----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:15:49]------------------------- 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: [1 4 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.156525289999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.369899120000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.267624800000001 Atomic positions (fractional): *1 Li 0.06717521183068 0.25000000000000 0.09679349508441 6.941 2 Li 0.93282478816932 0.75000000000000 0.90320650491559 6.941 3 Li 0.43282478816932 0.75000000000000 0.59679349508441 6.941 4 Li 0.56717521183068 0.25000000000000 0.40320650491559 6.941 *5 O 0.20509289186159 0.25000000000000 0.30804402502453 15.999 6 O 0.79490710813841 0.75000000000000 0.69195597497547 15.999 7 O 0.29490710813841 0.75000000000000 0.80804402502453 15.999 8 O 0.70509289186159 0.25000000000000 0.19195597497546 15.999 *9 O 0.52579462024054 0.25000000000000 0.75775644098850 15.999 10 O 0.47420537975946 0.75000000000000 0.24224355901150 15.999 11 O 0.97420537975946 0.75000000000000 0.25775644098850 15.999 12 O 0.02579462024053 0.25000000000000 0.74224355901150 15.999 *13 Tb 0.85999758453368 0.25000000000000 0.45242681721660 158.925 14 Tb 0.14000241546632 0.75000000000000 0.54757318278340 158.925 15 Tb 0.64000241546632 0.75000000000000 0.95242681721660 158.925 16 Tb 0.35999758453368 0.25000000000000 0.04757318278340 158.925 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.156525289999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.369899120000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.267624800000001 Atomic positions (fractional): *1 Li 0.06717521183068 0.25000000000000 0.09679349508441 6.941 > 1 2 Li 0.93282478816932 0.75000000000000 0.90320650491559 6.941 > 2 3 Li 0.43282478816932 0.75000000000000 0.59679349508441 6.941 > 3 4 Li 0.56717521183068 0.25000000000000 0.40320650491559 6.941 > 4 *5 O 0.20509289186159 0.25000000000000 0.30804402502453 15.999 > 5 6 O 0.79490710813841 0.75000000000000 0.69195597497547 15.999 > 6 7 O 0.29490710813841 0.75000000000000 0.80804402502453 15.999 > 7 8 O 0.70509289186159 0.25000000000000 0.19195597497546 15.999 > 8 *9 O 0.52579462024054 0.25000000000000 0.75775644098850 15.999 > 9 10 O 0.47420537975946 0.75000000000000 0.24224355901150 15.999 > 10 11 O 0.97420537975946 0.75000000000000 0.25775644098850 15.999 > 11 12 O 0.02579462024053 0.25000000000000 0.74224355901150 15.999 > 12 *13 Tb 0.85999758453368 0.25000000000000 0.45242681721660 158.925 > 13 14 Tb 0.14000241546632 0.75000000000000 0.54757318278340 158.925 > 14 15 Tb 0.64000241546632 0.75000000000000 0.95242681721660 158.925 > 15 16 Tb 0.35999758453368 0.25000000000000 0.04757318278340 158.925 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.156525289999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.479596480000003 0.000000000000000 c 0.000000000000000 0.000000000000000 10.535249600000002 Atomic positions (fractional): *1 Li 0.06717521183068 0.06250000000000 0.04839674754221 6.941 > 1 2 Li 0.06717521183068 0.31250000000000 0.04839674754221 6.941 > 1 3 Li 0.06717521183068 0.56250000000000 0.04839674754221 6.941 > 1 4 Li 0.06717521183068 0.81250000000000 0.04839674754221 6.941 > 1 5 Li 0.06717521183068 0.06250000000000 0.54839674754221 6.941 > 1 6 Li 0.06717521183068 0.31250000000000 0.54839674754221 6.941 > 1 7 Li 0.06717521183068 0.56250000000000 0.54839674754221 6.941 > 1 8 Li 0.06717521183068 0.81250000000000 0.54839674754221 6.941 > 1 9 Li 0.93282478816932 0.18750000000000 0.45160325245779 6.941 > 2 10 Li 0.93282478816932 0.43750000000000 0.45160325245779 6.941 > 2 11 Li 0.93282478816932 0.68750000000000 0.45160325245779 6.941 > 2 12 Li 0.93282478816932 0.93750000000000 0.45160325245779 6.941 > 2 13 Li 0.93282478816932 0.18750000000000 0.95160325245779 6.941 > 2 14 Li 0.93282478816932 0.43750000000000 0.95160325245779 6.941 > 2 15 Li 0.93282478816932 0.68750000000000 0.95160325245779 6.941 > 2 16 Li 0.93282478816932 0.93750000000000 0.95160325245779 6.941 > 2 17 Li 0.43282478816932 0.18750000000000 0.29839674754221 6.941 > 3 18 Li 0.43282478816932 0.43750000000000 0.29839674754221 6.941 > 3 19 Li 0.43282478816932 0.68750000000000 0.29839674754221 6.941 > 3 20 Li 0.43282478816932 0.93750000000000 0.29839674754221 6.941 > 3 21 Li 0.43282478816932 0.18750000000000 0.79839674754221 6.941 > 3 22 Li 0.43282478816932 0.43750000000000 0.79839674754221 6.941 > 3 23 Li 0.43282478816932 0.68750000000000 0.79839674754221 6.941 > 3 24 Li 0.43282478816932 0.93750000000000 0.79839674754221 6.941 > 3 25 Li 0.56717521183068 0.06250000000000 0.20160325245779 6.941 > 4 26 Li 0.56717521183068 0.31250000000000 0.20160325245779 6.941 > 4 27 Li 0.56717521183068 0.56250000000000 0.20160325245779 6.941 > 4 28 Li 0.56717521183068 0.81250000000000 0.20160325245779 6.941 > 4 29 Li 0.56717521183068 0.06250000000000 0.70160325245779 6.941 > 4 30 Li 0.56717521183068 0.31250000000000 0.70160325245779 6.941 > 4 31 Li 0.56717521183068 0.56250000000000 0.70160325245779 6.941 > 4 32 Li 0.56717521183068 0.81250000000000 0.70160325245779 6.941 > 4 *33 O 0.20509289186159 0.06250000000000 0.15402201251227 15.999 > 5 34 O 0.20509289186159 0.31250000000000 0.15402201251227 15.999 > 5 35 O 0.20509289186159 0.56250000000000 0.15402201251227 15.999 > 5 36 O 0.20509289186159 0.81250000000000 0.15402201251227 15.999 > 5 37 O 0.20509289186159 0.06250000000000 0.65402201251227 15.999 > 5 38 O 0.20509289186159 0.31250000000000 0.65402201251227 15.999 > 5 39 O 0.20509289186159 0.56250000000000 0.65402201251227 15.999 > 5 40 O 0.20509289186159 0.81250000000000 0.65402201251227 15.999 > 5 41 O 0.79490710813841 0.18750000000000 0.34597798748773 15.999 > 6 42 O 0.79490710813841 0.43750000000000 0.34597798748773 15.999 > 6 43 O 0.79490710813841 0.68750000000000 0.34597798748773 15.999 > 6 44 O 0.79490710813841 0.93750000000000 0.34597798748773 15.999 > 6 45 O 0.79490710813841 0.18750000000000 0.84597798748773 15.999 > 6 46 O 0.79490710813841 0.43750000000000 0.84597798748773 15.999 > 6 47 O 0.79490710813841 0.68750000000000 0.84597798748773 15.999 > 6 48 O 0.79490710813841 0.93750000000000 0.84597798748773 15.999 > 6 49 O 0.29490710813841 0.18750000000000 0.40402201251227 15.999 > 7 50 O 0.29490710813841 0.43750000000000 0.40402201251227 15.999 > 7 51 O 0.29490710813841 0.68750000000000 0.40402201251227 15.999 > 7 52 O 0.29490710813841 0.93750000000000 0.40402201251227 15.999 > 7 53 O 0.29490710813841 0.18750000000000 0.90402201251227 15.999 > 7 54 O 0.29490710813841 0.43750000000000 0.90402201251227 15.999 > 7 55 O 0.29490710813841 0.68750000000000 0.90402201251227 15.999 > 7 56 O 0.29490710813841 0.93750000000000 0.90402201251227 15.999 > 7 57 O 0.70509289186159 0.06250000000000 0.09597798748773 15.999 > 8 58 O 0.70509289186159 0.31250000000000 0.09597798748773 15.999 > 8 59 O 0.70509289186159 0.56250000000000 0.09597798748773 15.999 > 8 60 O 0.70509289186159 0.81250000000000 0.09597798748773 15.999 > 8 61 O 0.70509289186159 0.06250000000000 0.59597798748773 15.999 > 8 62 O 0.70509289186159 0.31250000000000 0.59597798748773 15.999 > 8 63 O 0.70509289186159 0.56250000000000 0.59597798748773 15.999 > 8 64 O 0.70509289186159 0.81250000000000 0.59597798748773 15.999 > 8 *65 O 0.52579462024054 0.06250000000000 0.37887822049425 15.999 > 9 66 O 0.52579462024054 0.31250000000000 0.37887822049425 15.999 > 9 67 O 0.52579462024054 0.56250000000000 0.37887822049425 15.999 > 9 68 O 0.52579462024054 0.81250000000000 0.37887822049425 15.999 > 9 69 O 0.52579462024054 0.06250000000000 0.87887822049425 15.999 > 9 70 O 0.52579462024054 0.31250000000000 0.87887822049425 15.999 > 9 71 O 0.52579462024054 0.56250000000000 0.87887822049425 15.999 > 9 72 O 0.52579462024054 0.81250000000000 0.87887822049425 15.999 > 9 73 O 0.47420537975946 0.18750000000000 0.12112177950575 15.999 > 10 74 O 0.47420537975946 0.43750000000000 0.12112177950575 15.999 > 10 75 O 0.47420537975946 0.68750000000000 0.12112177950575 15.999 > 10 76 O 0.47420537975946 0.93750000000000 0.12112177950575 15.999 > 10 77 O 0.47420537975946 0.18750000000000 0.62112177950575 15.999 > 10 78 O 0.47420537975946 0.43750000000000 0.62112177950575 15.999 > 10 79 O 0.47420537975946 0.68750000000000 0.62112177950575 15.999 > 10 80 O 0.47420537975946 0.93750000000000 0.62112177950575 15.999 > 10 81 O 0.97420537975946 0.18750000000000 0.12887822049425 15.999 > 11 82 O 0.97420537975946 0.43750000000000 0.12887822049425 15.999 > 11 83 O 0.97420537975946 0.68750000000000 0.12887822049425 15.999 > 11 84 O 0.97420537975946 0.93750000000000 0.12887822049425 15.999 > 11 85 O 0.97420537975946 0.18750000000000 0.62887822049425 15.999 > 11 86 O 0.97420537975946 0.43750000000000 0.62887822049425 15.999 > 11 87 O 0.97420537975946 0.68750000000000 0.62887822049425 15.999 > 11 88 O 0.97420537975946 0.93750000000000 0.62887822049425 15.999 > 11 89 O 0.02579462024053 0.06250000000000 0.37112177950575 15.999 > 12 90 O 0.02579462024053 0.31250000000000 0.37112177950575 15.999 > 12 91 O 0.02579462024053 0.56250000000000 0.37112177950575 15.999 > 12 92 O 0.02579462024053 0.81250000000000 0.37112177950575 15.999 > 12 93 O 0.02579462024053 0.06250000000000 0.87112177950575 15.999 > 12 94 O 0.02579462024053 0.31250000000000 0.87112177950575 15.999 > 12 95 O 0.02579462024053 0.56250000000000 0.87112177950575 15.999 > 12 96 O 0.02579462024053 0.81250000000000 0.87112177950575 15.999 > 12 *97 Tb 0.85999758453368 0.06250000000000 0.22621340860830 158.925 > 13 98 Tb 0.85999758453368 0.31250000000000 0.22621340860830 158.925 > 13 99 Tb 0.85999758453368 0.56250000000000 0.22621340860830 158.925 > 13 100 Tb 0.85999758453368 0.81250000000000 0.22621340860830 158.925 > 13 101 Tb 0.85999758453368 0.06250000000000 0.72621340860830 158.925 > 13 102 Tb 0.85999758453368 0.31250000000000 0.72621340860830 158.925 > 13 103 Tb 0.85999758453368 0.56250000000000 0.72621340860830 158.925 > 13 104 Tb 0.85999758453368 0.81250000000000 0.72621340860830 158.925 > 13 105 Tb 0.14000241546632 0.18750000000000 0.27378659139170 158.925 > 14 106 Tb 0.14000241546632 0.43750000000000 0.27378659139170 158.925 > 14 107 Tb 0.14000241546632 0.68750000000000 0.27378659139170 158.925 > 14 108 Tb 0.14000241546632 0.93750000000000 0.27378659139170 158.925 > 14 109 Tb 0.14000241546632 0.18750000000000 0.77378659139170 158.925 > 14 110 Tb 0.14000241546632 0.43750000000000 0.77378659139170 158.925 > 14 111 Tb 0.14000241546632 0.68750000000000 0.77378659139170 158.925 > 14 112 Tb 0.14000241546632 0.93750000000000 0.77378659139170 158.925 > 14 113 Tb 0.64000241546632 0.18750000000000 0.47621340860830 158.925 > 15 114 Tb 0.64000241546632 0.43750000000000 0.47621340860830 158.925 > 15 115 Tb 0.64000241546632 0.68750000000000 0.47621340860830 158.925 > 15 116 Tb 0.64000241546632 0.93750000000000 0.47621340860830 158.925 > 15 117 Tb 0.64000241546632 0.18750000000000 0.97621340860830 158.925 > 15 118 Tb 0.64000241546632 0.43750000000000 0.97621340860830 158.925 > 15 119 Tb 0.64000241546632 0.68750000000000 0.97621340860830 158.925 > 15 120 Tb 0.64000241546632 0.93750000000000 0.97621340860830 158.925 > 15 121 Tb 0.35999758453368 0.06250000000000 0.02378659139170 158.925 > 16 122 Tb 0.35999758453368 0.31250000000000 0.02378659139170 158.925 > 16 123 Tb 0.35999758453368 0.56250000000000 0.02378659139170 158.925 > 16 124 Tb 0.35999758453368 0.81250000000000 0.02378659139170 158.925 > 16 125 Tb 0.35999758453368 0.06250000000000 0.52378659139170 158.925 > 16 126 Tb 0.35999758453368 0.31250000000000 0.52378659139170 158.925 > 16 127 Tb 0.35999758453368 0.56250000000000 0.52378659139170 158.925 > 16 128 Tb 0.35999758453368 0.81250000000000 0.52378659139170 158.925 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9167677 0.0000000 0.0000000 0.0000000 4.1381817 0.0000000 0.0000000 0.0000000 3.6275848 -------------------------- Born effective charges -------------------------- 1 Li 0.9158372 0.0000000 -0.0169774 0.0000000 0.9332029 0.0000000 0.0082985 0.0000000 1.1410621 2 Li 0.9158372 0.0000000 -0.0169774 0.0000000 0.9332029 0.0000000 0.0082985 0.0000000 1.1410621 3 Li 0.9158372 0.0000000 0.0169774 0.0000000 0.9332029 0.0000000 -0.0082985 0.0000000 1.1410621 4 Li 0.9158372 0.0000000 0.0169774 0.0000000 0.9332029 0.0000000 -0.0082985 0.0000000 1.1410621 5 O -2.3837804 0.0000000 0.8909769 0.0000000 -2.6196979 0.0000000 0.9115358 0.0000000 -2.3339395 6 O -2.3837804 0.0000000 0.8909769 0.0000000 -2.6196979 0.0000000 0.9115358 0.0000000 -2.3339395 7 O -2.3837804 0.0000000 -0.8909769 0.0000000 -2.6196979 0.0000000 -0.9115358 0.0000000 -2.3339395 8 O -2.3837804 0.0000000 -0.8909769 0.0000000 -2.6196979 0.0000000 -0.9115358 0.0000000 -2.3339395 9 O -2.3885099 0.0000000 -0.0012874 0.0000000 -2.5167172 0.0000000 -0.0195366 0.0000000 -2.0860983 10 O -2.3885099 0.0000000 -0.0012874 0.0000000 -2.5167172 0.0000000 -0.0195366 0.0000000 -2.0860983 11 O -2.3885099 0.0000000 0.0012874 0.0000000 -2.5167172 0.0000000 0.0195366 0.0000000 -2.0860983 12 O -2.3885099 0.0000000 0.0012874 0.0000000 -2.5167172 0.0000000 0.0195366 0.0000000 -2.0860983 13 Tb 3.8564531 0.0000000 0.1583173 0.0000000 4.2032122 0.0000000 0.3450086 0.0000000 3.2789758 14 Tb 3.8564531 0.0000000 0.1583173 0.0000000 4.2032122 0.0000000 0.3450086 0.0000000 3.2789758 15 Tb 3.8564531 0.0000000 -0.1583173 0.0000000 4.2032122 0.0000000 -0.3450086 0.0000000 3.2789758 16 Tb 3.8564531 0.0000000 -0.1583173 0.0000000 4.2032122 0.0000000 -0.3450086 0.0000000 3.2789758 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1280 Number of blocks in projector: 1280 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1280, 1260), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (320, 312), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.751 Solver_block: 200 / 240 - Time: 1.778 Solver_block: 240 / 240 - Time: 0.783 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.341 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1280 Number of blocks in projector: 1280 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1280, 1260), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (320, 312), 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 2026-01-07 22:16:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:16:06]------------------------- 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): [1 4 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.156525289999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.369899120000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.267624800000001 Atomic positions (fractional): 1 Li 0.06717521183068 0.25000000000000 0.09679349508441 6.941 2 Li 0.93282478816932 0.75000000000000 0.90320650491559 6.941 3 Li 0.43282478816932 0.75000000000000 0.59679349508441 6.941 4 Li 0.56717521183068 0.25000000000000 0.40320650491559 6.941 5 O 0.20509289186159 0.25000000000000 0.30804402502453 15.999 6 O 0.79490710813841 0.75000000000000 0.69195597497547 15.999 7 O 0.29490710813841 0.75000000000000 0.80804402502453 15.999 8 O 0.70509289186159 0.25000000000000 0.19195597497546 15.999 9 O 0.52579462024054 0.25000000000000 0.75775644098850 15.999 10 O 0.47420537975946 0.75000000000000 0.24224355901150 15.999 11 O 0.97420537975946 0.75000000000000 0.25775644098850 15.999 12 O 0.02579462024053 0.25000000000000 0.74224355901150 15.999 13 Tb 0.85999758453368 0.25000000000000 0.45242681721660 158.925 14 Tb 0.14000241546632 0.75000000000000 0.54757318278340 158.925 15 Tb 0.64000241546632 0.75000000000000 0.95242681721660 158.925 16 Tb 0.35999758453368 0.25000000000000 0.04757318278340 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.156525289999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.479596480000003 0.000000000000000 c 0.000000000000000 0.000000000000000 10.535249600000002 Atomic positions (fractional): 1 Li 0.06717521183068 0.06250000000000 0.04839674754221 6.941 > 1 2 Li 0.06717521183068 0.31250000000000 0.04839674754221 