21.382) 27.966 1.143 ( -0.000 19.078 24.249) 30.854 1.958 ( -0.000 29.414 39.894) 49.565 3.533 ( 0.000 -6.489 -4.423) 7.853 4.223 ( 0.000 -16.189 -15.319) 22.288 4.620 ( 0.000 1.321 -6.181) 6.321 4.705 ( 0.000 6.228 -17.398) 18.479 5.066 ( -0.000 -15.968 8.178) 17.940 5.590 ( -0.000 7.699 12.020) 14.274 6.170 ( 0.000 -14.810 -6.588) 16.209 6.604 ( -0.000 11.480 3.050) 11.878 6.835 ( 0.000 0.823 -8.410) 8.450 7.913 ( -0.000 0.268 8.322) 8.327 7.990 ( -0.000 1.321 5.415) 5.574 8.521 ( -0.000 -14.728 11.852) 18.905 9.016 ( -0.000 13.626 7.135) 15.381 10.173 ( -0.000 -39.797 20.701) 44.859 10.937 ( 0.000 -7.853 -3.018) 8.413 11.157 ( -0.000 -0.345 1.430) 1.471 11.358 ( -0.000 14.132 6.307) 15.475 12.641 ( 0.000 9.175 0.132) 9.176 13.126 ( 0.000 40.996 -27.262) 49.233 13.921 ( -0.000 -23.425 8.613) 24.958 14.301 ( -0.000 2.812 14.960) 15.222 14.789 ( -0.000 8.348 7.453) 11.191 15.790 ( 0.000 -6.532 -4.910) 8.172 16.728 ( 0.000 -14.638 -6.232) 15.909 17.000 ( 0.000 5.410 -6.122) 8.170 17.352 ( -0.000 4.291 3.662) 5.641 17.630 ( 0.000 -1.849 -0.268) 1.868 ======================= Grid point 148 (48/146) ======================= q-point: ( 0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 7.404 19.045 16.590) 26.320 1.491 ( 3.535 16.427 22.158) 27.809 2.692 ( 23.073 30.555 28.383) 47.661 3.377 ( -6.692 -8.129 -3.683) 11.155 3.959 ( -2.392 -13.405 -15.139) 20.362 4.452 ( -9.535 0.331 -7.780) 12.311 4.785 ( 10.522 1.705 -13.529) 17.224 4.842 ( -12.671 -13.617 5.410) 19.371 5.800 ( 8.314 0.347 11.673) 14.335 5.968 ( 0.790 -15.511 -8.886) 17.893 6.628 ( -9.447 9.455 -0.738) 13.386 6.849 ( 2.738 3.823 -4.541) 6.537 7.914 ( -6.763 1.706 14.063) 15.697 8.041 ( -2.739 0.452 8.268) 8.722 8.537 ( 7.265 -8.157 8.175) 13.643 9.063 ( -11.124 9.314 9.144) 17.149 10.103 ( 12.996 -17.199 10.878) 24.146 10.743 ( -8.460 -8.389 -6.178) 13.421 11.291 ( 13.215 -1.608 3.549) 13.777 11.610 ( 6.100 16.912 8.158) 19.743 12.566 ( -15.046 15.914 -4.408) 22.340 13.416 ( 8.786 14.126 -15.918) 23.024 13.718 ( -2.654 -21.128 7.880) 22.705 14.318 ( -11.391 4.994 15.472) 19.851 14.974 ( 5.602 4.292 10.465) 12.622 15.612 ( -7.759 -9.232 -7.154) 14.022 16.646 ( 10.688 -11.811 -9.280) 18.435 17.018 ( 0.113 7.473 -7.556) 10.628 17.391 ( -2.012 3.161 4.446) 5.814 17.603 ( -0.488 -2.403 0.076) 2.453 ======================= Grid point 149 (49/146) ======================= q-point: ( 0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 7.339 15.489 15.156) 22.880 1.862 ( 10.990 14.602 14.372) 23.250 3.153 ( -8.433 -6.833 -1.043) 10.904 3.502 ( 22.949 23.276 13.292) 35.286 3.712 ( -3.199 -10.314 -13.460) 17.256 4.227 ( -11.332 -6.251 -3.126) 13.314 4.530 ( -12.221 -6.826 2.386) 14.200 4.912 ( 12.840 1.448 -8.811) 15.640 5.716 ( 3.788 -19.897 -13.966) 24.603 6.063 ( 7.856 -0.253 11.425) 13.868 6.545 ( -9.600 10.582 -0.859) 14.313 6.856 ( -4.334 2.569 -2.290) 5.534 7.923 ( -6.165 0.976 17.573) 18.648 7.995 ( -8.371 -1.577 9.841) 13.016 8.677 ( 9.380 -0.771 2.892) 9.846 9.023 ( -7.212 4.563 8.321) 11.919 10.294 ( 15.598 -6.350 2.445) 17.017 10.464 ( -9.259 -7.805 -9.091) 15.142 11.567 ( 18.172 -2.740 6.806) 19.597 11.945 ( 8.198 16.081 5.950) 19.005 12.457 ( -13.223 18.252 -4.921) 23.069 13.351 ( -5.459 -19.024 6.804) 20.929 13.663 ( 2.037 2.986 -3.498) 5.030 14.258 ( -12.943 5.637 14.340) 20.123 15.138 ( 2.576 -0.189 11.823) 12.102 15.290 ( -12.173 -10.033 -10.819) 19.128 16.704 ( 14.164 -7.450 -11.114) 19.484 17.053 ( 1.086 8.589 -9.107) 12.565 17.411 ( -1.474 0.835 5.036) 5.314 17.575 ( -0.687 -1.881 0.845) 2.173 ======================= Grid point 150 (50/146) ======================= q-point: ( 0.45 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 10.364 10.186 11.849) 18.750 2.263 ( 11.774 13.867 9.133) 20.356 2.996 ( -5.537 -3.403 3.342) 7.308 3.493 ( -3.267 -7.459 -10.205) 13.055 3.761 ( -11.684 -3.279 -1.854) 12.276 3.904 ( -11.933 -8.327 -4.394) 15.200 4.582 ( 14.401 8.941 -0.298) 16.954 5.186 ( 19.034 7.464 3.665) 20.771 5.515 ( 7.611 -21.549 -16.213) 28.020 6.168 ( -2.750 3.505 0.887) 4.543 6.555 ( -4.883 9.594 7.435) 13.083 6.715 ( -10.042 -2.647 -0.167) 10.387 7.875 ( -9.761 -2.765 8.293) 13.104 7.936 ( -6.921 -0.166 18.097) 19.376 8.817 ( 4.673 3.837 -5.827) 8.397 9.040 ( 0.138 0.602 11.168) 11.185 10.209 ( -5.468 -4.900 -10.867) 13.115 10.469 ( 10.478 -4.431 -1.586) 11.487 11.898 ( 18.179 -2.832 8.727) 20.363 12.128 ( -1.820 8.685 -8.330) 12.171 12.510 ( -2.149 20.474 7.130) 21.786 13.119 ( -5.751 -19.531 10.749) 23.023 13.701 ( 0.248 3.622 -0.159) 3.634 14.183 ( -12.584 4.724 12.948) 18.663 14.903 ( -11.584 -8.370 -14.533) 20.383 15.220 ( -1.147 -2.481 11.776) 12.089 16.806 ( 12.643 -4.073 -10.839) 17.144 17.101 ( 2.191 8.237 -9.883) 13.051 17.419 ( -0.738 -1.926 4.778) 5.204 17.557 ( -1.023 -0.630 1.714) 2.093 ======================= Grid point 151 (51/146) ======================= q-point: ( 0.55 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 11.855 6.272 8.376) 15.813 2.620 ( 11.319 11.386 5.676) 17.029 2.883 ( -8.669 -5.049 2.806) 10.417 3.319 ( -16.848 -11.294 1.465) 20.336 3.440 ( -0.233 1.946 -3.922) 4.385 3.653 ( -7.782 -5.838 -5.744) 11.298 4.885 ( 17.356 5.560 -12.043) 21.844 5.336 ( 10.311 -21.892 -18.756) 30.616 5.708 ( 21.491 10.667 13.297) 27.431 6.100 ( -9.431 9.909 -6.460) 15.128 6.321 ( -25.152 -0.285 -2.090) 25.240 6.753 ( 4.458 -1.578 15.719) 16.415 7.730 ( -9.653 -3.223 6.463) 12.056 7.918 ( -7.848 -0.454 16.218) 18.022 8.787 ( -3.003 -0.168 -11.614) 11.997 9.187 ( 5.596 1.970 12.546) 13.878 10.087 ( 2.124 0.182 -11.594) 11.789 10.525 ( 3.532 -4.861 -2.499) 6.508 12.000 ( -6.925 6.142 -12.282) 15.379 12.252 ( 15.500 -2.678 9.522) 18.387 12.701 ( -2.445 10.436 7.174) 12.898 12.940 ( -4.484 -14.198 10.983) 18.502 13.748 ( 0.654 3.061 3.075) 4.388 14.078 ( -12.813 2.492 8.642) 15.655 14.635 ( -3.223 -1.044 -12.414) 12.868 15.220 ( -3.078 -4.008 10.725) 11.856 16.892 ( 8.437 -1.074 -10.614) 13.601 17.158 ( 3.681 6.410 -9.311) 11.889 17.409 ( -0.591 -3.841 4.457) 5.914 17.549 ( -1.356 0.316 2.181) 2.588 ======================= Grid point 152 (52/146) ======================= q-point: (-0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( -14.047 -8.955 0.164) 16.660 2.742 ( 2.488 -0.031 3.905) 4.631 2.910 ( -10.872 -5.621 2.322) 12.458 2.960 ( 8.040 6.516 2.094) 10.558 3.530 ( 3.065 -0.743 -0.467) 3.188 3.642 ( 11.142 10.491 4.052) 15.831 5.128 ( 16.419 1.903 -13.240) 21.178 5.187 ( 11.491 -21.583 -17.147) 29.864 5.745 ( -31.288 -5.786 -5.217) 32.244 5.958 ( -10.149 12.629 -8.205) 18.161 6.288 ( 14.600 11.159 11.331) 21.589 6.889 ( 2.403 -4.544 16.761) 17.531 7.588 ( -7.973 -3.109 5.180) 10.003 7.881 ( -7.895 0.559 14.177) 16.237 8.608 ( -6.258 -4.082 -11.865) 14.022 9.373 ( 5.017 2.029 10.260) 11.600 10.111 ( 6.023 3.781 -12.542) 14.418 10.487 ( -0.378 -3.907 -1.531) 4.213 11.843 ( -8.309 4.289 -11.773) 15.035 12.497 ( 9.730 -3.923 7.736) 13.035 12.663 ( -7.328 -4.993 2.723) 9.276 12.844 ( -4.485 -4.853 9.301) 11.409 13.819 ( 1.554 2.388 4.864) 5.637 13.956 ( -9.437 4.288 5.160) 11.579 14.618 ( 4.831 2.844 -5.024) 7.527 15.203 ( -1.104 -3.110 8.305) 8.936 16.921 ( 3.050 2.007 -11.949) 12.495 17.230 ( 5.462 3.186 -6.811) 9.294 17.384 ( -0.979 -4.200 4.224) 6.037 17.542 ( -1.715 0.673 2.166) 2.843 ======================= Grid point 153 (53/146) ======================= q-point: (-0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -18.051 -10.071 1.498) 20.724 2.514 ( -19.749 -7.641 1.898) 21.261 2.819 ( 3.498 -0.581 1.341) 3.791 3.288 ( 16.333 6.242 -1.026) 17.515 3.711 ( 12.818 4.487 3.502) 14.025 4.006 ( 12.527 13.479 7.877) 20.017 4.914 ( -24.653 -16.024 -5.259) 29.869 5.137 ( 0.680 -16.425 -13.382) 21.197 5.425 ( 13.635 6.876 -13.289) 20.243 5.836 ( -12.409 13.701 -8.805) 20.475 6.648 ( 11.129 4.783 6.749) 13.867 6.947 ( -1.215 -6.266 15.428) 16.696 7.488 ( -4.717 -2.615 6.039) 8.097 7.855 ( -6.767 2.228 12.429) 14.326 8.386 ( -6.302 -5.440 -9.882) 12.921 9.486 ( 0.160 -0.737 7.698) 7.734 10.138 ( 0.957 4.055 -13.622) 14.245 10.460 ( 1.958 -0.935 -0.909) 2.352 11.665 ( -9.081 1.673 -8.537) 12.575 12.448 ( -13.290 -6.876 2.832) 15.229 12.595 ( 5.741 -1.474 -2.320) 6.365 12.826 ( 0.254 -5.970 11.320) 12.800 13.894 ( -0.344 3.855 5.145) 6.438 13.933 ( -2.398 3.146 6.995) 8.036 14.727 ( 6.583 1.842 -0.732) 6.875 15.248 ( 4.220 -1.095 4.461) 6.237 16.887 ( -0.869 4.543 -13.808) 14.562 17.289 ( 3.094 -3.786 -0.518) 4.917 17.371 ( 1.354 0.631 0.556) 1.594 17.528 ( -2.465 0.528 2.000) 3.218 ======================= Grid point 154 (54/146) ======================= q-point: (-0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -20.886 -9.935 4.444) 23.552 2.097 ( -23.743 -7.309 3.070) 25.031 2.962 ( 11.435 2.250 1.223) 11.718 3.546 ( 5.625 1.881 -2.687) 6.511 4.010 ( 14.959 3.711 4.024) 15.929 4.074 ( -28.516 -6.515 -0.925) 29.265 4.488 ( 3.087 11.208 6.428) 13.284 5.029 ( 12.150 -17.166 -12.463) 24.447 5.665 ( 9.559 7.029 -7.698) 14.144 5.719 ( -5.216 12.398 -11.141) 17.465 6.803 ( 2.303 -5.547 6.363) 8.750 6.946 ( -1.678 -1.823 8.125) 8.495 7.470 ( -0.105 -2.829 10.064) 10.455 7.859 ( -4.961 3.892 10.599) 12.332 8.189 ( -5.192 -5.141 -5.442) 9.110 9.442 ( -7.031 -4.555 4.454) 9.488 10.032 ( -7.943 4.022 -11.707) 14.708 10.540 ( 7.892 1.643 -1.552) 8.209 11.475 ( -9.400 0.445 -5.282) 10.791 12.133 ( -18.903 -6.102 3.281) 20.133 12.747 ( 14.462 3.882 -4.119) 15.531 12.828 ( -1.086 -7.415 10.501) 12.901 13.946 ( -0.239 2.828 4.038) 4.935 13.999 ( 1.846 -0.132 7.941) 8.154 14.830 ( 3.447 0.725 1.612) 3.873 15.372 ( 9.540 -0.297 0.447) 9.555 16.819 ( -2.818 7.127 -14.809) 16.675 17.255 ( -1.362 -5.970 3.332) 6.971 17.439 ( 3.972 1.823 -2.055) 4.830 17.496 ( -2.858 0.133 2.206) 3.612 ======================= Grid point 155 (55/146) ======================= q-point: (-0.09 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -22.731 -8.326 9.481) 25.998 1.641 ( -26.778 -6.194 5.678) 28.066 3.030 ( -50.248 -7.259 6.439) 51.177 3.212 ( 14.515 1.920 -0.025) 14.641 3.993 ( 13.748 4.303 -8.520) 16.736 4.314 ( 16.357 -0.325 4.549) 16.981 4.681 ( 3.273 4.000 0.146) 5.171 5.050 ( 10.010 -4.700 -8.744) 14.098 5.602 ( -9.850 8.214 1.828) 12.955 5.932 ( 14.222 8.435 -12.089) 20.483 6.729 ( -4.571 -11.404 7.766) 14.535 6.956 ( -0.428 0.812 -0.639) 1.118 7.551 ( 4.865 -5.538 14.085) 15.897 7.895 ( -1.408 1.667 7.017) 7.348 8.079 ( -4.343 2.117 5.912) 7.636 9.238 ( -11.058 -9.087 0.612) 14.326 9.870 ( -11.470 9.312 -2.953) 15.066 10.700 ( 10.517 1.216 -3.022) 11.010 11.317 ( -7.934 2.078 -2.099) 8.466 11.780 ( -20.033 -4.236 4.721) 21.013 12.753 ( -3.759 -8.980 5.889) 11.378 13.095 ( 21.329 6.675 -0.682) 22.359 13.974 ( 1.449 -2.563 -2.241) 3.700 14.068 ( 1.637 -2.430 7.698) 8.237 14.862 ( -1.894 0.150 3.289) 3.798 15.546 ( 11.971 -0.183 -2.280) 12.187 16.766 ( -2.592 11.054 -13.396) 17.560 17.189 ( -2.800 -4.291 2.426) 5.669 17.414 ( -3.815 -2.723 0.875) 4.768 17.538 ( 3.688 1.530 0.069) 3.994 ======================= Grid point 159 (56/146) ======================= q-point: ( 0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -0.000 17.587 16.444) 24.077 1.805 ( -0.000 20.107 20.874) 28.982 2.975 ( -0.000 33.060 23.696) 40.675 3.334 ( 0.000 -8.719 -2.412) 9.047 3.748 ( 0.000 -13.168 -14.973) 19.939 4.507 ( 0.000 -4.389 -17.313) 17.860 4.586 ( 0.000 1.943 -2.722) 3.344 4.844 ( -0.000 -14.665 3.338) 15.041 5.707 ( 0.000 -21.125 -11.587) 24.094 5.815 ( -0.000 -0.836 13.436) 13.462 6.756 ( 0.000 3.162 -9.354) 9.875 6.887 ( -0.000 13.214 2.937) 13.536 8.096 ( -0.000 1.580 7.049) 7.224 8.148 ( -0.000 7.624 16.111) 17.823 8.453 ( -0.000 -8.055 10.464) 13.206 9.332 ( -0.000 12.410 2.523) 12.663 9.811 ( -0.000 -21.982 10.265) 24.260 10.697 ( 0.000 -11.569 -5.328) 12.737 11.172 ( -0.000 0.931 0.112) 0.937 11.799 ( -0.000 20.084 10.418) 22.625 12.846 ( 0.000 12.423 -0.797) 12.448 13.360 ( 0.000 4.417 -11.760) 12.562 13.598 ( -0.000 -7.770 0.909) 7.823 14.582 ( -0.000 2.565 20.667) 20.826 15.026 ( -0.000 4.386 10.231) 11.132 15.548 ( 0.000 -10.025 -7.503) 12.522 16.364 ( 0.000 -12.495 -9.655) 15.791 17.036 ( 0.000 6.752 -7.451) 10.055 17.457 ( -0.000 2.590 2.392) 3.526 17.575 ( -0.000 -3.733 0.192) 3.738 ======================= Grid point 160 (57/146) ======================= q-point: ( 0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 5.418 15.157 13.777) 21.187 2.089 ( -2.350 18.475 18.415) 26.191 3.198 ( -5.216 -7.086 -0.010) 8.799 3.513 ( 12.090 24.413 4.801) 27.662 3.552 ( 1.248 -7.870 -7.283) 10.795 4.270 ( -6.685 -8.516 -10.926) 15.381 4.636 ( -7.559 -9.589 -2.980) 12.568 4.706 ( 8.470 1.257 2.965) 9.061 5.397 ( -1.120 -23.349 -13.363) 26.926 5.965 ( 9.294 -4.298 12.494) 16.154 6.706 ( -3.535 5.879 -7.478) 10.148 6.993 ( -4.087 10.724 1.388) 11.560 8.118 ( -4.416 1.401 8.929) 10.059 8.222 ( -9.431 2.724 16.021) 18.790 8.564 ( 9.045 1.097 8.547) 12.493 9.262 ( -13.035 2.300 3.990) 13.825 9.919 ( 19.870 -9.171 1.342) 21.926 10.469 ( -7.813 -10.924 -7.612) 15.437 11.308 ( 13.687 -0.011 1.776) 13.801 12.083 ( 2.209 19.731 9.612) 22.058 12.840 ( -12.442 16.516 -2.526) 20.832 13.231 ( -0.802 -23.765 6.524) 24.657 13.650 ( 2.888 11.949 -8.616) 15.012 14.628 ( -11.253 3.425 19.514) 22.785 15.157 ( 2.892 -0.378 10.940) 11.322 15.310 ( -9.509 -10.112 -9.203) 16.654 16.320 ( 13.515 -8.444 -10.725) 19.209 17.056 ( 0.659 6.888 -8.719) 11.131 17.467 ( -2.019 -0.140 2.535) 3.244 17.554 ( 1.126 -2.656 0.694) 2.967 ======================= Grid point 161 (58/146) ======================= q-point: ( 0.45 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 7.276 10.686 12.309) 17.851 2.328 ( 0.411 16.341 12.502) 20.579 3.075 ( -4.699 -2.946 4.423) 7.094 3.385 ( -0.308 -7.364 -10.140) 12.536 3.843 ( -0.667 7.618 -8.019) 11.081 3.990 ( -11.251 -12.736 -2.689) 17.205 4.458 ( 2.446 -1.277 -6.203) 6.789 5.010 ( 14.746 7.924 6.879) 18.099 5.099 ( 5.835 -22.542 -10.735) 25.640 6.146 ( 8.011 -3.497 8.109) 11.923 6.678 ( -1.833 4.960 -2.679) 5.928 6.955 ( -12.373 8.210 0.348) 14.853 8.064 ( -8.900 -1.379 7.467) 11.700 8.180 ( -8.518 0.932 16.088) 18.228 8.776 ( 5.022 6.669 3.052) 8.889 9.126 ( -5.323 -2.346 6.046) 8.390 10.151 ( 11.617 -5.795 -7.066) 14.781 10.201 ( -1.507 -7.385 -6.518) 9.965 11.606 ( 19.496 -0.872 4.892) 20.119 12.282 ( -4.966 15.078 0.604) 15.886 12.822 ( -7.435 17.415 3.506) 19.257 13.029 ( -2.020 -22.812 9.485) 24.787 13.740 ( 0.726 8.397 -3.373) 9.078 14.563 ( -14.603 4.273 17.395) 23.111 14.924 ( -12.471 -9.760 -13.698) 20.938 15.263 ( 0.876 -3.397 10.205) 10.791 16.460 ( 16.583 -3.786 -9.234) 19.354 17.080 ( 1.506 6.770 -10.181) 12.319 17.438 ( -1.449 -3.052 3.450) 4.828 17.561 ( 0.722 -0.836 0.948) 1.456 ======================= Grid point 162 (59/146) ======================= q-point: ( 0.55 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 4.270 7.505 11.187) 14.132 2.597 ( 7.926 11.477 6.083) 15.217 2.998 ( -7.366 -3.866 4.947) 9.679 3.331 ( 4.239 1.241 -1.701) 4.734 3.596 ( -19.195 -10.938 -1.063) 22.119 3.675 ( -7.896 -4.800 -9.276) 13.093 4.583 ( 14.438 2.691 -11.995) 18.962 4.845 ( 8.171 -23.559 -17.959) 30.730 5.555 ( 20.873 12.233 14.894) 28.411 6.230 ( -0.734 3.446 -1.533) 3.842 6.682 ( -7.274 -4.215 4.354) 9.468 6.779 ( -10.357 7.573 1.825) 12.959 7.917 ( -11.064 -2.715 6.403) 13.068 8.150 ( -7.763 0.175 14.575) 16.515 8.798 ( -5.206 1.908 -7.109) 9.016 9.181 ( 5.218 0.372 10.949) 12.134 9.996 ( -0.872 -2.824 -10.269) 10.686 10.326 ( 11.024 -4.661 -5.116) 13.017 11.966 ( 19.676 -0.768 7.084) 20.926 12.219 ( -12.469 10.891 -7.044) 17.992 12.860 ( -2.788 -15.907 8.260) 18.139 12.927 ( -2.690 7.398 8.447) 11.546 13.801 ( -0.243 5.399 1.465) 5.600 14.416 ( -17.627 2.225 7.234) 19.183 14.626 ( -5.243 -1.580 -7.910) 9.620 15.269 ( -1.356 -5.858 7.813) 9.860 16.645 ( 13.680 -0.326 -6.736) 15.252 17.105 ( 2.287 5.831 -10.939) 12.606 17.410 ( -0.858 -3.812 4.237) 5.764 17.568 ( 0.137 -0.357 0.827) 0.911 ======================= Grid point 163 (60/146) ======================= q-point: (-0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( 0.706 -1.499 