6.941 > 1 3 Li 0.06717521183068 0.56250000000000 0.04839674754221 6.941 > 1 4 Li 0.06717521183068 0.81250000000000 0.04839674754221 6.941 > 1 5 Li 0.06717521183068 0.06250000000000 0.54839674754221 6.941 > 1 6 Li 0.06717521183068 0.31250000000000 0.54839674754221 6.941 > 1 7 Li 0.06717521183068 0.56250000000000 0.54839674754221 6.941 > 1 8 Li 0.06717521183068 0.81250000000000 0.54839674754221 6.941 > 1 9 Li 0.93282478816932 0.18750000000000 0.45160325245779 6.941 > 9 10 Li 0.93282478816932 0.43750000000000 0.45160325245779 6.941 > 9 11 Li 0.93282478816932 0.68750000000000 0.45160325245779 6.941 > 9 12 Li 0.93282478816932 0.93750000000000 0.45160325245779 6.941 > 9 13 Li 0.93282478816932 0.18750000000000 0.95160325245779 6.941 > 9 14 Li 0.93282478816932 0.43750000000000 0.95160325245779 6.941 > 9 15 Li 0.93282478816932 0.68750000000000 0.95160325245779 6.941 > 9 16 Li 0.93282478816932 0.93750000000000 0.95160325245779 6.941 > 9 17 Li 0.43282478816932 0.18750000000000 0.29839674754221 6.941 > 17 18 Li 0.43282478816932 0.43750000000000 0.29839674754221 6.941 > 17 19 Li 0.43282478816932 0.68750000000000 0.29839674754221 6.941 > 17 20 Li 0.43282478816932 0.93750000000000 0.29839674754221 6.941 > 17 21 Li 0.43282478816932 0.18750000000000 0.79839674754221 6.941 > 17 22 Li 0.43282478816932 0.43750000000000 0.79839674754221 6.941 > 17 23 Li 0.43282478816932 0.68750000000000 0.79839674754221 6.941 > 17 24 Li 0.43282478816932 0.93750000000000 0.79839674754221 6.941 > 17 25 Li 0.56717521183068 0.06250000000000 0.20160325245779 6.941 > 25 26 Li 0.56717521183068 0.31250000000000 0.20160325245779 6.941 > 25 27 Li 0.56717521183068 0.56250000000000 0.20160325245779 6.941 > 25 28 Li 0.56717521183068 0.81250000000000 0.20160325245779 6.941 > 25 29 Li 0.56717521183068 0.06250000000000 0.70160325245779 6.941 > 25 30 Li 0.56717521183068 0.31250000000000 0.70160325245779 6.941 > 25 31 Li 0.56717521183068 0.56250000000000 0.70160325245779 6.941 > 25 32 Li 0.56717521183068 0.81250000000000 0.70160325245779 6.941 > 25 33 O 0.20509289186159 0.06250000000000 0.15402201251227 15.999 > 33 34 O 0.20509289186159 0.31250000000000 0.15402201251227 15.999 > 33 35 O 0.20509289186159 0.56250000000000 0.15402201251227 15.999 > 33 36 O 0.20509289186159 0.81250000000000 0.15402201251227 15.999 > 33 37 O 0.20509289186159 0.06250000000000 0.65402201251227 15.999 > 33 38 O 0.20509289186159 0.31250000000000 0.65402201251227 15.999 > 33 39 O 0.20509289186159 0.56250000000000 0.65402201251227 15.999 > 33 40 O 0.20509289186159 0.81250000000000 0.65402201251227 15.999 > 33 41 O 0.79490710813841 0.18750000000000 0.34597798748773 15.999 > 41 42 O 0.79490710813841 0.43750000000000 0.34597798748773 15.999 > 41 43 O 0.79490710813841 0.68750000000000 0.34597798748773 15.999 > 41 44 O 0.79490710813841 0.93750000000000 0.34597798748773 15.999 > 41 45 O 0.79490710813841 0.18750000000000 0.84597798748773 15.999 > 41 46 O 0.79490710813841 0.43750000000000 0.84597798748773 15.999 > 41 47 O 0.79490710813841 0.68750000000000 0.84597798748773 15.999 > 41 48 O 0.79490710813841 0.93750000000000 0.84597798748773 15.999 > 41 49 O 0.29490710813841 0.18750000000000 0.40402201251227 15.999 > 49 50 O 0.29490710813841 0.43750000000000 0.40402201251227 15.999 > 49 51 O 0.29490710813841 0.68750000000000 0.40402201251227 15.999 > 49 52 O 0.29490710813841 0.93750000000000 0.40402201251227 15.999 > 49 53 O 0.29490710813841 0.18750000000000 0.90402201251227 15.999 > 49 54 O 0.29490710813841 0.43750000000000 0.90402201251227 15.999 > 49 55 O 0.29490710813841 0.68750000000000 0.90402201251227 15.999 > 49 56 O 0.29490710813841 0.93750000000000 0.90402201251227 15.999 > 49 57 O 0.70509289186159 0.06250000000000 0.09597798748773 15.999 > 57 58 O 0.70509289186159 0.31250000000000 0.09597798748773 15.999 > 57 59 O 0.70509289186159 0.56250000000000 0.09597798748773 15.999 > 57 60 O 0.70509289186159 0.81250000000000 0.09597798748773 15.999 > 57 61 O 0.70509289186159 0.06250000000000 0.59597798748773 15.999 > 57 62 O 0.70509289186159 0.31250000000000 0.59597798748773 15.999 > 57 63 O 0.70509289186159 0.56250000000000 0.59597798748773 15.999 > 57 64 O 0.70509289186159 0.81250000000000 0.59597798748773 15.999 > 57 65 O 0.52579462024054 0.06250000000000 0.37887822049425 15.999 > 65 66 O 0.52579462024054 0.31250000000000 0.37887822049425 15.999 > 65 67 O 0.52579462024054 0.56250000000000 0.37887822049425 15.999 > 65 68 O 0.52579462024054 0.81250000000000 0.37887822049425 15.999 > 65 69 O 0.52579462024054 0.06250000000000 0.87887822049425 15.999 > 65 70 O 0.52579462024054 0.31250000000000 0.87887822049425 15.999 > 65 71 O 0.52579462024054 0.56250000000000 0.87887822049425 15.999 > 65 72 O 0.52579462024054 0.81250000000000 0.87887822049425 15.999 > 65 73 O 0.47420537975946 0.18750000000000 0.12112177950575 15.999 > 73 74 O 0.47420537975946 0.43750000000000 0.12112177950575 15.999 > 73 75 O 0.47420537975946 0.68750000000000 0.12112177950575 15.999 > 73 76 O 0.47420537975946 0.93750000000000 0.12112177950575 15.999 > 73 77 O 0.47420537975946 0.18750000000000 0.62112177950575 15.999 > 73 78 O 0.47420537975946 0.43750000000000 0.62112177950575 15.999 > 73 79 O 0.47420537975946 0.68750000000000 0.62112177950575 15.999 > 73 80 O 0.47420537975946 0.93750000000000 0.62112177950575 15.999 > 73 81 O 0.97420537975946 0.18750000000000 0.12887822049425 15.999 > 81 82 O 0.97420537975946 0.43750000000000 0.12887822049425 15.999 > 81 83 O 0.97420537975946 0.68750000000000 0.12887822049425 15.999 > 81 84 O 0.97420537975946 0.93750000000000 0.12887822049425 15.999 > 81 85 O 0.97420537975946 0.18750000000000 0.62887822049425 15.999 > 81 86 O 0.97420537975946 0.43750000000000 0.62887822049425 15.999 > 81 87 O 0.97420537975946 0.68750000000000 0.62887822049425 15.999 > 81 88 O 0.97420537975946 0.93750000000000 0.62887822049425 15.999 > 81 89 O 0.02579462024053 0.06250000000000 0.37112177950575 15.999 > 89 90 O 0.02579462024053 0.31250000000000 0.37112177950575 15.999 > 89 91 O 0.02579462024053 0.56250000000000 0.37112177950575 15.999 > 89 92 O 0.02579462024053 0.81250000000000 0.37112177950575 15.999 > 89 93 O 0.02579462024053 0.06250000000000 0.87112177950575 15.999 > 89 94 O 0.02579462024053 0.31250000000000 0.87112177950575 15.999 > 89 95 O 0.02579462024053 0.56250000000000 0.87112177950575 15.999 > 89 96 O 0.02579462024053 0.81250000000000 0.87112177950575 15.999 > 89 97 Tb 0.85999758453368 0.06250000000000 0.22621340860830 158.925 > 97 98 Tb 0.85999758453368 0.31250000000000 0.22621340860830 158.925 > 97 99 Tb 0.85999758453368 0.56250000000000 0.22621340860830 158.925 > 97 100 Tb 0.85999758453368 0.81250000000000 0.22621340860830 158.925 > 97 101 Tb 0.85999758453368 0.06250000000000 0.72621340860830 158.925 > 97 102 Tb 0.85999758453368 0.31250000000000 0.72621340860830 158.925 > 97 103 Tb 0.85999758453368 0.56250000000000 0.72621340860830 158.925 > 97 104 Tb 0.85999758453368 0.81250000000000 0.72621340860830 158.925 > 97 105 Tb 0.14000241546632 0.18750000000000 0.27378659139170 158.925 > 105 106 Tb 0.14000241546632 0.43750000000000 0.27378659139170 158.925 > 105 107 Tb 0.14000241546632 0.68750000000000 0.27378659139170 158.925 > 105 108 Tb 0.14000241546632 0.93750000000000 0.27378659139170 158.925 > 105 109 Tb 0.14000241546632 0.18750000000000 0.77378659139170 158.925 > 105 110 Tb 0.14000241546632 0.43750000000000 0.77378659139170 158.925 > 105 111 Tb 0.14000241546632 0.68750000000000 0.77378659139170 158.925 > 105 112 Tb 0.14000241546632 0.93750000000000 0.77378659139170 158.925 > 105 113 Tb 0.64000241546632 0.18750000000000 0.47621340860830 158.925 > 113 114 Tb 0.64000241546632 0.43750000000000 0.47621340860830 158.925 > 113 115 Tb 0.64000241546632 0.68750000000000 0.47621340860830 158.925 > 113 116 Tb 0.64000241546632 0.93750000000000 0.47621340860830 158.925 > 113 117 Tb 0.64000241546632 0.18750000000000 0.97621340860830 158.925 > 113 118 Tb 0.64000241546632 0.43750000000000 0.97621340860830 158.925 > 113 119 Tb 0.64000241546632 0.68750000000000 0.97621340860830 158.925 > 113 120 Tb 0.64000241546632 0.93750000000000 0.97621340860830 158.925 > 113 121 Tb 0.35999758453368 0.06250000000000 0.02378659139170 158.925 > 121 122 Tb 0.35999758453368 0.31250000000000 0.02378659139170 158.925 > 121 123 Tb 0.35999758453368 0.56250000000000 0.02378659139170 158.925 > 121 124 Tb 0.35999758453368 0.81250000000000 0.02378659139170 158.925 > 121 125 Tb 0.35999758453368 0.06250000000000 0.52378659139170 158.925 > 121 126 Tb 0.35999758453368 0.31250000000000 0.52378659139170 158.925 > 121 127 Tb 0.35999758453368 0.56250000000000 0.52378659139170 158.925 > 121 128 Tb 0.35999758453368 0.81250000000000 0.52378659139170 158.925 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9167677 0.0000000 0.0000000 0.0000000 4.1381817 0.0000000 0.0000000 0.0000000 3.6275848 -------------------------- Born effective charges -------------------------- 1 Li 0.9158372 0.0000000 -0.0169774 0.0000000 0.9332029 0.0000000 0.0082985 0.0000000 1.1410621 2 Li 0.9158372 0.0000000 -0.0169774 0.0000000 0.9332029 0.0000000 0.0082985 0.0000000 1.1410621 3 Li 0.9158372 0.0000000 0.0169774 0.0000000 0.9332029 0.0000000 -0.0082985 0.0000000 1.1410621 4 Li 0.9158372 0.0000000 0.0169774 0.0000000 0.9332029 0.0000000 -0.0082985 0.0000000 1.1410621 5 O -2.3837804 0.0000000 0.8909769 0.0000000 -2.6196979 0.0000000 0.9115358 0.0000000 -2.3339395 6 O -2.3837804 0.0000000 0.8909769 0.0000000 -2.6196979 0.0000000 0.9115358 0.0000000 -2.3339395 7 O -2.3837804 0.0000000 -0.8909769 0.0000000 -2.6196979 0.0000000 -0.9115358 0.0000000 -2.3339395 8 O -2.3837804 0.0000000 -0.8909769 0.0000000 -2.6196979 0.0000000 -0.9115358 0.0000000 -2.3339395 9 O -2.3885099 0.0000000 -0.0012874 0.0000000 -2.5167172 0.0000000 -0.0195366 0.0000000 -2.0860983 10 O -2.3885099 0.0000000 -0.0012874 0.0000000 -2.5167172 0.0000000 -0.0195366 0.0000000 -2.0860983 11 O -2.3885099 0.0000000 0.0012874 0.0000000 -2.5167172 0.0000000 0.0195366 0.0000000 -2.0860983 12 O -2.3885099 0.0000000 0.0012874 0.0000000 -2.5167172 0.0000000 0.0195366 0.0000000 -2.0860983 13 Tb 3.8564531 0.0000000 0.1583173 0.0000000 4.2032122 0.0000000 0.3450086 0.0000000 3.2789758 14 Tb 3.8564531 0.0000000 0.1583173 0.0000000 4.2032122 0.0000000 0.3450086 0.0000000 3.2789758 15 Tb 3.8564531 0.0000000 -0.1583173 0.0000000 4.2032122 0.0000000 -0.3450086 0.0000000 3.2789758 16 Tb 3.8564531 0.0000000 -0.1583173 0.0000000 4.2032122 0.0000000 -0.3450086 0.0000000 3.2789758 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:16:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:16:23]------------------------- 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): [1 4 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.156525289999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.369899120000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.267624800000001 Atomic positions (fractional): 1 Li 0.06717521183068 0.25000000000000 0.09679349508441 6.941 2 Li 0.93282478816932 0.75000000000000 0.90320650491559 6.941 3 Li 0.43282478816932 0.75000000000000 0.59679349508441 6.941 4 Li 0.56717521183068 0.25000000000000 0.40320650491559 6.941 5 O 0.20509289186159 0.25000000000000 0.30804402502453 15.999 6 O 0.79490710813841 0.75000000000000 0.69195597497547 15.999 7 O 0.29490710813841 0.75000000000000 0.80804402502453 15.999 8 O 0.70509289186159 0.25000000000000 0.19195597497546 15.999 9 O 0.52579462024054 0.25000000000000 0.75775644098850 15.999 10 O 0.47420537975946 0.75000000000000 0.24224355901150 15.999 11 O 0.97420537975946 0.75000000000000 0.25775644098850 15.999 12 O 0.02579462024053 0.25000000000000 0.74224355901150 15.999 13 Tb 0.85999758453368 0.25000000000000 0.45242681721660 158.925 14 Tb 0.14000241546632 0.75000000000000 0.54757318278340 158.925 15 Tb 0.64000241546632 0.75000000000000 0.95242681721660 158.925 16 Tb 0.35999758453368 0.25000000000000 0.04757318278340 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.156525289999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.479596480000003 0.000000000000000 c 0.000000000000000 0.000000000000000 10.535249600000002 Atomic positions (fractional): 1 Li 0.06717521183068 0.06250000000000 0.04839674754221 6.941 > 1 2 Li 0.06717521183068 0.31250000000000 0.04839674754221 6.941 > 1 3 Li 0.06717521183068 0.56250000000000 0.04839674754221 6.941 > 1 4 Li 0.06717521183068 0.81250000000000 0.04839674754221 6.941 > 1 5 Li 0.06717521183068 0.06250000000000 0.54839674754221 6.941 > 1 6 Li 0.06717521183068 0.31250000000000 0.54839674754221 6.941 > 1 7 Li 0.06717521183068 0.56250000000000 0.54839674754221 6.941 > 1 8 Li 0.06717521183068 0.81250000000000 0.54839674754221 6.941 > 1 9 Li 0.93282478816932 0.18750000000000 0.45160325245779 6.941 > 9 10 Li 0.93282478816932 0.43750000000000 0.45160325245779 6.941 > 9 11 Li 0.93282478816932 0.68750000000000 0.45160325245779 6.941 > 9 12 Li 0.93282478816932 0.93750000000000 0.45160325245779 6.941 > 9 13 Li 0.93282478816932 0.18750000000000 0.95160325245779 6.941 > 9 14 Li 0.93282478816932 0.43750000000000 0.95160325245779 6.941 > 9 15 Li 0.93282478816932 0.68750000000000 0.95160325245779 6.941 > 9 16 Li 0.93282478816932 0.93750000000000 0.95160325245779 6.941 > 9 17 Li 0.43282478816932 0.18750000000000 0.29839674754221 6.941 > 17 18 Li 0.43282478816932 0.43750000000000 0.29839674754221 6.941 > 17 19 Li 0.43282478816932 0.68750000000000 0.29839674754221 6.941 > 17 20 Li 0.43282478816932 0.93750000000000 0.29839674754221 6.941 > 17 21 Li 0.43282478816932 0.18750000000000 0.79839674754221 6.941 > 17 22 Li 0.43282478816932 0.43750000000000 0.79839674754221 6.941 > 17 23 Li 0.43282478816932 0.68750000000000 0.79839674754221 6.941 > 17 24 Li 0.43282478816932 0.93750000000000 0.79839674754221 6.941 > 17 25 Li 0.56717521183068 0.06250000000000 0.20160325245779 6.941 > 25 26 Li 0.56717521183068 0.31250000000000 0.20160325245779 6.941 > 25 27 Li 0.56717521183068 0.56250000000000 0.20160325245779 6.941 > 25 28 Li 0.56717521183068 0.81250000000000 0.20160325245779 6.941 > 25 29 Li 0.56717521183068 0.06250000000000 0.70160325245779 6.941 > 25 30 Li 0.56717521183068 0.31250000000000 0.70160325245779 6.941 > 25 31 Li 0.56717521183068 0.56250000000000 0.70160325245779 6.941 > 25 32 Li 0.56717521183068 0.81250000000000 0.70160325245779 6.941 > 25 33 O 0.20509289186159 0.06250000000000 0.15402201251227 15.999 > 33 34 O 0.20509289186159 0.31250000000000 0.15402201251227 15.999 > 33 35 O 0.20509289186159 0.56250000000000 0.15402201251227 15.999 > 33 36 O 0.20509289186159 0.81250000000000 0.15402201251227 15.999 > 33 37 O 0.20509289186159 0.06250000000000 0.65402201251227 15.999 > 33 38 O 0.20509289186159 0.31250000000000 0.65402201251227 15.999 > 33 39 O 0.20509289186159 0.56250000000000 0.65402201251227 15.999 > 33 40 O 0.20509289186159 0.81250000000000 0.65402201251227 15.999 > 33 41 O 0.79490710813841 0.18750000000000 0.34597798748773 15.999 > 41 42 O 0.79490710813841 0.43750000000000 0.34597798748773 15.999 > 41 43 O 0.79490710813841 0.68750000000000 0.34597798748773 15.999 > 41 44 O 0.79490710813841 0.93750000000000 0.34597798748773 15.999 > 41 45 O 0.79490710813841 0.18750000000000 0.84597798748773 15.999 > 41 46 O 0.79490710813841 0.43750000000000 0.84597798748773 15.999 > 41 47 O 0.79490710813841 0.68750000000000 0.84597798748773 15.999 > 41 48 O 0.79490710813841 0.93750000000000 0.84597798748773 15.999 > 41 49 O 0.29490710813841 0.18750000000000 0.40402201251227 15.999 > 49 50 O 0.29490710813841 0.43750000000000 0.40402201251227 15.999 > 49 51 O 0.29490710813841 0.68750000000000 0.40402201251227 15.999 > 49 52 O 0.29490710813841 0.93750000000000 0.40402201251227 15.999 > 49 53 O 0.29490710813841 0.18750000000000 0.90402201251227 15.999 > 49 54 O 0.29490710813841 0.43750000000000 0.90402201251227 15.999 > 49 55 O 0.29490710813841 0.68750000000000 0.90402201251227 15.999 > 49 56 O 0.29490710813841 0.93750000000000 0.90402201251227 