3.872) 4.211 2.816 ( -8.655 -2.375 5.949) 10.768 2.859 ( 7.634 6.787 2.051) 10.418 3.149 ( -18.571 -8.226 1.080) 20.340 3.488 ( -1.329 -2.782 -2.771) 4.145 3.583 ( 11.371 10.709 3.718) 16.056 4.673 ( 11.018 -22.099 -17.446) 30.234 4.794 ( 16.715 2.895 -12.520) 21.084 6.025 ( 10.989 7.234 7.293) 15.042 6.137 ( -16.309 5.229 -8.128) 18.957 6.408 ( -13.782 5.450 4.730) 15.556 6.844 ( 5.500 -5.725 9.591) 12.451 7.746 ( -10.370 -3.245 5.906) 12.367 8.107 ( -7.627 -0.167 12.181) 14.372 8.629 ( -8.242 -2.289 -7.272) 11.227 9.345 ( 6.089 0.699 6.497) 8.932 9.986 ( 5.450 3.615 -8.322) 10.585 10.386 ( 5.464 -4.055 -4.512) 8.164 12.037 ( -13.930 9.300 -7.511) 18.356 12.304 ( 15.524 -2.352 7.300) 17.315 12.725 ( -4.180 -10.464 5.516) 12.545 12.905 ( -5.844 -4.760 4.328) 8.691 13.861 ( 0.346 3.377 4.528) 5.659 14.210 ( -11.992 5.014 0.032) 12.998 14.582 ( -0.130 2.280 1.051) 2.514 15.223 ( -1.343 -6.125 4.744) 7.863 16.802 ( 7.981 3.120 -5.757) 10.324 17.131 ( 3.575 3.196 -9.626) 10.755 17.390 ( -0.858 -3.233 4.413) 5.538 17.569 ( -0.229 -0.122 0.431) 0.503 ======================= Grid point 164 (61/146) ======================= q-point: (-0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -15.283 -7.539 2.221) 17.185 2.735 ( -8.923 -3.638 2.322) 9.912 2.830 ( -10.036 -3.391 1.186) 10.660 3.094 ( 12.332 4.084 0.655) 13.008 3.567 ( 10.191 2.300 1.560) 10.563 3.977 ( 14.749 15.625 8.474) 23.097 4.556 ( 11.496 -20.446 -15.319) 28.015 5.028 ( 15.481 3.628 -11.159) 19.425 5.636 ( -34.108 0.190 -4.181) 34.364 6.085 ( -8.727 9.120 -4.848) 13.522 6.558 ( 9.752 5.344 5.969) 12.621 6.918 ( 4.532 -9.759 9.875) 14.604 7.603 ( -7.623 -3.354 7.022) 10.894 8.049 ( -6.151 -1.451 7.678) 9.945 8.429 ( -9.227 -1.715 -1.855) 9.567 9.457 ( 4.734 -1.477 0.606) 4.996 10.089 ( 4.456 7.298 -6.152) 10.534 10.394 ( 2.879 -2.142 -3.462) 4.987 11.847 ( -13.262 6.471 -5.477) 15.740 12.485 ( 4.952 -2.771 1.199) 5.800 12.577 ( -7.113 -5.844 2.969) 9.672 12.799 ( -0.021 -8.659 5.823) 10.435 13.932 ( 1.325 1.315 6.091) 6.371 14.105 ( -7.852 4.234 1.423) 9.033 14.649 ( 4.241 1.329 3.111) 5.425 15.190 ( 1.750 -4.350 1.114) 4.819 16.881 ( 0.771 7.480 -8.407) 11.279 17.171 ( 5.462 -1.615 -3.766) 6.828 17.378 ( -0.653 -1.148 3.104) 3.373 17.562 ( -0.745 -0.096 -0.091) 0.757 ======================= Grid point 165 (62/146) ======================= q-point: (-0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -18.545 -5.810 4.693) 19.992 2.429 ( -20.483 -3.335 1.791) 20.830 2.827 ( 6.051 -0.702 1.931) 6.390 3.351 ( 14.750 2.627 -0.973) 15.014 3.800 ( 14.252 0.305 0.643) 14.270 4.367 ( -1.663 5.799 2.017) 6.361 4.503 ( 18.813 -6.246 -6.503) 20.863 4.895 ( -30.190 -1.378 0.869) 30.234 5.407 ( 13.271 8.435 -11.610) 19.546 5.974 ( -11.283 9.627 -4.345) 15.456 6.733 ( 5.001 -2.182 3.077) 6.264 6.932 ( 2.667 -9.646 6.484) 11.925 7.531 ( -3.375 -3.585 9.937) 11.090 7.965 ( -3.216 -5.623 1.201) 6.588 8.302 ( -8.915 3.551 8.217) 12.634 9.457 ( -0.621 -4.083 -4.974) 6.465 10.153 ( -2.762 8.691 -2.852) 9.555 10.420 ( 4.981 -0.096 -3.854) 6.298 11.657 ( -12.612 4.525 -2.621) 13.653 12.382 ( -13.071 -3.111 3.194) 13.811 12.555 ( 8.385 0.720 -2.898) 8.901 12.795 ( 1.810 -8.826 8.192) 12.177 13.995 ( 0.844 -0.642 4.198) 4.330 14.027 ( -3.829 -1.997 2.956) 5.233 14.772 ( 6.023 0.676 4.590) 7.603 15.218 ( 6.176 -2.642 -2.423) 7.141 16.880 ( -3.266 10.737 -10.922) 15.660 17.212 ( 2.817 -5.089 3.285) 6.680 17.396 ( 1.653 1.668 -0.459) 2.393 17.537 ( -1.665 -0.734 -0.228) 1.834 ======================= Grid point 166 (63/146) ======================= q-point: (-0.09 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -20.483 -2.340 8.304) 22.225 2.055 ( -23.935 -1.502 3.860) 24.291 2.988 ( 12.155 -1.025 0.848) 12.228 3.576 ( 3.867 3.303 0.546) 5.115 3.950 ( -14.038 -3.555 -3.658) 14.936 4.078 ( 1.654 -0.578 1.542) 2.334 4.566 ( 2.503 -11.449 -5.630) 13.002 4.894 ( 9.611 15.967 3.097) 18.892 5.693 ( 16.511 10.410 -10.852) 22.332 5.861 ( -10.693 7.978 0.947) 13.375 6.707 ( -2.251 -10.706 3.025) 11.351 6.924 ( 2.670 -5.497 0.004) 6.112 7.543 ( 0.598 -4.772 13.053) 13.911 7.870 ( -0.107 -8.497 1.084) 8.567 8.313 ( -5.942 9.086 14.954) 18.480 9.292 ( -7.737 -6.337 -8.365) 13.038 10.153 ( -7.925 11.958 2.903) 14.636 10.508 ( 8.982 -0.493 -5.410) 10.497 11.506 ( -10.486 6.043 0.811) 12.130 12.117 ( -18.948 -0.941 4.608) 19.523 12.712 ( 1.861 -8.988 1.613) 9.319 12.830 ( 14.622 2.322 2.564) 15.026 13.920 ( -2.049 -5.413 -3.971) 7.019 14.047 ( 1.859 -5.708 7.725) 9.783 14.891 ( 2.798 0.750 6.021) 6.682 15.315 ( 11.032 -2.024 -5.197) 12.362 16.867 ( -3.536 13.574 -10.747) 17.671 17.205 ( -1.151 -4.053 4.986) 6.528 17.423 ( -0.389 -0.288 -3.590) 3.622 17.511 ( 0.717 -0.653 1.574) 1.849 ======================= Grid point 171 (64/146) ======================= q-point: ( 0.36 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -0.000 12.751 12.161) 17.621 2.409 ( -0.000 17.319 18.060) 25.022 3.187 ( -0.000 -5.880 2.901) 6.557 3.369 ( 0.000 -7.233 -13.100) 14.964 3.706 ( 0.000 23.795 1.968) 23.877 4.133 ( 0.000 -11.339 -16.353) 19.900 4.585 ( 0.000 -14.336 -1.443) 14.409 4.693 ( -0.000 7.072 9.432) 11.789 5.122 ( 0.000 -22.403 -13.153) 25.979 5.894 ( -0.000 -8.659 13.745) 16.245 6.733 ( 0.000 6.075 -8.478) 10.430 7.147 ( -0.000 10.882 1.250) 10.953 8.215 ( -0.000 1.547 6.434) 6.617 8.452 ( -0.000 -3.771 6.891) 7.855 8.562 ( -0.000 11.213 19.494) 22.489 9.536 ( 0.000 9.401 -3.241) 9.944 9.539 ( -0.000 -15.997 3.598) 16.396 10.381 ( 0.000 -13.272 -6.504) 14.780 11.195 ( 0.000 1.916 -0.762) 2.062 12.331 ( -0.000 20.308 10.904) 23.050 13.035 ( -0.000 -25.660 7.683) 26.785 13.080 ( 0.000 12.827 -0.864) 12.857 13.700 ( 0.000 16.147 -10.929) 19.498 14.852 ( -0.000 -2.729 16.885) 17.104 15.196 ( -0.000 -0.297 9.924) 9.928 15.277 ( 0.000 -6.329 -5.485) 8.375 16.040 ( 0.000 -7.372 -10.505) 12.834 17.055 ( 0.000 5.875 -9.125) 10.853 17.500 ( -0.000 -4.840 1.371) 5.030 17.510 ( -0.000 0.638 1.305) 1.452 ======================= Grid point 172 (65/146) ======================= q-point: ( 0.45 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 4.098 8.827 9.630) 13.692 2.624 ( -4.708 15.045 15.115) 21.840 3.147 ( -2.663 -1.924 6.421) 7.212 3.254 ( 1.197 -4.675 -9.381) 10.550 3.853 ( -3.170 0.335 -13.380) 13.754 3.959 ( 2.471 1.942 -8.108) 8.696 4.391 ( -3.354 -11.638 -4.283) 12.846 4.773 ( -4.786 -22.537 -12.513) 26.218 4.969 ( 11.809 11.560 14.628) 22.070 5.977 ( 10.187 -10.345 11.599) 18.583 6.729 ( -1.748 6.256 -6.963) 9.523 7.198 ( -6.161 8.821 0.278) 10.763 8.218 ( -5.373 -0.296 5.698) 7.838 8.396 ( -6.694 -0.321 7.692) 10.202 8.832 ( 3.689 9.806 13.950) 17.446 9.248 ( -10.998 -6.223 1.809) 12.766 9.806 ( 17.164 -0.584 -5.593) 18.062 10.162 ( -5.555 -11.035 -6.438) 13.931 11.336 ( 14.103 1.099 0.974) 14.179 12.542 ( -4.755 16.198 5.952) 17.900 12.851 ( 0.557 -22.382 9.753) 24.421 13.132 ( -6.546 12.358 0.639) 13.999 13.794 ( 0.843 12.374 -6.807) 14.148 14.818 ( -4.837 -6.765 3.353) 8.967 15.056 ( -17.627 -1.377 2.947) 17.925 15.259 ( 1.277 -3.722 6.071) 7.235 16.097 ( 16.692 -2.792 -6.024) 17.964 17.055 ( 0.766 5.394 -9.810) 11.222 17.449 ( -1.426 -4.003 2.721) 5.046 17.536 ( 1.496 -0.699 0.669) 1.782 ======================= Grid point 173 (66/146) ======================= q-point: ( 0.55 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 6.039 3.968 7.118) 10.143 2.754 ( -4.230 12.393 10.328) 16.678 3.106 ( -5.730 -3.786 5.002) 8.496 3.260 ( 5.953 4.232 -0.199) 7.306 3.627 ( -5.940 -8.553 -10.209) 14.582 3.853 ( -15.590 -1.381 -3.843) 16.116 4.319 ( 9.024 -3.748 -11.285) 14.927 4.442 ( 1.623 -18.890 -12.412) 22.661 5.438 ( 18.197 11.976 13.653) 25.709 6.134 ( 11.305 -8.046 7.032) 15.556 6.707 ( -2.422 3.024 -3.504) 5.224 7.107 ( -13.818 6.881 -0.685) 15.452 8.107 ( -10.047 -2.223 4.864) 11.382 8.333 ( -6.240 -0.016 5.635) 8.408 8.920 ( -8.786 2.618 1.676) 9.320 9.167 ( 3.316 -0.766 8.202) 8.881 9.912 ( 1.248 -5.079 -8.987) 10.398 10.069 ( 10.259 -1.744 -3.486) 10.974 11.652 ( 20.744 0.016 3.604) 21.055 12.499 ( -11.404 3.758 -0.640) 12.024 12.775 ( -0.613 -9.609 8.753) 13.013 13.135 ( -6.870 7.109 3.212) 10.395 13.869 ( -0.163 7.645 -1.296) 7.756 14.611 ( -8.865 -2.914 -14.545) 17.281 14.819 ( -15.605 0.062 15.325) 21.871 15.251 ( 0.217 -6.009 2.346) 6.455 16.361 ( 17.568 0.436 -1.447) 17.633 17.061 ( 1.285 5.159 -10.070) 11.387 17.416 ( -0.808 -3.518 3.870) 5.293 17.553 ( 1.094 -0.836 0.128) 1.383 ======================= Grid point 174 (67/146) ======================= q-point: ( 0.64 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 2.972 -1.037 4.644) 5.610 2.858 ( 0.228 6.333 2.328) 6.751 2.984 ( -8.149 -2.296 6.649) 10.765 3.362 ( -13.059 -6.219 -2.505) 14.680 3.493 ( 8.103 5.475 3.817) 10.498 3.541 ( -8.030 0.457 -3.068) 8.608 4.234 ( 7.545 -15.699 -11.944) 21.120 4.496 ( 13.909 3.502 -10.263) 17.636 5.900 ( 16.755 6.936 8.679) 20.104 6.253 ( 4.191 0.005 -0.659) 4.243 6.645 ( -5.562 -5.038 3.830) 8.425 6.893 ( -14.865 4.637 -1.774) 15.673 7.930 ( -11.252 -3.029 4.506) 12.493 8.246 ( -5.796 -2.153 0.989) 6.261 8.766 ( -10.799 -0.095 3.222) 11.270 9.274 ( 5.097 -1.123 0.959) 5.306 9.898 ( 4.632 2.070 -1.911) 5.421 10.203 ( 9.149 -0.990 -4.926) 10.438 12.026 ( 20.736 -0.940 4.678) 21.277 12.315 ( -12.747 2.875 -2.052) 13.227 12.717 ( -3.225 -4.603 5.211) 7.665 13.019 ( -10.590 -4.392 0.268) 11.468 13.921 ( -0.508 3.632 3.030) 4.757 14.387 ( -8.414 4.773 -11.860) 15.305 14.707 ( -8.302 -0.954 12.309) 14.878 15.190 ( -0.674 -6.392 -0.480) 6.445 16.634 ( 13.812 2.233 0.994) 14.026 17.067 ( 1.162 4.813 -9.725) 10.913 17.402 ( -0.503 -2.742 4.447) 5.248 17.559 ( 0.685 -0.633 -0.570) 1.093 ======================= Grid point 175 (68/146) ======================= q-point: (-0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( -8.425 -3.648 2.280) 9.460 2.818 ( -4.219 -3.588 0.490) 5.560 2.983 ( -1.300 0.191 2.088) 2.468 3.059 ( -11.698 -0.680 2.010) 11.889 3.459 ( 3.292 0.138 0.107) 3.297 3.835 ( 18.366 1.739 -1.822) 18.538 4.217 ( 6.548 -0.434 -0.855) 6.618 4.736 ( 16.622 6.525 -9.795) 20.367 6.133 ( -20.939 4.063 -4.424) 21.783 6.172 ( 3.184 2.093 0.861) 3.907 6.543 ( 0.091 -0.383 6.555) 6.567 6.784 ( 1.733 -7.277 1.369) 7.605 7.754 ( -9.614 -3.549 5.625) 11.690 8.108 ( -5.190 -5.369 -4.366) 8.650 8.635 ( -10.752 2.284 9.577) 14.579 9.329 ( 6.041 -2.681 -5.728) 8.746 10.045 ( 6.855 6.185 1.367) 9.333 10.287 ( 5.336 0.100 -4.373) 6.900 12.115 ( -13.641 4.341 -1.678) 14.413 12.330 ( 13.212 -2.675 2.022) 13.630 12.651 ( -4.914 -1.163 2.602) 5.680 12.778 ( -6.676 -8.670 -0.047) 10.943 13.961 ( 0.123 -0.347 5.537) 5.549 14.244 ( -7.283 2.328 -7.154) 10.471 14.682 ( -2.433 0.095 9.307) 9.621 15.120 ( 0.542 -4.740 -3.074) 5.676 16.858 ( 8.043 4.677 1.196) 9.380 17.071 ( 1.659 3.263 -7.844) 8.656 17.400 ( -0.549 -1.690 4.459) 4.800 17.555 ( 0.275 -0.460 -1.522) 1.613 ======================= Grid point 176 (69/146) ======================= q-point: (-0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( -15.134 -1.523 3.611) 15.633 2.715 ( -13.222 -0.616 2.035) 13.392 2.792 ( -2.962 -1.727 -0.134) 3.432 3.158 ( 9.963 0.266 2.623) 10.306 3.570 ( 10.520 -2.712 -1.534) 10.972 4.008 ( 15.897 -13.204 -11.476) 23.637 4.489 ( 8.371 19.716 10.016) 23.646 5.028 ( 15.021 9.079 -7.440) 19.064 5.641 ( -33.611 4.131 -1.419) 33.893 6.183 ( -5.797 4.956 -0.828) 7.672 6.640 ( 5.398 -0.954 0.582) 5.512 6.764 ( 6.090 -14.900 2.980) 16.370 7.631 ( -5.946 -3.972 8.290) 10.948 7.935 ( -3.769 -7.850 -5.333) 10.211 8.579 ( -9.522 5.246 14.131) 17.830 9.342 ( 4.252 -3.447 -9.814) 11.237 10.214 ( 4.034 7.256 1.580) 8.451 10.333 ( 3.131 1.162 -4.320) 5.460 11.922 ( -14.015 4.770 0.119) 14.805 12.424 ( 5.585 -3.022 -3.469) 7.236 12.545 ( -7.671 0.925 1.376) 7.848 12.731 ( 2.725 -6.023 6.318) 9.144 13.986 ( 0.941 -4.144 6.157) 7.481 14.082 ( -6.592 -3.943 -5.202) 9.277 14.741 ( 2.392 0.716 7.990) 8.371 15.090 ( 3.377 -2.907 -5.370) 6.978 16.972 ( -1.413 10.403 -6.006) 12.095 17.117 ( 5.869 -1.637 1.441) 6.261 17.406 ( -0.543 -0.081 2.928) 2.979 17.537 ( -0.382 -1.068 -2.101) 2.388 ======================= Grid point 177 (70/146) ======================= q-point: (-0.09 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -17.259 2.404 6.240) 18.509 2.439 ( -19.969 1.576 2.336) 20.167 2.838 ( 5.941 -1.192 2.492) 6.552 3.376 ( 15.004 0.089 0.106) 15.005 3.706 ( 13.306 -7.169 -3.863) 15.601 4.036 ( 10.199 -11.396 -9.865) 18.199 4.768 ( -12.345 12.832 2.390) 17.966 5.084 ( -13.422 13.599 8.488) 20.908 5.474 ( 12.875 12.007 -8.880) 19.718 6.107 ( -9.365 6.059 2.314) 11.392 6.644 ( -0.419 -9.740 0.639) 9.770 6.743 ( 8.089 -12.670 -2.116) 15.180 7.589 ( -1.819 -4.470 11.467) 12.442 7.793 ( -0.791 -8.558 -1.399) 8.707 8.596 ( -7.032 7.245 15.969) 18.893 9.261 ( -1.736 -3.846 -12.169) 12.880 10.331 ( 1.375 7.162 0.205) 7.295 10.368 ( 2.583 1.958 -3.058) 4.456 11.772 ( -11.741 7.311 3.568) 14.284 12.385 ( -9.075 -0.348 -1.037) 9.141 12.564 ( 7.330 -0.202 3.452) 8.105 12.725 ( 0.969 -4.742 3.188) 5.796 13.890 ( -4.812 -6.614 -5.268) 9.729 14.001 ( 1.554 -7.711 7.183) 10.652 14.864 ( 5.409 0.691 7.318) 9.127 15.105 ( 6.495 -2.918 -7.247) 10.160 16.985 ( -3.147 12.175 -9.056) 15.497 17.203 ( 2.540 -2.151 6.485) 7.289 17.410 ( -0.667 1.216 -2.886) 3.202 17.502 ( -0.248 -2.434 0.614) 2.523 ======================= Grid point 183 (71/146) ======================= q-point: ( 0.45 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( -0.000 5.042 7.543) 9.073 2.886 ( -0.000 11.396 12.937) 17.241 3.161 ( 0.000 -0.917 -7.531) 7.587 3.206 ( -0.000 -0.804 9.419) 9.454 3.735 ( 0.000 -8.552 -14.210) 16.585 3.958 ( 0.000 13.307 -12.004) 17.921 4.231 ( 0.000 -17.577 -6.018) 18.579 4.632 ( 0.000 -13.547 -6.186) 14.892 5.051 ( -0.000 10.989 13.982) 17.784 5.831 ( -0.000 -14.686 11.779) 18.827 6.764 ( 0.000 6.988 -7.161) 10.006 7.322 ( 0.000 6.873 -0.470) 6.889 8.292 ( -0.000 -0.943 4.393) 4.493 8.470 ( -0.000 -0.172 0.926) 0.942 8.998 ( -0.000 9.050 15.469) 17.921 9.311 ( -0.000 -11.339 3.151) 11.769 9.607 ( 0.000 6.616 -9.371) 11.471 10.069 ( 0.000 -11.646 -2.632) 11.940 11.229 ( 0.000 2.344 -0.221) 2.355 12.682 ( -0.000 -21.646 8.975) 23.433 12.788 ( -0.000 15.366 6.014) 16.501 13.289 ( 0.000 8.222 0.699) 8.251 13.862 ( 0.000 12.372 -7.255) 14.342 14.757 ( 0.000 -8.705 -6.111) 10.636 15.232 ( -0.000 -3.262 0.543) 3.307 15.303 ( -0.000 0.129 10.523) 10.523 15.870 ( 0.000 -1.749 -1.241) 2.145 17.039 ( 0.000 4.946 -8.725) 10.029 17.436 ( -0.000 -4.387 2.579) 5.089 17.523 ( -0.000 -0.406 0.831) 0.925 ======================= Grid point 184 (72/146) ======================= q-point: ( 0.55 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 3.287 1.293 5.543) 6.572 2.997 ( -4.864 7.231 7.297) 11.367 3.139 ( 0.453 0.208 -2.176) 2.232 3.251 ( 0.633 -0.644 7.416) 7.471 3.570 ( -2.777 -3.788 -10.525) 11.526 4.000 ( -1.913 7.668 -8.313) 11.470 4.069 ( 3.150 -9.474 -8.067) 12.836 4.368 ( -12.188 -9.332 -0.948) 15.379 5.354 ( 13.350 9.612 10.495) 19.512 5.857 ( 12.043 -15.948 8.774) 21.826 6.766 ( -2.356 6.013 -6.051) 8.850 7.322 ( -6.260 4.828 -1.321) 8.015 8.249 ( -6.158 -2.309 3.364) 7.387 8.427 ( -4.173 -0.018 -2.907) 5.086 9.117 ( -7.154 0.989 6.874) 9.970 9.162 ( -1.275 -3.142 2.098) 3.987 9.725 ( 9.910 2.526 -7.020) 12.405 9.965 ( 0.254 -5.274 2.222) 5.728 11.374 ( 14.020 1.318 1.476) 14.159 12.535 ( -1.868 -16.114 7.529) 17.884 12.900 ( -4.887 10.338 1.870) 11.587 13.303 ( -5.537 2.961 0.649) 6.313 13.930 ( 0.190 8.469 -3.852) 9.306 14.609 ( -3.917 -2.739 -10.770) 11.783 15.151 ( -12.729 -3.994 3.568) 13.810 15.207 ( -3.937 -2.015 2.704) 5.183 16.070 ( 18.025 -0.024 4.249) 18.519 17.042 ( 0.397 5.449 -7.173) 9.017 17.412 ( -0.164 -3.676 3.137) 4.836 17.530 ( 0.746 -0.609 0.509) 1.090 ======================= Grid point 185 (73/146) ======================= q-point: ( 0.64 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 4.527 -1.785 3.822) 6.188 2.963 ( -6.064 1.304 -0.612) 6.233 3.091 ( -4.344 -5.160 3.898) 7.790 3.346 ( 9.250 -1.454 -3.207) 9.897 3.450 ( -4.945 1.658 -3.612) 6.344 3.827 ( -21.004 2.172 -0.976) 21.138 4.037 ( 3.705 0.734 3.787) 5.348 4.292 ( 8.091 3.709 -6.053) 10.764 5.729 ( 15.757 4.001 6.122) 17.372 6.004 ( 16.975 -13.065 5.220) 22.048 6.720 ( -5.042 3.534 -4.118) 7.407 7.183 ( -13.811 2.841 -2.172) 14.266 8.103 ( -10.073 -2.996 2.497) 10.801 8.296 ( -6.077 -2.402 -7.594) 10.019 8.983 ( -10.156 -0.315 8.837) 13.466 9.161 ( 3.568 -4.069 -7.533) 9.275 9.850 ( 4.857 2.900 3.991) 6.923 10.039 ( 7.920 1.589 -0.636) 8.103 11.689 ( 20.716 -0.587 2.846) 20.919 12.409 ( -3.506 -9.432 5.044) 11.256 12.861 ( -8.521 5.676 -1.158) 10.304 13.155 ( -11.170 -3.643 -2.389) 11.990 13.976 ( -0.404 3.537 0.629) 3.615 14.467 ( -5.584 4.844 -13.033) 14.983 14.923 ( -11.789 -6.052 9.490) 16.299 15.144 ( -1.725 -2.280 -3.641) 4.630 16.406 ( 17.604 0.570 5.454) 18.438 17.063 ( 0.037 6.539 -5.925) 8.824 17.402 ( 0.284 -3.197 3.731) 4.921 17.539 ( 0.633 -0.322 -0.223) 0.744 ======================= Grid point 186 (74/146) ======================= q-point: (-0.27 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 2.120 -3.802 1.939) 4.765 2.836 ( -6.295 -2.152 -4.081) 7.804 2.996 ( 0.118 -8.468 2.484) 8.826 3.272 ( -11.406 -0.737 -4.935) 12.450 3.499 ( 6.893 -1.277 -1.697) 7.213 3.581 ( -9.234 4.045 2.647) 10.423 4.248 ( 5.877 15.046 12.371) 20.346 4.500 ( 13.941 8.739 -7.154) 17.942 5.980 ( 14.450 -7.969 2.143) 16.640 6.214 ( 12.696 -2.362 0.279) 12.917 6.606 ( -9.042 -1.306 0.748) 9.166 6.914 ( -17.200 0.984 -3.494) 17.579 7.914 ( -10.400 -3.633 2.993) 11.416 8.099 ( -5.995 -5.211 -10.495) 13.162 8.899 ( -9.465 2.228 12.607) 15.922 9.139 ( 6.465 -4.602 -11.464) 13.943 10.009 ( 5.897 3.860 7.200) 10.075 10.185 ( 6.760 4.160 -2.398) 8.292 12.030 ( 19.504 -3.652 1.810) 19.925 12.300 ( -6.461 -1.797 2.740) 7.244 12.738 ( -6.418 -2.439 -1.760) 7.088 12.890 ( -13.226 -0.394 -4.304) 13.914 13.989 ( -0.948 -1.663 4.185) 4.602 14.324 ( -7.488 2.588 -12.102) 14.465 14.799 ( -4.859 -4.226 10.824) 12.595 15.065 ( -1.786 -1.150 -6.303) 6.651 16.713 ( 14.313 0.816 5.959) 15.526 17.086 ( -1.240 7.740 -5.875) 9.796 17.407 ( 0.787 -2.965 4.656) 5.575 17.539 ( 0.019 0.136 -1.589) 1.595 ======================= Grid point 187 (75/146) ======================= q-point: (-0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( -7.008 0.777 2.731) 7.561 2.704 ( 0.697 -4.921 -3.758) 6.231 2.983 ( -0.797 -4.052 2.437) 4.795 3.034 ( -7.171 -2.280 -2.339) 7.880 3.511 ( -4.473 4.234 4.400) 7.569 3.620 ( 11.211 -6.292 -6.888) 14.585 4.626 ( 7.491 21.777 12.508) 26.207 4.811 ( 16.629 11.796 -6.492) 21.397 6.118 ( 10.706 -9.914 1.178) 14.639 6.173 ( -19.458 4.965 -4.540) 20.588 6.520 ( 5.016 -9.872 7.541) 13.397 6.657 ( -9.305 -1.681 -6.410) 11.424 7.748 ( -7.762 -4.337 5.240) 10.320 7.888 ( -4.605 -6.875 -9.344) 12.482 8.867 ( -8.598 4.107 14.802) 17.604 9.138 ( 7.231 -4.121 -13.178) 15.586 10.193 ( 6.759 3.247 6.410) 9.865 10.294 ( 2.631 5.815 -3.938) 7.499 12.176 ( -10.475 2.223 2.450) 10.984 12.228 ( 9.979 -6.233 -2.936) 12.126 12.657 ( 2.299 -4.593 2.316) 5.635 12.711 ( -8.515 4.899 -3.206) 10.334 13.969 ( -0.510 -6.187 5.929) 8.584 14.118 ( -8.206 -3.600 -9.356) 12.955 14.799 ( -1.019 -1.035 10.979) 11.075 14.993 ( -0.036 -0.472 -8.993) 9.005 16.964 ( 10.285 1.182 6.418) 12.181 17.094 ( -2.255 8.358 -6.817) 11.019 17.428 ( 0.636 -2.243 5.579) 6.046 17.517 ( -0.786 -0.108 -3.656) 3.742 ======================= Grid point 188 (76/146) ======================= q-point: (-0.09 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( -13.339 5.576 3.873) 14.968 2.738 ( 6.418 -3.378 0.814) 7.298 2.778 ( -16.161 4.028 0.466) 16.662 3.106 ( 14.097 -8.917 0.450) 16.687 3.515 ( 0.211 0.925 -0.046) 0.950 3.695 ( 11.205 -7.758 -6.722) 15.196 4.991 ( 2.645 21.246 4.036) 21.788 5.176 ( 16.686 13.762 -5.031) 22.206 5.771 ( -29.055 8.232 4.146) 30.482 6.233 ( 7.631 -4.681 2.232) 9.226 6.459 ( -1.077 -12.114 -3.639) 12.695 6.541 ( 2.115 -9.080 -0.616) 9.343 7.653 ( -3.526 -4.818 8.486) 10.375 7.720 ( -1.742 -7.164 -4.771) 8.782 8.875 ( -7.404 5.202 15.534) 17.977 9.116 ( 4.704 -3.814 -14.209) 15.446 10.323 ( -1.144 5.273 -6.850) 8.720 10.367 ( 6.026 2.982 5.368) 8.603 12.053 ( -10.502 6.154 5.628) 13.411 12.292 ( 7.619 -4.412 -6.240) 10.791 12.626 ( -3.590 3.363 2.725) 5.623 12.699 ( 0.798 -3.572 1.886) 4.117 13.893 ( -6.821 -5.523 -5.480) 10.347 13.940 ( 0.998 -8.724 5.944) 10.604 14.861 ( 0.536 1.225 6.673) 6.805 14.952 ( 3.673 -2.625 -6.814) 8.174 17.084 ( -2.730 9.481 -7.586) 12.446 17.160 ( 6.616 0.606 6.648) 9.399 17.435 ( -2.527 0.300 -0.762) 2.657 17.476 ( 0.679 -2.744 0.064) 2.827 ======================= Grid point 195 (77/146) ======================= q-point: ( 0.55 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( -0.000 -1.312 4.679) 4.859 3.110 ( -0.000 1.067 1.001) 1.463 3.116 ( 0.000 2.583 -3.959) 4.727 3.237 ( -0.000 -10.367 2.857) 10.754 3.533 ( 0.000 2.889 -6.553) 7.162 3.979 ( -0.000 -0.380 5.567) 5.580 4.038 ( 0.000 11.735 -10.774) 15.930 4.476 ( -0.000 -2.070 4.772) 5.201 5.352 ( -0.000 6.007 7.170) 9.354 5.620 ( -0.000 -20.177 6.657) 21.247 6.807 ( 0.000 5.798 -5.717) 8.142 7.396 ( 0.000 2.634 -2.091) 3.363 8.294 ( -0.000 -2.915 2.319) 3.725 8.428 ( 0.000 -0.361 -7.965) 7.974 9.100 ( 0.000 -5.000 -10.215) 11.373 9.232 ( -0.000 -4.154 8.790) 9.722 9.660 ( 0.000 9.270 -2.571) 9.620 9.950 ( -0.000 -4.419 9.057) 10.078 11.278 ( -0.000 1.741 1.716) 2.445 12.454 ( -0.000 -12.830 7.429) 14.825 13.025 ( 0.000 5.098 -1.286) 5.257 13.363 ( 0.000 -0.518 -0.898) 1.037 13.975 ( 0.000 6.827 -4.223) 8.027 14.561 ( 0.000 0.240 -9.962) 9.965 15.123 ( 0.000 -0.410 -9.822) 9.831 15.369 ( -0.000 -4.788 5.775) 7.501 15.922 ( -0.000 -0.325 10.682) 10.687 17.061 ( 0.000 6.315 -3.864) 7.404 17.396 ( -0.000 -3.454 2.694) 4.380 17.524 ( -0.000 -0.455 0.975) 1.076 ======================= Grid point 196 (78/146) ======================= q-point: (-0.36 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 2.729 -4.368 3.137) 6.030 3.039 ( -4.509 -1.984 -3.792) 6.216 3.075 ( -3.125 -12.915 -2.513) 13.524 3.172 ( 4.749 -0.204 -5.247) 7.079 3.543 ( -2.336 8.069 -1.467) 8.528 4.090 ( -2.107 9.890 8.557) 13.247 4.122 ( 3.159 12.468 -3.413) 13.307 4.350 ( -15.164 1.911 9.945) 18.234 5.534 ( 9.268 -11.279 1.384) 14.664 5.605 ( 18.424 -7.080 5.354) 20.451 6.801 ( -2.896 4.568 -4.619) 7.113 7.347 ( -6.161 0.524 -2.844) 6.806 8.221 ( -6.197 -3.315 0.784) 7.072 8.311 ( -5.367 -2.010 -11.859) 13.171 8.968 ( 3.349 -7.993 -16.461) 18.602 9.194 ( -7.871 -0.438 11.110) 13.623 9.809 ( 8.057 6.824 -0.831) 10.591 10.005 ( 0.999 0.308 11.647) 11.694 11.416 ( 12.868 -0.075 2.890) 13.188 12.393 ( -0.877 -6.796 5.654) 8.884 12.973 ( -4.700 -3.564 -4.388) 7.351 13.276 ( -7.597 -1.011 -3.680) 8.502 14.006 ( 0.140 3.082 -1.733) 3.539 14.500 ( -2.356 4.700 -11.833) 12.949 15.027 ( -4.791 -0.871 -8.593) 9.876 15.224 ( -9.854 -4.396 5.016) 11.900 16.163 ( 16.347 -0.248 10.573) 19.470 17.109 ( -0.198 7.322 -1.708) 7.521 17.383 ( 0.341 -3.315 2.652) 4.258 17.531 ( 0.373 -0.193 0.790) 0.895 ======================= Grid point 197 (79/146) ======================= q-point: (-0.27 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 3.715 -8.085 -0.726) 8.927 2.844 ( -2.159 -14.646 -3.544) 15.223 2.932 ( -4.113 -2.076 -4.987) 6.789 3.220 ( 3.542 1.570 -5.528) 6.751 3.569 ( -5.649 9.265 1.482) 10.952 3.980 ( -21.240 6.643 9.730) 24.289 4.335 ( 10.133 11.143 -3.272) 15.412 4.450 ( 2.941 17.439 15.988) 23.841 5.573 ( 16.779 -22.083 -1.473) 27.774 5.932 ( 18.216 -0.071 2.290) 18.359 6.740 ( -6.063 3.188 -2.854) 7.421 7.159 ( -13.630 -1.608 -3.476) 14.158 8.055 ( -9.243 -3.810 -0.542) 10.012 8.084 ( -7.509 -4.336 -13.825) 16.319 8.884 ( 7.378 -6.689 -16.158) 18.980 9.137 ( -8.021 0.993 12.730) 15.079 10.006 ( 6.836 6.078 2.931) 9.605 10.125 ( 4.321 2.894 7.434) 9.072 11.687 ( 18.289 -3.480 2.440) 18.776 12.368 ( -1.776 0.228 3.547) 3.973 12.774 ( -6.722 -9.660 -5.507) 12.994 13.078 ( -11.557 1.059 -6.301) 13.206 14.009 ( -0.936 -1.786 2.072) 2.892 14.388 ( -6.685 2.925 -14.284) 16.040 14.883 ( -5.348 -2.093 1.101) 5.848 15.098 ( -5.295 -0.228 -0.835) 5.365 16.506 ( 16.640 0.500 9.402) 19.119 17.162 ( -1.393 8.152 -1.906) 8.487 17.379 ( 1.286 -3.800 3.185) 5.122 17.538 ( -0.036 0.268 -0.044) 0.274 ======================= Grid point 198 (80/146) ======================= q-point: (-0.18 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 4.538 -11.309 -5.170) 13.237 2.742 ( 6.944 -12.651 -0.812) 14.454 2.822 ( -5.320 1.195 -3.547) 6.505 3.224 ( -3.962 4.479 -4.322) 7.378 3.535 ( -7.061 5.120 2.084) 8.968 3.802 ( -15.511 7.101 10.256) 19.904 4.631 ( 14.625 12.682 -4.245) 19.818 4.818 ( 5.484 22.192 14.388) 27.010 5.651 ( 20.515 -23.107 -2.971) 31.042 6.184 ( 11.744 -1.355 -1.206) 11.884 6.626 ( -10.136 1.780 1.350) 10.379 6.842 ( -17.748 -3.510 -4.205) 18.574 7.840 ( -5.279 -5.524 -13.185) 15.239 7.866 ( -8.900 -4.501 1.676) 10.113 8.869 ( 8.946 -4.858 -15.617) 18.642 9.111 ( -6.610 1.547 13.696) 15.286 10.175 ( 4.213 4.106 7.200) 9.297 10.278 ( 5.252 5.673 0.179) 7.733 11.929 ( 15.303 -6.887 -0.805) 16.800 12.361 ( -5.909 3.778 2.690) 7.511 12.588 ( 0.061 -5.301 -2.949) 6.066 12.861 ( -9.690 -0.262 -6.891) 11.894 13.965 ( -2.121 -6.414 4.944) 8.372 14.171 ( -9.090 -2.088 -11.554) 14.849 14.845 ( -0.580 0.202 2.804) 2.870 15.012 ( -5.125 1.977 -2.390) 5.991 16.823 ( 13.540 1.575 8.631) 16.134 17.181 ( -2.990 7.441 -4.356) 9.126 17.401 ( 2.563 -3.346 4.193) 5.946 17.525 ( -1.490 0.254 -1.452) 2.096 ======================= Grid point 207 (81/146) ======================= q-point: (-0.36 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -0.000 -8.786 0.900) 8.832 2.919 ( 0.000 -17.125 -6.686) 18.383 3.012 ( 0.000 -2.901 -6.285) 6.922 3.164 ( 0.000 6.886 -0.808) 6.933 3.657 ( 0.000 12.575 -0.063) 12.575 4.155 ( 0.000 10.957 -5.751) 12.375 4.314 ( -0.000 12.579 19.325) 23.058 4.653 ( -0.000 8.560 12.381) 15.051 5.197 ( -0.000 -28.246 -0.513) 28.251 5.483 ( -0.000 3.057 0.780) 3.155 6.839 ( 0.000 3.786 -3.727) 5.313 7.370 ( 0.000 -1.682 -3.587) 3.961 8.225 ( 0.000 -3.477 -7.918) 8.648 8.283 ( 0.000 -1.612 -6.897) 7.083 8.721 ( 0.000 -10.414 -20.903) 23.354 9.356 ( -0.000 1.068 13.817) 13.858 9.749 ( 0.000 2.410 -3.116) 3.939 10.108 ( -0.000 3.868 13.449) 13.994 11.327 ( -0.000 -0.758 4.055) 4.125 12.394 ( -0.000 -0.696 4.405) 4.460 12.894 ( 0.000 -12.535 -7.044) 14.379 13.309 ( 0.000 -1.113 -4.338) 4.478 14.013 ( 0.000 1.799 -2.619) 3.178 14.490 ( 0.000 5.318 -13.455) 14.468 15.012 ( 0.000 3.070 -11.551) 11.952 15.304 ( -0.000 -5.170 2.756) 5.859 16.089 ( -0.000 -0.087 15.832) 15.832 17.180 ( -0.000 7.294 1.030) 7.367 17.366 ( -0.000 -2.853 1.983) 3.475 17.530 ( -0.000 -0.434 1.046) 1.133 ======================= Grid point 208 (82/146) ======================= q-point: (-0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 2.622 -13.016 -3.052) 13.624 2.679 ( -1.988 -18.981 -7.087) 20.358 2.944 ( -2.285 0.847 -5.564) 6.074 3.245 ( -0.342 9.388 1.086) 9.457 3.766 ( -3.480 14.436 0.634) 14.863 4.267 ( 5.450 6.234 -1.645) 8.442 4.437 ( -14.889 7.576 13.913) 21.741 4.734 ( -3.225 15.770 16.153) 22.804 5.058 ( 13.158 -25.130 -2.885) 28.513 5.664 ( 15.665 1.873 0.287) 15.780 6.826 ( -2.942 2.832 -2.316) 4.695 7.270 ( -6.093 -3.995 -4.275) 8.447 8.057 ( -6.385 -3.334 -17.303) 18.742 8.162 ( -7.530 -3.701 -2.123) 8.655 8.573 ( 8.173 -8.144 -18.807) 22.064 9.353 ( -8.716 -0.250 12.498) 15.239 9.877 ( 12.765 1.839 -0.378) 12.902 10.219 ( -1.467 5.397 11.044) 12.380 11.431 ( 10.560 -3.226 4.006) 11.746 12.436 ( -0.832 6.119 2.766) 6.766 12.683 ( -2.138 -15.977 -7.838) 17.924 13.192 ( -7.677 -2.664 -6.334) 10.303 14.009 ( -0.103 -0.971 -0.499) 1.096 14.409 ( -3.962 2.723 -16.188) 16.886 14.947 ( -3.271 3.683 -8.707) 10.004 15.212 ( -7.400 -1.182 4.716) 8.854 16.323 ( 13.743 0.661 14.197) 19.770 17.254 ( -0.654 7.324 1.462) 7.497 17.347 ( -0.097 -3.453 1.612) 3.812 17.536 ( 0.486 -0.431 0.611) 0.892 ======================= Grid point 209 (83/146) ======================= q-point: (-0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 3.237 -16.110 -7.654) 18.127 2.479 ( 4.974 -17.882 -3.713) 18.929 2.884 ( -3.783 3.668 -4.238) 6.762 3.330 ( -2.530 11.396 1.277) 11.743 3.795 ( -9.544 11.988 1.110) 15.364 4.204 ( -15.260 -1.606 12.495) 19.788 4.523 ( 8.043 12.478 -1.610) 14.933 4.943 ( 12.615 -8.221 -0.988) 15.090 5.154 ( 9.543 5.392 11.355) 15.782 5.935 ( 15.226 -1.287 -0.599) 15.292 6.767 ( -5.659 1.514 -0.655) 5.894 7.037 ( -12.878 -5.536 -4.517) 14.728 7.794 ( -6.357 -4.090 -16.794) 18.417 7.973 ( -8.791 -4.435 -1.250) 9.925 8.562 ( 10.313 -4.640 -16.688) 20.159 9.286 ( -5.982 -2.746 11.707) 13.430 10.129 ( 12.605 4.238 0.501) 13.307 10.302 ( -1.484 4.697 8.494) 9.819 11.618 ( 14.154 -5.919 1.370) 15.403 12.468 ( -0.942 -12.693 -3.964) 13.331 12.513 ( -0.984 10.276 -0.710) 10.347 12.950 ( -10.531 -5.321 -7.616) 14.044 13.972 ( -2.080 -4.957 3.110) 6.210 14.216 ( -7.640 -1.328 -13.767) 15.801 14.893 ( -2.624 5.143 -6.329) 8.567 15.135 ( -6.435 2.402 5.173) 8.599 16.665 ( 15.151 2.231 11.605) 19.214 17.272 ( -3.785 3.805 -3.338) 6.320 17.356 ( 2.455 -1.364 4.340) 5.170 17.536 ( -0.404 -0.575 -0.322) 0.773 ======================= Grid point 219 (84/146) ======================= q-point: (-0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 0.000 -17.111 -5.665) 18.024 2.452 ( 0.000 -21.581 -8.903) 23.346 2.969 ( 0.000 6.009 -3.805) 7.112 3.373 ( -0.000 11.869 3.930) 12.503 3.953 ( 0.000 17.453 -0.350) 17.456 4.217 ( -0.000 -11.186 0.783) 11.213 4.609 ( 0.000 -17.017 -8.468) 19.007 4.757 ( -0.000 6.183 20.157) 21.084 5.103 ( -0.000 18.850 16.209) 24.861 5.517 ( 0.000 2.208 -3.013) 3.735 6.864 ( 0.000 2.283 -1.030) 2.505 7.239 ( 0.000 -6.513 -5.272) 8.379 7.986 ( 0.000 -1.059 -19.425) 19.454 8.202 ( 0.000 -2.912 -1.771) 3.408 8.262 ( 0.000 -9.581 -19.981) 22.160 9.562 ( -0.000 0.190 15.295) 15.297 9.681 ( 0.000 -5.227 -3.829) 6.480 10.363 ( -0.000 8.071 8.336) 11.603 11.338 ( -0.000 -4.264 5.041) 6.603 12.468 ( 0.000 -19.958 -8.744) 21.789 12.550 ( -0.000 12.618 2.267) 12.820 13.182 ( 0.000 -5.473 -6.575) 8.555 13.996 ( 0.000 -0.286 -1.558) 1.584 14.359 ( 0.000 1.643 -17.743) 17.819 14.945 ( 0.000 2.921 -8.748) 9.223 15.324 ( -0.000 3.339 4.004) 5.213 16.304 ( -0.000 0.728 17.237) 17.252 17.308 ( -0.000 -2.582 4.528) 5.212 17.359 ( 0.000 5.763 -0.939) 5.839 17.524 ( -0.000 -1.338 0.264) 1.364 ======================= Grid point 220 (85/146) ======================= q-point: (-0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 2.107 -19.872 -8.860) 21.860 2.192 ( 2.337 -22.804 -7.065) 23.988 2.994 ( -3.887 9.487 -2.249) 10.496 3.497 ( -0.820 10.209 3.132) 10.711 4.039 ( 0.913 -12.460 0.313) 12.497 4.078 ( 2.210 -4.002 -0.816) 4.644 4.608 ( 8.538 3.992 -5.973) 11.159 4.780 ( -14.267 5.969 13.403) 20.464 5.380 ( 0.731 19.791 17.459) 26.401 5.672 ( 14.189 0.305 -2.077) 14.343 6.851 ( -3.719 0.845 -0.162) 3.817 7.087 ( -5.005 -7.982 -6.011) 11.175 7.768 ( -7.631 -1.615 -19.358) 20.870 8.036 ( -5.021 -4.513 -5.653) 8.805 8.249 ( 9.720 -3.872 -13.160) 16.812 9.417 ( -8.954 -7.304 6.648) 13.331 9.891 ( 17.214 -1.707 2.935) 17.546 10.462 ( -3.158 8.613 6.484) 11.234 11.392 ( 8.080 -5.569 3.546) 10.434 12.238 ( 2.536 -19.674 -7.503) 21.208 12.690 ( -2.257 17.089 1.425) 17.296 13.003 ( -7.973 -7.301 -7.637) 13.237 13.977 ( -1.141 -1.942 0.799) 2.390 14.220 ( -4.568 -0.350 -15.152) 15.829 14.915 ( -0.551 2.613 -6.989) 7.482 15.331 ( -6.985 6.777 4.757) 10.833 16.534 ( 12.159 2.075 14.981) 19.406 17.286 ( -0.636 -4.395 0.488) 4.467 17.400 ( -1.846 5.203 1.608) 5.750 17.520 ( 0.920 -1.219 -0.625) 1.650 ======================= Grid point 231 (86/146) ======================= q-point: (-0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 0.000 -22.774 -9.475) 24.667 1.884 ( 0.000 -26.066 -8.974) 27.567 3.132 ( 0.000 13.121 -0.918) 13.153 3.350 ( 0.000 -38.424 -6.018) 38.892 3.851 ( -0.000 4.942 8.870) 10.154 4.267 ( 0.000 17.498 -4.075) 17.966 4.580 ( 0.000 8.233 -3.021) 8.770 5.067 ( -0.000 1.149 18.735) 18.771 5.494 ( 