15.999 > 49 57 O 0.70509289186159 0.06250000000000 0.09597798748773 15.999 > 57 58 O 0.70509289186159 0.31250000000000 0.09597798748773 15.999 > 57 59 O 0.70509289186159 0.56250000000000 0.09597798748773 15.999 > 57 60 O 0.70509289186159 0.81250000000000 0.09597798748773 15.999 > 57 61 O 0.70509289186159 0.06250000000000 0.59597798748773 15.999 > 57 62 O 0.70509289186159 0.31250000000000 0.59597798748773 15.999 > 57 63 O 0.70509289186159 0.56250000000000 0.59597798748773 15.999 > 57 64 O 0.70509289186159 0.81250000000000 0.59597798748773 15.999 > 57 65 O 0.52579462024054 0.06250000000000 0.37887822049425 15.999 > 65 66 O 0.52579462024054 0.31250000000000 0.37887822049425 15.999 > 65 67 O 0.52579462024054 0.56250000000000 0.37887822049425 15.999 > 65 68 O 0.52579462024054 0.81250000000000 0.37887822049425 15.999 > 65 69 O 0.52579462024054 0.06250000000000 0.87887822049425 15.999 > 65 70 O 0.52579462024054 0.31250000000000 0.87887822049425 15.999 > 65 71 O 0.52579462024054 0.56250000000000 0.87887822049425 15.999 > 65 72 O 0.52579462024054 0.81250000000000 0.87887822049425 15.999 > 65 73 O 0.47420537975946 0.18750000000000 0.12112177950575 15.999 > 73 74 O 0.47420537975946 0.43750000000000 0.12112177950575 15.999 > 73 75 O 0.47420537975946 0.68750000000000 0.12112177950575 15.999 > 73 76 O 0.47420537975946 0.93750000000000 0.12112177950575 15.999 > 73 77 O 0.47420537975946 0.18750000000000 0.62112177950575 15.999 > 73 78 O 0.47420537975946 0.43750000000000 0.62112177950575 15.999 > 73 79 O 0.47420537975946 0.68750000000000 0.62112177950575 15.999 > 73 80 O 0.47420537975946 0.93750000000000 0.62112177950575 15.999 > 73 81 O 0.97420537975946 0.18750000000000 0.12887822049425 15.999 > 81 82 O 0.97420537975946 0.43750000000000 0.12887822049425 15.999 > 81 83 O 0.97420537975946 0.68750000000000 0.12887822049425 15.999 > 81 84 O 0.97420537975946 0.93750000000000 0.12887822049425 15.999 > 81 85 O 0.97420537975946 0.18750000000000 0.62887822049425 15.999 > 81 86 O 0.97420537975946 0.43750000000000 0.62887822049425 15.999 > 81 87 O 0.97420537975946 0.68750000000000 0.62887822049425 15.999 > 81 88 O 0.97420537975946 0.93750000000000 0.62887822049425 15.999 > 81 89 O 0.02579462024053 0.06250000000000 0.37112177950575 15.999 > 89 90 O 0.02579462024053 0.31250000000000 0.37112177950575 15.999 > 89 91 O 0.02579462024053 0.56250000000000 0.37112177950575 15.999 > 89 92 O 0.02579462024053 0.81250000000000 0.37112177950575 15.999 > 89 93 O 0.02579462024053 0.06250000000000 0.87112177950575 15.999 > 89 94 O 0.02579462024053 0.31250000000000 0.87112177950575 15.999 > 89 95 O 0.02579462024053 0.56250000000000 0.87112177950575 15.999 > 89 96 O 0.02579462024053 0.81250000000000 0.87112177950575 15.999 > 89 97 Tb 0.85999758453368 0.06250000000000 0.22621340860830 158.925 > 97 98 Tb 0.85999758453368 0.31250000000000 0.22621340860830 158.925 > 97 99 Tb 0.85999758453368 0.56250000000000 0.22621340860830 158.925 > 97 100 Tb 0.85999758453368 0.81250000000000 0.22621340860830 158.925 > 97 101 Tb 0.85999758453368 0.06250000000000 0.72621340860830 158.925 > 97 102 Tb 0.85999758453368 0.31250000000000 0.72621340860830 158.925 > 97 103 Tb 0.85999758453368 0.56250000000000 0.72621340860830 158.925 > 97 104 Tb 0.85999758453368 0.81250000000000 0.72621340860830 158.925 > 97 105 Tb 0.14000241546632 0.18750000000000 0.27378659139170 158.925 > 105 106 Tb 0.14000241546632 0.43750000000000 0.27378659139170 158.925 > 105 107 Tb 0.14000241546632 0.68750000000000 0.27378659139170 158.925 > 105 108 Tb 0.14000241546632 0.93750000000000 0.27378659139170 158.925 > 105 109 Tb 0.14000241546632 0.18750000000000 0.77378659139170 158.925 > 105 110 Tb 0.14000241546632 0.43750000000000 0.77378659139170 158.925 > 105 111 Tb 0.14000241546632 0.68750000000000 0.77378659139170 158.925 > 105 112 Tb 0.14000241546632 0.93750000000000 0.77378659139170 158.925 > 105 113 Tb 0.64000241546632 0.18750000000000 0.47621340860830 158.925 > 113 114 Tb 0.64000241546632 0.43750000000000 0.47621340860830 158.925 > 113 115 Tb 0.64000241546632 0.68750000000000 0.47621340860830 158.925 > 113 116 Tb 0.64000241546632 0.93750000000000 0.47621340860830 158.925 > 113 117 Tb 0.64000241546632 0.18750000000000 0.97621340860830 158.925 > 113 118 Tb 0.64000241546632 0.43750000000000 0.97621340860830 158.925 > 113 119 Tb 0.64000241546632 0.68750000000000 0.97621340860830 158.925 > 113 120 Tb 0.64000241546632 0.93750000000000 0.97621340860830 158.925 > 113 121 Tb 0.35999758453368 0.06250000000000 0.02378659139170 158.925 > 121 122 Tb 0.35999758453368 0.31250000000000 0.02378659139170 158.925 > 121 123 Tb 0.35999758453368 0.56250000000000 0.02378659139170 158.925 > 121 124 Tb 0.35999758453368 0.81250000000000 0.02378659139170 158.925 > 121 125 Tb 0.35999758453368 0.06250000000000 0.52378659139170 158.925 > 121 126 Tb 0.35999758453368 0.31250000000000 0.52378659139170 158.925 > 121 127 Tb 0.35999758453368 0.56250000000000 0.52378659139170 158.925 > 121 128 Tb 0.35999758453368 0.81250000000000 0.52378659139170 158.925 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9167677 0.0000000 0.0000000 0.0000000 4.1381817 0.0000000 0.0000000 0.0000000 3.6275848 -------------------------- Born effective charges -------------------------- 1 Li 0.9158372 0.0000000 -0.0169774 0.0000000 0.9332029 0.0000000 0.0082985 0.0000000 1.1410621 2 Li 0.9158372 0.0000000 -0.0169774 0.0000000 0.9332029 0.0000000 0.0082985 0.0000000 1.1410621 3 Li 0.9158372 0.0000000 0.0169774 0.0000000 0.9332029 0.0000000 -0.0082985 0.0000000 1.1410621 4 Li 0.9158372 0.0000000 0.0169774 0.0000000 0.9332029 0.0000000 -0.0082985 0.0000000 1.1410621 5 O -2.3837804 0.0000000 0.8909769 0.0000000 -2.6196979 0.0000000 0.9115358 0.0000000 -2.3339395 6 O -2.3837804 0.0000000 0.8909769 0.0000000 -2.6196979 0.0000000 0.9115358 0.0000000 -2.3339395 7 O -2.3837804 0.0000000 -0.8909769 0.0000000 -2.6196979 0.0000000 -0.9115358 0.0000000 -2.3339395 8 O -2.3837804 0.0000000 -0.8909769 0.0000000 -2.6196979 0.0000000 -0.9115358 0.0000000 -2.3339395 9 O -2.3885099 0.0000000 -0.0012874 0.0000000 -2.5167172 0.0000000 -0.0195366 0.0000000 -2.0860983 10 O -2.3885099 0.0000000 -0.0012874 0.0000000 -2.5167172 0.0000000 -0.0195366 0.0000000 -2.0860983 11 O -2.3885099 0.0000000 0.0012874 0.0000000 -2.5167172 0.0000000 0.0195366 0.0000000 -2.0860983 12 O -2.3885099 0.0000000 0.0012874 0.0000000 -2.5167172 0.0000000 0.0195366 0.0000000 -2.0860983 13 Tb 3.8564531 0.0000000 0.1583173 0.0000000 4.2032122 0.0000000 0.3450086 0.0000000 3.2789758 14 Tb 3.8564531 0.0000000 0.1583173 0.0000000 4.2032122 0.0000000 0.3450086 0.0000000 3.2789758 15 Tb 3.8564531 0.0000000 -0.1583173 0.0000000 4.2032122 0.0000000 -0.3450086 0.0000000 3.2789758 16 Tb 3.8564531 0.0000000 -0.1583173 0.0000000 4.2032122 0.0000000 -0.3450086 0.0000000 3.2789758 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) 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 ... [ 4 15 9 ] 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: 0.71, Number of G-points: 301, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 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 1.618 ( 0.000 0.000 0.000) 0.000 2.223 ( 0.000 0.000 0.000) 0.000 2.396 ( 0.000 0.000 0.000) 0.000 2.738 ( 0.000 0.000 0.000) 0.000 3.410 ( 0.000 0.000 0.000) 0.000 4.257 ( 0.000 0.000 0.000) 0.000 4.361 ( 0.000 0.000 0.000) 0.000 4.463 ( 0.000 0.000 0.000) 0.000 4.559 ( 0.000 0.000 0.000) 0.000 5.999 ( 0.000 0.000 0.000) 0.000 6.025 ( 0.000 0.000 0.000) 0.000 6.916 ( 0.000 0.000 0.000) 0.000 7.083 ( 0.000 0.000 0.000) 0.000 7.345 ( 0.000 0.000 0.000) 0.000 7.491 ( 0.000 0.000 0.000) 0.000 7.811 ( 0.000 0.000 0.000) 0.000 8.485 ( 0.000 0.000 0.000) 0.000 8.503 ( 0.000 0.000 0.000) 0.000 9.068 ( 0.000 0.000 0.000) 0.000 9.312 ( 0.000 0.000 0.000) 0.000 9.773 ( 0.000 0.000 0.000) 0.000 10.190 ( 0.000 0.000 0.000) 0.000 10.517 ( 0.000 0.000 0.000) 0.000 10.620 ( 0.000 0.000 0.000) 0.000 10.659 ( 0.000 0.000 0.000) 0.000 11.240 ( 0.000 0.000 0.000) 0.000 11.495 ( 0.000 0.000 0.000) 0.000 11.506 ( 0.000 0.000 0.000) 0.000 11.657 ( 0.000 0.000 0.000) 0.000 11.665 ( 0.000 0.000 0.000) 0.000 11.685 ( 0.000 0.000 0.000) 0.000 11.734 ( 0.000 0.000 0.000) 0.000 12.175 ( 0.000 0.000 0.000) 0.000 12.739 ( 0.000 0.000 0.000) 0.000 14.261 ( 0.000 0.000 0.000) 0.000 14.474 ( 0.000 0.000 0.000) 0.000 14.770 ( 0.000 0.000 0.000) 0.000 14.823 ( 0.000 0.000 0.000) 0.000 15.297 ( 0.000 0.000 0.000) 0.000 16.941 ( 0.000 0.000 0.000) 0.000 17.914 ( 0.000 0.000 0.000) 0.000 18.007 ( 0.000 0.000 0.000) 0.000 18.353 ( 0.000 0.000 0.000) 0.000 18.422 ( 0.000 0.000 0.000) 0.000 20.086 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 24.458 0.000 0.000) 24.458 0.760 ( 32.814 0.000 0.000) 32.814 1.291 ( 56.328 0.000 0.000) 56.328 1.458 ( -13.134 0.000 0.000) 13.134 1.990 ( -18.711 0.000 0.000) 18.711 2.472 ( 5.651 0.000 0.000) 5.651 2.702 ( -3.107 0.000 0.000) 3.107 3.559 ( -41.033 0.000 0.000) 41.033 3.739 ( 13.742 0.000 0.000) 13.742 4.355 ( -9.253 0.000 0.000) 9.253 4.604 ( 3.629 0.000 0.000) 3.629 4.658 ( 6.887 0.000 0.000) 6.887 6.003 ( 0.352 0.000 0.000) 0.352 6.022 ( -0.297 0.000 0.000) 0.297 7.034 ( 9.055 0.000 0.000) 9.055 7.329 ( -1.856 0.000 0.000) 1.856 7.531 ( 3.515 0.000 0.000) 3.515 7.756 ( -4.479 0.000 0.000) 4.479 8.493 ( 0.553 0.000 0.000) 0.553 8.504 ( 0.049 0.000 0.000) 0.049 8.750 ( -1.018 0.000 0.000) 1.018 8.909 ( -8.748 0.000 0.000) 8.748 9.503 ( 12.162 0.000 0.000) 12.162 10.062 ( -10.119 0.000 0.000) 10.119 10.582 ( 5.016 0.000 0.000) 5.016 10.628 ( 0.681 0.000 0.000) 0.681 10.656 ( -0.253 0.000 0.000) 0.253 10.710 ( 1.241 0.000 0.000) 1.241 11.268 ( 2.460 0.000 0.000) 2.460 11.442 ( -3.984 0.000 0.000) 3.984 11.510 ( 0.658 0.000 0.000) 0.658 11.636 ( -3.797 0.000 0.000) 3.797 11.684 ( 1.694 0.000 0.000) 1.694 11.730 ( -0.340 0.000 0.000) 0.340 11.759 ( 7.666 0.000 0.000) 7.666 12.157 ( -6.544 0.000 0.000) 6.544 14.293 ( 2.660 0.000 0.000) 2.660 14.441 ( -2.730 0.000 0.000) 2.730 14.786 ( 1.145 0.000 0.000) 1.145 14.821 ( -0.212 0.000 0.000) 0.212 15.307 ( 0.887 0.000 0.000) 0.887 15.366 ( -1.232 0.000 0.000) 1.232 17.694 ( 2.574 0.000 0.000) 2.574 17.868 ( -3.685 0.000 0.000) 3.685 18.373 ( 1.496 0.000 0.000) 1.496 18.420 ( -0.307 0.000 0.000) 0.307 20.006 ( 1.161 0.000 0.000) 1.161 20.072 ( -1.166 0.000 0.000) 1.166 ======================= Grid point 2 (3/120) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -20.317 0.000 0.000) 20.317 1.076 ( 20.317 0.000 0.000) 20.317 1.447 ( -27.899 0.000 0.000) 27.899 1.447 ( 27.899 0.000 0.000) 27.899 2.513 ( -51.240 0.000 0.000) 51.240 2.513 ( 51.240 0.000 0.000) 51.240 2.604 ( -5.485 0.000 0.000) 5.485 2.604 ( 5.485 0.000 0.000) 5.485 4.076 ( -14.847 0.000 0.000) 14.847 4.076 ( 14.847 0.000 0.000) 14.847 4.687 ( -2.649 0.000 0.000) 2.649 4.687 ( 2.649 0.000 0.000) 2.649 6.013 ( -0.463 0.000 0.000) 0.463 6.013 ( 0.463 0.000 0.000) 0.463 7.233 ( -7.108 0.000 0.000) 7.108 7.233 ( 7.108 0.000 0.000) 7.108 7.637 ( -5.543 0.000 0.000) 5.543 7.637 ( 5.543 0.000 0.000) 5.543 8.502 ( -0.253 0.000 0.000) 0.253 8.502 ( 0.253 0.000 0.000) 0.253 8.766 ( -3.327 0.000 0.000) 3.327 8.766 ( 3.327 0.000 0.000) 3.327 9.792 ( -13.120 0.000 0.000) 13.120 9.792 ( 13.120 0.000 0.000) 13.120 10.645 ( -0.728 0.000 0.000) 0.728 10.645 ( 0.728 0.000 0.000) 0.728 10.689 ( -3.401 0.000 0.000) 3.401 10.689 ( 3.401 0.000 0.000) 3.401 11.345 ( -4.200 0.000 0.000) 4.200 11.345 ( 4.200 0.000 0.000) 4.200 11.550 ( -3.106 0.000 0.000) 3.106 11.550 ( 3.106 0.000 0.000) 3.106 11.716 ( -1.026 0.000 0.000) 1.026 11.716 ( 1.026 0.000 0.000) 1.026 11.966 ( -9.785 0.000 0.000) 9.785 11.966 ( 9.785 0.000 0.000) 9.785 14.367 ( -3.574 0.000 0.000) 3.574 14.367 ( 3.574 0.000 0.000) 3.574 14.810 ( -0.817 0.000 0.000) 0.817 14.810 ( 0.817 0.000 0.000) 0.817 15.334 ( -1.474 0.000 0.000) 1.474 15.334 ( 1.474 0.000 0.000) 1.474 17.774 ( -4.253 0.000 0.000) 4.253 17.774 ( 4.253 0.000 0.000) 4.253 18.405 ( -1.105 0.000 0.000) 1.105 18.405 ( 1.105 0.000 0.000) 1.105 20.039 ( -1.649 0.000 0.000) 1.649 20.039 ( 1.649 0.000 0.000) 1.649 ======================= Grid point 5 (4/120) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 0.000 27.203 0.000) 27.203 0.537 ( 0.000 28.272 0.000) 28.272 1.189 ( 0.000 58.538 0.000) 58.538 1.973 ( 0.000 30.972 0.000) 30.972 2.220 ( 0.000 0.292 0.000) 0.292 2.559 ( 0.000 15.113 0.000) 15.113 2.961 ( 0.000 21.107 0.000) 21.107 3.434 ( 0.000 2.484 0.000) 2.484 4.260 ( 0.000 0.485 0.000) 0.485 4.384 ( 0.000 2.428 0.000) 2.428 4.434 ( 0.000 -2.466 0.000) 2.466 4.566 ( 0.000 0.633 0.000) 0.633 6.043 ( 0.000 1.393 0.000) 1.393 6.069 ( 0.000 6.873 0.000) 6.873 6.776 ( 0.000 -11.302 0.000) 11.302 7.062 ( 0.000 -1.514 0.000) 1.514 7.430 ( 0.000 8.634 0.000) 8.634 8.037 ( 0.000 20.752 0.000) 20.752 8.595 ( 0.000 6.902 0.000) 6.902 8.613 ( 0.000 7.484 0.000) 7.484 9.176 ( 0.000 13.290 0.000) 13.290 9.336 ( 0.000 2.542 0.000) 2.542 9.734 ( 0.000 -1.578 0.000) 1.578 10.182 ( 0.000 -0.956 0.000) 0.956 10.510 ( 0.000 -0.646 0.000) 0.646 10.621 ( 0.000 -0.399 0.000) 0.399 10.652 ( 0.000 -3.233 0.000) 3.233 10.719 ( 0.000 -8.375 0.000) 8.375 10.853 ( 0.000 -24.020 0.000) 24.020 11.449 ( 0.000 -5.623 0.000) 5.623 11.628 ( 0.000 -2.551 0.000) 2.551 11.704 ( 0.000 1.510 0.000) 1.510 11.806 ( 0.000 7.177 0.000) 7.177 11.939 ( 0.000 16.131 0.000) 16.131 12.265 ( 0.000 8.029 0.000) 8.029 12.779 ( 0.000 4.353 0.000) 4.353 14.257 ( 0.000 -0.622 0.000) 0.622 14.465 ( 0.000 -0.988 0.000) 0.988 14.728 ( 0.000 -4.297 0.000) 4.297 14.782 ( 0.000 -3.882 0.000) 3.882 15.327 ( 0.000 3.150 0.000) 3.150 16.946 ( 0.000 0.573 0.000) 0.573 17.315 ( 0.000 -2.057 0.000) 2.057 17.873 ( 0.000 -4.196 0.000) 4.196 17.939 ( 0.000 -6.794 0.000) 6.794 18.331 ( 0.000 -2.139 0.000) 2.139 18.407 ( 0.000 -1.523 0.000) 1.523 19.979 ( 0.000 -10.403 0.000) 10.403 ======================= Grid point 6 (5/120) ======================= q-point: ( 0.25 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 26.115 15.443 0.000) 30.339 1.022 ( 22.881 23.892 0.000) 33.081 1.611 ( 37.662 35.383 0.000) 51.676 1.809 ( -12.868 29.555 0.000) 32.235 2.013 ( -16.586 3.111 0.000) 16.875 2.646 ( 5.858 16.536 0.000) 17.543 2.926 ( -2.970 21.027 0.000) 21.236 3.626 ( -37.694 7.076 0.000) 38.352 3.682 ( 16.411 -2.154 0.000) 16.552 4.326 ( -9.142 -2.695 0.000) 9.531 4.596 ( 2.949 -0.336 0.000) 2.968 4.647 ( 6.218 -0.872 0.000) 6.279 6.043 ( 0.032 1.655 0.000) 1.656 6.057 ( -0.725 5.090 0.000) 5.142 6.887 ( 8.024 -10.424 0.000) 13.155 7.087 ( 0.249 -6.271 0.000) 6.276 7.674 ( 16.392 5.791 0.000) 17.385 8.043 ( 0.417 24.087 0.000) 24.091 8.522 ( -7.098 1.570 0.000) 7.269 8.539 ( -5.132 7.783 0.000) 9.323 9.115 ( -2.057 19.777 0.000) 19.884 9.423 ( -19.756 26.183 0.000) 32.800 9.492 ( 10.738 -1.100 0.000) 10.794 10.067 ( -11.519 0.282 0.000) 11.522 10.484 ( -0.749 -10.756 0.000) 10.782 10.540 ( -5.843 -10.479 0.000) 11.998 10.634 ( 0.681 0.320 0.000) 0.753 10.667 ( 0.118 0.851 0.000) 0.859 10.995 ( 11.160 -15.530 0.000) 19.124 11.475 ( 2.423 -4.654 0.000) 5.247 11.552 ( -9.410 -1.103 0.000) 9.475 11.649 ( -3.205 -0.416 0.000) 3.232 11.804 ( -0.116 8.064 0.000) 8.065 11.963 ( -17.652 25.349 0.000) 30.889 11.999 ( 5.050 15.028 0.000) 15.854 12.310 ( -8.694 13.106 0.000) 15.727 14.293 ( 2.676 -0.297 0.000) 2.692 14.434 ( -2.550 -0.764 0.000) 2.662 14.744 ( 1.193 -4.326 0.000) 4.488 14.786 ( -0.161 -3.889 0.000) 3.892 15.350 ( 2.130 4.374 0.000) 4.865 15.679 ( -22.009 23.855 0.000) 32.457 17.669 ( 3.052 -2.463 0.000) 3.922 17.832 ( -3.290 -3.669 0.000) 4.928 18.343 ( 0.791 -3.001 0.000) 3.103 18.345 ( 1.146 -7.982 0.000) 8.064 19.369 ( 37.927 -41.039 0.000) 55.880 19.944 ( -3.208 -12.218 0.000) 12.632 ======================= Grid point 7 (6/120) ======================= q-point: (-0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -17.642 29.312 0.000) 34.211 1.458 ( 17.642 29.312 0.000) 34.211 1.516 ( -25.384 7.228 0.000) 26.393 1.516 ( 25.384 7.228 0.000) 26.393 2.577 ( -35.147 12.160 0.000) 37.191 2.577 ( 35.147 12.160 0.000) 37.191 2.872 ( -5.444 21.617 0.000) 22.292 2.872 ( 5.444 21.617 0.000) 22.292 4.047 ( -15.129 -2.384 0.000) 15.316 4.047 ( 15.129 -2.384 0.000) 15.316 4.671 ( -2.574 -1.423 0.000) 2.941 4.671 ( 2.574 -1.423 0.000) 2.941 6.045 ( -0.270 2.854 0.000) 2.867 6.045 ( 0.270 2.854 0.000) 2.867 7.043 ( -4.610 -8.973 0.000) 10.088 7.043 ( 4.610 -8.973 0.000) 10.088 7.983 ( -8.721 19.877 0.000) 21.706 7.983 ( 8.721 19.877 0.000) 21.706 8.423 ( -1.734 1.328 0.000) 2.185 8.423 ( 1.734 1.328 0.000) 2.185 9.141 ( -5.367 26.883 0.000) 27.414 9.141 ( 5.367 26.883 0.000) 27.414 9.769 ( -13.486 -2.456 0.000) 13.708 9.769 ( 13.486 -2.456 0.000) 13.708 10.489 ( -0.836 -15.366 0.000) 15.389 10.489 ( 0.836 -15.366 0.000) 15.389 10.655 ( -0.953 0.518 0.000) 1.085 10.655 ( 0.953 0.518 0.000) 1.085 11.279 ( -13.157 -4.042 0.000) 13.764 11.279 ( 13.157 -4.042 0.000) 13.764 11.556 ( -4.569 -2.536 0.000) 5.226 11.556 ( 4.569 -2.536 0.000) 5.226 11.811 ( -1.304 11.651 0.000) 11.723 11.811 ( 1.304 11.651 0.000) 11.723 12.143 ( -7.271 12.788 0.000) 14.711 12.143 ( 7.271 12.788 0.000) 14.711 14.364 ( -3.397 -0.380 0.000) 3.418 14.364 ( 3.397 -0.380 0.000) 3.418 14.771 ( -1.055 -4.120 0.000) 4.253 14.771 ( 1.055 -4.120 0.000) 4.253 15.431 ( -5.529 9.076 0.000) 10.627 15.431 ( 5.529 9.076 0.000) 10.627 17.747 ( -3.913 -2.757 0.000) 4.787 17.747 ( 3.913 -2.757 0.000) 4.787 18.355 ( -0.101 -4.989 0.000) 4.990 18.355 ( 0.101 -4.989 0.000) 4.990 19.814 ( -9.565 -20.005 0.000) 22.174 19.814 ( 9.565 -20.005 0.000) 22.174 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.00 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 0.000 26.667 0.000) 26.667 1.118 ( 0.000 30.051 0.000) 30.051 2.114 ( 0.000 15.216 0.000) 15.216 2.435 ( 0.000 41.107 0.000) 41.107 2.631 ( 0.000 31.216 0.000) 31.216 2.916 ( 0.000 18.904 0.000) 18.904 3.481 ( 0.000 20.783 0.000) 20.783 3.524 ( 0.000 15.355 0.000) 15.355 4.246 ( 0.000 -3.979 0.000) 3.979 4.440 ( 0.000 6.531 0.000) 6.531 4.459 ( 0.000 5.271 0.000) 5.271 4.577 ( 0.000 0.199 0.000) 0.199 6.079 ( 0.000 2.507 0.000) 2.507 6.259 ( 0.000 12.014 0.000) 12.014 6.578 ( 0.000 -6.889 0.000) 6.889 7.049 ( 0.000 0.577 0.000) 0.577 7.681 ( 0.000 16.381 0.000) 16.381 8.512 ( 0.000 24.280 0.000) 24.280 8.638 ( 0.000 -4.419 0.000) 4.419 8.647 ( 0.000 -3.354 0.000) 3.354 9.415 ( 0.000 5.411 0.000) 5.411 9.599 ( 0.000 26.003 0.000) 26.003 9.827 ( 0.000 12.019 0.000) 12.019 10.140 ( 0.000 -3.884 0.000) 3.884 10.256 ( 0.000 -24.870 0.000) 24.870 10.496 ( 0.000 -0.581 0.000) 0.581 10.525 ( 0.000 -9.755 0.000) 9.755 10.592 ( 0.000 -2.245 0.000) 2.245 10.734 ( 0.000 1.906 0.000) 1.906 11.288 ( 0.000 -10.664 0.000) 10.664 11.568 ( 0.000 -3.439 0.000) 3.439 11.724 ( 0.000 0.182 0.000) 0.182 12.015 ( 0.000 13.744 0.000) 13.744 12.196 ( 0.000 9.943 0.000) 9.943 12.430 ( 0.000 7.178 0.000) 7.178 12.935 ( 0.000 11.988 0.000) 11.988 14.217 ( 0.000 -4.250 0.000) 4.250 14.434 ( 0.000 -2.176 0.000) 2.176 14.605 ( 0.000 -7.771 0.000) 7.771 14.691 ( 0.000 -4.483 0.000) 4.483 15.418 ( 0.000 5.746 0.000) 5.746 16.961 ( 0.000 0.687 0.000) 0.687 17.251 ( 0.000 -4.493 0.000) 4.493 17.747 ( 0.000 -8.498 0.000) 8.498 17.752 ( 0.000 -11.589 0.000) 11.589 18.273 ( 0.000 -3.589 0.000) 3.589 18.363 ( 0.000 -2.931 0.000) 2.931 19.704 ( 0.000 -16.377 0.000) 16.377 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.25 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 15.891 23.590 0.000) 28.443 1.404 ( 23.709 17.807 0.000) 29.652 2.064 ( -8.206 6.844 0.000) 10.685 2.386 ( -16.559 24.694 0.000) 29.731 2.549 ( 14.756 48.510 0.000) 50.705 3.071 ( 8.233 24.540 0.000) 25.884 3.447 ( -3.521 28.845 0.000) 29.060 3.689 ( 13.179 3.443 0.000) 13.621 3.849 ( -27.185 14.795 0.000) 30.950 4.269 ( -8.783 -1.943 0.000) 8.996 4.591 ( 1.563 -0.263 0.000) 1.585 4.639 ( 3.701 0.867 0.000) 3.801 6.084 ( 0.571 2.734 0.000) 2.793 6.183 ( -4.157 7.180 0.000) 8.297 6.742 ( 10.878 -2.714 0.000) 11.212 7.051 ( -1.128 0.963 0.000) 1.483 7.843 ( 13.680 12.051 0.000) 18.231 8.508 ( -2.032 5.823 0.000) 6.168 8.564 ( -6.114 16.498 0.000) 17.594 8.629 ( -1.651 -1.039 0.000) 1.950 9.431 ( 4.579 -2.148 0.000) 5.058 9.612 ( 1.319 24.508 0.000) 24.544 9.769 ( -4.493 15.612 0.000) 16.246 10.046 ( -10.730 -3.064 0.000) 11.159 10.205 ( -0.357 -13.221 0.000) 13.226 10.371 ( -8.801 -6.170 0.000) 10.748 10.623 ( 1.639 -1.478 0.000) 2.207 10.678 ( 2.233 -0.214 0.000) 2.244 10.813 ( 14.592 -3.821 0.000) 15.084 11.340 ( 4.497 -8.899 0.000) 9.970 11.490 ( -7.857 -4.150 0.000) 8.886 11.642 ( -6.553 -0.828 0.000) 6.605 12.034 ( 1.936 14.854 0.000) 14.980 12.243 ( 4.039 9.640 0.000) 10.452 12.346 ( -8.664 12.544 0.000) 15.245 12.600 ( -17.975 16.960 0.000) 24.713 14.266 ( 3.393 -3.088 0.000) 4.588 14.408 ( -2.190 -1.966 0.000) 2.943 14.620 ( 1.196 -7.802 0.000) 7.893 14.683 ( -0.854 -5.614 0.000) 5.678 15.469 ( 4.666 7.098 0.000) 8.495 16.082 ( -30.499 15.415 0.000) 34.174 17.602 ( 3.297 -4.154 0.000) 5.303 17.721 ( -2.187 -7.664 0.000) 7.970 18.091 ( 10.362 -17.069 0.000) 19.968 18.261 ( -1.157 -5.008 0.000) 5.140 18.784 ( 33.357 -18.649 0.000) 38.216 19.633 ( -6.675 -17.994 0.000) 19.192 ======================= Grid point 12 (9/120) ======================= q-point: (-0.50 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -14.554 11.824 0.000) 18.751 1.709 ( 14.554 11.824 0.000) 18.751 1.970 ( -18.285 20.654 0.000) 27.585 1.970 ( 18.285 20.654 0.000) 27.585 3.043 ( -21.334 32.260 0.000) 38.676 3.043 ( 21.334 32.260 0.000) 38.676 3.375 ( -2.127 27.635 0.000) 27.717 3.375 ( 2.127 27.635 0.000) 27.717 4.009 ( -13.862 -0.601 0.000) 13.875 4.009 ( 13.862 -0.601 0.000) 13.875 4.642 ( -2.219 -1.060 0.000) 2.459 4.642 ( 2.219 -1.060 0.000) 2.459 6.113 ( -2.128 4.038 0.000) 4.564 6.113 ( 2.128 4.038 0.000) 4.564 6.959 ( -7.288 -0.000 0.000) 7.288 6.959 ( 7.288 -0.000 0.000) 7.288 8.219 ( -17.736 7.066 0.000) 19.091 8.219 ( 17.736 7.066 0.000) 19.091 8.576 ( -2.711 8.187 0.000) 8.624 8.576 ( 2.711 8.187 0.000) 8.624 9.656 ( -7.565 21.764 0.000) 23.042 9.656 ( 7.565 21.764 0.000) 23.042 9.697 ( -13.070 -2.340 0.000) 13.278 9.697 ( 13.070 -2.340 0.000) 13.278 10.246 ( -3.375 -6.951 0.000) 7.727 10.246 ( 3.375 -6.951 0.000) 7.727 10.660 ( -1.602 -0.084 0.000) 1.604 10.660 ( 1.602 -0.084 0.000) 1.604 11.203 ( -16.703 -3.893 0.000) 17.150 11.203 ( 16.703 -3.893 0.000) 17.150 11.477 ( -7.359 -5.048 0.000) 8.924 11.477 ( 7.359 -5.048 0.000) 8.924 12.125 ( -7.056 18.390 0.000) 19.697 12.125 ( 7.056 18.390 0.000) 19.697 12.364 ( -6.656 9.574 0.000) 11.660 12.364 ( 6.656 9.574 0.000) 11.660 14.344 ( -3.353 -2.033 0.000) 3.921 14.344 ( 3.353 -2.033 0.000) 3.921 14.653 ( -1.629 -7.147 0.000) 7.331 14.653 ( 1.629 -7.147 0.000) 7.331 15.644 ( -11.821 11.170 0.000) 16.263 15.644 ( 11.821 11.170 0.000) 16.263 17.663 ( -2.707 -5.841 0.000) 6.437 17.663 ( 2.707 -5.841 0.000) 6.437 18.214 ( -3.171 -8.861 0.000) 9.411 18.214 ( 3.171 -8.861 0.000) 9.411 19.373 ( -17.766 -22.219 0.000) 28.449 19.373 ( 17.766 -22.219 0.000) 28.449 ======================= Grid point 15 (10/120) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 0.000 23.855 0.000) 23.855 1.702 ( 0.000 28.257 0.000) 28.257 2.238 ( 0.000 5.669 0.000) 5.669 3.096 ( 0.000 14.939 0.000) 14.939 3.240 ( 0.000 12.721 0.000) 12.721 3.394 ( 0.000 47.179 0.000) 47.179 3.623 ( 0.000 6.527 0.000) 6.527 4.109 ( 0.000 -8.897 0.000) 8.897 4.132 ( 0.000 31.567 0.000) 31.567 4.558 ( 0.000 -2.525 0.000) 2.525 4.602 ( 0.000 9.542 0.000) 9.542 4.727 ( 0.000 21.289 0.000) 21.289 6.161 ( 0.000 6.424 0.000) 6.424 6.533 ( 0.000 15.478 0.000) 15.478 6.546 ( 0.000 4.089 0.000) 4.089 7.088 ( 0.000 3.224 0.000) 3.224 8.055 ( 0.000 20.625 0.000) 20.625 8.484 ( 0.000 -10.187 0.000) 10.187 8.514 ( 0.000 -7.574 0.000) 7.574 8.922 ( 0.000 16.436 0.000) 16.436 9.549 ( 0.000 8.019 0.000) 8.019 9.818 ( 0.000 -15.330 0.000) 15.330 10.001 ( 0.000 -10.079 0.000) 10.079 10.105 ( 0.000 19.040 0.000) 19.040 10.107 ( 0.000 11.139 0.000) 11.139 10.390 ( 0.000 -3.392 0.000) 3.392 10.493 ( 0.000 0.494 0.000) 0.494 10.580 ( 0.000 3.806 0.000) 3.806 10.809 ( 0.000 6.491 0.000) 6.491 11.029 ( 0.000 -15.393 0.000) 15.393 11.495 ( 0.000 -3.738 0.000) 3.738 11.707 ( 0.000 -1.872 0.000) 1.872 12.326 ( 0.000 16.703 0.000) 16.703 12.350 ( 0.000 6.196 0.000) 6.196 12.526 ( 0.000 2.669 0.000) 2.669 13.244 ( 0.000 18.302 0.000) 18.302 14.066 ( 0.000 -11.015 0.000) 11.015 14.378 ( 0.000 -3.481 0.000) 3.481 14.440 ( 0.000 -8.456 0.000) 8.456 14.631 ( 0.000 -1.388 0.000) 1.388 15.542 ( 0.000 6.522 0.000) 6.522 16.957 ( 0.000 -1.858 0.000) 1.858 17.135 ( 0.000 -7.201 0.000) 7.201 17.514 ( 0.000 -11.084 0.000) 11.084 17.538 ( 0.000 -12.531 0.000) 12.531 18.199 ( 0.000 -3.577 0.000) 3.577 18.292 ( 0.000 -4.187 0.000) 4.187 19.367 ( 0.000 -16.986 0.000) 16.986 ======================= Grid point 16 (11/120) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 13.841 16.861 0.000) 21.814 1.801 ( 7.816 24.036 0.000) 25.275 2.235 ( -0.593 10.660 0.000) 10.676 2.747 ( -19.482 12.884 0.000) 23.357 3.436 ( 5.353 34.799 0.000) 35.208 3.498 ( 11.272 15.617 0.000) 19.260 3.773 ( 10.881 13.759 0.000) 17.541 4.025 ( -6.998 -1.451 0.000) 7.147 4.062 ( -5.242 26.240 0.000) 26.758 4.404 ( -13.416 17.528 0.000) 22.073 4.592 ( 2.848 1.533 0.000) 3.234 4.744 ( -1.244 12.121 0.000) 12.185 6.171 ( 1.189 6.812 0.000) 6.915 6.342 ( -6.888 9.639 0.000) 11.848 6.798 ( 11.633 7.869 0.000) 14.044 7.098 ( -0.357 3.619 0.000) 3.637 8.138 ( 7.456 16.764 0.000) 18.347 8.446 ( -2.886 -6.510 0.000) 7.121 8.531 ( 1.787 -6.416 0.000) 6.660 8.914 ( -7.468 12.407 0.000) 14.481 9.376 ( 0.747 -1.042 0.000) 1.282 9.915 ( -8.142 -7.194 0.000) 10.865 9.964 ( 4.350 4.039 0.000) 5.936 10.087 ( -2.080 10.571 0.000) 10.773 10.151 ( 3.719 11.703 0.000) 12.280 10.312 ( -5.076 -0.209 0.000) 5.080 10.618 ( 2.762 3.525 0.000) 4.478 10.650 ( 8.612 -2.092 0.000) 8.862 10.813 ( 4.985 3.676 0.000) 6.194 11.133 ( 8.195 -11.277 0.000) 13.940 11.401 ( -8.506 -4.567 0.000) 9.654 11.609 ( -8.437 -2.453 0.000) 8.787 12.323 ( 1.442 9.929 0.000) 10.033 12.435 ( 5.966 13.470 0.000) 14.732 12.487 ( -3.322 3.347 0.000) 4.716 12.983 ( -18.134 20.259 0.000) 27.190 14.148 ( 5.391 -8.744 0.000) 10.272 14.343 ( -2.777 -5.147 0.000) 5.849 14.467 ( 2.097 -6.608 0.000) 6.933 14.599 ( -2.666 -2.521 0.000) 3.669 15.613 ( 6.387 7.094 0.000) 9.546 16.294 ( -27.032 6.512 0.000) 27.806 17.498 ( 0.244 -7.601 0.000) 7.605 17.527 ( -0.909 -11.912 0.000) 11.947 17.740 ( 19.772 -15.743 0.000) 25.274 18.159 ( -3.638 -4.901 0.000) 6.104 18.526 ( 19.482 -9.621 0.000) 21.728 19.275 ( -8.362 -17.437 0.000) 19.339 ======================= Grid point 17 (12/120) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -1.945 12.887 0.000) 13.033 1.957 ( 1.945 12.887 0.000) 13.033 2.330 ( -14.448 16.861 0.000) 22.204 2.330 ( 14.448 16.861 0.000) 22.204 3.602 ( -5.113 16.608 0.000) 17.378 3.602 ( 5.113 16.608 0.000) 17.378 3.909 ( -0.603 23.253 0.000) 23.261 3.909 ( 0.603 23.253 0.000) 23.261 4.095 ( -12.556 13.563 0.000) 18.482 4.095 ( 12.556 13.563 0.000) 18.482 4.675 ( -4.103 6.717 0.000) 7.871 4.675 ( 4.103 6.717 0.000) 7.871 6.225 ( -3.733 8.022 0.000) 8.848 6.225 ( 3.733 8.022 0.000) 8.848 7.018 ( -7.129 5.539 0.000) 9.028 7.018 ( 7.129 5.539 0.000) 9.028 8.340 ( -7.816 3.890 0.000) 8.731 8.340 ( 7.816 3.890 0.000) 8.731 8.643 ( -10.062 1.215 0.000) 10.136 8.643 ( 10.062 1.215 0.000) 10.136 9.629 ( -15.665 -1.826 0.000) 15.771 9.629 ( 15.665 -1.826 0.000) 15.771 10.028 ( -2.606 11.279 0.000) 11.576 10.028 ( 2.606 11.279 0.000) 11.576 10.226 ( -2.902 3.846 0.000) 4.818 10.226 ( 2.902 3.846 0.000) 4.818 10.677 ( -2.029 3.372 0.000) 3.935 10.677 ( 2.029 3.372 0.000) 3.935 11.121 ( -15.783 -4.251 0.000) 16.345 11.121 ( 15.783 -4.251 0.000) 16.345 11.366 ( -11.871 -5.751 0.000) 13.191 11.366 ( 11.871 -5.751 0.000) 13.191 12.393 ( -4.383 6.179 0.000) 7.576 12.393 ( 4.383 6.179 0.000) 7.576 12.627 ( -11.974 18.673 0.000) 22.183 12.627 ( 11.974 18.673 0.000) 22.183 14.261 ( -4.450 -6.671 0.000) 8.019 14.261 ( 4.450 -6.671 0.000) 8.019 14.528 ( -3.245 -4.612 0.000) 5.639 14.528 ( 3.245 -4.612 0.000) 5.639 15.840 ( -14.378 8.201 0.000) 16.553 15.840 ( 14.378 8.201 0.000) 16.553 17.506 ( -0.760 -10.335 0.000) 10.363 17.506 ( 0.760 -10.335 0.000) 10.363 18.029 ( -8.251 -8.883 0.000) 12.124 18.029 ( 8.251 -8.883 0.000) 12.124 18.982 ( -17.815 -16.955 0.000) 24.594 18.982 ( 17.815 -16.955 0.000) 24.594 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 0.000 20.356 0.000) 20.356 2.211 ( 0.000 22.674 0.000) 22.674 2.383 ( 0.000 8.828 0.000) 8.828 3.260 ( 0.000 3.243 0.000) 3.243 3.401 ( 0.000 3.740 0.000) 3.740 3.743 ( 0.000 5.073 0.000) 5.073 3.912 ( 0.000 -10.797 0.000) 10.797 4.217 ( 0.000 32.386 0.000) 32.386 4.480 ( 0.000 -2.358 0.000) 2.358 4.710 ( 0.000 26.182 0.000) 26.182 4.849 ( 0.000 15.465 0.000) 15.465 5.199 ( 0.000 24.204 0.000) 24.204 6.359 ( 0.000 13.955 0.000) 13.955 6.734 ( 0.000 14.376 0.000) 14.376 6.864 ( 0.000 17.788 0.000) 17.788 7.168 ( 0.000 4.842 0.000) 4.842 8.274 ( 0.000 -10.079 0.000) 10.079 8.419 ( 0.000 -1.205 0.000) 1.205 8.459 ( 0.000 19.097 0.000) 19.097 9.159 ( 0.000 7.743 0.000) 7.743 9.576 ( 0.000 -8.718 0.000) 8.718 9.719 ( 0.000 8.690 0.000) 8.690 9.785 ( 0.000 -10.512 0.000) 10.512 10.148 ( 0.000 -4.671 0.000) 4.671 10.357 ( 0.000 6.168 0.000) 6.168 10.373 ( 0.000 1.238 0.000) 1.238 10.529 ( 0.000 3.167 0.000) 3.167 10.688 ( 0.000 -18.186 0.000) 18.186 10.784 ( 0.000 12.846 0.000) 12.846 11.020 ( 0.000 13.889 0.000) 13.889 11.442 ( 0.000 -0.643 0.000) 0.643 11.658 ( 0.000 -2.822 0.000) 2.822 12.456 ( 0.000 4.802 0.000) 4.802 12.546 ( 0.000 -0.389 0.000) 0.389 12.634 ( 0.000 13.650 0.000) 13.650 13.622 ( 0.000 19.118 0.000) 19.118 13.798 ( 0.000 -15.447 0.000) 15.447 14.284 ( 0.000 -7.136 0.000) 7.136 14.296 ( 0.000 -4.803 0.000) 4.803 14.624 ( 0.000 0.204 0.000) 0.204 15.667 ( 0.000 6.060 0.000) 6.060 16.843 ( 0.000 -9.951 0.000) 9.951 16.968 ( 0.000 -9.569 0.000) 9.569 17.260 ( 0.000 -15.387 0.000) 15.387 17.377 ( 0.000 -1.893 0.000) 1.893 18.142 ( 0.000 -2.003 0.000) 2.003 18.198 ( 0.000 -5.301 0.000) 5.301 19.052 ( 0.000 -14.663 0.000) 14.663 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.25 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 5.599 15.650 0.000) 16.621 2.239 ( 1.570 19.689 0.000) 19.752 2.470 ( 6.525 12.428 0.000) 14.037 2.942 ( -16.115 7.676 0.000) 17.850 3.653 ( 9.323 1.162 0.000) 9.395 3.716 ( -1.420 4.087 0.000) 4.327 3.912 ( 1.990 -8.180 0.000) 8.419 4.272 ( -1.818 8.231 0.000) 8.430 4.397 ( 0.819 23.470 0.000) 23.485 4.768 ( -6.787 18.647 0.000) 19.844 4.812 ( 6.708 20.946 0.000) 21.994 5.132 ( -5.619 23.558 0.000) 24.219 6.377 ( 1.833 14.225 0.000) 14.343 6.593 ( -7.400 15.860 0.000) 17.502 7.021 ( 8.430 13.988 0.000) 16.331 7.192 ( 1.135 5.913 0.000) 6.021 8.285 ( 0.978 -8.631 0.000) 8.686 8.369 ( -2.616 1.097 0.000) 2.837 8.543 ( 6.139 12.942 0.000) 14.325 9.065 ( -13.153 4.256 0.000) 13.824 9.408 ( 3.777 2.996 0.000) 4.821 9.752 ( -3.511 -8.091 0.000) 8.820 10.027 ( 11.668 4.595 0.000) 12.540 10.157 ( 0.650 -2.727 0.000) 2.804 10.297 ( -3.545 -0.260 0.000) 3.554 10.320 ( -3.926 1.500 0.000) 4.203 10.615 ( 7.604 -2.106 0.000) 7.891 10.797 ( 0.787 10.630 0.000) 10.659 10.829 ( 10.276 -6.776 0.000) 12.309 11.070 ( 5.146 10.608 0.000) 11.790 11.338 ( -8.998 -0.399 0.000) 9.006 11.554 ( -9.008 -2.702 0.000) 9.404 12.433 ( -0.632 3.617 0.000) 3.671 12.515 ( -2.531 -0.110 0.000) 2.533 12.740 ( 8.163 14.311 0.000) 16.476 13.338 ( -16.911 13.284 0.000) 21.505 13.963 ( 7.659 -7.615 0.000) 10.801 14.207 ( -4.008 -7.594 0.000) 8.587 14.371 ( 3.883 -3.756 0.000) 5.403 14.574 ( -4.024 -0.477 0.000) 4.052 15.740 ( 6.529 5.751 0.000) 8.701 16.357 ( -21.576 0.183 0.000) 21.576 17.236 ( 2.708 -17.111 0.000) 17.324 17.256 ( -0.284 -15.214 0.000) 15.217 17.571 ( 16.676 -2.531 0.000) 16.867 18.081 ( -5.425 -2.710 0.000) 6.064 18.359 ( 13.166 -7.747 0.000) 15.276 18.960 ( -8.171 -14.349 