0.000 0.971 -5.759) 5.840 5.675 ( -0.000 18.601 15.193) 24.017 6.905 ( -0.000 1.723 1.427) 2.237 6.983 ( 0.000 -11.101 -8.664) 14.082 7.747 ( 0.000 3.716 -21.796) 22.110 7.903 ( 0.000 -5.245 -13.250) 14.250 8.119 ( 0.000 -3.922 -0.776) 3.998 9.448 ( 0.000 -11.839 -7.177) 13.845 9.706 ( -0.000 -4.434 13.360) 14.076 10.618 ( -0.000 10.339 4.091) 11.119 11.297 ( -0.000 -5.931 4.448) 7.413 11.966 ( 0.000 -21.409 -7.038) 22.536 12.910 ( 0.000 21.415 2.001) 21.509 12.946 ( 0.000 -8.520 -8.629) 12.127 13.985 ( -0.000 0.454 0.292) 0.540 14.166 ( 0.000 0.280 -13.920) 13.923 14.889 ( 0.000 -0.393 -4.705) 4.721 15.498 ( -0.000 9.356 2.616) 9.715 16.541 ( -0.000 1.778 16.703) 16.797 17.252 ( -0.000 -5.027 1.143) 5.156 17.474 ( 0.000 -3.237 -1.830) 3.719 17.487 ( -0.000 5.673 0.810) 5.731 ======================= Grid point 268 (87/146) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -0.000 -0.000 28.686) 28.686 1.087 ( -0.000 -0.000 28.686) 28.686 1.961 ( -0.000 -0.000 47.291) 47.291 3.563 ( 0.000 0.000 -5.734) 5.734 4.407 ( 0.000 0.000 -18.721) 18.721 4.407 ( 0.000 0.000 -18.721) 18.721 4.555 ( 0.000 0.000 -5.148) 5.148 5.434 ( -0.000 0.000 10.574) 10.574 5.434 ( -0.000 -0.000 10.574) 10.574 6.399 ( -0.000 0.000 -1.350) 1.350 6.399 ( 0.000 -0.000 -1.350) 1.350 6.762 ( 0.000 0.000 -11.095) 11.095 7.987 ( -0.000 -0.000 7.072) 7.072 7.987 ( -0.000 -0.000 7.072) 7.072 8.822 ( -0.000 0.000 6.432) 6.432 8.822 ( -0.000 -0.000 6.432) 6.432 10.883 ( 0.000 0.000 -0.189) 0.189 11.039 ( 0.000 0.000 -0.772) 0.772 11.180 ( -0.000 0.000 2.927) 2.927 11.180 ( -0.000 -0.000 2.927) 2.927 12.470 ( 0.000 0.000 -4.445) 4.445 12.470 ( 0.000 -0.000 -4.445) 4.445 14.326 ( -0.000 -0.000 15.327) 15.327 14.326 ( -0.000 -0.000 15.327) 15.327 14.701 ( -0.000 -0.000 7.108) 7.108 15.826 ( 0.000 0.000 -5.181) 5.181 16.867 ( 0.000 0.000 -9.386) 9.386 16.867 ( 0.000 0.000 -9.386) 9.386 17.335 ( -0.000 -0.000 5.651) 5.651 17.644 ( 0.000 0.000 -0.328) 0.328 ======================= Grid point 269 (88/146) ======================= q-point: ( 0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 8.000 4.619 24.083) 25.794 1.433 ( 9.612 5.550 26.299) 28.545 2.488 ( 21.455 12.387 37.384) 44.848 3.461 ( -6.028 -3.480 -5.384) 8.800 4.060 ( -9.824 -5.672 -18.573) 21.763 4.374 ( -1.536 -0.887 -11.690) 11.824 4.625 ( 8.528 4.924 -11.101) 14.839 5.142 ( -17.979 -10.380 8.408) 22.399 5.788 ( 11.980 6.917 12.308) 18.516 6.162 ( -9.742 -5.624 -6.569) 13.027 6.499 ( -0.708 -0.409 -2.166) 2.315 6.746 ( 5.037 2.908 -8.484) 10.286 7.993 ( -2.471 -1.427 12.791) 13.105 8.081 ( 1.178 0.680 7.705) 7.824 8.694 ( -4.728 -2.730 3.605) 6.542 9.005 ( 2.445 1.411 9.475) 9.886 10.508 ( -16.732 -9.660 9.590) 21.569 10.850 ( -11.161 -6.444 -4.336) 13.597 11.341 ( 11.274 6.509 4.784) 13.869 11.393 ( 9.907 5.720 6.601) 13.207 12.312 ( -4.373 -2.525 -8.437) 9.833 12.969 ( 28.109 16.229 -14.462) 35.534 14.213 ( -16.561 -9.562 15.903) 24.872 14.319 ( -5.431 -3.135 15.389) 16.617 14.942 ( 10.299 5.946 11.877) 16.807 15.704 ( -7.897 -4.559 -7.011) 11.502 16.783 ( 1.211 0.699 -11.692) 11.775 16.811 ( -0.072 -0.041 -8.958) 8.959 17.387 ( 0.753 0.435 5.820) 5.885 17.631 ( -0.974 -0.562 -0.111) 1.130 ======================= Grid point 270 (89/146) ======================= q-point: ( 0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 12.714 7.340 17.235) 22.640 1.802 ( 10.221 5.901 22.087) 25.043 3.234 ( 26.609 15.363 20.335) 36.846 3.256 ( -9.050 -5.225 -3.115) 10.904 3.762 ( -7.267 -4.196 -16.932) 18.898 4.261 ( -3.518 -2.031 -5.999) 7.245 4.706 ( -6.200 -3.580 -4.534) 8.474 4.820 ( -2.925 -1.689 0.930) 3.503 5.903 ( -8.118 -4.687 -11.718) 15.006 6.092 ( 7.641 4.411 10.460) 13.684 6.415 ( -2.608 -1.506 -2.428) 3.868 6.803 ( 1.841 1.063 -3.745) 4.306 8.038 ( -2.532 -1.462 17.855) 18.093 8.101 ( -4.671 -2.697 9.717) 11.114 8.670 ( 1.733 1.000 -1.490) 2.495 9.068 ( -2.111 -1.219 12.879) 13.108 10.402 ( 0.745 0.430 4.151) 4.239 10.550 ( -12.115 -6.995 -8.332) 16.282 11.681 ( 15.636 9.028 6.201) 19.090 11.683 ( 11.600 6.697 9.966) 16.696 12.174 ( -2.460 -1.420 -10.533) 10.909 13.338 ( 12.999 7.505 -11.246) 18.755 13.931 ( -16.971 -9.798 16.431) 25.573 14.282 ( -6.455 -3.727 15.058) 16.802 15.194 ( 4.816 2.780 14.303) 15.345 15.400 ( -14.157 -8.173 -11.022) 19.716 16.770 ( 4.144 2.392 -12.456) 13.344 16.798 ( 4.474 2.583 -10.434) 11.643 17.434 ( 0.217 0.125 5.773) 5.778 17.606 ( -1.318 -0.761 0.404) 1.574 ======================= Grid point 271 (90/146) ======================= q-point: ( 0.45 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 13.733 7.929 11.441) 19.554 2.160 ( 11.233 6.486 17.138) 21.494 3.077 ( -6.075 -3.508 1.732) 7.226 3.519 ( -5.954 -3.438 -14.483) 16.032 3.713 ( 7.339 4.237 -2.040) 8.717 4.091 ( -14.556 -8.404 0.774) 16.825 4.481 ( 1.207 0.697 -0.879) 1.648 5.043 ( 15.981 9.226 3.229) 18.733 5.682 ( -3.838 -2.216 -15.140) 15.775 6.118 ( -5.163 -2.981 -4.247) 7.320 6.490 ( 3.605 2.081 9.669) 10.527 6.763 ( -3.064 -1.769 0.554) 3.581 8.011 ( -8.559 -4.941 10.041) 14.089 8.083 ( -4.508 -2.603 19.716) 20.392 8.717 ( 3.607 2.082 -5.806) 7.145 9.115 ( -0.250 -0.144 12.767) 12.771 10.242 ( -9.677 -5.587 -10.798) 15.539 10.489 ( 4.943 2.854 -1.994) 6.046 11.944 ( 2.638 1.523 -11.054) 11.466 12.015 ( 12.075 6.971 11.926) 18.347 12.198 ( 11.841 6.837 6.134) 14.986 13.405 ( -4.155 -2.399 1.111) 4.925 13.741 ( -6.682 -3.858 11.265) 13.654 14.228 ( -6.762 -3.904 14.349) 16.336 14.978 ( -15.623 -9.020 -15.407) 23.724 15.329 ( -0.490 -0.283 13.849) 13.860 16.795 ( 5.022 2.899 -12.859) 14.106 16.867 ( 7.459 4.307 -10.511) 13.589 17.466 ( -0.348 -0.201 4.843) 4.860 17.581 ( -1.308 -0.755 0.993) 1.808 ======================= Grid point 272 (91/146) ======================= q-point: ( 0.55 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 13.993 8.079 7.317) 17.738 2.501 ( 10.921 6.305 12.536) 17.782 2.985 ( -6.373 -3.679 3.973) 8.362 3.364 ( 0.698 0.403 -8.144) 8.184 3.563 ( -17.822 -10.289 -0.386) 20.582 3.734 ( -11.231 -6.484 -4.364) 13.683 4.667 ( 14.311 8.263 -12.569) 20.763 5.401 ( 8.276 4.778 -14.367) 17.255 5.664 ( 13.269 7.661 8.701) 17.620 5.944 ( -6.971 -4.025 -5.408) 9.698 6.380 ( -14.940 -8.626 -2.437) 17.423 6.848 ( 4.669 2.696 14.439) 15.412 7.869 ( -9.602 -5.544 9.470) 14.581 8.076 ( -7.106 -4.103 19.099) 20.787 8.718 ( 0.086 0.050 -8.974) 8.974 9.227 ( 3.419 1.974 11.425) 12.088 10.025 ( -2.885 -1.666 -12.002) 12.456 10.549 ( 2.008 1.159 -4.772) 5.305 11.842 ( -1.568 -0.905 -15.298) 15.405 12.347 ( 10.864 6.272 12.501) 17.710 12.532 ( 9.958 5.749 9.304) 14.792 13.241 ( -11.945 -6.897 9.980) 17.025 13.750 ( 0.790 0.456 7.153) 7.211 14.144 ( -9.033 -5.215 9.799) 14.312 14.602 ( -7.408 -4.277 -13.975) 16.385 15.355 ( -4.120 -2.379 11.758) 12.684 16.817 ( 4.254 2.456 -13.661) 14.518 16.981 ( 8.188 4.727 -8.642) 12.809 17.476 ( -1.145 -0.661 3.484) 3.727 17.562 ( -1.092 -0.631 1.428) 1.905 ======================= Grid point 273 (92/146) ======================= q-point: (-0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 4.972 2.870 7.490) 9.437 2.774 ( -4.475 -2.583 -0.423) 5.184 2.789 ( 6.709 3.873 4.906) 9.170 3.132 ( -19.397 -11.199 2.636) 22.553 3.497 ( 11.383 6.572 3.005) 13.483 3.547 ( -2.754 -1.590 -3.327) 4.603 4.902 ( 15.772 9.106 -17.373) 25.169 5.343 ( 2.410 1.392 -23.719) 23.882 5.762 ( -6.635 -3.831 -4.416) 8.843 5.909 ( -25.311 -14.614 -3.820) 29.476 6.158 ( 18.397 10.622 14.834) 25.910 7.025 ( 2.381 1.375 14.601) 14.858 7.722 ( -8.966 -5.177 10.012) 14.402 8.022 ( -7.968 -4.600 17.842) 20.075 8.602 ( -4.766 -2.752 -10.206) 11.595 9.392 ( 5.020 2.899 9.927) 11.495 9.966 ( 3.949 2.280 -13.683) 14.423 10.520 ( -1.429 -0.825 -4.862) 5.134 11.713 ( -1.787 -1.032 -13.669) 13.824 12.616 ( 5.546 3.202 10.817) 12.570 12.676 ( -0.875 -0.505 3.585) 3.724 13.047 ( -10.902 -6.295 11.420) 16.997 13.837 ( 2.306 1.331 8.772) 9.168 13.962 ( -7.827 -4.519 0.993) 9.092 14.538 ( 4.326 2.498 -1.999) 5.380 15.317 ( -4.536 -2.619 8.839) 10.274 16.803 ( 2.501 1.444 -14.965) 15.241 17.112 ( 7.772 4.487 -6.075) 10.837 17.459 ( -2.048 -1.183 2.185) 3.220 17.550 ( -0.894 -0.516 1.581) 1.888 ======================= Grid point 274 (93/146) ======================= q-point: (-0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( -16.102 -9.296 1.285) 18.637 2.705 ( -15.880 -9.168 3.725) 18.711 2.851 ( -2.873 -1.659 2.866) 4.384 3.136 ( 15.193 8.772 0.563) 17.552 3.630 ( 9.940 5.739 1.382) 11.561 3.837 ( 15.381 8.880 7.841) 19.414 5.144 ( 16.352 9.441 -20.008) 27.511 5.242 ( -32.937 -19.016 -2.771) 38.133 5.253 ( 2.776 1.603 -21.274) 21.514 5.606 ( -5.255 -3.034 -3.235) 6.876 6.579 ( 12.578 7.262 9.259) 17.224 7.118 ( -1.818 -1.050 12.498) 12.673 7.618 ( -6.589 -3.804 12.908) 14.983 7.962 ( -7.064 -4.078 16.774) 18.652 8.413 ( -6.339 -3.660 -8.824) 11.464 9.541 ( 2.438 1.408 8.642) 9.089 9.971 ( 3.772 2.178 -16.695) 17.254 10.459 ( -0.623 -0.360 -4.091) 4.154 11.591 ( -2.777 -1.603 -10.306) 10.793 12.604 ( -2.608 -1.506 -4.058) 5.053 12.616 ( -10.880 -6.282 6.299) 14.054 12.985 ( -1.981 -1.144 13.459) 13.652 13.882 ( -1.107 -0.639 3.878) 4.083 13.951 ( 2.205 1.273 11.002) 11.293 14.676 ( 6.650 3.839 2.493) 8.074 15.296 ( -0.774 -0.447 5.004) 5.083 16.739 ( 0.796 0.460 -16.572) 16.598 17.244 ( 6.900 3.984 -3.577) 8.733 17.415 ( -2.811 -1.623 1.010) 3.399 17.538 ( -1.141 -0.659 1.534) 2.022 ======================= Grid point 275 (94/146) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -18.459 -10.657 4.678) 21.822 2.318 ( -20.622 -11.906 5.355) 24.407 2.914 ( 6.502 3.754 2.151) 7.810 3.439 ( 12.270 7.084 -3.269) 14.540 3.921 ( 14.132 8.159 3.007) 16.593 4.174 ( 2.160 1.247 5.150) 5.722 4.505 ( -24.698 -14.260 2.206) 28.604 5.155 ( 2.451 1.415 -21.940) 22.122 5.413 ( 16.588 9.577 -16.532) 25.302 5.501 ( -2.837 -1.638 -0.469) 3.309 6.822 ( 6.067 3.503 3.377) 7.777 7.100 ( -6.242 -3.604 10.478) 12.718 7.612 ( -2.274 -1.313 17.580) 17.775 7.924 ( -5.640 -3.256 15.429) 16.747 8.235 ( -5.446 -3.144 -5.328) 8.242 9.572 ( -4.616 -2.665 7.732) 9.391 9.885 ( -1.702 -0.982 -18.272) 18.377 10.479 ( 5.065 2.924 -3.789) 6.968 11.450 ( -5.064 -2.924 -7.093) 9.192 12.327 ( -17.359 -10.022 5.932) 20.904 12.625 ( 8.541 4.931 -5.237) 11.166 13.011 ( -4.029 -2.326 11.659) 12.553 13.928 ( 1.870 1.080 5.256) 5.683 14.065 ( 1.301 0.751 12.861) 12.948 14.820 ( 4.038 2.332 4.001) 6.145 15.358 ( 4.743 2.738 0.725) 5.524 16.639 ( 0.091 0.053 -17.846) 17.846 17.338 ( -2.192 -1.266 0.506) 2.581 17.379 ( 4.605 2.659 -2.247) 5.773 17.515 ( -1.899 -1.096 1.555) 2.688 ======================= Grid point 280 (95/146) ======================= q-point: ( 0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -0.000 10.029 23.557) 25.603 1.625 ( -0.000 13.879 26.707) 30.098 2.679 ( -0.000 16.768 34.499) 38.359 3.439 ( 0.000 -4.739 -5.226) 7.055 3.908 ( 0.000 -14.007 -18.165) 22.938 4.342 ( 0.000 6.762 -20.956) 22.020 4.528 ( 0.000 1.983 -2.195) 2.958 5.224 ( -0.000 -18.777 8.559) 20.635 5.818 ( -0.000 9.090 12.290) 15.286 6.043 ( 0.000 -20.043 -7.085) 21.258 6.628 ( 0.000 2.516 -13.624) 13.855 6.640 ( 0.000 13.976 0.714) 13.995 8.115 ( -0.000 1.029 8.149) 8.214 8.127 ( -0.000 4.132 14.018) 14.615 8.682 ( -0.000 -10.437 6.447) 12.268 9.114 ( -0.000 12.055 3.036) 12.432 10.436 ( -0.000 -33.067 8.722) 34.198 10.881 ( 0.000 -10.465 -2.936) 10.869 11.198 ( -0.000 -2.091 2.935) 3.603 11.496 ( -0.000 17.980 8.438) 19.862 12.592 ( 0.000 11.906 -5.409) 13.077 12.707 ( 0.000 31.663 -18.956) 36.903 14.152 ( -0.000 -27.011 15.534) 31.159 14.646 ( -0.000 4.454 21.376) 21.835 14.965 ( -0.000 9.258 11.209) 14.538 15.674 ( 0.000 -7.496 -7.261) 10.436 16.560 ( 0.000 -12.989 -11.723) 17.496 16.845 ( 0.000 7.222 -10.386) 12.650 17.432 ( -0.000 2.128 4.753) 5.207 17.626 ( -0.000 -1.637 -0.057) 1.638 ======================= Grid point 281 (96/146) ======================= q-point: ( 0.36 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 4.064 12.770 19.199) 23.413 1.931 ( 1.525 12.091 24.506) 27.369 3.170 ( 15.256 17.505 19.210) 30.136 3.310 ( -5.705 -5.289 -3.049) 8.356 3.659 ( -1.832 -9.746 -16.482) 19.235 4.239 ( -1.551 1.270 -16.017) 16.142 4.611 ( 6.389 3.696 -1.052) 7.456 4.968 ( -13.079 -16.463 7.498) 22.323 5.761 ( -2.155 -21.762 -9.699) 23.923 6.053 ( 8.377 3.153 11.091) 14.252 6.522 ( -5.237 7.342 -9.741) 13.274 6.796 ( 1.247 9.560 -1.469) 9.752 8.163 ( -1.436 -0.083 10.477) 10.575 8.249 ( -3.823 4.661 15.426) 16.562 8.638 ( 0.971 -4.791 3.862) 6.229 9.200 ( -3.656 6.511 4.357) 8.646 10.255 ( 6.761 -21.422 5.421) 23.108 10.625 ( -11.759 -9.976 -6.249) 16.638 11.372 ( 17.739 -4.086 5.059) 18.894 11.774 ( 4.020 18.575 9.014) 21.034 12.433 ( -17.281 20.849 -9.162) 28.588 13.122 ( 16.901 17.802 -14.617) 28.570 13.959 ( -2.812 -27.887 16.249) 32.398 14.656 ( -15.599 6.510 19.789) 26.025 15.211 ( 7.346 3.305 14.600) 16.674 15.450 ( -10.206 -10.231 -9.909) 17.522 16.445 ( 9.666 -11.368 -12.287) 19.329 16.841 ( -1.109 9.108 -11.176) 14.460 17.474 ( -0.293 1.075 4.297) 4.439 17.606 ( -0.186 -2.047 0.288) 2.076 ======================= Grid point 282 (97/146) ======================= q-point: ( 0.45 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 6.112 13.415 14.072) 20.380 2.213 ( 4.159 8.543 20.469) 22.567 3.149 ( -5.523 -3.297 0.758) 6.477 3.437 ( -1.053 -6.196 -14.807) 16.085 3.633 ( 8.922 10.259 -0.903) 13.626 4.135 ( -0.812 -4.327 -8.719) 9.768 4.543 ( -12.651 -9.635 -0.306) 15.905 4.920 ( 11.888 6.239 10.993) 17.352 5.466 ( 1.300 -21.760 -11.766) 24.771 6.178 ( -1.686 2.157 -2.002) 3.391 6.555 ( 3.422 8.095 4.397) 9.827 6.823 ( -5.246 4.794 -1.509) 7.265 8.160 ( -5.938 -3.039 9.349) 11.485 8.279 ( -6.321 0.204 17.711) 18.806 8.680 ( 1.826 3.562 0.040) 4.003 9.202 ( -2.783 -0.112 8.048) 8.517 10.270 ( -0.735 -10.256 -6.870) 12.366 10.308 ( 1.707 -8.320 -4.822) 9.766 11.708 ( 22.435 -5.352 8.211) 24.482 11.985 ( -3.828 14.236 -3.401) 15.129 12.417 ( -5.170 24.753 2.608) 25.422 13.349 ( 5.837 2.839 -6.452) 9.152 13.779 ( -1.476 -19.074 14.631) 24.084 14.568 ( -16.548 6.465 18.088) 25.354 15.043 ( -15.420 -11.584 -14.689) 24.243 15.394 ( 2.289 -1.886 14.142) 14.449 16.491 ( 13.923 -6.095 -11.305) 18.942 16.853 ( 0.458 9.832 -11.968) 15.495 17.495 ( -0.481 -0.724 3.794) 3.893 17.589 ( -0.202 -1.418 0.664) 1.578 ======================= Grid point 283 (98/146) ======================= q-point: ( 0.55 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 6.923 11.528 10.184) 16.869 2.494 ( 7.712 6.417 14.971) 18.021 3.081 ( -5.022 -1.707 5.344) 7.530 3.290 ( 0.990 -1.250 -10.474) 10.595 3.664 ( -4.569 -1.002 -7.944) 9.219 3.866 ( -17.009 -14.569 -0.811) 22.410 4.442 ( 8.926 2.938 -11.707) 15.012 5.126 ( 6.432 -13.999 -14.796) 21.360 5.487 ( 19.163 3.807 16.049) 25.284 6.087 ( -8.307 6.729 -8.387) 13.588 6.620 ( -15.440 5.763 -0.734) 16.497 6.821 ( 7.987 -1.609 10.091) 12.969 8.041 ( -9.760 -4.799 9.051) 14.150 8.277 ( -6.034 -2.985 17.125) 18.401 8.706 ( -2.610 3.797 -3.807) 5.977 9.249 ( 2.620 -0.384 9.231) 9.603 10.001 ( -6.486 -4.731 -10.897) 13.535 10.388 ( 10.275 -5.593 -6.608) 13.436 11.904 ( -9.455 11.176 -11.007) 18.316 12.099 ( 21.038 -4.125 9.216) 23.335 12.678 ( 1.196 19.399 10.025) 21.869 13.296 ( -2.829 -14.173 6.142) 15.704 13.768 ( 2.396 -2.744 8.325) 9.087 14.432 ( -18.693 1.191 8.528) 20.581 14.624 ( -10.074 -4.418 -10.315) 15.080 15.439 ( -1.533 -5.509 10.643) 12.082 16.609 ( 11.267 -1.083 -9.843) 15.000 16.897 ( 3.375 8.435 -11.371) 14.555 17.492 ( -0.574 -2.264 3.025) 3.822 17.580 ( -0.479 -0.456 0.670) 0.941 ======================= Grid point 284 (99/146) ======================= q-point: ( 0.64 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( 8.695 6.873 6.995) 13.106 2.753 ( 7.291 4.881 8.637) 12.312 2.921 ( -10.899 -4.772 1.016) 11.941 3.363 ( -18.936 -11.101 2.709) 22.117 3.414 ( 8.782 7.648 2.241) 11.859 3.544 ( -4.093 -5.592 -5.847) 9.067 4.605 ( 15.046 5.781 -17.013) 23.436 4.971 ( 9.296 -18.819 -18.827) 28.196 5.910 ( -2.745 8.259 -2.103) 8.953 6.014 ( 6.589 4.554 6.013) 10.015 6.306 ( -21.472 4.846 0.623) 22.020 7.013 ( 7.695 -3.234 11.537) 14.240 7.887 ( -9.487 -5.697 10.009) 14.921 8.235 ( -7.401 -4.062 16.233) 18.297 8.615 ( -6.390 -0.278 -5.719) 8.580 9.377 ( 5.486 0.666 7.246) 9.113 9.869 ( 0.512 1.700 -10.979) 11.122 10.427 ( 5.424 -4.087 -7.675) 10.248 11.769 ( -9.776 10.439 -11.731) 18.498 12.438 ( 16.676 -5.395 9.875) 20.117 12.829 ( -5.458 5.670 6.133) 9.977 13.140 ( -4.489 -14.273 9.239) 17.584 13.856 ( 2.482 0.490 8.278) 8.656 14.127 ( -12.662 0.919 -6.043) 14.060 14.546 ( -2.310 3.553 6.133) 7.455 15.389 ( -3.156 -7.048 6.734) 10.246 16.686 ( 4.320 3.398 -11.405) 12.660 16.990 ( 7.264 5.257 -7.821) 11.898 17.472 ( -0.970 -2.793 2.232) 3.704 17.571 ( -0.678 0.016 0.264) 0.728 ======================= Grid point 285 (100/146) ======================= q-point: (-0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( -12.915 -7.301 0.296) 14.839 2.833 ( -3.358 -2.892 5.782) 7.285 2.964 ( -14.505 -8.922 2.896) 17.274 2.996 ( 10.373 6.167 2.393) 12.302 3.526 ( 7.121 2.205 -0.081) 7.455 3.754 ( 13.908 12.583 8.003) 20.392 4.799 ( 15.125 -1.883 -21.095) 26.026 4.871 ( 13.365 -10.156 -15.518) 22.860 5.651 ( -29.143 -4.954 -4.699) 29.932 5.836 ( -14.850 11.339 -5.736) 19.544 6.497 ( 12.608 6.817 10.634) 17.847 7.136 ( 4.002 -5.435 9.648) 11.774 7.763 ( -6.927 -6.204 13.056) 16.029 8.169 ( -7.144 -4.232 14.254) 16.496 8.448 ( -8.243 -1.655 -3.245) 9.012 9.503 ( 6.066 -2.137 2.446) 6.881 9.884 ( 2.305 7.920 -10.201) 13.119 10.405 ( 1.932 -2.354 -7.117) 7.741 11.644 ( -8.197 8.130 -9.231) 14.782 12.582 ( 0.639 -6.263 0.315) 6.304 12.738 ( -6.544 -5.381 5.744) 10.236 13.022 ( -0.803 -9.698 9.119) 13.336 13.937 ( 0.084 2.203 5.004) 5.468 14.037 ( -2.486 4.180 6.404) 8.042 14.639 ( 3.951 2.986 6.904) 8.497 15.310 ( -1.481 -6.399 2.822) 7.149 16.676 ( -0.985 6.087 -14.071) 15.363 17.126 ( 8.494 3.046 -3.875) 9.821 17.434 ( -1.838 -2.553 1.170) 3.356 17.560 ( -0.784 0.099 -0.066) 0.793 ======================= Grid point 286 (101/146) ======================= q-point: (-0.18 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -16.434 -8.171 4.155) 18.817 2.572 ( -18.335 -9.561 4.316) 21.124 2.861 ( 2.715 -1.233 3.252) 4.412 3.266 ( 13.149 5.337 -1.213) 14.243 3.758 ( 14.068 4.791 1.464) 14.934 4.160 ( 11.313 13.411 7.994) 19.280 4.728 ( 6.672 -18.420 -15.008) 24.679 4.957 ( -17.116 -4.313 -6.087) 18.672 5.147 ( 3.476 7.116 -13.867) 15.969 5.714 ( -11.264 13.253 -4.655) 18.005 6.757 ( 7.758 1.746 4.898) 9.340 7.160 ( -0.356 -7.297 7.806) 10.691 7.717 ( -2.551 -6.419 17.041) 18.388 8.100 ( -4.680 -5.362 9.480) 11.854 8.302 ( -8.863 1.022 4.530) 10.006 9.536 ( 3.061 -7.080 -4.047) 8.711 9.921 ( -3.454 11.394 -7.190) 13.909 10.388 ( 3.629 0.138 -6.658) 7.585 11.526 ( -8.428 5.212 -6.226) 11.703 12.507 ( 0.057 -2.455 -2.384) 3.423 12.551 ( -10.483 -6.557 4.095) 13.025 13.036 ( 2.305 -8.504 10.173) 13.458 13.976 ( -1.259 3.192 3.000) 4.557 14.122 ( 1.660 -0.888 13.385) 13.517 14.789 ( 5.689 1.410 6.840) 9.008 15.277 ( 3.477 -4.350 -1.304) 5.720 16.608 ( -3.805 8.306 -15.566) 18.049 17.267 ( 7.508 1.043 -0.864) 7.629 17.379 ( -2.643 -1.294 -0.726) 3.031 17.544 ( -1.239 -0.093 -0.023) 1.243 ======================= Grid point 292 (102/146) ======================= q-point: ( 0.36 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -0.000 12.132 17.939) 21.657 2.227 ( -0.000 15.286 23.798) 28.284 3.281 ( -0.000 11.892 2.606) 12.174 3.297 ( 0.000 -4.782 -1.188) 4.928 3.497 ( 0.000 -4.027 -7.942) 8.905 4.123 ( 0.000 -1.242 -22.469) 22.504 4.630 ( -0.000 5.539 9.471) 10.972 4.944 ( -0.000 -20.114 6.378) 21.101 5.496 ( 0.000 -24.499 -10.939) 26.830 6.069 ( -0.000 0.080 13.416) 13.416 6.537 ( 0.000 6.549 -14.060) 15.510 6.917 ( 0.000 13.764 0.378) 13.769 8.232 ( -0.000 0.786 7.597) 7.638 8.474 ( -0.000 10.094 18.034) 20.666 8.593 ( -0.000 -6.997 5.103) 8.660 9.329 ( 0.000 10.085 -2.930) 10.502 9.979 ( -0.000 -25.718 6.985) 26.649 10.601 ( 0.000 -13.385 -4.768) 14.209 11.192 ( -0.000 -1.396 2.167) 2.578 12.009 ( -0.000 20.991 11.708) 24.035 12.785 ( 0.000 15.533 -5.426) 16.453 13.020 ( 0.000 25.463 -19.691) 32.188 13.808 ( -0.000 -28.094 16.443) 32.552 14.987 ( -0.000 0.987 20.950) 20.973 15.244 ( -0.000 3.393 12.581) 13.030 15.394 ( 0.000 -9.765 -7.890) 12.554 16.154 ( 0.000 -11.793 -12.835) 17.430 16.859 ( 0.000 7.973 -11.325) 13.850 17.510 ( -0.000 0.783 3.074) 3.172 17.583 ( -0.000 -3.139 0.602) 3.196 ======================= Grid point 293 (103/146) ======================= q-point: ( 0.45 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 3.612 10.960 14.832) 18.793 2.465 ( -4.322 12.997 21.220) 25.257 3.194 ( -3.096 -2.411 -3.783) 5.450 3.288 ( 1.562 -4.754 -8.872) 10.186 3.606 ( 5.120 11.215 -3.085) 12.708 3.976 ( 2.609 -4.790 -19.062) 19.827 4.649 ( -10.585 -12.863 4.757) 17.324 4.900 ( 8.453 4.177 15.881) 18.469 5.160 ( -1.793 -25.576 -11.585) 28.134 6.176 ( 3.522 -2.264 7.891) 8.933 6.544 ( 3.139 6.900 -8.178) 11.150 7.002 ( -5.135 11.505 -0.533) 12.610 8.263 ( -2.647 -0.533 7.204) 7.693 8.480 ( -7.205 -2.789 8.649) 11.597 8.731 ( 2.559 8.618 11.622) 14.693 9.311 ( -6.469 1.832 -0.055) 6.724 9.927 ( 13.522 -15.308 -0.094) 20.425 10.335 ( -10.448 -11.334 -6.425) 16.701 11.364 ( 17.823 -2.540 4.244) 18.497 12.239 ( -5.030 18.755 5.632) 20.218 12.773 ( -9.596 21.915 -2.943) 24.104 13.221 ( 7.875 4.611 -8.576) 12.523 13.682 ( 1.662 -16.343 12.867) 20.867 14.957 ( -10.013 -3.492 8.155) 13.377 15.123 ( -16.909 -5.367 -1.808) 17.832 15.391 ( 3.789 -4.065 10.514) 11.892 16.131 ( 14.537 -5.361 -8.439) 17.644 16.860 ( -0.076 7.993 -11.964) 14.388 17.518 ( -1.026 -1.263 2.719) 3.168 17.569 ( 0.997 -2.209 0.834) 2.563 ======================= Grid point 294 (104/146) ======================= q-point: ( 0.55 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 5.841 9.168 10.966) 15.441 2.619 ( -3.623 9.157 16.757) 19.436 3.174 ( 3.987 2.582 -4.389) 6.468 3.190 ( -4.943 -2.932 0.349) 5.757 3.639 ( -1.425 0.201 -12.517) 12.599 3.893 ( -0.400 -5.772 -9.448) 11.079 4.358 ( -7.670 -8.036 -1.812) 11.256 4.792 ( 0.041 -23.868 -13.720) 27.530 5.345 ( 18.303 8.180 19.089) 27.682 6.197 ( -2.900 4.047 -4.072) 6.432 6.680 ( 10.142 -0.885 3.891) 10.899 6.945 ( -13.049 8.925 -1.546) 15.884 8.200 ( -8.030 -3.519 6.988) 11.212 8.399 ( -4.208 -3.441 5.787) 7.939 8.852 ( -6.200 7.386 7.808) 12.408 9.252 ( 0.390 -2.627 4.688) 5.388 9.983 ( -0.413 -8.527 -7.962) 11.673 10.100 ( 6.436 -5.228 -5.868) 10.159 11.720 ( 23.308 -3.604 7.312) 24.693 12.222 ( -14.904 17.041 -6.685) 23.606 12.918 ( -1.312 18.348 6.984) 19.676 13.196 ( 0.368 -17.224 5.870) 18.201 13.739 ( 4.782 1.502 4.987) 7.071 14.630 ( -14.750 -9.464 -17.255) 24.594 14.889 ( -16.905 3.263 16.860) 24.098 15.417 ( 1.820 -8.908 4.498) 10.143 16.342 ( 15.554 0.482 -2.047) 15.696 16.865 ( 0.926 7.838 -12.466) 14.754 17.499 ( -0.833 -2.707 2.906) 4.058 17.573 ( 0.650 -1.122 0.259) 1.322 ======================= Grid point 295 (105/146) ======================= q-point: ( 0.64 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 6.620 6.925 7.058) 11.899 2.734 ( -0.504 3.537 10.134) 10.745 3.055 ( -7.816 -1.691 1.017) 8.061 3.349 ( 9.418 8.402 3.888) 13.207 3.500 ( -2.896 -6.217 -7.740) 10.341 3.596 ( -18.502 -9.219 -0.447) 20.677 4.332 ( 10.145 2.180 -13.248) 16.828 4.537 ( 6.202 -21.086 -14.362) 26.256 5.841 ( 17.837 6.818 14.913) 24.229 6.132 ( -7.188 8.490 -8.119) 13.772 6.719 ( -20.193 5.439 -0.974) 20.935 6.868 ( 10.588 -5.523 7.176) 13.932 8.049 ( -9.787 -5.208 7.563) 13.420 8.328 ( -3.111 -5.362 2.574) 6.713 8.782 ( -11.229 2.110 6.947) 13.372 9.314 ( 4.869 -2.019 1.818) 5.575 9.845 ( -1.721 0.894 -4.538) 4.935 10.196 ( 10.678 -3.243 -8.330) 13.926 12.055 ( -13.373 14.996 -7.262) 21.365 12.126 ( 19.562 -3.547 6.943) 21.059 12.999 ( -6.713 -3.256 6.132) 9.657 13.087 ( -0.535 -10.968 7.505) 13.301 13.870 ( 3.508 3.192 6.205) 7.810 14.250 ( -10.466 0.098 -14.940) 18.242 14.773 ( -11.909 2.442 13.851) 18.429 15.354 ( 0.178 -10.388 0.617) 10.408 16.576 ( 9.733 4.367 -0.333) 10.673 16.889 ( 3.441 6.308 -11.619) 13.661 17.478 ( -0.898 -2.580 2.941) 4.014 17.569 ( 0.219 -0.817 -0.718) 1.110 ======================= Grid point 296 (106/146) ======================= q-point: (-0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( -6.001 -3.889 0.884) 7.205 2.878 ( 2.291 -1.087 1.691) 3.048 2.981 ( -2.476 3.880 9.858) 10.880 3.157 ( -17.459 -10.429 0.061) 20.337 3.448 ( 2.722 0.575 -1.638) 3.229 3.693 ( 14.464 11.713 7.342) 20.008 4.365 ( 9.497 -15.565 -14.386) 23.225 4.529 ( 14.755 4.672 -15.057) 21.593 5.990 ( -14.800 7.635 -7.569) 18.293 6.120 ( -5.418 3.386 1.965) 6.684 6.500 ( -4.423 6.443 5.620) 9.626 7.007 ( 9.167 -9.791 7.424) 15.330 7.898 ( -8.032 -6.199 10.017) 14.258 8.218 ( -3.003 -7.867 -0.990) 8.479 8.660 ( -11.811 1.892 10.913) 16.192 9.360 ( 5.847 -4.189 -5.212) 8.883 9.894 ( 2.463 8.880 -1.016) 9.271 10.262 ( 6.547 -1.668 -8.305) 10.706 11.895 ( -14.583 13.953 -7.426) 21.505 12.432 ( 13.034 -5.822 5.704) 15.372 12.824 ( -8.538 -8.674 3.196) 12.583 12.970 ( -1.911 -12.553 4.000) 13.312 13.983 ( 1.633 2.463 7.359) 7.930 14.129 ( -2.066 4.788 -4.320) 6.772 14.729 ( -5.125 1.773 11.261) 12.498 15.248 ( -0.163 -9.910 -2.018) 10.114 16.703 ( -0.282 9.326 -5.993) 11.089 16.979 ( 8.844 2.563 -5.078) 10.515 17.454 ( -1.686 -1.690 2.264) 3.290 17.558 ( 0.191 -0.670 -1.388) 1.553 ======================= Grid point 297 (107/146) ======================= q-point: (-0.18 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( -12.920 -5.640 2.977) 14.409 2.793 ( -15.424 -6.780 2.955) 17.105 2.853 ( -1.688 -3.868 2.328) 4.820 3.133 ( 7.448 3.913 3.551) 9.132 3.582 ( 11.048 1.381 0.035) 11.134 4.112 ( 19.231 7.045 2.324) 20.612 4.305 ( 6.366 -7.611 -7.825) 12.636 4.766 ( 16.628 9.565 -16.183) 25.097 5.576 ( -32.877 1.141 -1.798) 32.946 5.999 ( -11.371 11.979 -4.346) 17.079 6.664 ( 8.176 0.343 5.064) 9.623 7.069 ( 5.630 -12.162 6.288) 14.803 7.805 ( -4.419 -6.934 13.750) 16.021 8.082 ( -1.916 -9.494 -1.746) 9.842 8.580 ( -10.990 3.991 14.907) 18.946 9.362 ( 5.068 -5.213 -9.923) 12.301 10.026 ( 1.418 11.490 -1.053) 11.625 10.285 ( 3.514 0.215 -7.878) 8.629 11.752 ( -13.023 11.107 -4.424) 17.679 12.450 ( -0.219 -3.510 -4.168) 5.454 12.663 ( -6.366 -9.017 5.761) 12.450 12.937 ( 5.323 -9.650 8.197) 13.735 14.039 ( -1.744 1.814 0.762) 2.629 14.151 ( 1.588 -2.702 8.741) 9.286 14.777 ( 1.634 0.695 8.719) 8.898 15.158 ( 2.043 -7.284 -4.065) 8.588 16.701 ( -4.826 11.974 -10.587) 16.696 17.135 ( 9.050 0.864 0.154) 9.092 17.414 ( -2.889 -0.380 0.139) 2.917 17.547 ( 0.123 -0.700 -1.023) 1.246 ======================= Grid point 304 (108/146) ======================= q-point: ( 0.45 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( -0.000 7.507 13.585) 15.521 2.766 ( -0.000 11.827 19.448) 22.762 3.110 ( 0.000 -1.371 -14.063) 14.130 3.269 ( -0.000 -0.480 6.045) 6.064 3.642 ( 0.000 11.465 -7.839) 13.888 3.766 ( 0.000 -5.964 -21.160) 21.984 4.607 ( -0.000 -22.540 1.750) 22.608 4.912 ( 0.000 -20.474 -8.283) 22.086 4.966 ( -0.000 8.834 18.304) 20.325 6.149 ( -0.000 -9.124 12.974) 15.861 6.529 ( 0.000 10.344 -13.391) 16.921 7.151 ( 0.000 10.703 -0.886) 10.739 8.326 ( -0.000 0.256 5.350) 5.356 8.525 ( -0.000 -4.963 1.551) 5.200 8.908 ( -0.000 10.868 16.500) 19.757 9.416 ( 0.000 7.170 -9.347) 11.780 9.627 ( -0.000 -18.769 5.178) 19.471 10.285 ( 0.000 -13.037 -3.448) 13.485 11.208 ( -0.000 0.177 2.362) 2.369 12.513 ( -0.000 17.618 7.486) 19.142 13.050 ( 0.000 16.395 -1.327) 16.448 13.092 ( 0.000 -3.841 -5.518) 6.723 13.623 ( -0.000 -3.219 6.784) 7.509 14.914 ( 0.000 -12.731 -9.341) 15.790 15.333 ( -0.000 -6.296 1.926) 6.584 15.388 ( -0.000 0.069 15.802) 15.803 15.895 ( 0.000 -1.812 -2.682) 3.237 16.859 ( 0.000 7.304 -11.342) 13.490 17.529 ( -0.000 -3.777 1.555) 4.084 17.541 ( -0.000 -0.557 1.878) 1.959 ======================= Grid point 305 (109/146) ======================= q-point: ( 0.55 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 3.358 3.689 10.658) 11.768 2.909 ( -6.448 8.670 13.542) 17.324 3.067 ( 3.308 2.548 -8.721) 9.669 3.302 ( -2.846 1.769 9.093) 9.691 3.565 ( -1.646 -3.104 -15.797) 16.183 3.751 ( 5.892 6.593 -12.925) 15.660 4.357 ( -2.722 -20.385 -1.655) 20.633 4.597 ( -11.175 -16.701 -4.414) 20.574 5.277 ( 12.841 7.794 17.250) 22.874 6.174 ( 4.747 -8.699 7.848) 12.641 6.571 ( 3.165 7.330 -8.899) 11.956 7.183 ( -6.439 8.656 -1.840) 10.944 8.317 ( -4.545 -1.752 4.670) 6.748 8.444 ( -3.905 -3.983 -1.252) 5.717 9.079 ( -2.147 7.483 11.200) 13.640 9.269 ( -7.370 -3.919 -2.109) 8.609 9.699 ( 14.142 -5.664 -3.309) 15.589 10.088 ( -6.940 -7.456 -1.423) 10.284 11.385 ( 17.196 -0.906 4.427) 17.779 12.585 ( -12.393 14.651 -1.967) 19.290 13.022 ( 3.263 -14.105 6.200) 15.749 13.164 ( -3.325 10.928 3.429) 11.926 13.717 ( 4.594 7.333 0.870) 8.697 14.642 ( -9.431 -9.509 -14.909) 20.041 15.276 ( 2.074 -9.560 -4.659) 10.836 15.288 ( -15.544 -0.482 13.835) 20.815 16.093 ( 16.490 1.233 5.885) 17.552 16.861 ( -0.168 7.699 -10.417) 12.955 17.500 ( -0.464 -3.357 2.486) 4.203 17.551 ( 0.644 -1.099 0.835) 1.523 ======================= Grid point 306 (110/146) ======================= q-point: ( 0.64 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 5.411 -0.337 7.514) 9.266 2.916 ( -6.603 4.926 4.105) 9.204 3.130 ( 1.254 3.240 1.379) 3.738 3.332 ( 0.398 3.109 0.872) 3.253 3.442 ( -0.563 -3.675 -3.597) 5.173 3.750 ( -6.335 2.146 -8.832) 11.079 4.165 ( 1.367 -12.417 -3.478) 12.967 4.273 ( -4.992 -8.191 -4.792) 10.723 5.697 ( 17.199 5.220 13.624) 22.554 6.209 ( 1.691 -0.903 -0.561) 1.997 6.655 ( 7.577 -2.454 -0.974) 8.023 7.073 ( -14.117 6.806 -2.971) 15.951 8.200 ( -9.005 -4.374 4.997) 11.188 8.321 ( -3.695 -4.743 -5.099) 7.883 9.046 ( -11.478 0.747 10.133) 15.329 9.200 ( 3.905 -4.439 -5.941) 8.381 9.836 ( 6.202 -0.446 1.257) 6.343 9.997 ( 2.594 1.201 -3.221) 4.306 11.747 ( 23.178 -2.781 6.528) 24.240 12.434 ( -16.306 12.272 -6.160) 21.318 12.948 ( 0.093 -16.284 8.830) 18.524 13.186 ( -6.726 1.974 1.775) 7.231 13.875 ( 4.650 6.311 2.613) 8.264 14.320 ( -9.638 0.208 -15.659) 18.389 15.084 ( -13.913 -3.078 12.050) 18.661 15.211 ( 2.115 -8.446 -5.977) 10.560 16.421 ( 15.415 2.110 7.310) 17.190 16.870 ( -0.528 8.462 -9.804) 12.962 17.483 ( -0.163 -2.816 3.148) 4.227 17.549 ( 0.200 -0.994 -0.509) 1.135 ======================= Grid point 307 (111/146) ======================= q-point: (-0.27 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 1.748 -4.106 5.044) 6.734 2.848 ( -3.992 -0.205 -2.878) 4.925 3.141 ( -3.785 -1.137 8.816) 9.661 3.279 ( -6.188 -3.693 -5.731) 9.207 3.513 ( -11.009 2.789 0.248) 11.360 3.537 ( 10.938 -2.745 -0.724) 11.301 4.136 ( 3.537 0.358 2.592) 4.399 4.285 ( 10.207 5.971 -11.181) 16.275 6.061 ( 13.572 0.818 8.144) 15.849 6.192 ( -4.959 6.205 -5.511) 9.668 6.740 ( 4.989 -9.238 5.591) 11.895 6.835 ( -13.808 3.202 -4.288) 14.809 8.034 ( -8.877 -5.575 6.496) 12.332 8.166 ( -3.259 -7.524 -7.032) 10.802 8.942 ( -10.676 1.471 12.658) 16.624 9.171 ( 5.496 -5.991 -10.434) 13.228 9.952 ( 2.191 6.593 6.372) 9.427 10.087 ( 7.702 2.444 -7.164) 10.799 12.129 ( 20.999 -4.748 6.124) 22.384 12.242 ( -15.647 11.422 -5.428) 20.119 12.844 ( -2.064 -12.632 7.767) 14.972 12.973 ( -11.478 -7.840 -5.131) 14.817 14.012 ( 3.259 2.358 6.643) 7.766 14.171 ( -3.575 5.608 -10.296) 12.257 14.935 ( -9.656 -2.118 11.277) 14.997 15.114 ( 1.242 -8.695 -7.309) 11.427 16.716 ( 10.797 3.741 7.160) 13.484 16.880 ( -0.110 8.222 -9.831) 12.817 17.478 ( -0.441 -1.725 3.570) 3.990 17.533 ( -0.029 -0.846 -2.181) 2.340 ======================= Grid point 308 (112/146) ======================= q-point: (-0.18 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( -9.009 -2.533 1.881) 9.545 2.801 ( 2.528 -5.902 -0.823) 6.473 3.013 ( -15.370 -3.816 0.626) 15.849 3.148 ( 0.934 -2.239 6.876) 7.291 3.467 ( 0.892 2.234 0.967) 2.592 3.705 ( 16.142 -8.454 -8.839) 20.252 4.329 ( 4.785 15.825 9.349) 18.993 4.508 ( 15.200 11.741 -13.623) 23.547 6.041 ( -19.428 5.921 -4.259) 20.752 6.205 ( -1.600 2.842 1.370) 3.538 6.614 ( -3.760 0.572 0.731) 3.873 6.834 ( 9.895 -15.168 4.237) 18.600 7.901 ( -6.016 -6.549 9.735) 13.185 7.998 ( -1.989 -9.408 -5.785) 11.221 8.883 ( -9.796 3.565 14.722) 18.039 9.146 ( 6.591 -5.387 -12.582) 15.191 10.095 ( 1.749 9.237 2.033) 9.619 10.181 ( 5.594 2.952 -5.553) 8.417 12.074 ( -14.521 10.622 -2.535) 18.169 12.343 ( 7.228 -6.616 -1.033) 9.853 12.704 ( -6.240 -5.972 2.062) 8.881 12.802 ( 4.045 -9.045 3.760) 10.597 14.083 ( -2.666 0.522 -0.919) 2.868 14.127 ( 2.045 -3.316 3.747) 5.405 14.868 ( -5.149 -0.022 8.249) 9.724 15.018 ( 2.594 -7.257 -6.320) 9.967 16.842 ( -4.564 11.617 -5.938) 13.822 16.991 ( 10.655 1.334 2.431) 11.010 17.465 ( -2.770 0.305 0.912) 2.933 17.516 ( 1.262 -1.562 -1.275) 2.379 ======================= Grid point 316 (113/146) ======================= q-point: ( 0.55 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( -0.000 0.336 8.383) 8.390 3.013 ( 0.000 4.453 -7.680) 8.878 3.099 ( -0.000 3.065 7.930) 8.502 3.409 ( -0.000 0.592 8.982) 9.001 3.455 ( 0.000 -2.791 -10.438) 10.804 3.713 ( 0.000 12.090 -13.634) 18.222 4.147 ( 0.000 -17.378 -3.065) 17.646 4.615 ( -0.000 -9.304 4.387) 10.286 5.317 ( -0.000 5.077 14.043) 14.932 6.046 ( -0.000 -17.246 10.635) 20.261 6.582 ( 0.000 11.652 -12.260) 16.913 7.294 ( 0.000 6.534 -2.503) 6.997 8.364 ( -0.000 -1.152 1.536) 1.920 8.423 ( 0.000 -4.949 -3.182) 5.884 9.117 ( 0.000 -2.150 -6.925) 7.251 9.424 ( -0.000 -10.401 8.034) 13.143 9.462 ( 0.000 9.953 -1.655) 10.090 10.093 ( -0.000 -6.237 4.902) 7.933 11.261 ( -0.000 1.282 3.799) 4.009 12.837 ( 0.000 12.522 -1.236) 12.583 12.847 ( -0.000 -18.776 6.551) 19.886 13.311 ( -0.000 7.786 1.943) 8.024 13.759 ( 0.000 10.317 -1.660) 10.450 14.550 ( 0.000 -7.649 -14.113) 16.053 15.112 ( 0.000 -6.163 -12.003) 13.493 15.515 ( -0.000 -4.990 9.755) 10.957 15.984 ( -0.000 1.746 11.701) 11.831 16.885 ( 0.000 8.373 -7.073) 10.961 17.482 ( -0.000 -3.614 2.203) 4.232 17.545 ( -0.000 -0.910 1.402) 1.672 ======================= Grid point 317 (114/146) ======================= q-point: ( 0.64 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( 2.673 -1.878 6.582) 7.348 3.016 ( -1.313 2.862 -4.856) 5.787 3.115 ( 1.045 -0.454 -2.250) 2.522 3.378 ( -3.122 -11.945 4.391) 13.104 3.401 ( -0.777 3.834 -4.467) 5.937 3.772 ( 1.669 13.010 -13.104) 18.541 4.068 ( 0.587 -0.825 6.209) 6.291 4.437 ( -15.521 -5.033 8.149) 18.238 5.554 ( 13.159 2.466 10.730) 17.157 6.016 ( 9.873 -18.517 7.533) 22.296 6.612 ( -0.459 9.586 -10.223) 14.022 7.276 ( -6.450 4.635 -3.549) 8.699 8.294 ( -3.578 -3.456 -9.065) 10.340 8.317 ( -6.232 -5.032 3.095) 8.587 9.018 ( 3.291 -7.447 -15.072) 17.131 9.283 ( -9.954 -1.286 9.511) 13.827 9.688 ( 11.020 4.665 0.665) 11.985 10.065 ( -3.602 0.123 8.435) 9.172 11.437 ( 15.467 -0.164 5.292) 16.348 12.658 ( -7.160 -9.085 3.132) 11.984 12.904 ( -1.920 1.781 -0.135) 2.622 13.304 ( -6.156 -1.333 -0.686) 6.336 13.877 ( 3.807 8.033 -0.718) 8.918 14.360 ( -5.654 0.387 -14.575) 15.638 15.011 ( 2.592 -5.180 -12.006) 13.330 15.368 ( -12.949 -5.603 7.827) 16.135 16.231 ( 14.655 0.785 11.489) 18.639 16.927 ( -0.960 9.422 -4.523) 10.495 17.466 ( 0.401 -3.357 2.366) 4.126 17.544 ( -0.190 -0.667 0.940) 1.168 ======================= Grid point 318 (115/146) ======================= q-point: (-0.27 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 3.251 -5.136 3.751) 7.143 2.924 ( -6.177 -1.166 -2.922) 6.932 3.129 ( 1.178 -6.367 -0.993) 6.550 3.204 ( 2.425 -11.662 -8.798) 14.808 3.427 ( -0.747 5.545 0.473) 5.615 3.805 ( -9.124 13.363 -2.959) 16.449 4.178 ( 0.404 5.652 6.161) 8.371 4.270 ( -4.357 7.968 9.410) 13.077 5.852 ( 15.034 -3.905 7.017) 17.045 6.097 ( 13.127 -12.670 3.850) 18.646 6.618 ( -0.515 4.539 -6.434) 7.891 7.119 ( -13.970 2.974 -4.616) 15.010 8.105 ( -4.599 -6.717 -11.376) 13.989 8.160 ( -8.706 -5.384 3.526) 10.827 8.926 ( 6.317 -8.054 -15.061) 18.210 9.191 ( -9.008 1.111 11.303) 14.496 9.907 ( 9.811 4.966 -0.367) 11.003 10.098 ( -1.751 4.987 7.821) 9.440 11.770 ( 20.932 -3.169 5.643) 21.910 12.483 ( -8.522 -3.010 1.153) 9.111 12.838 ( -4.518 -3.167 -0.364) 5.530 13.074 ( -12.586 -6.616 -5.877) 15.385 14.005 ( 4.058 3.192 2.389) 5.689 14.226 ( -4.536 5.236 -11.824) 13.704 14.931 ( 2.074 -5.863 -8.782) 10.761 15.162 ( -10.958 -4.037 6.094) 13.173 16.553 ( 14.966 0.912 9.144) 17.562 16.969 ( -2.538 10.226 -3.303) 11.042 17.461 ( 1.121 -3.058 1.847) 3.744 17.536 ( -0.955 -0.026 0.332) 1.011 ======================= Grid point 328 (116/146) ======================= q-point: (-0.36 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( -0.000 -4.562 5.943) 7.492 3.020 ( 0.000 5.515 -6.038) 8.177 3.054 ( 0.000 -4.501 -6.505) 7.910 3.241 ( 0.000 -19.054 -1.892) 19.147 3.462 ( 0.000 6.815 -0.612) 6.842 3.814 ( 0.000 15.981 -12.179) 20.093 4.196 ( -0.000 10.732 16.334) 19.544 4.647 ( -0.000 0.751 12.912) 12.934 5.493 ( -0.000 -0.367 7.686) 7.694 5.747 ( -0.000 -25.792 6.339) 26.560 6.656 ( 0.000 10.811 -10.283) 14.921 7.337 ( 0.000 2.415 -4.271) 4.906 8.218 ( 0.000 -4.354 -13.181) 13.881 8.352 ( -0.000 -4.820 3.755) 6.110 8.785 ( 0.000 -9.878 -20.487) 22.745 9.445 ( -0.000 -1.604 13.070) 13.168 9.624 ( 0.000 7.294 -2.749) 7.795 10.165 ( -0.000 0.146 12.465) 12.466 11.346 ( -0.000 1.219 5.634) 5.764 12.608 ( -0.000 -14.955 7.798) 16.866 12.952 ( 0.000 3.240 -6.249) 7.039 13.325 ( 0.000 -4.151 -3.388) 5.358 13.905 ( 0.000 6.774 -2.216) 7.127 14.324 ( 0.000 2.264 -14.311) 14.489 14.887 ( 0.000 0.650 -13.954) 13.969 15.451 ( -0.000 -8.067 2.211) 8.364 16.188 ( -0.000 0.800 16.289) 16.309 17.010 ( 0.000 9.738 -1.189) 9.811 17.445 ( -0.000 -3.331 2.297) 4.046 17.547 ( -0.000 -0.619 1.214) 1.363 ======================= Grid point 329 (117/146) ======================= q-point: (-0.27 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( 1.654 -9.561 2.433) 10.003 2.949 ( -1.753 -4.993 -5.941) 7.956 3.014 ( -2.792 -18.959 -3.080) 19.409 3.069 ( 1.668 7.393 -5.056) 9.111 3.528 ( -1.375 9.951 -0.313) 10.050 3.932 ( 3.275 18.122 -10.366) 21.133 4.412 ( -5.043 11.145 19.366) 22.906 4.585 ( -14.499 6.460 14.496) 21.496 5.576 ( 9.722 -20.404 3.178) 22.824 5.722 ( 17.682 -9.645 6.488) 21.161 6.677 ( -2.078 9.387 -8.345) 12.731 7.271 ( -6.268 0.582 -5.302) 8.230 8.040 ( -4.512 -5.898 -15.378) 17.077 8.255 ( -7.019 -5.752 1.702) 9.233 8.626 ( 6.961 -9.495 -18.132) 21.619 9.416 ( -8.905 1.549 10.672) 13.985 9.793 ( 10.432 5.719 0.136) 11.898 10.229 ( -1.989 2.004 11.249) 11.598 11.500 ( 12.497 -1.124 6.097) 13.951 12.515 ( -2.164 -9.243 6.258) 11.370 12.864 ( -3.894 -5.738 -6.849) 9.747 13.175 ( -9.113 -2.860 -6.963) 11.820 13.975 ( 3.496 3.198 -1.293) 4.912 14.248 ( -2.119 4.027 -13.802) 14.533 14.825 ( 0.120 1.833 -11.567) 11.712 15.308 ( -8.266 -5.943 2.855) 10.573 16.405 ( 11.356 0.627 14.321) 18.288 17.090 ( -1.482 9.693 0.137) 9.807 17.428 ( 0.269 -3.353 1.675) 3.758 17.548 ( -0.098 -0.350 0.981) 1.046 ======================= Grid point 340 (118/146) ======================= q-point: (-0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( -0.000 -14.782 -0.777) 14.802 2.798 ( 0.000 -18.568 -5.971) 19.504 2.915 ( 0.000 -4.017 -4.108) 5.746 3.147 ( 0.000 12.719 -0.744) 12.741 3.649 ( 0.000 13.500 -0.718) 13.519 4.003 ( 0.000 17.264 -9.311) 19.614 4.717 ( -0.000 14.033 23.165) 27.084 4.921 ( -0.000 8.757 15.788) 18.054 5.205 ( -0.000 -35.162 1.210) 35.183 5.534 ( -0.000 -2.967 3.935) 4.929 6.735 ( 0.000 8.989 -7.119) 11.466 7.280 ( 0.000 -1.693 -6.108) 6.338 7.926 ( 0.000 -5.213 -18.056) 18.794 8.296 ( -0.000 -5.763 3.734) 6.867 8.321 ( 0.000 -10.186 -20.906) 23.255 9.651 ( -0.000 1.991 16.963) 17.079 9.671 ( 0.000 2.894 -5.373) 6.103 10.329 ( -0.000 1.715 9.633) 9.785 11.430 ( -0.000 -1.301 6.958) 7.079 12.503 ( -0.000 -4.444 6.303) 7.712 12.751 ( 0.000 -13.883 -7.788) 15.918 13.191 ( 0.000 -1.459 -8.491) 8.615 13.950 ( 0.000 2.177 -3.623) 4.226 14.206 ( 0.000 3.311 -15.459) 15.810 14.801 ( 0.000 5.605 -9.946) 11.417 15.340 ( -0.000 -3.421 0.179) 3.426 16.412 ( -0.000 0.144 17.915) 17.916 17.197 ( -0.000 9.051 1.416) 9.161 17.407 ( -0.000 -3.530 1.692) 3.914 17.547 ( -0.000 -0.790 0.460) 0.915 ======================= Grid point 401 (119/146) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( -0.000 -0.000 28.224) 28.224 1.621 ( -0.000 -0.000 28.224) 28.224 2.743 ( -0.000 -0.000 34.489) 34.489 3.448 ( 0.000 0.000 -6.093) 6.093 4.030 ( 0.000 0.000 -21.432) 21.432 4.030 ( 0.000 0.000 -21.432) 21.432 4.501 ( -0.000 -0.000 1.217) 1.217 5.632 ( -0.000 -0.000 10.570) 10.570 5.632 ( -0.000 -0.000 10.570) 10.570 6.359 ( 0.000 0.000 -2.978) 2.978 6.359 ( 0.000 -0.000 -2.978) 2.978 6.499 ( 0.000 0.000 -16.979) 16.979 8.169 ( -0.000 -0.000 12.022) 12.022 8.169 ( -0.000 -0.000 12.022) 12.022 8.917 ( -0.000 0.000 3.260) 3.260 8.917 ( -0.000 -0.000 3.260) 3.260 10.884 ( -0.000 -0.000 0.366) 0.366 11.021 ( 0.000 0.000 -1.104) 1.104 11.258 ( -0.000 0.000 5.642) 5.642 11.258 ( -0.000 -0.000 5.642) 5.642 12.339 ( 0.000 0.000 -9.498) 9.498 12.339 ( 0.000 0.000 -9.498) 9.498 14.677 ( -0.000 -0.000 21.611) 21.611 14.677 ( -0.000 -0.000 21.611) 21.611 14.856 ( -0.000 -0.000 9.170) 9.170 15.711 ( 0.000 0.000 -7.026) 7.026 16.650 ( 0.000 0.000 -13.711) 13.711 16.650 ( 0.000 0.000 -13.711) 13.711 17.445 ( -0.000 -0.000 5.766) 5.766 17.640 ( 0.000 0.000 -0.129) 0.129 ======================= Grid point 402 (120/146) ======================= q-point: ( 0.36 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 2.811 1.623 24.705) 24.918 1.935 ( 6.928 4.000 27.169) 28.323 3.073 ( 12.276 7.087 22.606) 26.683 3.363 ( -4.676 -2.700 -4.711) 7.166 3.691 ( -8.122 -4.689 -20.730) 22.753 4.066 ( 5.929 3.423 -20.310) 21.433 4.563 ( 3.964 2.289 5.893) 7.461 5.304 ( -19.635 -11.336 8.934) 24.369 6.007 ( 11.793 6.808 10.280) 17.062 6.035 ( -13.546 -7.821 -7.071) 17.166 6.352 ( -0.424 -0.245 -13.040) 13.049 6.625 ( 9.640 5.566 -4.219) 11.904 8.251 ( 0.523 0.302 10.380) 10.397 8.269 ( 0.675 0.390 16.067) 16.086 8.757 ( -6.853 -3.957 2.383) 8.264 9.109 ( 6.508 3.757 1.973) 7.770 10.626 ( -14.382 -8.304 4.121) 17.111 10.773 ( -15.209 -8.781 -3.865) 17.982 11.445 ( 12.762 7.368 6.309) 16.030 11.530 ( 12.361 7.137 8.371) 16.547 12.119 ( -5.348 -3.088 -11.903) 13.409 12.720 ( 24.999 14.433 -13.083) 31.693 14.534 ( -16.779 -9.687 17.448) 26.073 14.665 ( -7.508 -4.335 21.074) 22.787 15.210 ( 12.012 6.935 16.682) 21.695 15.551 ( -10.258 -5.923 -9.250) 15.029 16.529 ( 1.498 0.865 -15.319) 15.416 16.607 ( 1.090 0.629 -12.906) 12.968 17.489 ( 0.575 0.332 4.956) 5.000 17.630 ( -0.726 -0.419 0.052) 0.840 ======================= Grid point 403 (121/146) ======================= q-point: ( 0.45 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 6.848 3.954 18.835) 20.427 2.235 ( 5.898 3.405 24.011) 24.958 3.212 ( -5.822 -3.361 -1.735) 6.943 3.434 ( -4.752 -2.743 -17.560) 18.397 3.458 ( 12.768 7.372 2.982) 15.042 4.062 ( 4.595 2.653 -16.232) 17.077 4.702 ( -3.703 -2.138 8.014) 9.083 4.969 ( -7.699 -4.445 12.141) 15.047 5.699 ( -11.309 -6.529 -9.766) 16.307 6.104 ( -2.094 -1.209 -10.571) 10.844 6.454 ( 9.696 5.598 7.871) 13.686 6.746 ( 3.477 2.007 -2.532) 4.747 8.282 ( -4.126 -2.382 9.626) 10.741 8.384 ( -0.529 -0.306 18.625) 18.635 8.660 ( -2.279 -1.316 -0.282) 2.647 9.224 ( 2.493 1.439 3.952) 4.889 10.395 ( -15.099 -8.718 -7.966) 19.169 10.440 ( -4.093 -2.363 0.658) 4.772 11.752 ( 7.364 4.251 -1.949) 8.724 11.873 ( 13.251 7.650 10.518) 18.567 12.021 ( 6.279 3.625 -2.163) 7.566 13.122 ( 17.822 10.289 -11.880) 23.762 14.265 ( -17.208 -9.935 18.256) 26.983 14.614 ( -8.664 -5.002 19.805) 22.189 15.163 ( -17.480 -10.092 -14.145) 24.648 15.492 ( 3.739 2.159 16.977) 17.518 16.511 ( 4.879 2.817 -14.978) 16.003 16.588 ( 4.971 2.870 -12.007) 13.309 17.523 ( -0.019 -0.011 3.818) 3.818 17.613 ( -0.944 -0.545 0.308) 1.132 ======================= Grid point 404 (122/146) ======================= q-point: ( 0.55 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 8.850 5.109 12.996) 16.532 2.504 ( 6.394 3.691 19.481) 20.833 3.141 ( -1.811 -1.046 5.192) 5.597 3.240 ( -3.001 -1.732 -15.054) 15.448 3.605 ( 2.508 1.448 -8.505) 8.985 4.033 ( -3.996 -2.307 -9.813) 10.844 4.405 ( -11.174 -6.451 -1.797) 13.027 5.164 ( 4.002 2.310 -0.344) 4.634 5.545 ( 5.903 3.408 6.878) 9.684 5.955 ( -3.951 -2.281 -12.310) 13.128 6.577 ( -4.604 -2.658 -0.444) 5.335 6.855 ( 7.489 4.324 8.326) 12.005 8.195 ( -8.465 -4.887 9.304) 13.494 8.457 ( -4.082 -2.357 19.908) 20.458 8.633 ( -0.088 -0.051 -3.556) 3.557 9.294 ( 1.749 1.010 6.162) 6.485 10.041 ( -11.181 -6.456 -10.341) 16.542 10.413 ( 1.898 1.096 -5.441) 5.866 11.696 ( -1.857 -1.072 -13.700) 13.867 12.232 ( 12.936 7.468 11.341) 18.754 12.376 ( 16.009 9.243 11.479) 21.759 13.344 ( 7.246 4.184 -5.997) 10.294 14.038 ( -12.866 -7.428 17.958) 23.307 14.523 ( -12.194 -7.040 13.279) 19.355 14.672 ( -14.550 -8.401 -13.800) 21.742 15.589 ( -3.027 -1.748 12.996) 13.457 16.533 ( 5.241 3.026 -14.831) 16.018 16.680 ( 8.952 5.168 -9.011) 13.713 17.534 ( -0.841 -0.486 2.413) 2.601 17.594 ( -0.941 -0.543 0.376) 1.150 ======================= Grid point 405 (123/146) ======================= q-point: ( 0.64 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 10.264 5.926 7.839) 14.210 2.754 ( 6.211 3.586 14.357) 16.049 3.007 ( -8.504 -4.910 -3.469) 10.415 3.304 ( 9.306 5.373 3.771) 11.389 3.513 ( -6.423 -3.708 -5.272) 9.100 3.681 ( -18.561 -10.716 -1.527) 21.486 4.386 ( 9.923 5.729 -15.519) 19.291 5.063 ( -1.738 -1.004 -17.609) 17.723 5.791 ( -4.376 -2.527 -10.398) 11.561 5.970 ( 17.636 10.182 18.729) 27.668 6.321 ( -16.106 -9.299 -4.053) 19.034 7.079 ( 6.185 3.571 9.962) 12.258 8.059 ( -8.896 -5.136 10.534) 14.713 8.450 ( -7.806 -4.507 20.551) 22.441 8.577 ( -2.582 -1.491 -6.280) 6.952 9.397 ( 4.002 2.310 6.596) 8.054 9.801 ( -4.088 -2.360 -11.651) 12.571 10.416 ( 1.935 1.117 -8.941) 9.216 11.577 ( -1.147 -0.662 -12.720) 12.788 12.568 ( 10.774 6.220 10.913) 16.549 12.714 ( 6.197 3.578 9.681) 12.039 13.356 ( -4.715 -2.722 2.330) 5.922 13.963 ( -3.078 -1.777 14.744) 15.166 14.126 ( -13.621 -7.864 -13.376) 20.647 14.561 ( -2.419 -1.396 11.546) 11.879 15.546 ( -6.249 -3.608 7.911) 10.708 16.541 ( 3.868 2.233 -15.484) 16.115 16.845 ( 9.703 5.602 -5.381) 12.429 17.517 ( -1.645 -0.950 0.887) 2.096 17.577 ( -0.772 -0.445 0.164) 0.906 ======================= Grid point 406 (124/146) ======================= q-point: (-0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( -6.381 -3.684 -3.926) 8.349 2.900 ( 6.970 4.024 6.491) 10.340 2.906 ( -0.352 -0.203 8.404) 8.414 3.189 ( -18.512 -10.688 3.234) 21.619 3.488 ( 1.698 0.981 -2.706) 3.342 3.610 ( 14.277 8.243 8.932) 18.749 4.546 ( 14.022 8.095 -19.882) 25.640 4.944 ( 1.547 0.893 -18.662) 18.747 5.638 ( -4.422 -2.553 -7.665) 9.210 5.845 ( -24.325 -14.044 -4.020) 28.374 6.429 ( 14.005 8.086 13.614) 21.139 7.229 ( 2.307 1.332 7.683) 8.132 7.956 ( -7.208 -4.162 14.090) 16.365 8.389 ( -9.165 -5.292 20.935) 23.458 8.446 ( -5.185 -2.994 -6.489) 8.829 9.542 ( 5.143 2.969 6.098) 8.512 9.703 ( 1.594 0.920 -14.114) 14.233 10.380 ( 0.284 0.164 -9.859) 9.865 11.491 ( -0.239 -0.138 -9.875) 9.879 12.702 ( -8.209 -4.739 -1.584) 9.610 12.804 ( 3.352 1.936 9.214) 9.994 13.227 ( -7.690 -4.440 7.334) 11.517 13.918 ( -0.915 -0.528 -3.300) 3.465 14.054 ( 2.273 1.312 13.773) 14.021 14.640 ( 2.900 1.674 11.113) 11.607 15.438 ( -6.382 -3.685 3.734) 8.261 16.503 ( 1.737 1.003 -16.759) 16.879 17.026 ( 8.935 5.159 -2.847) 10.703 17.473 ( -2.371 -1.369 -0.532) 2.789 17.562 ( -0.578 -0.334 -0.206) 0.698 ======================= Grid point 413 (125/146) ======================= q-point: ( 0.36 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -0.000 3.739 24.179) 24.466 2.134 ( -0.000 11.167 27.455) 29.639 3.159 ( -0.000 6.432 14.601) 15.955 3.351 ( 0.000 -2.550 -3.817) 4.590 3.551 ( 0.000 -9.548 -19.346) 21.574 3.924 ( 0.000 6.565 -23.625) 24.521 4.613 ( -0.000 3.331 13.036) 13.455 5.386 ( -0.000 -20.769 8.603) 22.480 5.900 ( 0.000 -23.673 -8.378) 25.112 6.046 ( -0.000 10.574 11.801) 15.845 6.327 ( 0.000 4.536 -18.313) 18.867 6.628 ( 0.000 16.054 -1.986) 16.177 8.296 ( -0.000 -1.500 10.835) 10.939 8.417 ( -0.000 6.859 16.215) 17.606 8.766 ( -0.000 -8.414 2.292) 8.721 9.123 ( 0.000 9.739 -2.158) 9.975 10.546 ( -0.000 -27.942 3.963) 28.221 10.829 ( 0.000 -12.856 -2.617) 13.119 11.271 ( -0.000 -3.848 5.128) 6.411 11.676 ( -0.000 21.261 10.780) 23.838 12.377 ( 0.000 24.328 -16.739) 29.530 12.443 ( 0.000 14.650 -10.162) 17.829 14.478 ( -0.000 -28.418 18.545) 33.934 15.076 ( -0.000 4.334 23.556) 23.951 15.206 ( -0.000 9.509 14.493) 17.334 15.523 ( 0.000 -8.477 -8.555) 12.043 16.294 ( 0.000 -11.450 -16.445) 20.038 16.613 ( 0.000 9.232 -14.329) 17.046 17.519 ( -0.000 0.598 4.311) 4.352 17.627 ( -0.000 -1.324 0.097) 1.327 ======================= Grid point 414 (126/146) ======================= q-point: ( 0.45 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 1.389 6.936 20.250) 21.450 2.403 ( -0.424 9.010 25.644) 27.184 3.221 ( -1.524 -5.266 -9.502) 10.970 3.312 ( 1.119 -2.103 -4.750) 5.314 3.428 ( 2.476 6.055 -3.681) 7.506 3.871 ( 5.560 2.053 -21.961) 22.747 4.783 ( 2.001 3.383 17.320) 17.760 5.126 ( -10.902 -16.024 9.579) 21.619 5.578 ( -2.905 -24.385 -9.486) 26.327 6.125 ( -5.147 5.385 -9.694) 12.226 6.403 ( 11.288 7.416 3.572) 13.971 6.763 ( -0.542 12.076 -2.695) 12.385 8.345 ( -0.226 -2.599 9.638) 9.985 8.557 ( -4.240 4.094 15.144) 16.251 8.693 ( -1.465 -1.358 2.649) 3.317 9.215 ( 2.786 5.952 -2.715) 7.110 10.324 ( 2.212 -22.936 2.587) 23.187 10.515 ( -15.338 -11.577 -5.342) 19.945 11.484 ( 21.621 -5.897 7.008) 23.481 11.911 ( -5.885 17.673 3.104) 18.884 12.279 ( -8.757 25.848 -4.119) 27.600 12.859 ( 19.797 17.514 -13.794) 29.815 14.295 ( -2.849 -28.554 18.881) 34.351 15.028 ( -16.722 4.609 18.088) 25.061 15.242 ( -14.251 -10.602 -10.425) 20.595 15.515 ( 7.622 0.577 16.165) 17.881 16.192 ( 11.354 -8.205 -13.949) 19.769 16.601 ( -1.203 10.437 -14.326) 17.766 17.546 ( -0.120 -0.086 3.281) 3.284 17.612 ( -0.119 -1.629 0.261) 1.654 ======================= Grid point 415 (127/146) ======================= q-point: ( 0.55 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 2.636 8.826 15.074) 17.665 2.613 ( 0.370 4.996 21.904) 22.470 3.114 ( 2.248 -1.336 -11.970) 12.253 3.230 ( -4.235 -1.374 0.333) 4.464 3.522 ( 3.371 3.916 -9.225) 10.573 3.871 ( 7.853 -0.465 -17.640) 19.315 4.601 ( -19.096 -14.195 6.013) 24.542 5.095 ( -1.331 -10.860 -2.219) 11.164 5.408 ( 13.074 -5.437 12.703) 19.022 6.003 ( -6.584 7.540 -14.557) 17.666 6.684 ( 4.136 7.137 5.885) 10.133 6.797 ( 0.853 3.857 -0.255) 3.958 8.325 ( -5.568 -4.424 8.207) 10.859 8.526 ( -1.884 -5.749 5.167) 7.956 8.755 ( -4.702 8.360 10.668) 14.346 9.285 ( 2.974 1.156 0.342) 3.209 10.118 ( -13.419 -9.405 -7.554) 18.044 10.239 ( 6.844 -13.140 -3.353) 15.190 11.835 ( -13.420 14.800 -9.983) 22.334 11.878 ( 24.986 -5.682 9.122) 27.199 12.551 ( 3.400 25.182 10.321) 27.426 13.188 ( 12.641 9.971 -9.950) 18.926 14.105 ( -3.099 -23.992 18.790) 30.631 14.737 ( -18.446 -12.678 -17.763) 28.575 14.915 ( -18.284 5.010 18.405) 26.422 15.628 ( 2.016 -8.255 8.584) 12.079 16.310 ( 12.638 0.428 -6.371) 14.160 16.612 ( 1.728 9.994 -13.427) 16.827 17.551 ( -0.667 -1.161 2.212) 2.586 17.597 ( -0.208 -1.238 0.126) 1.262 ======================= Grid point 416 (128/146) ======================= q-point: ( 0.64 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 3.724 8.895 9.808) 13.754 2.793 ( 3.234 1.395 15.760) 16.149 3.048 ( -3.250 0.017 -8.549) 9.146 3.261 ( 5.169 3.984 7.325) 9.811 3.496 ( -0.399 -0.327 -8.945) 8.960 3.795 ( -6.872 -9.138 -8.638) 14.330 4.266 ( -5.239 -3.968 -4.318) 7.864 4.849 ( 1.150 -18.812 -13.444) 23.151 5.817 ( 10.034 6.071 9.480) 15.080 5.901 ( 1.008 8.083 -3.720) 8.955 6.576 ( -17.310 5.866 -3.671) 18.642 7.002 ( 11.306 -1.413 8.313) 14.104 8.206 ( -7.975 -5.558 8.380) 12.834 8.473 ( -0.041 -7.775 1.278) 7.880 8.771 ( -9.921 4.957 12.661) 16.831 9.358 ( 4.894 -0.788 1.768) 5.263 9.820 ( -8.535 -2.705 -7.830) 11.894 10.242 ( 8.351 -7.071 -8.189) 13.667 11.688 ( -12.498 14.654 -11.142) 22.250 12.291 ( 23.360 -6.453 10.536) 26.426 12.870 ( 0.650 15.816 10.021) 18.735 13.324 ( 3.765 -2.119 -2.324) 4.906 14.008 ( -0.073 -12.698 15.613) 20.125 14.215 ( -15.816 -7.232 -18.061) 25.073 14.801 ( -13.331 3.690 15.894) 21.070 15.575 ( -0.528 -11.132 2.620) 11.448 16.446 ( 3.375 6.945 -7.933) 11.070 16.707 ( 8.807 6.042 -7.126) 12.840 17.532 ( -1.275 -1.676 1.173) 2.410 17.581 ( -0.419 -0.876 -0.478) 1.082 ======================= Grid point 417 (129/146) ======================= q-point: (-0.27 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( 0.217 2.556 -1.640) 3.045 2.909 ( 2.416 -0.126 6.230) 6.683 2.983 ( -3.051 1.769 8.118) 8.851 3.395 ( -13.858 -7.601 0.600) 15.817 3.436 ( -1.580 -6.312 -4.424) 7.868 3.547 ( 10.441 9.043 10.142) 17.136 4.285 ( 10.326 4.671 -15.790) 19.436 4.655 ( 6.801 -16.939 -14.621) 23.387 5.752 ( -8.768 9.943 -10.169) 16.708 6.110 ( -12.985 -2.738 -1.228) 13.327 6.405 ( 3.044 8.673 10.363) 13.852 7.183 ( 7.603 -3.510 6.725) 10.740 8.092 ( -6.050 -6.217 11.409) 14.333 8.380 ( -1.277 -8.969 -1.794) 9.236 8.703 ( -11.910 1.684 15.641) 19.731 9.424 ( 6.022 -5.171 -3.426) 8.645 9.717 ( -2.291 7.695 -4.038) 8.987 10.252 ( 5.533 -3.379 -10.445) 12.293 11.572 ( -9.500 12.705 -9.037) 18.258 12.606 ( 12.738 -7.663 7.283) 16.553 12.906 ( -8.056 0.719 1.390) 8.207 13.264 ( -2.451 -10.992 3.983) 11.946 13.930 ( -2.278 3.359 -5.462) 6.805 14.100 ( 3.498 -1.136 11.448) 12.024 14.761 ( -6.008 2.639 13.772) 15.256 15.451 ( -1.890 -11.408 -0.565) 11.578 16.461 ( -2.291 9.161 -12.481) 15.651 16.896 ( 10.439 4.067 -1.657) 11.325 17.491 ( -2.152 -1.566 -0.192) 2.668 17.563 ( -0.297 -0.642 -0.923) 1.163 ======================= Grid point 425 (130/146) ======================= q-point: ( 0.45 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( -0.000 6.803 18.955) 20.139 2.683 ( -0.000 11.194 24.480) 26.918 3.071 ( 0.000 -5.447 -16.771) 17.634 3.299 ( -0.000 -0.333 1.426) 1.464 3.442 ( 0.000 6.205 -4.082) 7.427 3.684 ( 0.000 0.106 -23.829) 23.829 4.945 ( -0.000 6.519 22.259) 23.194 5.072 ( -0.000 -22.582 7.073) 23.664 5.297 ( 0.000 -25.643 -10.171) 27.587 6.230 ( 0.000 9.797 -18.625) 21.045 6.306 ( -0.000 1.021 11.573) 11.618 6.899 ( 0.000 14.747 -2.478) 14.954 8.381 ( -0.000 -2.083 8.058) 8.323 8.648 ( -0.000 -6.402 0.623) 6.432 8.800 ( -0.000 10.821 16.151) 19.441 9.221 ( 0.000 7.380 -8.425) 11.200 10.078 ( -0.000 -25.199 4.168) 25.542 10.523 ( 0.000 -14.271 -3.471) 14.688 11.260 ( -0.000 -3.303 5.289) 6.236 12.216 ( -0.000 19.089 9.085) 21.141 12.666 ( 0.000 26.450 -17.727) 31.841 12.670 ( 0.000 20.677 -5.352) 21.358 14.155 ( -0.000 -29.652 19.785) 35.646 15.113 ( 0.000 -13.933 -9.326) 16.766 15.463 ( -0.000 -2.750 8.271) 8.717 15.484 ( -0.000 1.472 18.664) 18.722 15.910 ( 0.000 -4.683 -10.626) 11.613 16.618 ( 0.000 9.788 -14.117) 17.178 17.565 ( -0.000 -0.384 2.550) 2.579 17.595 ( -0.000 -2.388 0.516) 2.443 ======================= Grid point 426 (131/146) ======================= q-point: ( 0.55 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 1.548 6.438 15.583) 16.931 2.853 ( -5.512 6.161 15.406) 17.484 2.975 ( 3.040 0.547 -9.479) 9.969 3.298 ( -2.637 1.641 1.341) 3.383 3.466 ( 0.798 3.899 -8.705) 9.571 3.617 ( 8.006 -0.017 -16.983) 18.776 4.766 ( -11.802 -19.408 6.502) 23.627 4.945 ( -6.830 -23.596 -8.918) 26.133 5.279 ( 13.140 3.924 21.206) 25.254 6.113 ( -7.504 10.131 -14.173) 18.969 6.534 ( 14.601 -1.608 6.551) 16.083 6.968 ( -5.751 12.337 -3.241) 13.992 8.392 ( -1.696 -3.158 6.292) 7.242 8.543 ( -4.632 -5.852 -0.518) 7.481 8.986 ( -1.932 10.059 13.554) 16.989 9.235 ( 1.577 2.868 -8.006) 8.649 9.939 ( 6.388 -18.643 1.833) 19.792 10.237 ( -13.283 -10.087 -3.776) 17.101 11.471 ( 21.181 -4.320 7.269) 22.806 12.235 ( -17.359 18.778 -6.124) 26.295 12.801 ( 1.655 23.248 6.143) 24.103 13.016 ( 13.044 14.844 -11.646) 22.938 14.006 ( -0.103 -25.534 19.684) 32.241 14.775 ( -13.582 -13.990 -15.620) 24.983 15.368 ( -16.705 1.522 15.254) 22.673 15.467 ( 3.834 -12.736 -4.302) 13.979 16.090 ( 15.799 3.061 5.957) 17.160 16.618 ( -0.810 10.091 -13.279) 16.698 17.563 ( -0.699 -1.675 1.934) 2.652 17.582 ( 0.374 -1.702 0.444) 1.799 ======================= Grid point 427 (132/146) ======================= q-point: ( 0.64 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 2.853 5.902 11.281) 13.047 2.858 ( -1.951 1.459 -0.136) 2.440 3.050 ( 1.507 5.537 5.683) 8.076 3.264 ( 0.067 1.227 -6.068) 6.191 3.467 ( -0.302 1.854 1.824) 2.618 3.659 ( 5.643 0.079 -13.567) 14.694 4.406 ( -16.647 -13.169 6.107) 22.087 4.564 ( -2.158 -23.984 -10.460) 26.255 5.705 ( 17.106 4.326 18.492) 25.559 6.015 ( -6.727 12.131 -13.995) 19.705 6.790 ( 15.078 -5.601 6.443) 17.327 6.892 ( -13.329 9.591 -4.149) 16.937 8.323 ( -6.634 -4.956 5.936) 10.189 8.411 ( -2.064 -6.819 -2.971) 7.719 9.057 ( -8.674 5.450 12.108) 15.860 9.242 ( 5.137 -3.078 -6.119) 8.561 9.909 ( -2.903 -5.980 0.753) 6.690 9.984 ( 2.149 -4.951 -5.978) 8.054 11.877 ( 25.763 -5.479 9.299) 27.933 12.060 ( -18.339 19.241 -9.791) 28.326 13.068 ( 0.078 13.939 8.281) 16.214 13.199 ( 6.572 -0.490 -4.728) 8.111 13.951 ( 3.179 -13.458 16.246) 21.334 14.289 ( -16.133 -8.289 -18.760) 26.095 15.181 ( -17.050 0.945 13.963) 22.058 15.389 ( 5.617 -13.860 -7.270) 16.629 16.410 ( 11.633 4.734 8.742) 15.303 16.624 ( 0.364 9.654 -12.868) 16.091 17.544 ( -0.890 -1.876 1.882) 2.802 17.569 ( -0.148 -1.428 -0.734) 1.613 ======================= Grid point 428 (133/146) ======================= q-point: ( 0.73 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( -4.001 3.843 -2.373) 6.033 2.874 ( 4.873 -2.199 5.713) 7.825 3.126 ( -4.077 5.266 7.219) 9.822 3.296 ( 7.162 -0.595 -6.747) 9.857 3.538 ( -6.837 -4.751 0.031) 8.326 3.558 ( 1.644 2.473 4.667) 5.532 4.159 ( -2.794 -1.358 -3.806) 4.913 4.317 ( 3.540 -17.597 -8.501) 19.861 5.936 ( -7.655 13.286 -11.393) 19.103 6.096 ( 12.497 1.459 10.386) 16.315 6.679 ( -17.663 7.729 -2.652) 19.462 6.993 ( 12.954 -8.674 5.619) 16.572 8.194 ( -6.560 -6.134 7.621) 11.779 8.291 ( -0.990 -8.996 -4.344) 10.039 8.998 ( -10.581 1.371 13.289) 17.042 9.237 ( 5.251 -7.058 -8.718) 12.386 9.839 ( -4.441 7.783 2.246) 9.238 10.036 ( 9.015 -2.794 -7.599) 12.117 11.891 ( -16.234 18.237 -8.633) 25.897 12.288 ( 22.517 -6.713 8.797) 25.089 13.054 ( -11.015 -3.291 -1.314) 11.571 13.182 ( 0.602 -12.393 2.522) 12.662 13.985 ( -4.206 4.716 -6.909) 9.363 14.060 ( 6.170 -2.375 8.868) 11.061 15.021 ( -12.481 0.308 11.961) 17.289 15.286 ( 3.366 -13.558 -7.432) 15.824 16.573 ( -4.245 12.345 -5.099) 14.015 16.739 ( 12.043 2.953 0.554) 12.412 17.517 ( -2.110 -0.976 0.689) 2.424 17.546 ( 0.224 -1.554 -1.176) 1.962 ======================= Grid point 437 (134/146) ======================= q-point: ( 0.55 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( -0.000 1.528 10.915) 11.021 2.863 ( 0.000 4.499 -10.214) 11.161 3.092 ( -0.000 3.959 11.367) 12.037 3.332 ( 0.000 2.310 -10.456) 10.708 3.460 ( 0.000 6.120 -10.570) 12.213 3.483 ( -0.000 2.588 6.178) 6.698 4.575 ( 0.000 -28.594 -5.597) 29.137 4.874 ( -0.000 -14.664 4.539) 15.350 5.330 ( -0.000 4.554 19.581) 20.103 6.232 ( 0.000 14.316 -18.188) 23.146 6.366 ( -0.000 -8.872 9.918) 13.307 7.109 ( 0.000 11.100 -3.684) 11.696 8.403 ( -0.000 -3.192 1.695) 3.614 8.530 ( -0.000 -5.738 0.101) 5.738 9.087 ( 0.000 1.469 -5.146) 5.352 9.264 ( 0.000 10.436 0.739) 10.462 9.730 ( -0.000 -17.266 6.051) 18.296 10.259 ( -0.000 -9.541 0.756) 9.571 11.291 ( -0.000 -1.265 6.680) 6.799 12.562 ( 0.000 14.618 -2.915) 14.906 12.879 ( 0.000 15.290 -14.189) 20.859 13.078 ( -0.000 18.610 4.983) 19.266 13.899 ( -0.000 -21.195 19.217) 28.609 14.674 ( 0.000 -14.319 -14.895) 20.662 15.207 ( 0.000 -11.909 -13.685) 18.141 15.670 ( -0.000 -4.003 11.777) 12.439 15.992 ( -0.000 5.034 11.400) 12.462 16.655 ( 0.000 10.553 -9.383) 14.122 17.554 ( -0.000 -2.783 0.942) 2.938 17.574 ( -0.000 -1.059 1.476) 1.816 ======================= Grid point 438 (135/146) ======================= q-point: ( 0.64 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 3.860 0.035 3.098) 4.949 2.891 ( -0.048 6.245 -2.864) 6.870 3.110 ( 0.828 -0.549 -5.339) 5.431 3.279 ( -4.459 5.762 0.076) 7.286 3.510 ( 4.780 4.870 -9.800) 11.942 3.570 ( -1.956 1.287 11.778) 12.008 4.285 ( -0.487 -21.464 -4.447) 21.925 4.643 ( -15.897 -11.240 7.939) 21.026 5.594 ( 12.768 2.275 16.100) 20.674 6.153 ( -6.525 10.184 -11.561) 16.732 6.500 ( 14.546 -7.577 2.829) 16.644 7.124 ( -6.823 8.888 -4.702) 12.151 8.339 ( -1.590 -5.857 -4.709) 7.681 8.433 ( -6.174 -4.834 2.768) 8.315 9.049 ( 5.230 -4.769 -13.668) 15.392 9.307 ( -7.563 5.037 6.459) 11.149 9.715 ( 8.298 -7.676 3.720) 11.900 10.115 ( -9.626 -1.599 4.502) 10.746 11.504 ( 19.182 -2.516 8.206) 21.014 12.477 ( -16.990 16.105 -8.691) 24.971 13.027 ( 9.092 0.574 -5.446) 10.614 13.247 ( -1.579 9.714 4.983) 11.031 13.877 ( 3.258 -10.277 14.984) 18.460 14.336 ( -11.899 -8.573 -17.165) 22.577 15.086 ( 7.230 -10.968 -13.692) 18.975 15.514 ( -14.943 -4.040 8.658) 17.736 16.269 ( 14.085 2.605 10.900) 18.000 16.697 ( -1.933 11.443 -5.711) 12.935 17.535 ( 0.140 -2.676 0.968) 2.849 17.566 ( -0.656 -1.015 0.868) 1.488 ======================= Grid point 449 (136/146) ======================= q-point: (-0.36 -0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 0.000 3.210 -0.629) 3.271 2.926 ( -0.000 1.023 0.990) 1.423 3.027 ( 0.000 0.959 -13.686) 13.720 3.392 ( -0.000 1.226 6.174) 6.295 3.468 ( 0.000 11.236 -11.899) 16.366 3.616 ( -0.000 -13.803 7.237) 15.586 4.162 ( -0.000 -2.456 6.384) 6.840 4.778 ( -0.000 -6.060 12.416) 13.816 5.570 ( -0.000 -0.735 12.864) 12.885 6.216 ( -0.000 -18.321 7.327) 19.732 6.308 ( 0.000 16.350 -16.699) 23.370 7.222 ( 0.000 6.694 -5.474) 8.647 8.250 ( 0.000 -6.636 -9.410) 11.515 8.474 ( -0.000 -4.538 4.869) 6.656 8.831 ( 0.000 -7.668 -19.433) 20.891 9.469 ( 0.000 7.344 -1.001) 7.412 9.596 ( -0.000 -7.213 10.151) 12.453 10.236 ( -0.000 -0.401 9.520) 9.529 11.376 ( -0.000 -0.041 8.522) 8.522 12.747 ( 0.000 12.016 -7.776) 14.313 12.863 ( 0.000 -3.447 -4.841) 5.943 13.353 ( -0.000 2.892 1.905) 3.463 13.858 ( -0.000 -4.805 11.884) 12.819 14.261 ( 0.000 -6.507 -16.204) 17.462 14.840 ( 0.000 -5.707 -15.862) 16.858 15.620 ( -0.000 -8.239 0.765) 8.275 16.248 ( -0.000 3.520 15.461) 15.857 16.802 ( 0.000 11.363 -1.199) 11.427 17.514 ( -0.000 -2.723 1.056) 2.921 17.569 ( -0.000 -0.937 0.947) 1.332 ======================= Grid point 534 (137/146) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -0.000 -0.000 27.624) 27.624 2.144 ( -0.000 -0.000 27.624) 27.624 3.190 ( -0.000 -0.000 12.759) 12.759 3.349 ( 0.000 0.000 -4.142) 4.142 3.606 ( 0.000 0.000 -23.689) 23.689 3.606 ( 0.000 0.000 -23.689) 23.689 4.677 ( -0.000 -0.000 18.368) 18.368 5.828 ( -0.000 0.000 10.230) 10.230 5.828 ( -0.000 -0.000 10.230) 10.230 6.127 ( 0.000 0.000 -22.589) 22.589 6.284 ( 0.000 0.000 -5.122) 5.122 6.284 ( 0.000 -0.000 -5.122) 5.122 8.419 ( -0.000 -0.000 13.937) 13.937 8.419 ( -0.000 -0.000 13.937) 13.937 8.933 ( 0.000 0.000 -1.720) 1.720 8.933 ( 0.000 -0.000 -1.720) 1.720 10.899 ( -0.000 -0.000 1.188) 1.188 10.996 ( 0.000 0.000 -1.554) 1.554 11.396 ( -0.000 -0.000 9.169) 9.169 11.396 ( -0.000 -0.000 9.169) 9.169 12.122 ( 0.000 0.000 -13.280) 13.280 12.122 ( 0.000 0.000 -13.280) 13.280 15.037 ( -0.000 -0.000 9.974) 9.974 15.113 ( -0.000 -0.000 24.270) 24.270 15.113 ( -0.000 -0.000 24.270) 24.270 15.567 ( 0.000 0.000 -8.286) 8.286 16.355 ( 0.000 0.000 -17.697) 17.697 16.355 ( 0.000 0.000 -17.697) 17.697 17.541 ( -0.000 -0.000 4.307) 4.307 17.638 ( 0.000 0.000 -0.118) 0.118 ======================= Grid point 535 (138/146) ======================= q-point: ( 0.45 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -1.224 -0.707 24.349) 24.390 2.448 ( 5.355 3.091 27.434) 28.122 3.264 ( -6.982 -4.031 -15.940) 17.863 3.298 ( 4.824 2.785 2.801) 6.235 3.320 ( -1.917 -1.107 -8.362) 8.650 3.650 ( 8.656 4.998 -23.307) 25.360 4.849 ( 3.607 2.082 22.776) 23.153 5.476 ( -20.183 -11.653 9.398) 25.129 5.897 ( -15.685 -9.056 -7.563) 19.627 5.948 ( -0.993 -0.573 -19.836) 19.869 6.269 ( 15.545 8.975 8.067) 19.679 6.547 ( 10.486 6.054 -4.886) 13.057 8.459 ( -1.523 -0.879 11.222) 11.359 8.573 ( 2.676 1.545 15.769) 16.069 8.763 ( -6.563 -3.789 -1.981) 7.833 9.085 ( 7.847 4.530 -4.418) 10.080 10.687 ( -13.605 -7.855 2.726) 15.944 10.707 ( -18.877 -10.899 -3.171) 22.027 11.576 ( 11.109 6.414 7.136) 14.679 11.713 ( 13.183 7.611 11.053) 18.812 11.886 ( -2.561 -1.478 -11.786) 12.152 12.465 ( 24.330 14.047 -14.103) 31.435 14.843 ( -15.272 -8.817 15.198) 23.280 15.083 ( -9.371 -5.410 22.521) 24.985 15.361 ( -13.548 -7.822 -10.667) 18.935 15.557 ( 11.462 6.617 19.784) 23.803 16.216 ( 2.861 1.652 -17.865) 18.167 16.328 ( 3.277 1.892 -16.767) 17.188 17.567 ( 0.016 0.009 3.292) 3.292 17.631 ( -0.554 -0.320 -0.139) 0.655 ======================= Grid point 536 (139/146) ======================= q-point: ( 0.55 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 1.717 0.991 18.981) 19.084 2.697 ( 2.489 1.437 25.037) 25.201 3.048 ( -1.456 -0.841 -17.907) 17.986 3.260 ( -2.248 -1.298 1.502) 2.999 3.399 ( 5.033 2.906 -7.859) 9.774 3.704 ( 8.554 4.939 -19.942) 22.254 4.902 ( -18.062 -10.428 10.926) 23.545 5.225 ( -4.529 -2.615 10.139) 11.408 5.588 ( -4.509 -2.603 2.099) 5.614 5.804 ( -0.597 -0.345 -19.818) 19.830 6.577 ( 4.934 2.848 1.346) 5.854 6.725 ( 10.545 6.088 2.464) 12.423 8.454 ( -5.228 -3.018 8.111) 10.111 8.637 ( -3.228 -1.864 -2.455) 4.464 8.720 ( 1.134 0.655 16.886) 16.936 9.220 ( 6.820 3.938 -4.229) 8.939 10.258 ( -18.126 -10.465 -6.472) 21.907 10.448 ( -8.622 -4.978 0.622) 9.975 11.594 ( -3.413 -1.971 -11.301) 11.969 12.077 ( 13.500 7.794 10.971) 19.062 12.126 ( 18.831 10.872 10.376) 24.093 12.893 ( 21.021 12.136 -12.359) 27.238 14.594 ( -15.973 -9.222 16.576) 24.798 14.867 ( -20.248 -11.690 -16.501) 28.617 15.006 ( -11.648 -6.725 20.469) 24.492 15.794 ( -0.107 -0.062 13.042) 13.042 16.218 ( 5.968 3.446 -15.860) 17.292 16.364 ( 9.059 5.230 -10.196) 14.608 17.577 ( -0.681 -0.393 1.920) 2.075 17.614 ( -0.802 -0.463 -0.218) 0.951 ======================= Grid point 537 (140/146) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 3.904 2.254 12.713) 13.489 2.884 ( 1.812 1.046 20.568) 20.675 2.961 ( 1.567 0.905 -14.207) 14.322 3.274 ( 1.677 0.968 8.809) 9.019 3.417 ( 2.428 1.402 -11.108) 11.456 3.753 ( 5.209 3.007 -17.231) 18.250 4.457 ( -22.176 -12.803 5.690) 26.232 5.021 ( -9.967 -5.754 -9.802) 15.117 5.677 ( -0.500 -0.289 -17.032) 17.042 5.861 ( 14.544 8.397 20.661) 26.625 6.514 ( -7.174 -4.142 -5.785) 10.104 7.008 ( 9.982 5.763 7.103) 13.539 8.349 ( -7.321 -4.227 6.580) 10.712 8.569 ( -2.316 -1.337 -3.334) 4.274 8.817 ( -2.552 -1.474 18.098) 18.336 9.338 ( 5.870 3.389 -1.680) 6.983 9.864 ( -12.971 -7.489 -8.357) 17.151 10.312 ( -3.008 -1.737 -4.659) 5.811 11.459 ( -1.971 -1.138 -11.097) 11.328 12.433 ( 12.804 7.392 9.623) 17.641 12.613 ( 16.300 9.411 13.648) 23.249 13.209 ( 13.122 7.576 -7.858) 17.068 14.278 ( -20.555 -11.868 -20.293) 31.228 14.371 ( -13.250 -7.650 17.176) 23.002 14.896 ( -9.391 -5.422 18.221) 21.204 15.760 ( -5.861 -3.384 3.156) 7.468 16.250 ( 5.247 3.029 -15.039) 16.213 16.568 ( 11.190 6.461 -1.321) 12.989 17.560 ( -1.587 -0.916 0.429) 1.882 17.593 ( -0.924 -0.533 -0.525) 1.189 ======================= Grid point 546 (141/146) ======================= q-point: ( 0.45 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -0.000 -1.103 24.081) 24.107 2.647 ( -0.000 9.564 27.106) 28.744 3.104 ( 0.000 -9.297 -19.765) 21.842 3.305 ( 0.000 -0.366 -1.447) 1.493 3.333 ( 0.000 3.522 -1.908) 4.006 3.464 ( 0.000 6.723 -24.796) 25.691 4.999 ( -0.000 3.542 25.790) 26.032 5.535 ( -0.000 -21.388 5.942) 22.198 5.715 ( 0.000 -21.880 -11.441) 24.691 5.968 ( 0.000 2.217 -18.302) 18.436 6.254 ( -0.000 11.464 10.170) 15.325 6.562 ( 0.000 17.872 -5.079) 18.579 8.503 ( -0.000 -4.315 10.732) 11.567 8.711 ( -0.000 8.366 14.586) 16.815 8.760 ( 0.000 -6.130 -3.114) 6.876 9.032 ( 0.000 7.292 -7.589) 10.524 10.605 ( -0.000 -26.076 2.635) 26.208 10.781 ( 0.000 -14.481 -2.470) 14.690 11.397 ( -0.000 -6.255 8.382) 10.458 11.894 ( -0.000 21.766 11.776) 24.747 12.079 ( 0.000 21.207 -14.858) 25.894 12.230 ( 0.000 18.730 -11.575) 22.018 14.819 ( -0.000 -26.253 17.185) 31.377 15.309 ( 0.000 -11.929 -8.406) 14.593 15.503 ( -0.000 6.499 16.638) 17.863 15.553 ( -0.000 4.621 20.890) 21.395 15.954 ( 0.000 -9.316 -19.335) 21.462 16.312 ( 0.000 11.690 -17.555) 21.091 17.586 ( -0.000 -0.144 2.694) 2.698 17.627 ( 0.000 -0.960 -0.279) 1.000 ======================= Grid point 547 (142/146) ======================= q-point: ( 0.55 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( -1.336 2.103 20.342) 20.494 2.867 ( -1.457 1.796 11.963) 12.185 2.925 ( 0.674 -0.119 -6.347) 6.384 3.266 ( -0.193 -0.291 -8.222) 8.229 3.350 ( 0.305 4.582 -1.891) 4.966 3.477 ( 8.485 3.692 -16.081) 18.553 5.121 ( -10.658 -8.923 15.184) 20.586 5.300 ( -7.465 -15.653 0.947) 17.368 5.469 ( 6.720 -15.163 6.768) 17.913 5.804 ( -7.147 8.716 -20.609) 23.490 6.548 ( 13.473 6.172 8.492) 17.080 6.684 ( -1.136 13.620 -5.761) 14.832 8.517 ( -0.861 -4.823 8.266) 9.609 8.634 ( -4.511 -4.864 -3.621) 7.558 8.883 ( -0.872 9.188 13.731) 16.545 9.102 ( 6.667 4.904 -9.140) 12.330 10.369 ( -0.353 -23.440 2.526) 23.578 10.428 ( -18.362 -12.485 -3.862) 22.538 11.638 ( 24.300 -7.389 9.410) 27.086 11.825 ( -18.862 17.303 -9.658) 27.358 12.364 ( 4.360 27.845 10.788) 30.178 12.601 ( 20.850 18.073 -13.618) 30.770 14.644 ( -3.494 -26.063 17.916) 31.819 14.955 ( -16.478 -14.390 -15.019) 26.536 15.418 ( -18.808 3.857 18.161) 26.427 15.689 ( 7.392 -13.212 -5.395) 16.072 16.049 ( 14.076 5.399 6.169) 16.290 16.310 ( -0.523 12.351 -16.322) 20.475 17.593 ( -0.487 -0.606 1.715) 1.883 17.612 ( -0.212 -1.201 -0.385) 1.278 ======================= Grid point 548 (143/146) ======================= q-point: ( 0.64 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( -1.529 4.672 13.929) 14.772 2.817 ( 4.541 -0.168 -13.084) 13.850 3.041 ( -2.043 3.199 18.567) 18.951 3.226 ( 4.600 -2.346 -9.978) 11.235 3.403 ( -0.855 6.109 4.115) 7.415 3.555 ( 7.854 2.169 -13.844) 16.064 4.738 ( -22.326 -16.323 7.888) 28.760 4.954 ( -5.848 -21.355 -8.357) 23.666 5.669 ( -4.631 11.081 -18.060) 21.688 5.775 ( 15.649 1.913 18.880) 24.597 6.663 ( -9.564 10.162 -5.690) 15.070 6.878 ( 14.409 1.277 6.080) 15.691 8.449 ( -6.257 -4.327 3.424) 8.342 8.524 ( -0.241 -6.481 -1.720) 6.709 9.011 ( -3.890 6.990 13.464) 15.661 9.210 ( 8.663 1.996 -7.860) 11.867 10.001 ( -16.950 -7.251 -4.807) 19.053 10.201 ( 2.170 -16.629 -0.149) 16.771 11.635 ( -15.858 16.974 -10.120) 25.338 12.067 ( 27.276 -7.745 10.313) 30.171 12.766 ( 4.754 24.010 11.717) 27.136 12.994 ( 17.139 12.385 -10.018) 23.399 14.382 ( -21.356 -13.572 -19.537) 31.968 14.456 ( -4.227 -22.406 17.848) 28.956 15.241 ( -17.859 1.825 15.818) 23.927 15.624 ( 7.010 -15.537 -8.845) 19.204 16.265 ( -3.064 13.841 -6.145) 15.451 16.426 ( 12.883 4.894 1.465) 13.859 17.578 ( -1.383 -1.028 0.607) 1.827 17.592 ( -0.450 -1.255 -0.753) 1.531 ======================= Grid point 558 (144/146) ======================= q-point: ( 0.55 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( -0.000 -0.258 12.308) 12.311 2.750 ( 0.000 -0.227 -11.368) 11.370 3.089 ( -0.000 2.698 6.358) 6.906 3.206 ( 0.000 4.741 -8.334) 9.588 3.338 ( 0.000 1.829 -5.771) 6.054 3.431 ( -0.000 6.479 6.070) 8.878 5.094 ( 0.000 -28.350 -9.341) 29.849 5.219 ( -0.000 -18.359 5.678) 19.217 5.390 ( -0.000 3.330 23.779) 24.012 5.854 ( 0.000 10.767 -20.452) 23.113 6.493 ( -0.000 1.503 8.056) 8.195 6.823 ( 0.000 15.884 -5.492) 16.807 8.512 ( -0.000 -5.911 4.451) 7.400 8.619 ( 0.000 -4.172 -2.705) 4.972 8.995 ( 0.000 3.672 -9.024) 9.743 9.083 ( -0.000 10.831 7.012) 12.903 10.155 ( -0.000 -23.634 4.529) 24.064 10.472 ( 0.000 -13.299 -1.982) 13.446 11.396 ( -0.000 -4.560 9.172) 10.243 12.254 ( 0.000 14.720 -5.999) 15.896 12.362 ( 0.000 25.111 -14.556) 29.025 12.685 ( -0.000 26.384 8.090) 27.596 14.526 ( -0.000 -27.739 19.352) 33.823 14.882 ( 0.000 -16.484 -14.088) 21.684 15.371 ( 0.000 -14.482 -16.449) 21.916 15.810 ( -0.000 -2.521 12.562) 12.813 15.940 ( -0.000 7.833 12.302) 14.584 16.362 ( 0.000 13.599 -10.905) 17.431 17.597 ( 0.000 -1.607 -0.342) 1.643 17.601 ( -0.000 -0.820 1.298) 1.535 ======================= Grid point 668 (145/146) ======================= q-point: ( 0.45 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( -0.000 -0.000 26.751) 26.751 2.654 ( -0.000 -0.000 26.751) 26.751 3.145 ( 0.000 0.000 -25.464) 25.464 3.145 ( 0.000 0.000 -25.464) 25.464 3.292 ( -0.000 -0.000 0.952) 0.952 3.301 ( 0.000 0.000 -1.057) 1.057 5.134 ( -0.000 -0.000 27.949) 27.949 5.659 ( 0.000 0.000 -27.051) 27.051 6.011 ( -0.000 0.000 9.157) 9.157 6.011 ( -0.000 -0.000 9.157) 9.157 6.167 ( 0.000 0.000 -7.351) 7.351 6.167 ( 0.000 0.000 -7.351) 7.351 8.667 ( -0.000 0.000 11.942) 11.942 8.667 ( -0.000 -0.000 11.942) 11.942 8.849 ( 0.000 0.000 -7.245) 7.245 8.849 ( 0.000 0.000 -7.245) 7.245 10.928 ( -0.000 -0.000 1.819) 1.819 10.963 ( 0.000 0.000 -1.916) 1.916 11.602 ( -0.000 -0.000 12.595) 12.595 11.602 ( -0.000 -0.000 12.595) 12.595 11.858 ( 0.000 0.000 -14.350) 14.350 11.858 ( 0.000 0.000 -14.350) 14.350 15.224 ( -0.000 -0.000 9.830) 9.830 15.403 ( 0.000 0.000 -9.186) 9.186 15.566 ( -0.000 -0.000 23.714) 23.714 15.566 ( -0.000 -0.000 23.714) 23.714 15.990 ( 0.000 0.000 -21.194) 21.194 15.990 ( 0.000 0.000 -21.194) 21.194 17.603 ( -0.000 -0.000 2.319) 2.319 17.631 ( 0.000 0.000 -0.785) 0.785 ======================= Grid point 669 (146/146) ======================= q-point: ( 0.55 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -4.861 -2.806 23.330) 23.995 2.848 ( -4.225 -2.439 -23.410) 23.913 2.958 ( 4.414 2.548 26.533) 27.018 3.136 ( 6.164 3.559 -23.106) 24.177 3.301 ( 0.180 0.104 1.237) 1.254 3.341 ( 4.821 2.784 -4.132) 6.933 5.314 ( -1.801 -1.040 24.083) 24.172 5.501 ( 1.279 0.738 -26.339) 26.381 5.646 ( -20.595 -11.891 6.451) 24.641 5.771 ( -12.123 -6.999 -2.862) 14.288 6.406 ( 10.850 6.264 -1.323) 12.598 6.455 ( 15.662 9.043 1.637) 18.159 8.646 ( -4.192 -2.420 6.975) 8.490 8.680 ( -4.693 -2.710 -5.725) 7.884 8.841 ( 4.280 2.471 12.381) 13.331 8.947 ( 7.990 4.613 -10.088) 13.670 10.653 ( -21.334 -12.317 -2.622) 24.774 10.735 ( -13.246 -7.648 2.490) 15.497 11.575 ( -6.576 -3.796 -9.186) 11.918 11.839 ( 16.781 9.688 9.258) 21.475 11.930 ( 12.003 6.930 10.765) 17.550 12.207 ( 25.135 14.512 -12.090) 31.441 15.102 ( -12.775 -7.376 12.532) 19.356 15.111 ( -18.218 -10.518 -13.771) 25.142 15.523 ( -11.000 -6.351 20.756) 24.334 15.876 ( 6.123 3.535 -17.239) 18.633 15.886 ( 2.537 1.464 2.674) 3.966 16.026 ( 12.300 7.101 -3.167) 14.552 17.611 ( -0.461 -0.266 1.479) 1.572 17.621 ( -0.402 -0.232 -1.068) 1.165 =================== 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 3/39930 10.0 12053.837 12053.837 12998.252 0.000 -0.000 0.000 3/39930 20.0 3375.080 3375.080 3309.786 0.000 -0.000 0.000 3/39930 30.0 1117.941 1117.941 1071.748 0.000 -0.000 0.000 3/39930 40.0 549.254 549.254 513.792 0.000 -0.000 0.000 3/39930 50.0 327.947 327.947 301.258 0.000 -0.000 0.000 3/39930 60.0 219.486 219.486 199.479 0.000 -0.000 0.000 3/39930 70.0 158.457 158.457 143.245 0.000 -0.000 0.000 3/39930 80.0 120.706 120.706 108.910 0.000 -0.000 0.000 3/39930 90.0 95.687 95.687 86.348 0.000 -0.000 0.000 3/39930 100.0 78.223 78.223 70.680 0.000 -0.000 0.000 3/39930 110.0 65.531 65.531 59.323 0.000 -0.000 0.000 3/39930 120.0 56.005 56.005 50.808 0.000 -0.000 0.000 3/39930 130.0 48.666 48.666 44.244 0.000 -0.000 0.000 3/39930 140.0 42.883 42.883 39.068 0.000 -0.000 0.000 3/39930 150.0 38.239 38.239 34.905 0.000 -0.000 0.000 3/39930 160.0 34.447 34.447 31.501 0.000 -0.000 0.000 3/39930 170.0 31.306 31.306 28.676 0.000 -0.000 0.000 3/39930 180.0 28.670 28.670 26.301 0.000 -0.000 0.000 3/39930 190.0 26.432 26.432 24.281 0.000 -0.000 0.000 3/39930 200.0 24.512 24.512 22.545 0.000 -0.000 0.000 3/39930 210.0 22.849 22.849 21.039 0.000 -0.000 0.000 3/39930 220.0 21.397 21.397 19.723 0.000 -0.000 0.000 3/39930 230.0 20.119 20.119 18.562 0.000 -0.000 0.000 3/39930 240.0 18.986 18.986 17.532 0.000 -0.000 0.000 3/39930 250.0 17.976 17.976 16.613 0.000 -0.000 0.000 3/39930 260.0 17.070 17.070 15.787 0.000 -0.000 0.000 3/39930 270.0 16.253 16.253 15.041 0.000 -0.000 0.000 3/39930 280.0 15.512 15.512 14.364 0.000 -0.000 0.000 3/39930 290.0 14.838 14.838 13.747 0.000 -0.000 0.000 3/39930 300.0 14.221 14.221 13.183 0.000 -0.000 0.000 3/39930 310.0 13.655 13.655 12.665 0.000 -0.000 0.000 3/39930 320.0 13.134 13.134 12.187 0.000 -0.000 0.000 3/39930 330.0 12.653 12.653 11.745 0.000 -0.000 0.000 3/39930 340.0 12.207 12.207 11.335 0.000 -0.000 0.000 3/39930 350.0 11.792 11.792 10.954 0.000 -0.000 0.000 3/39930 360.0 11.406 11.406 10.599 0.000 -0.000 0.000 3/39930 370.0 11.044 11.044 10.266 0.000 -0.000 0.000 3/39930 380.0 10.706 10.706 9.955 0.000 -0.000 0.000 3/39930 390.0 10.389 10.389 9.663 0.000 -0.000 0.000 3/39930 400.0 10.091 10.091 9.388 0.000 -0.000 0.000 3/39930 410.0 9.810 9.810 9.128 0.000 -0.000 0.000 3/39930 420.0 9.544 9.544 8.883 0.000 -0.000 0.000 3/39930 430.0 9.293 9.293 8.652 0.000 -0.000 0.000 3/39930 440.0 9.056 9.056 8.432 0.000 -0.000 0.000 3/39930 450.0 8.830 8.830 8.224 0.000 -0.000 0.000 3/39930 460.0 8.616 8.616 8.026 0.000 -0.000 0.000 3/39930 470.0 8.413 8.413 7.838 0.000 -0.000 0.000 3/39930 480.0 8.219 8.219 7.658 0.000 -0.000 0.000 3/39930 490.0 8.034 8.034 7.487 0.000 -0.000 0.000 3/39930 500.0 7.857 7.857 7.324 0.000 -0.000 0.000 3/39930 510.0 7.689 7.689 7.167 0.000 -0.000 0.000 3/39930 520.0 7.527 7.527 7.018 0.000 -0.000 0.000 3/39930 530.0 7.373 7.373 6.875 0.000 -0.000 0.000 3/39930 540.0 7.225 7.225 6.737 0.000 -0.000 0.000 3/39930 550.0 7.083 7.083 6.605 0.000 -0.000 0.000 3/39930 560.0 6.946 6.946 6.479 0.000 -0.000 0.000 3/39930 570.0 6.815 6.815 6.357 0.000 -0.000 0.000 3/39930 580.0 6.689 6.689 6.240 0.000 -0.000 0.000 3/39930 590.0 6.567 6.567 6.127 0.000 -0.000 0.000 3/39930 600.0 6.450 6.450 6.018 0.000 -0.000 0.000 3/39930 610.0 6.337 6.337 5.914 0.000 -0.000 0.000 3/39930 620.0 6.228 6.228 5.812 0.000 -0.000 0.000 3/39930 630.0 6.123 6.123 5.715 0.000 -0.000 0.000 3/39930 640.0 6.022 6.022 5.620 0.000 -0.000 0.000 3/39930 650.0 5.924 5.924 5.529 0.000 -0.000 0.000 3/39930 660.0 5.829 5.829 5.441 0.000 -0.000 0.000 3/39930 670.0 5.737 5.737 5.356 0.000 -0.000 0.000 3/39930 680.0 5.648 5.648 5.273 0.000 -0.000 0.000 3/39930 690.0 5.562 5.562 5.193 0.000 -0.000 0.000 3/39930 700.0 5.478 5.478 5.115 0.000 -0.000 0.000 3/39930 710.0 5.397 5.397 5.040 0.000 -0.000 0.000 3/39930 720.0 5.318 5.318 4.966 0.000 -0.000 0.000 3/39930 730.0 5.242 5.242 4.895 0.000 -0.000 0.000 3/39930 740.0 5.168 5.168 4.826 0.000 -0.000 0.000 3/39930 750.0 5.096 5.096 4.759 0.000 -0.000 0.000 3/39930 760.0 5.026 5.026 4.694 0.000 -0.000 0.000 3/39930 770.0 4.958 4.958 4.631 0.000 -0.000 0.000 3/39930 780.0 4.892 4.892 4.569 0.000 -0.000 0.000 3/39930 790.0 4.827 4.827 4.509 0.000 -0.000 0.000 3/39930 800.0 4.765 4.765 4.451 0.000 -0.000 0.000 3/39930 810.0 4.704 4.704 4.394 0.000 -0.000 0.000 3/39930 820.0 4.644 4.644 4.338 0.000 -0.000 0.000 3/39930 830.0 4.586 4.586 4.284 0.000 -0.000 0.000 3/39930 840.0 4.529 4.529 4.232 0.000 -0.000 0.000 3/39930 850.0 4.474 4.474 4.180 0.000 -0.000 0.000 3/39930 860.0 4.420 4.420 4.130 0.000 -0.000 0.000 3/39930 870.0 4.368 4.368 4.081 0.000 -0.000 0.000 3/39930 880.0 4.317 4.317 4.033 0.000 -0.000 0.000 3/39930 890.0 4.267 4.267 3.987 0.000 -0.000 0.000 3/39930 900.0 4.218 4.218 3.941 0.000 -0.000 0.000 3/39930 910.0 4.170 4.170 3.897 0.000 -0.000 0.000 3/39930 920.0 4.123 4.123 3.853 0.000 -0.000 0.000 3/39930 930.0 4.078 4.078 3.810 0.000 -0.000 0.000 3/39930 940.0 4.033 4.033 3.769 0.000 -0.000 0.000 3/39930 950.0 3.989 3.989 3.728 0.000 -0.000 0.000 3/39930 960.0 3.947 3.947 3.688 0.000 -0.000 0.000 3/39930 970.0 3.905 3.905 3.649 0.000 -0.000 0.000 3/39930 980.0 3.864 3.864 3.611 0.000 -0.000 0.000 3/39930 990.0 3.824 3.824 3.574 0.000 -0.000 0.000 3/39930 1000.0 3.785 3.785 3.537 0.000 -0.000 0.000 3/39930 Thermal conductivity related properties were written into "kappa-m111111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:08:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|