0.000) 16.512 ======================= Grid point 22 (15/120) ======================= q-point: (-0.50 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -4.991 12.881 0.000) 13.814 2.213 ( 4.991 12.881 0.000) 13.814 2.644 ( -9.785 14.585 0.000) 17.564 2.644 ( 9.785 14.585 0.000) 17.564 3.712 ( -0.826 -0.781 0.000) 1.137 3.712 ( 0.826 -0.781 0.000) 1.137 4.080 ( -10.538 -1.720 0.000) 10.678 4.080 ( 10.538 -1.720 0.000) 10.678 4.573 ( -9.837 26.356 0.000) 28.132 4.573 ( 9.837 26.356 0.000) 28.132 4.976 ( -7.646 21.561 0.000) 22.877 4.976 ( 7.646 21.561 0.000) 22.877 6.452 ( -4.931 15.067 0.000) 15.853 6.452 ( 4.931 15.067 0.000) 15.853 7.168 ( -3.941 9.548 0.000) 10.329 7.168 ( 3.941 9.548 0.000) 10.329 8.317 ( -1.890 -4.435 0.000) 4.821 8.317 ( 1.890 -4.435 0.000) 4.821 8.748 ( -12.371 8.675 0.000) 15.109 8.748 ( 12.371 8.675 0.000) 15.109 9.602 ( -9.545 -1.408 0.000) 9.648 9.602 ( 9.545 -1.408 0.000) 9.648 10.161 ( -1.393 4.198 0.000) 4.423 10.161 ( 1.393 4.198 0.000) 4.423 10.254 ( -0.703 -1.876 0.000) 2.004 10.254 ( 0.703 -1.876 0.000) 2.004 10.779 ( -3.899 2.002 0.000) 4.383 10.779 ( 3.899 2.002 0.000) 4.383 11.078 ( -12.375 2.076 0.000) 12.548 11.078 ( 12.375 2.076 0.000) 12.548 11.288 ( -13.122 -0.349 0.000) 13.126 11.288 ( 13.122 -0.349 0.000) 13.126 12.454 ( -2.327 1.223 0.000) 2.629 12.454 ( 2.327 1.223 0.000) 2.629 12.983 ( -13.643 15.121 0.000) 20.366 12.983 ( 13.643 15.121 0.000) 20.366 14.105 ( -5.247 -7.814 0.000) 9.413 14.105 ( 5.247 -7.814 0.000) 9.413 14.469 ( -4.807 -1.949 0.000) 5.188 14.469 ( 4.807 -1.949 0.000) 5.188 15.963 ( -13.540 4.412 0.000) 14.241 15.963 ( 13.540 4.412 0.000) 14.241 17.251 ( -0.123 -15.108 0.000) 15.109 17.251 ( 0.123 -15.108 0.000) 15.109 17.895 ( -11.299 -4.285 0.000) 12.084 17.895 ( 11.299 -4.285 0.000) 12.084 18.696 ( -14.749 -12.375 0.000) 19.253 18.696 ( 14.749 -12.375 0.000) 19.253 ======================= Grid point 25 (16/120) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 0.000 17.180 0.000) 17.180 2.577 ( 0.000 10.467 0.000) 10.467 2.590 ( 0.000 15.758 0.000) 15.758 3.276 ( 0.000 -0.807 0.000) 0.807 3.413 ( 0.000 -1.745 0.000) 1.745 3.691 ( 0.000 -11.354 0.000) 11.354 3.803 ( 0.000 0.684 0.000) 0.684 4.241 ( 0.000 -11.140 0.000) 11.140 4.892 ( 0.000 25.466 0.000) 25.466 5.150 ( 0.000 18.054 0.000) 18.054 5.203 ( 0.000 19.689 0.000) 19.689 5.624 ( 0.000 17.903 0.000) 17.903 6.705 ( 0.000 20.295 0.000) 20.295 7.087 ( 0.000 20.639 0.000) 20.639 7.221 ( 0.000 17.790 0.000) 17.790 7.281 ( 0.000 6.538 0.000) 6.538 8.114 ( 0.000 -5.741 0.000) 5.741 8.468 ( 0.000 5.568 0.000) 5.568 8.758 ( 0.000 9.821 0.000) 9.821 9.229 ( 0.000 -1.011 0.000) 1.011 9.460 ( 0.000 -3.394 0.000) 3.394 9.627 ( 0.000 -4.555 0.000) 4.555 9.878 ( 0.000 7.331 0.000) 7.331 10.013 ( 0.000 -8.014 0.000) 8.014 10.274 ( 0.000 -20.749 0.000) 20.749 10.408 ( 0.000 0.198 0.000) 0.198 10.432 ( 0.000 4.637 0.000) 4.637 10.687 ( 0.000 10.459 0.000) 10.459 10.941 ( 0.000 1.982 0.000) 1.982 11.282 ( 0.000 10.979 0.000) 10.979 11.515 ( 0.000 7.972 0.000) 7.972 11.608 ( 0.000 -1.851 0.000) 1.851 12.521 ( 0.000 -1.757 0.000) 1.757 12.553 ( 0.000 5.296 0.000) 5.296 12.848 ( 0.000 7.788 0.000) 7.788 13.475 ( 0.000 -16.904 0.000) 16.904 13.977 ( 0.000 16.352 0.000) 16.352 14.159 ( 0.000 -5.599 0.000) 5.599 14.190 ( 0.000 -5.830 0.000) 5.830 14.626 ( 0.000 -0.175 0.000) 0.175 15.783 ( 0.000 5.801 0.000) 5.801 16.611 ( 0.000 -11.992 0.000) 11.992 16.765 ( 0.000 -10.735 0.000) 10.735 16.941 ( 0.000 -16.536 0.000) 16.536 17.412 ( 0.000 4.370 0.000) 4.370 18.084 ( 0.000 -6.251 0.000) 6.251 18.126 ( 0.000 0.538 0.000) 0.538 18.788 ( 0.000 -12.054 0.000) 12.054 ======================= Grid point 26 (17/120) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 1.506 14.883 0.000) 14.959 2.573 ( -2.487 14.159 0.000) 14.376 2.709 ( 8.987 11.486 0.000) 14.584 3.070 ( -9.270 5.546 0.000) 10.803 3.597 ( 4.493 -6.026 0.000) 7.517 3.730 ( 7.251 -9.664 0.000) 12.082 3.743 ( -4.661 -1.116 0.000) 4.793 4.161 ( -6.731 -10.163 0.000) 12.190 4.941 ( 3.995 24.166 0.000) 24.494 5.156 ( -3.906 20.210 0.000) 20.584 5.220 ( 5.974 18.088 0.000) 19.049 5.557 ( -5.703 18.118 0.000) 18.994 6.724 ( 1.990 20.093 0.000) 20.191 6.956 ( -7.495 20.151 0.000) 21.500 7.330 ( 5.234 16.684 0.000) 17.486 7.332 ( 3.668 8.103 0.000) 8.894 8.145 ( 2.932 -4.888 0.000) 5.700 8.392 ( -5.907 3.067 0.000) 6.656 8.798 ( 3.315 9.751 0.000) 10.299 9.113 ( -9.722 0.533 0.000) 9.736 9.449 ( 3.696 0.592 0.000) 3.743 9.620 ( -0.969 -4.811 0.000) 4.908 10.039 ( 1.919 -7.870 0.000) 8.101 10.119 ( 12.616 1.982 0.000) 12.771 10.169 ( -3.330 -9.862 0.000) 10.409 10.394 ( -2.749 5.718 0.000) 6.345 10.524 ( 5.712 -4.960 0.000) 7.565 10.809 ( 11.484 5.744 0.000) 12.841 10.893 ( -4.819 -0.917 0.000) 4.906 11.319 ( 3.109 11.299 0.000) 11.719 11.420 ( -8.850 5.941 0.000) 10.659 11.532 ( -5.598 2.396 0.000) 6.089 12.497 ( -1.773 -1.226 0.000) 2.156 12.501 ( -2.929 3.765 0.000) 4.770 12.956 ( 8.108 7.129 0.000) 10.796 13.382 ( -7.781 -8.558 0.000) 11.566 13.978 ( 0.433 9.012 0.000) 9.022 14.073 ( -3.757 -5.435 0.000) 6.607 14.296 ( 5.720 -4.066 0.000) 7.018 14.565 ( -4.984 -0.700 0.000) 5.033 15.844 ( 5.402 4.933 0.000) 7.316 16.320 ( -15.279 -3.174 0.000) 15.605 16.899 ( 3.490 -16.301 0.000) 16.671 16.939 ( -0.183 -16.474 0.000) 16.475 17.576 ( 12.446 2.478 0.000) 12.690 18.057 ( -6.084 0.368 0.000) 6.095 18.210 ( 10.275 -7.443 0.000) 12.687 18.705 ( -7.304 -11.577 0.000) 13.688 ======================= Grid point 27 (18/120) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( -5.972 12.575 0.000) 13.921 2.465 ( 5.972 12.575 0.000) 13.921 2.900 ( -7.350 11.316 0.000) 13.493 2.900 ( 7.350 11.316 0.000) 13.493 3.644 ( -3.064 -5.671 0.000) 6.446 3.644 ( 3.064 -5.671 0.000) 6.446 3.962 ( -10.531 -8.708 0.000) 13.665 3.962 ( 10.531 -8.708 0.000) 13.665 5.049 ( -5.192 21.764 0.000) 22.374 5.049 ( 5.192 21.764 0.000) 22.374 5.391 ( -8.405 18.328 0.000) 20.163 5.391 ( 8.405 18.328 0.000) 20.163 6.807 ( -5.406 19.985 0.000) 20.703 6.807 ( 5.406 19.985 0.000) 20.703 7.389 ( -0.342 12.361 0.000) 12.366 7.389 ( 0.342 12.361 0.000) 12.366 8.248 ( -6.066 -1.493 0.000) 6.247 8.248 ( 6.066 -1.493 0.000) 6.247 8.912 ( -7.127 6.559 0.000) 9.686 8.912 ( 7.127 6.559 0.000) 9.686 9.562 ( -4.504 -2.765 0.000) 5.285 9.562 ( 4.504 -2.765 0.000) 5.285 10.083 ( -2.235 -9.362 0.000) 9.625 10.083 ( 2.235 -9.362 0.000) 9.625 10.329 ( -3.818 7.399 0.000) 8.326 10.329 ( 3.818 7.399 0.000) 8.326 10.711 ( -10.575 -5.816 0.000) 12.069 10.711 ( 10.575 -5.816 0.000) 12.069 11.134 ( -15.376 2.300 0.000) 15.547 11.134 ( 15.376 2.300 0.000) 15.547 11.410 ( -4.839 10.161 0.000) 11.255 11.410 ( 4.839 10.161 0.000) 11.255 12.468 ( -0.219 0.798 0.000) 0.828 12.468 ( 0.219 0.798 0.000) 0.828 13.168 ( -10.257 2.648 0.000) 10.593 13.168 ( 10.257 2.648 0.000) 10.593 14.007 ( -2.155 -1.039 0.000) 2.393 14.007 ( 2.155 -1.039 0.000) 2.393 14.432 ( -6.303 -2.103 0.000) 6.645 14.432 ( 6.303 -2.103 0.000) 6.645 16.025 ( -10.733 2.209 0.000) 10.958 16.025 ( 10.733 2.209 0.000) 10.958 16.932 ( -0.488 -16.463 0.000) 16.470 16.932 ( 0.488 -16.463 0.000) 16.470 17.859 ( -11.369 0.409 0.000) 11.377 17.859 ( 11.369 0.409 0.000) 11.377 18.478 ( -12.174 -9.916 0.000) 15.702 18.478 ( 12.174 -9.916 0.000) 15.702 ======================= Grid point 30 (19/120) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( 0.000 13.797 0.000) 13.797 2.781 ( 0.000 9.683 0.000) 9.683 2.847 ( 0.000 10.745 0.000) 10.745 3.248 ( 0.000 -1.835 0.000) 1.835 3.360 ( 0.000 -3.054 0.000) 3.054 3.474 ( 0.000 -10.190 0.000) 10.190 3.773 ( 0.000 -3.273 0.000) 3.273 3.998 ( 0.000 -12.542 0.000) 12.542 5.294 ( 0.000 15.311 0.000) 15.311 5.426 ( 0.000 9.928 0.000) 9.928 5.588 ( 0.000 18.026 0.000) 18.026 5.893 ( 0.000 9.162 0.000) 9.162 7.113 ( 0.000 19.428 0.000) 19.428 7.417 ( 0.000 6.585 0.000) 6.585 7.521 ( 0.000 21.931 0.000) 21.931 7.542 ( 0.000 13.984 0.000) 13.984 8.057 ( 0.000 0.611 0.000) 0.611 8.601 ( 0.000 6.864 0.000) 6.864 8.835 ( 0.000 -0.927 0.000) 0.927 9.096 ( 0.000 -13.095 0.000) 13.095 9.434 ( 0.000 0.731 0.000) 0.731 9.607 ( 0.000 1.608 0.000) 1.608 9.854 ( 0.000 -7.582 0.000) 7.582 9.884 ( 0.000 -16.896 0.000) 16.896 10.024 ( 0.000 7.229 0.000) 7.229 10.384 ( 0.000 -2.582 0.000) 2.582 10.553 ( 0.000 7.227 0.000) 7.227 10.908 ( 0.000 -3.917 0.000) 3.917 10.938 ( 0.000 13.918 0.000) 13.918 11.418 ( 0.000 2.478 0.000) 2.478 11.598 ( 0.000 1.162 0.000) 1.162 11.680 ( 0.000 6.536 0.000) 6.536 12.505 ( 0.000 1.202 0.000) 1.202 12.675 ( 0.000 7.074 0.000) 7.074 12.944 ( 0.000 1.970 0.000) 1.970 13.143 ( 0.000 -16.372 0.000) 16.372 14.061 ( 0.000 -4.289 0.000) 4.289 14.076 ( 0.000 -5.309 0.000) 5.309 14.258 ( 0.000 11.939 0.000) 11.939 14.610 ( 0.000 -1.573 0.000) 1.573 15.908 ( 0.000 7.197 0.000) 7.197 16.412 ( 0.000 -7.388 0.000) 7.388 16.557 ( 0.000 -9.805 0.000) 9.805 16.616 ( 0.000 -16.003 0.000) 16.003 17.524 ( 0.000 6.571 0.000) 6.571 17.952 ( 0.000 -6.974 0.000) 6.974 18.164 ( 0.000 3.322 0.000) 3.322 18.571 ( 0.000 -9.944 0.000) 9.944 ======================= Grid point 31 (20/120) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 0.077 13.630 0.000) 13.631 2.814 ( -3.610 10.717 0.000) 11.308 2.913 ( 8.408 8.598 0.000) 12.025 3.172 ( -2.173 4.990 0.000) 5.443 3.432 ( -0.077 -10.055 0.000) 10.056 3.552 ( 9.403 -8.116 0.000) 12.421 3.682 ( -7.326 -4.414 0.000) 8.553 3.937 ( -5.349 -11.720 0.000) 12.882 5.332 ( 3.256 15.452 0.000) 15.791 5.499 ( 6.117 9.929 0.000) 11.662 5.539 ( -4.041 17.575 0.000) 18.034 5.829 ( -5.473 9.233 0.000) 10.734 7.126 ( 1.639 19.233 0.000) 19.303 7.353 ( -7.807 18.877 0.000) 20.427 7.492 ( 5.673 7.069 0.000) 9.064 7.650 ( 2.134 14.095 0.000) 14.256 8.113 ( 5.286 2.751 0.000) 5.960 8.488 ( -8.223 6.399 0.000) 10.420 8.888 ( 3.257 -0.620 0.000) 3.315 9.047 ( -3.850 -8.875 0.000) 9.674 9.445 ( 1.964 0.251 0.000) 1.980 9.574 ( -2.473 0.143 0.000) 2.477 9.872 ( -0.513 -14.376 0.000) 14.385 9.873 ( 0.933 -8.454 0.000) 8.505 10.210 ( 13.589 4.106 0.000) 14.196 10.458 ( 5.235 -2.654 0.000) 5.869 10.529 ( -1.820 7.304 0.000) 7.527 10.831 ( -6.920 -4.071 0.000) 8.028 10.998 ( 6.025 12.160 0.000) 13.571 11.463 ( 3.726 2.690 0.000) 4.595 11.481 ( -9.662 2.790 0.000) 10.057 11.652 ( -2.751 5.387 0.000) 6.049 12.498 ( -0.274 2.335 0.000) 2.351 12.601 ( -4.736 6.679 0.000) 8.188 13.015 ( 4.536 -1.122 0.000) 4.673 13.135 ( -0.779 -14.278 0.000) 14.299 14.006 ( -0.282 -1.192 0.000) 1.224 14.189 ( -5.474 10.431 0.000) 11.780 14.207 ( 7.167 -4.942 0.000) 8.706 14.539 ( -5.874 -2.084 0.000) 6.233 15.950 ( 3.691 6.193 0.000) 7.209 16.262 ( -9.239 -1.930 0.000) 9.438 16.605 ( 1.517 -13.199 0.000) 13.286 16.617 ( 0.060 -15.740 0.000) 15.740 17.655 ( 10.177 5.275 0.000) 11.463 18.063 ( 8.939 -7.454 0.000) 11.639 18.095 ( -6.089 3.369 0.000) 6.959 18.496 ( -6.531 -9.589 0.000) 11.602 ======================= Grid point 32 (21/120) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( -4.416 12.231 0.000) 13.004 2.710 ( 4.416 12.231 0.000) 13.004 3.092 ( -6.452 7.850 0.000) 10.161 3.092 ( 6.452 7.850 0.000) 10.161 3.502 ( -7.035 -7.924 0.000) 10.597 3.502 ( 7.035 -7.924 0.000) 10.597 3.770 ( -9.150 -10.205 0.000) 13.706 3.770 ( 9.150 -10.205 0.000) 13.706 5.430 ( -5.119 16.429 0.000) 17.208 5.430 ( 5.119 16.429 0.000) 17.208 5.668 ( -8.186 9.560 0.000) 12.586 5.668 ( 8.186 9.560 0.000) 12.586 7.203 ( -5.262 19.058 0.000) 19.771 7.203 ( 5.262 19.058 0.000) 19.771 7.618 ( -4.443 9.072 0.000) 10.102 7.618 ( 4.443 9.072 0.000) 10.102 8.284 ( -9.216 5.839 0.000) 10.910 8.284 ( 9.216 5.839 0.000) 10.910 8.961 ( -3.446 -2.828 0.000) 4.458 8.961 ( 3.446 -2.828 0.000) 4.458 9.510 ( -3.147 -1.308 0.000) 3.408 9.510 ( 3.147 -1.308 0.000) 3.408 9.875 ( -0.530 -10.784 0.000) 10.797 9.875 ( 0.530 -10.784 0.000) 10.797 10.465 ( -5.572 5.476 0.000) 7.813 10.465 ( 5.572 5.476 0.000) 7.813 10.615 ( -10.515 -3.394 0.000) 11.049 10.615 ( 10.515 -3.394 0.000) 11.049 11.216 ( -12.414 6.609 0.000) 14.063 11.216 ( 12.414 6.609 0.000) 14.063 11.564 ( -4.703 3.787 0.000) 6.038 11.564 ( 4.703 3.787 0.000) 6.038 12.516 ( -2.334 4.884 0.000) 5.413 12.516 ( 2.334 4.884 0.000) 5.413 13.099 ( -2.659 -8.263 0.000) 8.680 13.099 ( 2.659 -8.263 0.000) 8.680 14.061 ( -4.875 5.392 0.000) 7.269 14.061 ( 4.875 5.392 0.000) 7.269 14.378 ( -7.837 -3.475 0.000) 8.573 14.378 ( 7.837 -3.475 0.000) 8.573 16.072 ( -7.176 3.182 0.000) 7.850 16.072 ( 7.176 3.182 0.000) 7.850 16.618 ( -0.058 -14.952 0.000) 14.952 16.618 ( 0.058 -14.952 0.000) 14.952 17.903 ( -10.610 3.802 0.000) 11.270 17.903 ( 10.610 3.802 0.000) 11.270 18.296 ( -10.649 -8.596 0.000) 13.686 18.296 ( 10.649 -8.596 0.000) 13.686 ======================= Grid point 35 (22/120) ======================= q-point: ( 0.00 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( 0.000 7.035 0.000) 7.035 2.929 ( 0.000 4.109 0.000) 4.109 3.035 ( 0.000 8.614 0.000) 8.614 3.185 ( 0.000 -5.633 0.000) 5.633 3.310 ( 0.000 -1.580 0.000) 1.580 3.321 ( 0.000 -3.859 0.000) 3.859 3.715 ( 0.000 -1.087 0.000) 1.087 3.782 ( 0.000 -8.095 0.000) 8.095 5.505 ( 0.000 6.196 0.000) 6.196 5.545 ( 0.000 2.103 0.000) 2.103 5.875 ( 0.000 10.299 0.000) 10.299 5.981 ( 0.000 -0.357 0.000) 0.357 7.417 ( 0.000 10.217 0.000) 10.217 7.503 ( 0.000 1.016 0.000) 1.016 7.756 ( 0.000 7.336 0.000) 7.336 7.810 ( 0.000 3.708 0.000) 3.708 8.244 ( 0.000 20.504 0.000) 20.504 8.713 ( 0.000 4.285 0.000) 4.285 8.717 ( 0.000 -23.796 0.000) 23.796 8.783 ( 0.000 -3.251 0.000) 3.251 9.487 ( 0.000 4.623 0.000) 4.623 9.623 ( 0.000 -9.535 0.000) 9.535 9.654 ( 0.000 2.789 0.000) 2.789 9.727 ( 0.000 -5.008 0.000) 5.008 10.174 ( 0.000 7.449 0.000) 7.449 10.304 ( 0.000 -5.489 0.000) 5.489 10.696 ( 0.000 6.780 0.000) 6.780 10.815 ( 0.000 -5.323 0.000) 5.323 11.200 ( 0.000 11.850 0.000) 11.850 11.381 ( 0.000 -5.920 0.000) 5.920 11.655 ( 0.000 4.160 0.000) 4.160 11.726 ( 0.000 -1.740 0.000) 1.740 12.604 ( 0.000 8.923 0.000) 8.923 12.820 ( 0.000 7.007 0.000) 7.007 12.838 ( 0.000 -14.097 0.000) 14.097 12.928 ( 0.000 -3.423 0.000) 3.423 13.997 ( 0.000 -1.876 0.000) 1.876 13.998 ( 0.000 -2.143 0.000) 2.143 14.449 ( 0.000 7.411 0.000) 7.411 14.558 ( 0.000 -3.878 0.000) 3.878 16.080 ( 0.000 10.336 0.000) 10.336 16.319 ( 0.000 -13.769 0.000) 13.769 16.335 ( 0.000 -0.307 0.000) 0.307 16.395 ( 0.000 -6.071 0.000) 6.071 17.663 ( 0.000 7.337 0.000) 7.337 17.810 ( 0.000 -7.382 0.000) 7.382 18.256 ( 0.000 5.859 0.000) 5.859 18.394 ( 0.000 -8.011 0.000) 8.011 ======================= Grid point 36 (23/120) ======================= q-point: ( 0.25 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( 1.049 10.128 0.000) 10.183 3.010 ( 5.347 -0.134 0.000) 5.349 3.015 ( -2.300 10.006 0.000) 10.267 3.215 ( 1.737 -9.313 0.000) 9.474 3.285 ( -0.100 4.388 0.000) 4.389 3.405 ( 6.425 -6.825 0.000) 9.374 3.624 ( -7.377 0.373 0.000) 7.386 3.725 ( -5.096 -8.973 0.000) 10.319 5.555 ( 4.311 7.091 0.000) 8.299 5.611 ( 5.542 1.430 0.000) 5.723 5.817 ( -4.852 9.935 0.000) 11.056 5.919 ( -5.300 -0.250 0.000) 5.305 7.440 ( 2.359 11.666 0.000) 11.902 7.565 ( 4.778 -0.797 0.000) 4.844 7.660 ( -6.211 11.409 0.000) 12.990 7.788 ( -2.993 -0.879 0.000) 3.119 8.329 ( 6.538 18.765 0.000) 19.871 8.637 ( -5.469 8.424 0.000) 10.043 8.743 ( 1.956 -20.398 0.000) 20.492 8.801 ( 0.351 -7.283 0.000) 7.292 9.496 ( 1.141 4.952 0.000) 5.082 9.615 ( -2.901 3.813 0.000) 4.791 9.637 ( 1.289 -9.356 0.000) 9.444 9.720 ( -1.005 -6.723 0.000) 6.798 10.301 ( 10.036 4.936 0.000) 11.185 10.393 ( 6.985 -4.057 0.000) 8.078 10.659 ( -3.315 5.493 0.000) 6.416 10.751 ( -5.732 -4.112 0.000) 7.054 11.243 ( 3.990 11.605 0.000) 12.272 11.425 ( 3.825 -6.122 0.000) 7.218 11.569 ( -7.110 5.735 0.000) 9.135 11.670 ( -4.695 -3.232 0.000) 5.700 12.617 ( 1.344 9.644 0.000) 9.737 12.760 ( -4.185 8.888 0.000) 9.824 12.854 ( 1.367 -13.629 0.000) 13.697 12.926 ( -0.759 -7.173 0.000) 7.213 14.025 ( 4.567 2.918 0.000) 5.419 14.107 ( 7.144 -4.924 0.000) 8.677 14.365 ( -6.896 7.233 0.000) 9.994 14.477 ( -6.687 -4.263 0.000) 7.930 16.103 ( 2.033 9.491 0.000) 9.706 16.269 ( -4.550 3.002 0.000) 5.452 16.328 ( 0.783 -13.206 0.000) 13.229 16.386 ( -1.166 -8.702 0.000) 8.780 17.776 ( 8.941 6.731 0.000) 11.191 17.916 ( 8.547 -7.327 0.000) 11.258 18.187 ( -5.982 5.867 0.000) 8.379 18.324 ( -6.086 -7.850 0.000) 9.933 ======================= Grid point 37 (24/120) ======================= q-point: (-0.50 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( -3.124 11.628 0.000) 12.040 2.948 ( 3.124 11.628 0.000) 12.040 3.140 ( -5.703 -5.575 0.000) 7.976 3.140 ( 5.703 -5.575 0.000) 7.976 3.425 ( -9.258 3.307 0.000) 9.831 3.425 ( 9.258 3.307 0.000) 9.831 3.572 ( -7.843 -9.464 0.000) 12.291 3.572 ( 7.843 -9.464 0.000) 12.291 5.683 ( -6.509 8.743 0.000) 10.900 5.683 ( 6.509 8.743 0.000) 10.900 5.767 ( -7.609 0.344 0.000) 7.616 5.767 ( 7.609 0.344 0.000) 7.616 7.527 ( -5.203 12.932 0.000) 13.940 7.527 ( 5.203 12.932 0.000) 13.940 7.687 ( -5.519 -2.631 0.000) 6.114 7.687 ( 5.519 -2.631 0.000) 6.114 8.491 ( -7.274 14.299 0.000) 16.042 8.491 ( 7.274 14.299 0.000) 16.042 8.786 ( -1.527 -13.655 0.000) 13.740 8.786 ( 1.527 -13.655 0.000) 13.740 9.544 ( -3.013 4.703 0.000) 5.585 9.544 ( 3.013 4.703 0.000) 5.585 9.680 ( -2.281 -8.633 0.000) 8.929 9.680 ( 2.281 -8.633 0.000) 8.929 10.537 ( -8.462 2.236 0.000) 8.752 10.537 ( 8.462 2.236 0.000) 8.752 10.571 ( -8.917 -1.535 0.000) 9.049 10.571 ( 8.917 -1.535 0.000) 9.049 11.383 ( -8.174 9.343 0.000) 12.414 11.383 ( 8.174 9.343 0.000) 12.414 11.541 ( -6.098 -5.536 0.000) 8.236 11.541 ( 6.098 -5.536 0.000) 8.236 12.670 ( -3.388 10.220 0.000) 10.767 12.670 ( 3.388 10.220 0.000) 10.767 12.893 ( -1.900 -11.601 0.000) 11.756 12.893 ( 1.900 -11.601 0.000) 11.756 14.181 ( -8.515 6.175 0.000) 10.518 14.181 ( 8.515 6.175 0.000) 10.518 14.293 ( -8.941 -5.072 0.000) 10.279 14.293 ( 8.941 -5.072 0.000) 10.279 16.170 ( -3.891 6.984 0.000) 7.995 16.170 ( 3.891 6.984 0.000) 7.995 16.353 ( -1.429 -11.521 0.000) 11.610 16.353 ( 1.429 -11.521 0.000) 11.610 18.002 ( -10.025 6.048 0.000) 11.708 18.002 ( 10.025 6.048 0.000) 11.708 18.137 ( -9.985 -7.500 0.000) 12.488 18.137 ( 9.985 -7.500 0.000) 12.488 ======================= Grid point 75 (25/120) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 0.000 0.000 26.779) 26.779 0.712 ( 0.000 0.000 32.701) 32.701 1.121 ( 0.000 0.000 51.595) 51.595 1.657 ( 0.000 0.000 3.495) 3.495 2.162 ( 0.000 0.000 -4.880) 4.880 2.407 ( 0.000 0.000 0.999) 0.999 2.731 ( 0.000 0.000 -0.662) 0.662 3.257 ( 0.000 0.000 -10.622) 10.622 4.218 ( 0.000 0.000 -12.222) 12.222 4.341 ( 0.000 0.000 -8.272) 8.272 4.482 ( 0.000 0.000 14.687) 14.687 4.696 ( 0.000 0.000 7.497) 7.497 6.011 ( 0.000 0.000 1.091) 1.091 6.040 ( 0.000 0.000 1.342) 1.342 7.002 ( 0.000 0.000 -14.054) 14.054 7.216 ( 0.000 0.000 11.762) 11.762 7.504 ( 0.000 0.000 1.242) 1.242 7.749 ( 0.000 0.000 18.264) 18.264 7.807 ( 0.000 0.000 -0.392) 0.392 8.504 ( 0.000 0.000 1.877) 1.877 8.523 ( 0.000 0.000 1.918) 1.918 9.175 ( 0.000 0.000 -11.272) 11.272 9.841 ( 0.000 0.000 4.869) 4.869 10.212 ( 0.000 0.000 1.713) 1.713 10.296 ( 0.000 0.000 2.147) 2.147 10.509 ( 0.000 0.000 -0.642) 0.642 10.536 ( 0.000 0.000 -7.516) 7.516 10.543 ( 0.000 0.000 -9.858) 9.858 11.254 ( 0.000 0.000 1.321) 1.321 11.362 ( 0.000 0.000 -12.360) 12.360 11.578 ( 0.000 0.000 6.688) 6.688 11.594 ( 0.000 0.000 -7.419) 7.419 11.628 ( 0.000 0.000 -1.836) 1.836 11.792 ( 0.000 0.000 4.232) 4.232 12.194 ( 0.000 0.000 3.188) 3.188 12.250 ( 0.000 0.000 5.801) 5.801 12.725 ( 0.000 0.000 -1.429) 1.429 13.989 ( 0.000 0.000 -28.455) 28.455 14.471 ( 0.000 0.000 -0.237) 0.237 14.518 ( 0.000 0.000 -7.310) 7.310 15.432 ( 0.000 0.000 17.161) 17.161 16.719 ( 0.000 0.000 -16.220) 16.220 17.761 ( 0.000 0.000 -2.157) 2.157 17.843 ( 0.000 0.000 -8.644) 8.644 18.192 ( 0.000 0.000 15.704) 15.704 18.503 ( 0.000 0.000 7.381) 7.381 20.145 ( 0.000 0.000 5.032) 5.032 20.734 ( 0.000 0.000 -2.198) 2.198 ======================= Grid point 76 (26/120) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 16.026 0.000 18.081) 24.161 0.850 ( 20.546 0.000 16.526) 26.368 1.516 ( -11.568 0.000 5.138) 12.658 1.752 ( 36.081 0.000 29.750) 46.764 1.950 ( -13.165 0.000 0.249) 13.168 2.478 ( 5.288 0.000 0.485) 5.310 2.697 ( -3.001 0.000 -0.550) 3.051 3.335 ( -5.673 0.000 -13.195) 14.363 3.905 ( -12.432 0.000 8.543) 15.084 4.261 ( -8.504 0.000 -8.844) 12.269 4.548 ( 5.259 0.000 -0.513) 5.284 4.747 ( 0.539 0.000 4.387) 4.420 6.015 ( 0.382 0.000 1.117) 1.181 6.036 ( -0.345 0.000 1.293) 1.338 6.956 ( 7.683 0.000 -4.610) 8.960 7.363 ( -3.597 0.000 1.701) 3.978 7.543 ( 3.376 0.000 1.090) 3.548 7.756 ( -4.185 0.000 -0.037) 4.185 8.327 ( 26.953 0.000 -11.148) 29.167 8.511 ( 0.507 0.000 1.806) 1.875 8.524 ( 0.005 0.000 1.869) 1.869 8.946 ( -12.938 0.000 -3.169) 13.321 9.706 ( 1.471 0.000 8.820) 8.942 10.115 ( -9.504 0.000 4.126) 10.361 10.537 ( 0.163 0.000 -8.267) 8.268 10.545 ( 0.063 0.000 -9.318) 9.318 10.560 ( 7.703 0.000 0.130) 7.704 10.770 ( 10.871 0.000 0.018) 10.871 11.287 ( 2.853 0.000 1.601) 3.271 11.391 ( 2.663 0.000 -10.487) 10.820 11.489 ( -5.124 0.000 3.055) 5.965 11.553 ( -3.294 0.000 -6.224) 7.042 11.694 ( 3.136 0.000 1.968) 3.703 11.782 ( -0.871 0.000 3.943) 4.038 11.855 ( -3.194 0.000 6.191) 6.967 12.206 ( -7.016 0.000 3.936) 8.045 13.467 ( 29.950 0.000 -44.396) 53.554 13.981 ( -1.673 0.000 -33.173) 33.215 14.458 ( 1.036 0.000 -0.888) 1.364 14.551 ( 0.573 0.000 -4.118) 4.158 15.539 ( 9.244 0.000 17.427) 19.727 16.312 ( -25.727 0.000 14.844) 29.702 17.589 ( -1.271 0.000 -4.862) 5.025 17.807 ( -5.610 0.000 -7.380) 9.270 18.367 ( 7.473 0.000 6.759) 10.076 18.528 ( 0.385 0.000 7.393) 7.403 20.132 ( 0.025 0.000 6.456) 6.456 20.387 ( -14.212 0.000 16.417) 21.714 ======================= Grid point 77 (27/120) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -16.957 0.000 9.630) 19.500 1.186 ( 16.957 0.000 9.630) 19.500 1.417 ( -26.036 0.000 0.924) 26.052 1.417 ( 26.036 0.000 0.924) 26.052 2.603 ( -5.241 0.000 -0.181) 5.244 2.603 ( 5.241 0.000 -0.181) 5.244 2.715 ( -40.080 0.000 15.016) 42.801 2.715 ( 40.080 0.000 15.016) 42.801 4.006 ( -12.534 0.000 -5.297) 13.607 4.006 ( 12.534 0.000 -5.297) 13.607 4.681 ( -5.579 0.000 -0.675) 5.619 4.681 ( 5.579 0.000 -0.675) 5.619 6.026 ( -0.517 0.000 1.194) 1.301 6.026 ( 0.517 0.000 1.194) 1.301 7.189 ( -10.633 0.000 -2.959) 11.037 7.189 ( 10.633 0.000 -2.959) 11.037 7.644 ( -5.260 0.000 0.621) 5.297 7.644 ( 5.260 0.000 0.621) 5.297 8.521 ( -0.285 0.000 1.783) 1.806 8.521 ( 0.285 0.000 1.783) 1.806 8.704 ( -10.521 0.000 -3.652) 11.137 8.704 ( 10.521 0.000 -3.652) 11.137 9.865 ( -10.969 0.000 5.146) 12.116 9.865 ( 10.969 0.000 5.146) 12.116 10.543 ( -0.254 0.000 -8.894) 8.898 10.543 ( 0.254 0.000 -8.894) 8.898 10.747 ( -7.756 0.000 4.081) 8.764 10.747 ( 7.756 0.000 4.081) 8.764 11.375 ( -4.772 0.000 2.184) 5.248 11.375 ( 4.772 0.000 2.184) 5.248 11.470 ( -3.894 0.000 -7.310) 8.283 11.470 ( 3.894 0.000 -7.310) 8.283 11.751 ( -1.941 0.000 3.178) 3.724 11.751 ( 1.941 0.000 3.178) 3.724 11.995 ( -10.659 0.000 1.948) 10.836 11.995 ( 10.659 0.000 1.948) 10.836 13.868 ( -9.376 0.000 -41.384) 42.433 13.868 ( 9.376 0.000 -41.384) 42.433 14.518 ( -3.113 0.000 -2.245) 3.838 14.518 ( 3.113 0.000 -2.245) 3.838 15.831 ( -16.875 0.000 20.056) 26.211 15.831 ( 16.875 0.000 20.056) 26.211 17.664 ( -6.059 0.000 -8.478) 10.421 17.664 ( 6.059 0.000 -8.478) 10.421 18.489 ( -3.684 0.000 7.546) 8.397 18.489 ( 3.684 0.000 7.546) 8.397 20.189 ( -5.205 0.000 10.759) 11.952 20.189 ( 5.205 0.000 10.759) 11.952 ======================= Grid point 80 (28/120) ======================= q-point: ( 0.00 0.07 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 0.000 14.352 24.756) 28.615 0.893 ( 0.000 18.092 24.190) 30.207 1.559 ( 0.000 41.554 31.026) 51.858 2.005 ( 0.000 30.544 2.917) 30.683 2.170 ( 0.000 1.473 -3.858) 4.130 2.577 ( 0.000 15.562 1.406) 15.625 2.953 ( 0.000 20.901 -0.796) 20.916 3.284 ( 0.000 2.854 -10.650) 11.026 4.188 ( 0.000 0.147 -12.746) 12.747 4.312 ( 0.000 -2.774 -7.297) 7.807 4.472 ( 0.000 -0.442 12.794) 12.801 4.700 ( 0.000 0.292 6.921) 6.927 6.065 ( 0.000 2.239 2.143) 3.099 6.087 ( 0.000 7.478 1.752) 7.681 6.742 ( 0.000 -7.733 -1.686) 7.915 7.170 ( 0.000 -3.505 9.336) 9.973 7.627 ( 0.000 1.548 15.015) 15.095 8.044 ( 0.000 21.502 0.729) 21.514 8.611 ( 0.000 6.667 -1.099) 6.757 8.625 ( 0.000 7.625 2.724) 8.097 8.765 ( 0.000 43.951 -29.495) 52.930 9.199 ( 0.000 2.452 -11.206) 11.471 9.794 ( 0.000 -2.341 3.816) 4.477 10.223 ( 0.000 -0.606 -2.137) 2.221 10.327 ( 0.000 0.939 -9.148) 9.196 10.503 ( 0.000 -0.660 -1.003) 1.201 10.551 ( 0.000 0.735 -5.664) 5.711 10.688 ( 0.000 -12.348 -5.596) 13.557 11.009 ( 0.000 -7.450 5.248) 9.113 11.213 ( 0.000 -10.190 -15.376) 18.446 11.638 ( 0.000 4.673 -4.329) 6.370 11.772 ( 0.000 6.544 5.711) 8.686 11.819 ( 0.000 5.326 1.541) 5.544 11.859 ( 0.000 21.188 -7.923) 22.621 12.287 ( 0.000 3.931 2.451) 4.632 12.767 ( 0.000 4.667 -1.162) 4.810 12.801 ( 0.000 43.655 -51.438) 67.466 14.018 ( 0.000 2.952 -27.656) 27.813 14.467 ( 0.000 -0.488 0.237) 0.542 14.600 ( 0.000 6.593 -5.406) 8.526 15.440 ( 0.000 1.271 14.270) 14.326 16.723 ( 0.000 0.377 -16.226) 16.230 17.716 ( 0.000 -4.749 0.199) 4.753 17.797 ( 0.000 -4.756 -8.707) 9.922 18.135 ( 0.000 -5.567 16.145) 17.078 18.463 ( 0.000 -4.100 7.490) 8.538 19.727 ( 0.000 -60.864 52.359) 80.286 20.035 ( 0.000 -10.725 4.769) 11.737 ======================= Grid point 81 (29/120) ======================= q-point: ( 0.25 0.07 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 18.267 13.451 11.398) 25.387 1.207 ( 15.306 25.611 14.330) 33.100 1.856 ( -11.039 28.869 4.424) 31.222 1.919 ( 5.449 12.353 10.182) 16.910 2.022 ( 9.672 15.290 14.317) 23.072 2.657 ( 5.721 16.905 0.953) 17.873 2.919 ( -2.859 20.772 -0.679) 20.979 3.361 ( -2.845 3.079 -13.286) 13.931 3.904 ( -12.370 1.414 8.491) 15.070 4.237 ( -8.213 -2.124 -8.191) 11.792 4.525 ( 4.885 -1.433 -1.198) 5.230 4.734 ( -0.194 -1.243 3.810) 4.012 6.065 ( 0.005 2.737 2.100) 3.450 6.076 ( -0.612 5.700 1.881) 6.033 6.860 ( 9.185 -5.966 -1.253) 11.024 7.175 ( -1.472 -5.849 7.428) 9.568 7.747 ( 8.648 4.440 5.643) 11.240 8.054 ( -0.297 25.097 0.695) 25.108 8.510 ( -8.057 5.266 -2.040) 9.839 8.536 ( -4.480 7.996 -0.864) 9.207 8.875 ( 7.229 28.109 -18.507) 34.422 9.125 ( -4.854 13.092 -7.437) 15.820 9.724 ( -0.085 2.155 6.833) 7.165 10.106 ( -9.742 -0.760 1.680) 9.915 10.416 ( 4.427 -7.477 -5.782) 10.437 10.491 ( -0.484 -9.592 -0.070) 9.605 10.560 ( 1.832 0.426 -5.829) 6.125 10.769 ( -2.080 -0.983 1.712) 2.867 10.974 ( 5.013 -15.253 -0.863) 16.079 11.238 ( 1.106 -8.366 -13.535) 15.950 11.598 ( -2.885 2.842 -1.901) 4.473 11.739 ( -4.967 1.990 6.402) 8.343 11.818 ( 1.320 9.736 -0.150) 9.826 11.905 ( 1.013 19.365 -1.440) 19.445 12.066 ( -7.872 14.088 2.995) 16.414 12.308 ( -7.238 10.193 0.439) 12.509 13.566 ( 23.818 8.205 -47.408) 53.685 14.008 ( -1.803 2.647 -31.877) 32.037 14.475 ( 1.752 1.107 -0.200) 2.082 14.600 ( -0.833 4.302 -3.553) 5.641 15.546 ( 9.140 1.030 15.002) 17.597 16.321 ( -25.687 0.887 12.758) 28.694 17.555 ( -0.777 -3.391 -5.348) 6.380 17.773 ( -5.353 -3.403 -7.394) 9.742 18.319 ( 7.713 -4.757 6.581) 11.199 18.480 ( 0.045 -4.831 7.725) 9.111 19.845 ( 6.854 -36.279 25.326) 44.772 20.038 ( -0.810 -15.259 8.889) 17.678 ======================= Grid point 82 (30/120) ======================= q-point: (-0.50 0.07 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -23.560 8.808 0.069) 25.152 1.485 ( 23.560 8.808 0.069) 25.152 1.554 ( -15.669 27.514 8.448) 32.770 1.554 ( 15.669 27.514 8.448) 32.770 2.703 ( -15.964 11.361 7.665) 21.040 2.703 ( 15.964 11.361 7.665) 21.040 2.910 ( -15.567 18.472 4.501) 24.573 2.910 ( 15.567 18.472 4.501) 24.573 3.991 ( -12.101 -1.082 -4.188) 12.851 3.991 ( 12.101 -1.082 -4.188) 12.851 4.657 ( -5.795 -2.070 -1.305) 6.291 4.657 ( 5.795 -2.070 -1.305) 6.291 6.067 ( -0.222 3.789 2.039) 4.309 6.067 ( 0.222 3.789 2.039) 4.309 7.069 ( -7.873 -6.121 2.441) 10.267 7.069 ( 7.873 -6.121 2.441) 10.267 7.949 ( -8.574 19.493 -2.596) 21.453 7.949 ( 8.574 19.493 -2.596) 21.453 8.444 ( -2.554 1.881 1.808) 3.651 8.444 ( 2.554 1.881 1.808) 3.651 9.017 ( -5.147 20.973 -7.939) 23.008 9.017 ( 5.147 20.973 -7.939) 23.008 9.856 ( -10.538 -0.556 5.059) 11.703 9.856 ( 10.538 -0.556 5.059) 11.703 10.477 ( -1.215 -10.575 -3.153) 11.102 10.477 ( 1.215 -10.575 -3.153) 11.102 10.643 ( -5.492 -3.521 0.798) 6.572 10.643 ( 5.492 -3.521 0.798) 6.572 11.171 ( -7.881 -7.443 -8.645) 13.866 11.171 ( 7.881 -7.443 -8.645) 13.866 11.602 ( -4.477 0.983 3.140) 5.556 11.602 ( 4.477 0.983 3.140) 5.556 11.861 ( -2.218 10.778 3.207) 11.461 11.861 ( 2.218 10.778 3.207) 11.461 12.142 ( -7.629 12.243 0.166) 14.427 12.142 ( 7.629 12.243 0.166) 14.427 13.899 ( -8.528 2.653 -39.200) 40.205 13.899 ( 8.528 2.653 -39.200) 40.205 14.546 ( -3.642 2.447 -2.011) 4.826 14.546 ( 3.642 2.447 -2.011) 4.826 15.837 ( -16.947 0.736 18.074) 24.787 15.837 ( 16.947 0.736 18.074) 24.787 17.634 ( -6.010 -3.028 -8.720) 11.014 17.634 ( 6.010 -3.028 -8.720) 11.014 18.440 ( -3.513 -4.834 7.526) 9.610 18.440 ( 3.513 -4.834 7.526) 9.610 19.975 ( -4.609 -19.495 11.888) 23.295 19.975 ( 4.609 -19.495 11.888) 23.295 ======================= Grid point 85 (31/120) ======================= q-point: ( 0.00 0.13 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 0.000 20.958 13.816) 25.103 1.268 ( 0.000 20.528 14.403) 25.077 2.174 ( 0.000 6.424 2.622) 6.939 2.547 ( 0.000 46.859 11.961) 48.362 2.658 ( 0.000 31.003 2.465) 31.101 2.944 ( 0.000 19.678 2.424) 19.827 3.346 ( 0.000 7.246 -11.412) 13.518 3.506 ( 0.000 29.118 -0.602) 29.125 4.235 ( 0.000 4.607 -14.112) 14.845 4.240 ( 0.000 -4.208 -3.918) 5.749 4.503 ( 0.000 4.954 7.199) 8.739 4.701 ( 0.000 -0.379 5.145) 5.159 6.128 ( 0.000 4.355 4.601) 6.335 6.293 ( 0.000 12.938 3.261) 13.342 6.623 ( 0.000 -4.147 4.255) 5.942 7.117 ( 0.000 -1.359 5.886) 6.040 7.763 ( 0.000 12.356 7.360) 14.382 8.530 ( 0.000 24.536 1.638) 24.591 8.627 ( 0.000 -4.375 -0.389) 4.392 8.687 ( 0.000 -3.138 3.688) 4.843 9.279 ( 0.000 5.882 -11.179) 12.632 9.427 ( 0.000 26.992 -15.005) 30.883 9.858 ( 0.000 9.521 1.147) 9.590 10.185 ( 0.000 -3.946 -5.877) 7.079 10.223 ( 0.000 -24.287 -2.618) 24.428 10.346 ( 0.000 1.859 -1.377) 2.314 10.472 ( 0.000 -2.897 -3.613) 4.631 10.563 ( 0.000 1.475 -0.817) 1.686 10.947 ( 0.000 -2.169 12.443) 12.630 11.019 ( 0.000 -9.435 -17.032) 19.471 11.669 ( 0.000 -0.384 -4.360) 4.377 11.774 ( 0.000 -2.844 11.102) 11.461 12.037 ( 0.000 13.086 1.165) 13.138 12.216 ( 0.000 13.318 1.114) 13.365 12.390 ( 0.000 5.645 -2.618) 6.223 12.931 ( 0.000 12.297 -0.529) 12.309 13.391 ( 0.000 15.645 -60.452) 62.443 14.108 ( 0.000 5.910 -27.905) 28.524 14.449 ( 0.000 -1.421 1.388) 1.986 14.683 ( 0.000 0.420 2.513) 2.548 15.496 ( 0.000 4.213 6.517) 7.760 16.733 ( 0.000 0.519 -16.073) 16.081 17.565 ( 0.000 -10.460 6.200) 12.159 17.652 ( 0.000 -9.913 -8.447) 13.024 17.987 ( 0.000 -8.973 16.946) 19.175 18.340 ( 0.000 -8.116 8.001) 11.397 18.900 ( 0.000 -24.830 39.660) 46.792 19.751 ( 0.000 -17.097 3.897) 17.535 ======================= Grid point 86 (32/120) ======================= q-point: ( 0.25 0.13 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 13.102 21.262 5.100) 25.490 1.580 ( 19.242 14.174 13.415) 27.407 2.064 ( -10.310 8.208 -0.162) 13.179 2.436 ( -15.013 24.661 4.395) 29.204 2.706 ( 14.419 43.158 13.306) 47.408 3.085 ( 7.951 24.659 1.287) 25.941 3.383 ( -0.610 16.871 -8.245) 18.788 3.519 ( 1.028 19.931 -6.067) 20.859 3.999 ( -12.613 8.362 5.766) 16.194 4.197 ( -7.152 -0.977 -6.652) 9.816 4.512 ( 2.706 0.652 -2.363) 3.651 4.705 ( -1.673 -1.377 2.271) 3.139 6.135 ( 0.652 4.537 4.758) 6.607 6.224 ( -3.752 8.612 3.873) 10.160 6.785 ( 10.950 -0.772 3.968) 11.672 7.118 ( -1.352 -0.623 5.853) 6.039 7.877 ( 10.230 10.142 3.227) 14.762 8.511 ( -6.316 -0.541 -0.104) 6.340 8.565 ( -2.725 22.745 0.759) 22.921 8.665 ( -1.885 -0.421 3.117) 3.667 9.247 ( 2.052 4.287 -14.385) 15.150 9.438 ( -0.711 21.848 -12.544) 25.203 9.837 ( -0.962 9.660 2.818) 10.109 10.083 ( -8.554 -1.632 -2.298) 9.006 10.195 ( 0.229 -15.286 -0.646) 15.302 10.319 ( -2.381 -1.986 -0.810) 3.204 10.562 ( 3.240 -0.107 -4.566) 5.600 10.716 ( 8.046 -2.669 -0.773) 8.513 10.863 ( -0.141 0.263 5.930) 5.938 11.086 ( 3.605 -7.151 -13.650) 15.826 11.607 ( -4.597 -1.397 -2.764) 5.543 11.708 ( -6.261 -3.787 10.596) 12.877 12.048 ( 1.588 13.061 -0.234) 13.160 12.266 ( 3.868 13.021 2.514) 13.814 12.302 ( -8.283 10.649 -3.500) 13.938 12.568 ( -14.407 16.208 -3.310) 21.937 13.705 ( 14.439 4.605 -41.522) 44.202 14.076 ( -3.392 3.738 -28.969) 29.406 14.490 ( 3.695 0.381 0.148) 3.718 14.660 ( -2.114 0.514 1.872) 2.870 15.589 ( 8.217 3.282 8.533) 12.292 16.346 ( -24.981 1.449 7.504) 26.124 17.457 ( 0.755 -6.417 -6.955) 9.493 17.670 ( -4.266 -7.175 -7.202) 11.025 18.180 ( 8.679 -9.308 7.946) 15.003 18.344 ( -0.346 -8.437 8.045) 11.663 19.169 ( 18.666 -27.629 26.817) 42.789 19.704 ( -4.509 -18.890 5.850) 20.283 ======================= Grid point 87 (33/120) ======================= q-point: (-0.50 0.13 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -16.703 13.133 0.507) 21.254 1.701 ( 16.703 13.133 0.507) 21.254 2.053 ( -17.958 19.347 7.384) 27.410 2.053 ( 17.958 19.347 7.384) 27.410 3.103 ( -14.100 27.820 4.444) 31.504 3.103 ( 14.100 27.820 4.444) 31.504 3.372 ( -6.535 26.221 -0.526) 27.028 3.372 ( 6.535 26.221 -0.526) 27.028 3.990 ( -9.249 2.008 -1.246) 9.547 3.990 ( 9.249 2.008 -1.246) 9.547 4.615 ( -5.430 -1.738 -2.433) 6.199 4.615 ( 5.430 -1.738 -2.433) 6.199 6.162 ( -1.852 5.697 4.550) 7.522 6.162 ( 1.852 5.697 4.550) 7.522 7.012 ( -8.087 0.271 4.807) 9.411 7.012 ( 8.087 0.271 4.807) 9.411 8.193 ( -16.535 7.509 -2.023) 18.272 8.193 ( 16.535 7.509 -2.023) 18.272 8.605 ( -3.107 8.016 2.521) 8.959 8.605 ( 3.107 8.016 2.521) 8.959 9.369 ( -5.721 12.765 -14.210) 19.940 9.369 ( 5.721 12.765 -14.210) 19.940 9.883 ( -6.467 4.253 4.664) 9.037 9.883 ( 6.467 4.253 4.664) 9.037 10.245 ( -3.572 -8.054 -0.265) 8.814 10.245 ( 3.572 -8.054 -0.265) 8.814 10.650 ( -4.932 2.176 -0.451) 5.410 10.650 ( 4.932 2.176 -0.451) 5.410 11.078 ( -7.308 -2.912 -8.883) 11.866 11.078 ( 7.308 -2.912 -8.883) 11.866 11.560 ( -3.228 -4.211 5.260) 7.471 11.560 ( 3.228 -4.211 5.260) 7.471 12.125 ( -5.505 14.437 -1.070) 15.488 12.125 ( 5.505 14.437 -1.070) 15.488 12.376 ( -5.802 11.366 1.788) 12.886 12.376 ( 5.802 11.366 1.788) 12.886 13.948 ( -7.969 1.793 -32.434) 33.447 13.948 ( 7.969 1.793 -32.434) 33.447 14.588 ( -4.228 1.068 0.055) 4.361 14.588 ( 4.228 1.068 0.055) 4.361 15.866 ( -16.760 2.275 12.293) 20.909 15.866 ( 16.760 2.275 12.293) 20.909 17.545 ( -5.738 -5.952 -9.166) 12.343 17.545 ( 5.738 -5.952 -9.166) 12.343 18.306 ( -3.263 -8.487 7.680) 11.902 18.306 ( 3.263 -8.487 7.680) 11.902 19.527 ( -11.840 -23.546 11.941) 28.934 19.527 ( 11.840 -23.546 11.941) 28.934 ======================= Grid point 90 (34/120) ======================= q-point: ( 0.00 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 0.000 21.212 7.368) 22.455 1.685 ( 0.000 20.827 1.360) 20.871 2.309 ( 0.000 8.545 4.791) 9.796 3.112 ( 0.000 14.207 0.994) 14.242 3.238 ( 0.000 13.653 0.036) 13.653 3.473 ( 0.000 5.398 -11.653) 12.842 3.505 ( 0.000 42.694 8.987) 43.630 4.055 ( 0.000 11.420 -1.622) 11.535 4.220 ( 0.000 14.875 3.023) 15.179 4.364 ( 0.000 7.201 -11.641) 13.688 4.695 ( 0.000 1.222 2.983) 3.224 4.724 ( 0.000 17.970 -0.226) 17.972 6.245 ( 0.000 7.459 7.574) 10.630 6.587 ( 0.000 16.560 4.977) 17.292 6.614 ( 0.000 4.225 6.356) 7.632 7.120 ( 0.000 1.534 2.919) 3.298 8.085 ( 0.000 19.043 2.819) 19.250 8.475 ( 0.000 -9.874 -0.290) 9.878 8.547 ( 0.000 -8.217 3.063) 8.770 8.940 ( 0.000 15.818 1.430) 15.883 9.427 ( 0.000 8.820 -10.583) 13.776 9.771 ( 0.000 -4.825 -6.579) 8.158 9.822 ( 0.000 -5.175 -8.379) 9.848 10.057 ( 0.000 5.980 -5.577) 8.177 10.124 ( 0.000 -1.062 -6.493) 6.580 10.412 ( 0.000 -1.513 -5.867) 6.059 10.430 ( 0.000 6.584 6.374) 9.164 10.653 ( 0.000 8.464 5.339) 10.007 10.825 ( 0.000 -10.533 -13.595) 17.198 10.946 ( 0.000 3.070 11.246) 11.658 11.636 ( 0.000 -2.797 -6.058) 6.673 11.687 ( 0.000 -5.415 12.557) 13.675 12.287 ( 0.000 9.788 -4.888) 10.941 12.409 ( 0.000 7.066 5.396) 8.891 12.512 ( 0.000 8.414 0.357) 8.421 13.243 ( 0.000 18.366 -0.229) 18.367 13.536 ( 0.000 1.575 -39.846) 39.877 14.217 ( 0.000 3.726 -24.767) 25.045 14.408 ( 0.000 -2.759 2.672) 3.841 14.639 ( 0.000 -3.147 8.709) 9.260 15.585 ( 0.000 4.437 1.503) 4.685 16.737 ( 0.000 -0.400 -14.948) 14.953 17.324 ( 0.000 -13.194 8.388) 15.635 17.412 ( 0.000 -13.905 -7.597) 15.845 17.799 ( 0.000 -9.582 17.163) 19.657 18.177 ( 0.000 -7.499 4.570) 8.781 18.587 ( 0.000 -10.167 20.591) 22.964 19.395 ( 0.000 -18.065 2.353) 18.217 ======================= Grid point 91 (35/120) ======================= q-point: ( 0.25 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 8.883 21.766 -0.358) 23.512 1.839 ( 12.316 12.817 7.472) 19.281 2.269 ( -3.221 11.931 2.196) 12.551 2.781 ( -18.826 11.569 2.778) 22.271 3.429 ( 7.169 18.628 -1.175) 19.995 3.529 ( 6.229 11.603 -3.099) 13.529 3.663 ( 10.336 30.419 -0.182) 32.128 4.017 ( -2.717 14.509 -2.273) 14.935 4.139 ( -5.490 10.447 4.142) 12.507 4.348 ( -5.455 17.780 -4.541) 19.144 4.575 ( -2.612 5.255 -1.288) 6.008 4.736 ( -2.565 8.656 -0.841) 9.067 6.254 ( 1.056 7.722 7.498) 10.815 6.412 ( -6.401 10.924 6.460) 14.214 6.854 ( 11.409 7.890 5.215) 14.819 7.135 ( 0.115 2.198 3.348) 4.007 8.146 ( 5.885 16.153 0.905) 17.215 8.442 ( -2.642 -5.971 -0.051) 6.530 8.560 ( 1.266 -7.390 2.677) 7.961 8.907 ( -9.799 10.289 -0.861) 14.235 9.293 ( 2.721 3.325 -7.306) 8.475 9.740 ( -5.198 6.189 -11.761) 14.270 9.922 ( 3.542 -4.269 -4.367) 7.060 10.051 ( -2.971 1.693 -4.496) 5.648 10.100 ( 2.002 3.554 -6.113) 7.349 10.338 ( -5.494 2.998 0.072) 6.259 10.574 ( 8.844 0.562 -2.620) 9.241 10.713 ( 4.181 4.341 4.587) 7.574 10.887 ( 5.494 -1.134 0.855) 5.675 10.983 ( 4.242 0.788 -1.775) 4.665 11.542 ( -6.971 -5.265 -2.043) 8.972 11.618 ( -6.740 -4.498 9.688) 12.630 12.282 ( 0.534 8.467 -4.487) 9.597 12.403 ( -1.893 3.675 -2.357) 4.759 12.539 ( 3.205 13.722 5.439) 15.105 12.942 ( -16.224 19.897 -4.810) 26.120 13.750 ( 10.783 0.669 -27.687) 29.720 14.129 ( -6.377 0.963 -21.513) 22.459 14.485 ( 4.871 -1.237 0.197) 5.030 14.626 ( -1.241 -2.789 7.240) 7.857 15.665 ( 7.284 4.084 2.965) 8.862 16.370 ( -22.960 0.738 2.329) 23.089 17.308 ( 2.474 -8.520 -9.026) 12.656 17.484 ( -1.567 -11.742 -5.936) 13.250 17.961 ( 9.988 -11.923 12.888) 20.199 18.177 ( -0.721 -7.737 4.859) 9.165 18.759 ( 14.187 -15.085 17.613) 27.185 19.324 ( -6.505 -18.734 4.057) 20.242 ======================= Grid point 92 (36/120) ======================= q-point: (-0.50 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -6.198 13.358 1.210) 14.775 1.970 ( 6.198 13.358 1.210) 14.775 2.361 ( -16.066 13.645 3.339) 21.341 2.361 ( 16.066 13.645 3.339) 21.341 3.571 ( -4.004 13.024 -2.937) 13.938 3.571 ( 4.004 13.024 -2.937) 13.938 3.898 ( -9.223 24.809 -0.599) 26.475 3.898 ( 9.223 24.809 -0.599) 26.475 4.138 ( -8.164 14.690 3.196) 17.107 4.138 ( 8.164 14.690 3.196) 17.107 4.635 ( -5.279 6.415 -3.482) 9.008 4.635 ( 5.279 6.415 -3.482) 9.008 6.304 ( -3.447 9.125 7.195) 12.121 6.304 ( 3.447 9.125 7.195) 12.121 7.067 ( -6.674 4.991 4.485) 9.464 7.067 ( 6.674 4.991 4.485) 9.464 8.330 ( -8.269 5.650 -0.844) 10.050 8.330 ( 8.269 5.650 -0.844) 10.050 8.642 ( -7.936 -1.480 0.079) 8.073 8.642 ( 7.936 -1.480 0.079) 8.073 9.529 ( -12.753 4.182 -8.322) 15.792 9.529 ( 12.753 4.182 -8.322) 15.792 9.973 ( -2.611 3.509 -4.394) 6.201 9.973 ( 2.611 3.509 -4.394) 6.201 10.202 ( -5.875 1.607 -3.245) 6.901 10.202 ( 5.875 1.607 -3.245) 6.901 10.715 ( -3.798 3.970 2.339) 5.971 10.715 ( 3.798 3.970 2.339) 5.971 11.053 ( -3.208 1.271 -4.132) 5.383 11.053 ( 3.208 1.271 -4.132) 5.383 11.451 ( -3.407 -6.456 6.027) 9.467 11.451 ( 3.407 -6.456 6.027) 9.467 12.331 ( -3.534 5.470 -5.055) 8.244 12.331 ( 3.534 5.470 -5.055) 8.244 12.665 ( -8.372 18.093 3.120) 20.179 12.665 ( 8.372 18.093 3.120) 20.179 13.961 ( -8.396 -0.368 -23.096) 24.577 13.961 ( 8.396 -0.368 -23.096) 24.577 14.578 ( -3.168 -1.838 3.394) 4.994 14.578 ( 3.168 -1.838 3.394) 4.994 15.922 ( -15.876 3.123 5.492) 17.087 15.922 ( 15.876 3.123 5.492) 17.087 17.398 ( -4.756 -9.024 -8.735) 13.429 17.398 ( 4.756 -9.024 -8.735) 13.429 18.122 ( -4.471 -9.523 7.669) 13.019 18.122 ( 4.471 -9.523 7.669) 13.019 19.098 ( -13.572 -19.222 9.339) 25.316 19.098 ( 13.572 -19.222 9.339) 25.316 ======================= Grid point 95 (37/120) ======================= q-point: ( 0.00 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 0.000 19.044 4.044) 19.469 2.069 ( 0.000 17.793 -6.842) 19.063 2.507 ( 0.000 10.803 6.126) 12.419 3.276 ( 0.000 3.959 0.128) 3.961 3.391 ( 0.000 3.152 -1.291) 3.406 3.518 ( 0.000 -0.959 -13.661) 13.695 4.007 ( 0.000 -5.617 3.264) 6.497 4.254 ( 0.000 25.549 2.478) 25.668 4.426 ( 0.000 4.134 -4.309) 5.971 4.738 ( 0.000 26.063 2.122) 26.150 4.862 ( 0.000 16.152 1.529) 16.224 5.162 ( 0.000 23.885 -3.429) 24.130 6.425 ( 0.000 11.181 6.283) 12.826 6.811 ( 0.000 15.199 6.804) 16.652 6.938 ( 0.000 18.565 6.510) 19.673 7.169 ( 0.000 3.377 0.344) 3.395 8.263 ( 0.000 -9.134 -0.077) 9.134 8.433 ( 0.000 -2.323 1.462) 2.745 8.488 ( 0.000 19.027 1.850) 19.117 9.148 ( 0.000 5.238 -1.578) 5.471 9.529 ( 0.000 -9.820 -4.017) 10.610 9.619 ( 0.000 10.184 -9.020) 13.604 9.760 ( 0.000 -6.811 -2.801) 7.365 10.038 ( 0.000 -5.441 -9.642) 11.071 10.156 ( 0.000 2.544 -9.868) 10.191 10.436 ( 0.000 2.579 -6.550) 7.039 10.546 ( 0.000 3.840 6.676) 7.702 10.592 ( 0.000 -11.683 -6.438) 13.339 10.878 ( 0.000 11.201 5.927) 12.673 11.084 ( 0.000 9.693 5.999) 11.399 11.567 ( 0.000 -3.902 -8.193) 9.075 11.584 ( 0.000 -4.230 10.391) 11.219 12.378 ( 0.000 1.248 -9.958) 10.036 12.526 ( 0.000 5.415 6.355) 8.349 12.746 ( 0.000 12.973 5.702) 14.171 13.509 ( 0.000 -3.739 -21.887) 22.204 13.622 ( 0.000 19.126 -0.132) 19.126 14.211 ( 0.000 -4.068 -12.444) 13.093 14.338 ( 0.000 -4.256 3.730) 5.659 14.614 ( 0.000 0.702 4.671) 4.723 15.670 ( 0.000 4.190 -1.099) 4.331 16.698 ( 0.000 -4.088 -10.591) 11.353 17.063 ( 0.000 -12.982 5.917) 14.267 17.126 ( 0.000 -14.475 -7.794) 16.440 17.629 ( 0.000 -6.890 15.926) 17.353 18.056 ( 0.000 -4.730 -0.174) 4.733 18.424 ( 0.000 -7.068 13.300) 15.061 19.057 ( 0.000 -15.830 0.381) 15.835 ======================= Grid point 96 (38/120) ======================= q-point: ( 0.25 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 5.007 13.479 0.932) 14.410 2.172 ( 6.388 18.578 -2.029) 19.750 2.508 ( 0.471 11.747 1.884) 11.906 2.952 ( -16.651 6.709 0.457) 17.958 3.549 ( 3.845 -0.486 -11.451) 12.089 3.648 ( 8.568 2.022 -0.658) 8.828 3.980 ( -0.220 -5.225 2.402) 5.755 4.264 ( -3.101 5.188 -0.477) 6.063 4.419 ( 3.391 24.128 1.442) 24.408 4.775 ( -6.379 20.682 0.808) 21.659 4.804 ( 4.483 21.933 -0.596) 22.394 5.098 ( -5.387 23.437 -3.089) 24.246 6.448 ( 2.285 12.119 6.696) 14.033 6.679 ( -7.191 16.058 7.682) 19.199 7.080 ( 7.630 14.221 5.181) 16.950 7.204 ( 2.036 4.806 1.246) 5.367 8.284 ( 1.889 -7.598 0.551) 7.849 8.404 ( -2.349 0.434 2.939) 3.787 8.533 ( 4.325 12.881 -0.892) 13.617 9.014 ( -14.298 2.315 -4.703) 15.229 9.378 ( 4.139 3.654 -3.101) 6.332 9.709 ( -4.320 -5.596 -4.184) 8.215 9.920 ( 10.367 3.806 -8.721) 14.072 10.059 ( 1.335 -2.729 -8.405) 8.937 10.140 ( -0.480 1.945 -8.416) 8.651 10.359 ( -7.794 -2.821 -2.635) 8.698 10.564 ( 8.538 -0.280 -2.928) 9.030 10.756 ( 6.025 -3.983 -1.838) 7.453 10.926 ( 5.318 8.685 5.554) 11.600 11.134 ( 4.879 9.939 6.128) 12.654 11.426 ( -9.782 -4.898 -0.377) 10.946 11.544 ( -5.873 -2.751 4.465) 7.873 12.370 ( -0.267 1.633 -7.820) 7.993 12.466 ( -3.914 3.467 1.130) 5.349 12.830 ( 6.341 14.082 6.075) 16.595 13.279 ( -12.960 11.870 -6.219) 18.642 13.776 ( 7.583 3.739 -12.160) 14.811 14.104 ( -6.819 -3.149 -11.284) 13.556 14.429 ( 5.114 -4.195 2.778) 7.174 14.592 ( -1.934 -0.540 4.816) 5.218 15.745 ( 6.832 3.981 -0.299) 7.913 16.365 ( -19.562 -1.343 -0.100) 19.608 17.119 ( 2.629 -10.801 -8.900) 14.240 17.212 ( 1.839 -15.239 -2.765) 15.597 17.757 ( 9.777 -7.751 12.866) 17.922 18.052 ( -1.520 -4.738 0.671) 5.021 18.520 ( 8.734 -10.068 11.608) 17.675 18.981 ( -6.705 -15.712 1.785) 17.176 ======================= Grid point 97 (39/120) ======================= q-point: (-0.50 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( -3.787 12.089 0.623) 12.684 2.220 ( 3.787 12.089 0.623) 12.684 2.621 ( -11.294 12.585 -1.356) 16.964 2.621 ( 11.294 12.585 -1.356) 16.964 3.660 ( -4.975 -0.813 -4.717) 6.904 3.660 ( 4.975 -0.813 -4.717) 6.904 4.102 ( -9.049 -1.819 1.624) 9.372 4.102 ( 9.049 -1.819 1.624) 9.372 4.584 ( -9.164 25.594 0.864) 27.199 4.584 ( 9.164 25.594 0.864) 27.199 4.947 ( -7.254 22.594 -2.493) 23.861 4.947 ( 7.254 22.594 -2.493) 23.861 6.535 ( -5.390 14.173 7.536) 16.933 6.535 ( 5.390 14.173 7.536) 16.933 7.205 ( -2.774 8.935 3.347) 9.936 7.205 ( 2.774 8.935 3.347) 9.936 8.341 ( -2.946 -3.493 2.228) 5.084 8.341 ( 2.946 -3.493 2.228) 5.084 8.704 ( -11.232 7.657 -3.866) 14.133 8.704 ( 11.232 7.657 -3.866) 14.133 9.556 ( -8.813 -0.724 -4.385) 9.870 9.556 ( 8.813 -0.724 -4.385) 9.870 10.051 ( -2.441 4.880 -9.057) 10.574 10.051 ( 2.441 4.880 -9.057) 10.574 10.197 ( -5.749 -2.884 -4.390) 7.787 10.197 ( 5.749 -2.884 -4.390) 7.787 10.753 ( -5.644 -0.629 -2.329) 6.138 10.753 ( 5.644 -0.629 -2.329) 6.138 11.140 ( -11.452 4.324 2.155) 12.430 11.140 ( 11.452 4.324 2.155) 12.430 11.344 ( -9.777 -1.541 5.946) 11.546 11.344 ( 9.777 -1.541 5.946) 11.546 12.391 ( -2.350 1.802 -4.379) 5.286 12.391 ( 2.350 1.802 -4.379) 5.286 13.013 ( -10.132 15.199 2.315) 18.413 13.013 ( 10.132 15.199 2.315) 18.413 13.942 ( -7.387 -1.082 -13.053) 15.038 13.942 ( 7.387 -1.082 -13.053) 15.038 14.529 ( -3.674 -2.846 4.442) 6.429 14.529 ( 3.674 -2.846 4.442) 6.429 15.979 ( -14.073 2.485 1.197) 14.341 15.979 ( 14.073 2.485 1.197) 14.341 17.185 ( -2.861 -12.486 -6.001) 14.145 17.185 ( 2.861 -12.486 -6.001) 14.145 17.957 ( -6.917 -6.420 5.750) 11.051 17.957 ( 6.917 -6.420 5.750) 11.051 18.769 ( -11.618 -14.315 5.980) 19.382 18.769 ( 11.618 -14.315 5.980) 19.382 ======================= Grid point 100 (40/120) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 0.000 15.409 -8.618) 17.656 2.400 ( 0.000 16.274 2.132) 16.413 2.708 ( 0.000 8.965 3.241) 9.533 3.305 ( 0.000 -0.520 2.185) 2.246 3.398 ( 0.000 -1.645 -1.614) 2.305 3.458 ( 0.000 -4.369 -15.017) 15.640 3.881 ( 0.000 -7.147 1.391) 7.281 4.208 ( 0.000 -10.666 -3.088) 11.104 4.885 ( 0.000 24.091 -0.289) 24.093 5.180 ( 0.000 18.332 2.643) 18.522 5.246 ( 0.000 20.682 3.578) 20.989 5.596 ( 0.000 18.967 -2.645) 19.151 6.704 ( 0.000 16.924 1.116) 16.961 7.171 ( 0.000 19.919 6.277) 20.885 7.240 ( 0.000 6.308 -0.167) 6.310 7.315 ( 0.000 16.345 4.904) 17.065 8.118 ( 0.000 -4.618 1.364) 4.815 8.463 ( 0.000 4.829 -0.341) 4.841 8.814 ( 0.000 12.132 3.936) 12.754 9.150 ( 0.000 -4.966 -7.458) 8.960 9.400 ( 0.000 -2.893 -5.079) 5.845 9.630 ( 0.000 -5.234 0.294) 5.243 9.809 ( 0.000 8.538 -6.306) 10.614 9.919 ( 0.000 -5.732 -6.513) 8.677 10.204 ( 0.000 2.267 -10.449) 10.692 10.291 ( 0.000 -14.276 -0.359) 14.281 10.584 ( 0.000 8.511 -7.554) 11.380 10.594 ( 0.000 1.818 6.334) 6.590 11.009 ( 0.000 1.101 4.868) 4.991 11.254 ( 0.000 6.145 -1.923) 6.439 11.491 ( 0.000 -3.605 -10.812) 11.397 11.549 ( 0.000 0.529 0.983) 1.116 12.399 ( 0.000 1.908 -6.071) 6.364 12.644 ( 0.000 6.798 7.868) 10.398 12.968 ( 0.000 9.092 7.790) 11.973 13.398 ( 0.000 -7.293 -5.546) 9.162 13.973 ( 0.000 15.605 -0.427) 15.611 14.105 ( 0.000 -5.670 -6.128) 8.349 14.243 ( 0.000 -4.993 4.666) 6.834 14.635 ( 0.000 0.757 2.109) 2.240 15.757 ( 0.000 4.787 -2.878) 5.586 16.568 ( 0.000 -8.538 -3.488) 9.223 16.815 ( 0.000 -11.988 3.861) 12.594 16.850 ( 0.000 -13.499 -7.263) 15.329 17.551 ( 0.000 -0.755 11.100) 11.126 17.984 ( 0.000 -2.833 -2.578) 3.830 18.298 ( 0.000 -5.497 9.297) 10.801 18.772 ( 0.000 -12.965 -1.478) 13.049 ======================= Grid point 101 (41/120) ======================= q-point: ( 0.25 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 1.600 13.823 -1.310) 13.977 2.501 ( 2.829 14.690 -3.727) 15.417 2.721 ( 2.149 9.650 -0.081) 9.887 3.069 ( -10.820 5.398 -0.576) 12.105 3.481 ( 2.688 -5.733 -11.048) 12.734 3.633 ( 8.234 -3.059 -1.323) 8.883 3.832 ( -1.423 -9.011 0.959) 9.173 4.151 ( -5.171 -9.938 -0.971) 11.245 4.936 ( 4.190 23.251 -0.256) 23.627 5.174 ( -3.906 19.877 1.748) 20.333 5.246 ( 3.834 19.775 2.058) 20.248 5.534 ( -5.306 19.134 -2.257) 19.984 6.738 ( 3.139 16.901 2.117) 17.320 7.019 ( -8.260 17.126 4.993) 19.659 7.333 ( 4.622 8.448 0.369) 9.637 7.387 ( 3.799 15.901 4.618) 16.989 8.163 ( 4.079 -3.558 2.371) 5.909 8.420 ( -4.031 3.285 2.098) 5.607 8.802 ( -0.171 10.460 0.172) 10.463 9.023 ( -9.165 -1.688 -7.670) 12.069 9.413 ( 3.761 0.537 -3.563) 5.209 9.608 ( -1.980 -3.932 -1.309) 4.593 9.958 ( 3.465 -5.800 -5.339) 8.611 10.026 ( 12.305 5.318 -8.722) 15.993 10.182 ( -2.702 -3.252 -2.226) 4.778 10.239 ( -2.847 -2.937 -7.462) 8.510 10.582 ( 2.800 1.730 -0.296) 3.304 10.726 ( 6.930 2.175 -3.139) 7.913 10.996 ( -0.360 -2.565 5.829) 6.379 11.263 ( -1.145 2.433 -3.898) 4.736 11.409 ( -3.825 2.174 -4.857) 6.553 11.529 ( -2.893 1.276 -0.024) 3.162 12.399 ( 0.388 2.465 -4.512) 5.156 12.557 ( -5.948 6.097 5.367) 10.068 13.053 ( 6.271 7.894 6.350) 11.915 13.354 ( -4.279 -3.074 -1.786) 5.564 13.929 ( -1.706 8.766 -4.049) 9.806 14.043 ( -4.248 -0.534 -3.620) 5.607 14.335 ( 6.013 -5.084 3.333) 8.551 14.586 ( -4.098 -0.533 2.700) 4.936 15.825 ( 6.023 4.245 -1.928) 7.616 16.320 ( -14.689 -2.898 0.005) 14.972 16.869 ( 1.758 -14.515 -5.110) 15.489 16.912 ( 2.545 -14.258 -0.190) 14.484 17.670 ( 9.274 -1.133 8.062) 12.340 17.991 ( -1.217 -1.505 -2.346) 3.042 18.341 ( 4.923 -8.169 8.415) 12.719 18.702 ( -6.129 -12.638 -0.332) 14.049 ======================= Grid point 102 (42/120) ======================= q-point: (-0.50 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( -5.109 11.597 -1.131) 12.723 2.454 ( 5.109 11.597 -1.131) 12.723 2.854 ( -8.558 10.922 -3.397) 14.286 2.854 ( 8.558 10.922 -3.397) 14.286 3.590 ( -6.388 -5.914 -5.187) 10.133 3.590 ( 6.388 -5.914 -5.187) 10.133 3.980 ( -9.579 -8.953 1.283) 13.174 3.980 ( 9.579 -8.953 1.283) 13.174 5.053 ( -5.855 21.636 0.500) 22.419 5.053 ( 5.855 21.636 0.500) 22.419 5.384 ( -7.324 19.379 -0.797) 20.732 5.384 ( 7.324 19.379 -0.797) 20.732 6.848 ( -6.575 16.913 3.891) 18.559 6.848 ( 6.575 16.913 3.891) 18.559 7.414 ( -1.682 11.599 2.082) 11.904 7.414 ( 1.682 11.599 2.082) 11.904 8.291 ( -6.670 -0.289 3.848) 7.705 8.291 ( 6.670 -0.289 3.848) 7.705 8.851 ( -5.091 5.638 -5.042) 9.118 8.851 ( 5.091 5.638 -5.042) 9.118 9.528 ( -5.090 -1.598 -3.289) 6.267 9.528 ( 5.090 -1.598 -3.289) 6.267 10.065 ( -5.748 -7.135 -2.405) 9.473 10.065 ( 5.748 -7.135 -2.405) 9.473 10.199 ( -2.748 6.855 -9.526) 12.054 10.199 ( 2.748 6.855 -9.526) 12.054 10.718 ( -7.228 -2.397 -0.818) 7.659 10.718 ( 7.228 -2.397 -0.818) 7.659 11.112 ( -9.657 -3.553 -1.514) 10.401 11.112 ( 9.657 -3.553 -1.514) 10.401 11.436 ( -4.305 6.021 0.283) 7.407 11.436 ( 4.305 6.021 0.283) 7.407 12.440 ( -3.704 4.099 -0.066) 5.524 12.440 ( 3.704 4.099 -0.066) 5.524 13.213 ( -7.474 4.241 3.307) 9.208 13.213 ( 7.474 4.241 3.307) 9.208 13.950 ( -3.293 2.616 -5.011) 6.542 13.950 ( 3.293 2.616 -5.011) 6.542 14.471 ( -5.826 -3.084 3.424) 7.428 14.471 ( 5.826 -3.084 3.424) 7.428 16.021 ( -11.337 1.958 -0.211) 11.506 16.021 ( 11.337 1.958 -0.211) 11.506 16.912 ( -1.623 -14.685 -2.272) 14.949 16.912 ( 1.623 -14.685 -2.272) 14.949 17.881 ( -8.122 -1.217 2.502) 8.586 17.881 ( 8.122 -1.217 2.502) 8.586 18.518 ( -9.404 -11.303 3.254) 15.059 18.518 ( 9.404 -11.303 3.254) 15.059 ======================= Grid point 105 (43/120) ======================= q-point: ( 0.00 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( 0.000 13.867 -6.900) 15.489 2.688 ( 0.000 12.526 0.202) 12.528 2.853 ( 0.000 5.799 -1.072) 5.898 3.263 ( 0.000 -3.732 0.657) 3.789 3.350 ( 0.000 -2.637 -1.039) 2.835 3.375 ( 0.000 -3.264 -7.877) 8.527 3.729 ( 0.000 -7.694 -4.253) 8.791 3.971 ( 0.000 -12.547 -2.498) 12.793 5.279 ( 0.000 15.713 -0.767) 15.732 5.458 ( 0.000 9.760 2.978) 10.204 5.630 ( 0.000 17.282 3.269) 17.589 5.888 ( 0.000 10.162 -0.827) 10.195 7.065 ( 0.000 18.346 -3.123) 18.610 7.359 ( 0.000 6.067 -3.817) 7.168 7.537 ( 0.000 15.126 -0.294) 15.129 7.607 ( 0.000 11.543 4.070) 12.239 8.108 ( 0.000 4.700 5.914) 7.554 8.594 ( 0.000 7.633 -0.758) 7.670 8.924 ( 0.000 -0.360 6.460) 6.471 8.965 ( 0.000 -13.113 -9.628) 16.268 9.419 ( 0.000 3.719 -1.172) 3.900 9.582 ( 0.000 0.827 -1.663) 1.857 9.801 ( 0.000 -5.936 -1.494) 6.121 9.969 ( 0.000 5.883 -3.474) 6.832 10.008 ( 0.000 -12.169 3.912) 12.782 10.239 ( 0.000 0.783 -10.506) 10.535 10.639 ( 0.000 3.083 4.941) 5.824 10.798 ( 0.000 11.805 -10.511) 15.806 10.958 ( 0.000 -4.362 3.550) 5.624 11.322 ( 0.000 1.365 -7.760) 7.880 11.418 ( 0.000 -3.986 -15.110) 15.627 11.551 ( 0.000 -1.535 -12.266) 12.362 12.485 ( 0.000 7.004 1.689) 7.205 12.787 ( 0.000 6.695 8.016) 10.444 13.102 ( 0.000 4.420 10.982) 11.839 13.234 ( 0.000 -8.507 8.818) 12.253 14.008 ( 0.000 -3.845 -4.938) 6.258 14.092 ( 0.000 -4.767 1.329) 4.949 14.284 ( 0.000 10.597 2.537) 10.896 14.631 ( 0.000 -1.300 2.038) 2.417 15.868 ( 0.000 6.678 -3.849) 7.708 16.397 ( 0.000 -8.110 -1.405) 8.231 16.589 ( 0.000 -12.421 -2.488) 12.667 16.596 ( 0.000 -9.829 3.376) 10.393 17.590 ( 0.000 4.223 5.948) 7.295 17.924 ( 0.000 -3.782 -1.488) 4.064 18.224 ( 0.000 -1.490 4.321) 4.571 18.542 ( 0.000 -10.324 -2.663) 10.662 ======================= Grid point 106 (44/120) ======================= q-point: ( 0.25 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( -0.034 13.085 -2.283) 13.283 2.757 ( -0.877 11.388 -4.404) 12.241 2.890 ( 5.259 7.260 -1.907) 9.165 3.174 ( -3.845 5.300 -0.019) 6.548 3.344 ( 0.514 -7.600 -7.886) 10.964 3.540 ( 8.303 -6.013 -1.254) 10.329 3.645 ( -5.249 -8.968 -3.308) 10.905 3.927 ( -4.223 -12.084 -1.095) 12.847 5.324 ( 3.770 15.862 -0.399) 16.309 5.504 ( 2.615 11.624 1.312) 11.986 5.585 ( -2.296 15.423 3.051) 15.888 5.826 ( -5.240 10.080 -0.592) 11.376 7.090 ( 2.467 17.750 -2.341) 18.073 7.316 ( -5.268 12.455 -2.895) 13.829 7.519 ( 2.823 8.837 1.248) 9.361 7.656 ( 0.714 9.495 -0.032) 9.521 8.179 ( 6.101 6.125 6.594) 10.873 8.530 ( -5.821 7.384 2.985) 9.865 8.896 ( -1.474 -2.262 -2.391) 3.606 8.934 ( -2.184 -6.142 -5.265) 8.380 9.441 ( 2.404 2.746 -0.605) 3.699 9.568 ( -1.408 0.239 -0.866) 1.670 9.822 ( 1.814 -7.639 -1.149) 7.935 9.969 ( -3.042 -12.143 3.788) 13.079 10.140 ( 12.383 5.903 -6.494) 15.177 10.304 ( 4.370 3.443 -9.352) 10.882 10.619 ( -1.210 2.147 2.913) 3.815 10.822 ( -2.189 2.644 -4.515) 5.672 10.923 ( 1.566 0.911 -1.615) 2.427 11.285 ( -5.423 1.220 -11.482) 12.757 11.412 ( 1.631 -2.844 -9.423) 9.977 11.538 ( -1.541 -1.829 -10.969) 11.227 12.499 ( 1.621 7.862 3.087) 8.600 12.710 ( -5.968 8.878 9.173) 14.092 13.118 ( 1.962 -2.121 5.654) 6.349 13.240 ( -0.673 -6.486 10.220) 12.124 13.968 ( 0.190 0.249 -3.708) 3.722 14.185 ( -1.666 6.279 -0.760) 6.540 14.239 ( 3.092 -1.614 3.402) 4.872 14.561 ( -5.787 -2.158 2.094) 6.522 15.923 ( 4.779 5.980 -2.469) 8.044 16.271 ( -8.944 -1.565 0.837) 9.118 16.576 ( 1.395 -14.351 -2.214) 14.587 16.645 ( 0.470 -12.670 1.804) 12.806 17.700 ( 8.572 3.688 4.096) 10.191 17.978 ( 2.333 -0.711 -3.262) 4.073 18.204 ( 0.034 -4.926 5.510) 7.391 18.477 ( -5.623 -10.141 -1.770) 11.730 ======================= Grid point 107 (45/120) ======================= q-point: (-0.50 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( -3.782 11.512 -2.730) 12.421 2.682 ( 3.782 11.512 -2.730) 12.421 3.050 ( -7.324 8.522 -3.200) 11.684 3.050 ( 7.324 8.522 -3.200) 11.684 3.444 ( -7.629 -7.950 -5.423) 12.281 3.444 ( 7.629 -7.950 -5.423) 12.281 3.779 ( -8.640 -10.879 0.581) 13.905 3.779 ( 8.640 -10.879 0.581) 13.905 5.434 ( -5.578 16.486 0.471) 17.410 5.434 ( 5.578 16.486 0.471) 17.410 5.677 ( -7.184 10.045 0.589) 12.364 5.677 ( 7.184 10.045 0.589) 12.364 7.181 ( -5.542 16.261 -1.554) 17.250 7.181 ( 5.542 16.261 -1.554) 17.250 7.614 ( -3.999 6.890 -0.717) 7.998 7.614 ( 3.999 6.890 -0.717) 7.998 8.356 ( -8.797 7.136 6.190) 12.909 8.356 ( 8.797 7.136 6.190) 12.909 8.892 ( -1.156 -1.944 -5.151) 5.626 8.892 ( 1.156 -1.944 -5.151) 5.626 9.513 ( -3.319 0.610 -0.558) 3.421 9.513 ( 3.319 0.610 -0.558) 3.421 9.887 ( -3.759 -9.902 0.792) 10.621 9.887 ( 3.759 -9.902 0.792) 10.621 10.351 ( -2.786 7.500 -8.854) 11.933 10.351 ( 2.786 7.500 -8.854) 11.933 10.661 ( -7.015 -3.447 2.000) 8.067 10.661 ( 7.015 -3.447 2.000) 8.067 11.095 ( -10.083 2.621 -8.622) 13.523 11.095 ( 10.083 2.621 -8.622) 13.523 11.479 ( -3.401 -2.025 -9.044) 9.872 11.479 ( 3.401 -2.025 -9.044) 9.872 12.574 ( -5.152 9.311 6.640) 12.543 12.574 ( 5.152 9.311 6.640) 12.543 13.186 ( -3.522 -6.007 6.382) 9.446 13.186 ( 3.522 -6.007 6.382) 9.446 14.047 ( -6.229 6.555 -1.273) 9.132 14.047 ( 6.229 6.555 -1.273) 9.132 14.401 ( -7.848 -4.074 2.226) 9.118 14.401 ( 7.848 -4.074 2.226) 9.118 16.071 ( -8.144 3.513 -0.029) 8.869 16.071 ( 8.144 3.513 -0.029) 8.869 16.621 ( -2.060 -14.293 0.018) 14.441 16.621 ( 2.060 -14.293 0.018) 14.441 17.903 ( -8.023 3.157 0.318) 8.628 17.903 ( 8.023 3.157 0.318) 8.628 18.313 ( -8.033 -9.559 1.311) 12.555 18.313 ( 8.033 -9.559 1.311) 12.555 ======================= Grid point 110 (46/120) ======================= q-point: ( 0.00 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.873 ( 0.000 5.531 -2.639) 6.128 2.894 ( 0.000 3.983 -3.198) 5.108 2.979 ( 0.000 9.605 -5.037) 10.846 3.158 ( 0.000 -7.040 -2.827) 7.587 3.312 ( 0.000 -0.744 0.073) 0.747 3.329 ( 0.000 -1.923 1.011) 2.172 3.631 ( 0.000 -0.205 -7.486) 7.489 3.740 ( 0.000 -9.914 -3.763) 10.604 5.506 ( 0.000 7.273 0.545) 7.293 5.566 ( 0.000 1.216 2.193) 2.507 5.901 ( 0.000 9.498 1.878) 9.682 5.992 ( 0.000 0.351 0.629) 0.720 7.370 ( 0.000 10.661 -4.065) 11.410 7.450 ( 0.000 1.779 -4.405) 4.751 7.720 ( 0.000 4.221 -7.475) 8.584 7.744 ( 0.000 2.253 -2.299) 3.219 8.321 ( 0.000 15.426 6.675) 16.808 8.647 ( 0.000 -15.151 -5.000) 15.955 8.753 ( 0.000 4.942 4.066) 6.400 8.862 ( 0.000 -4.815 5.942) 7.649 9.510 ( 0.000 5.802 3.289) 6.669 9.652 ( 0.000 5.396 -0.958) 5.480 9.657 ( 0.000 -8.422 2.984) 8.935 9.782 ( 0.000 -8.275 3.534) 8.998 10.114 ( 0.000 6.504 -5.800) 8.715 10.215 ( 0.000 -3.351 -8.220) 8.877 10.721 ( 0.000 5.070 2.100) 5.487 10.829 ( 0.000 -5.526 1.172) 5.649 11.063 ( 0.000 11.586 -11.553) 16.362 11.263 ( 0.000 -7.927 -10.632) 13.262 11.399 ( 0.000 2.983 -18.889) 19.124 11.483 ( 0.000 -4.694 -18.543) 19.128 12.661 ( 0.000 10.004 5.164) 11.258 12.828 ( 0.000 -4.582 3.489) 5.759 13.127 ( 0.000 -0.630 19.771) 19.781 13.144 ( 0.000 -0.094 15.972) 15.972 13.962 ( 0.000 -0.544 -3.186) 3.232 13.995 ( 0.000 -3.814 -0.098) 3.815 14.469 ( 0.000 7.476 1.818) 7.693 14.580 ( 0.000 -3.937 1.975) 4.405 16.027 ( 0.000 9.459 -4.558) 10.500 16.228 ( 0.000 -9.950 -4.980) 11.127 16.415 ( 0.000 -3.455 3.945) 5.244 16.442 ( 0.000 -5.213 3.954) 6.543 17.698 ( 0.000 6.297 3.219) 7.072 17.824 ( 0.000 -6.092 1.365) 6.243 18.249 ( 0.000 3.878 -0.660) 3.934 18.365 ( 0.000 -7.558 -2.659) 8.012 ======================= Grid point 111 (47/120) ======================= q-point: ( 0.25 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( 0.835 9.135 -3.174) 9.707 2.956 ( 0.631 4.280 -4.345) 6.132 2.985 ( 2.872 5.931 -3.515) 7.469 3.175 ( 0.577 -8.744 -3.726) 9.522 3.285 ( -0.504 4.848 0.221) 4.879 3.405 ( 6.040 -7.076 0.029) 9.303 3.552 ( -6.339 1.719 -6.310) 9.108 3.694 ( -4.135 -10.724 -2.686) 11.803 5.559 ( 4.489 7.786 0.606) 9.008 5.626 ( 5.041 1.164 1.564) 5.404 5.838 ( -5.183 9.188 1.551) 10.663 5.928 ( -5.386 0.261 0.581) 5.424 7.394 ( 2.347 11.625 -3.928) 12.493 7.491 ( 2.635 3.240 -5.565) 6.957 7.640 ( -4.243 4.635 -3.395) 7.142 7.726 ( -2.752 -1.879 -5.039) 6.041 8.401 ( 6.206 14.564 6.149) 16.984 8.687 ( 0.757 -3.347 -1.733) 3.844 8.698 ( -2.133 -2.044 2.975) 4.193 8.842 ( -1.923 -6.090 3.546) 7.305 9.519 ( 1.151 5.351 2.440) 5.993 9.622 ( -2.179 4.659 -0.241) 5.149 9.660 ( 0.654 -7.994 2.022) 8.271 9.758 ( -2.176 -8.663 2.631) 9.311 10.253 ( 10.870 5.166 -4.742) 12.936 10.325 ( 8.292 -1.555 -6.121) 10.424 10.674 ( -4.082 3.409 0.814) 5.380 10.754 ( -6.579 -4.673 0.121) 8.071 11.097 ( 3.220 11.068 -12.052) 16.677 11.294 ( 2.679 -8.015 -11.334) 14.138 11.344 ( -4.686 4.271 -16.819) 17.974 11.455 ( -2.582 -5.813 -16.746) 17.913 12.692 ( 2.856 10.726 6.456) 12.840 12.847 ( 0.898 0.220 6.174) 6.243 13.022 ( -5.346 -1.325 13.471) 14.553 13.122 ( -3.844 -6.521 14.927) 16.737 14.009 ( 5.451 3.878 -1.441) 6.843 14.108 ( 7.811 -5.640 0.309) 9.639 14.380 ( -7.314 7.354 1.328) 10.457 14.496 ( -6.941 -4.471 1.663) 8.422 16.071 ( 3.648 9.004 -2.735) 10.092 16.248 ( 0.592 -4.677 -2.040) 5.136 16.345 ( -3.424 -4.443 2.106) 5.991 16.429 ( -2.129 -8.668 3.216) 9.487 17.799 ( 8.036 5.979 2.158) 10.246 17.918 ( 7.440 -5.365 0.262) 9.177 18.188 ( -5.256 3.273 -0.033) 6.192 18.301 ( -5.531 -7.581 -2.093) 9.615 ======================= Grid point 112 (48/120) ======================= q-point: (-0.50 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( -2.833 11.287 -3.705) 12.212 2.909 ( 2.833 11.287 -3.705) 12.212 3.102 ( -5.608 -6.078 -3.536) 8.994 3.102 ( 5.608 -6.078 -3.536) 8.994 3.385 ( -7.576 5.223 -3.431) 9.820 3.385 ( 7.576 5.223 -3.431) 9.820 3.563 ( -7.140 -10.707 -0.906) 12.901 3.563 ( 7.140 -10.707 -0.906) 12.901 5.690 ( -6.332 9.013 0.706) 11.037 5.690 ( 6.332 9.013 0.706) 11.037 5.778 ( -6.929 0.217 0.980) 7.002 5.778 ( 6.929 0.217 0.980) 7.002 7.471 ( -3.955 12.383 -4.722) 13.830 7.471 ( 3.955 12.383 -4.722) 13.830 7.642 ( -3.850 -4.142 -4.146) 7.012 7.642 ( 3.850 -4.142 -4.146) 7.012 8.557 ( -7.035 11.970 5.534) 14.947 8.557 ( 7.035 11.970 5.534) 14.947 8.777 ( -3.728 -9.218 -0.365) 9.950 8.777 ( 3.728 -9.218 -0.365) 9.950 9.565 ( -2.646 4.750 1.178) 5.564 9.565 ( 2.646 4.750 1.178) 5.564 9.699 ( -2.615 -8.544 1.605) 9.078 9.699 ( 2.615 -8.544 1.605) 9.078 10.481 ( -1.534 5.671 -4.741) 7.550 10.481 ( 1.534 5.671 -4.741) 7.550 10.581 ( -2.410 -4.583 -0.194) 5.181 10.581 ( 2.410 -4.583 -0.194) 5.181 11.209 ( -6.387 8.098 -13.321) 16.847 11.209 ( 6.387 8.098 -13.321) 16.847 11.375 ( -4.067 -7.710 -13.818) 16.338 11.375 ( 4.067 -7.710 -13.818) 16.338 12.788 ( -5.271 11.722 9.818) 16.173 12.788 ( 5.271 11.722 9.818) 16.173 13.014 ( -4.292 -10.620 9.204) 14.694 13.014 ( 4.292 -10.620 9.204) 14.694 14.183 ( -9.106 6.766 0.231) 11.347 14.183 ( 9.106 6.766 0.231) 11.347 14.306 ( -9.200 -5.571 1.253) 10.828 14.306 ( 9.200 -5.571 1.253) 10.828 16.175 ( -5.240 7.296 0.525) 8.998 16.175 ( 5.240 7.296 0.525) 8.998 16.362 ( -3.194 -11.516 0.728) 11.973 16.362 ( 3.194 -11.516 0.728) 11.973 17.997 ( -7.601 6.119 -0.360) 9.765 17.997 ( 7.601 6.119 -0.360) 9.765 18.138 ( -7.497 -8.066 0.073) 11.012 18.138 ( 7.497 -8.066 0.073) 11.012 ======================= Grid point 150 (49/120) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 0.000 0.000 22.847) 22.847 1.363 ( 0.000 0.000 28.766) 28.766 1.753 ( 0.000 0.000 5.203) 5.203 2.025 ( 0.000 0.000 9.277) 9.277 2.195 ( 0.000 0.000 33.526) 33.526 2.434 ( 0.000 0.000 1.451) 1.451 2.706 ( 0.000 0.000 -1.806) 1.806 3.080 ( 0.000 0.000 -4.881) 4.881 3.936 ( 0.000 0.000 -14.223) 14.223 4.085 ( 0.000 0.000 -14.279) 14.279 4.811 ( 0.000 0.000 2.907) 2.907 4.815 ( 0.000 0.000 14.313) 14.313 6.042 ( 0.000 0.000 1.771) 1.771 6.075 ( 0.000 0.000 1.839) 1.839 6.804 ( 0.000 0.000 -3.937) 3.937 7.515 ( 0.000 0.000 14.404) 14.404 7.543 ( 0.000 0.000 2.483) 2.483 7.794 ( 0.000 0.000 -0.863) 0.863 8.119 ( 0.000 0.000 16.885) 16.885 8.565 ( 0.000 0.000 3.826) 3.826 8.584 ( 0.000 0.000 3.765) 3.765 8.898 ( 0.000 0.000 -13.595) 13.595 9.937 ( 0.000 0.000 4.012) 4.012 10.231 ( 0.000 0.000 -0.747) 0.747 10.292 ( 0.000 0.000 -12.961) 12.961 10.327 ( 0.000 0.000 -11.670) 11.670 10.333 ( 0.000 0.000 0.415) 0.415 10.494 ( 0.000 0.000 -0.825) 0.825 11.040 ( 0.000 0.000 -16.982) 16.982 11.295 ( 0.000 0.000 2.496) 2.496 11.425 ( 0.000 0.000 -7.644) 7.644 11.589 ( 0.000 0.000 -1.954) 1.954 11.733 ( 0.000 0.000 7.343) 7.343 11.884 ( 0.000 0.000 4.207) 4.207 12.260 ( 0.000 0.000 2.662) 2.662 12.370 ( 0.000 0.000 4.838) 4.838 12.678 ( 0.000 0.000 -2.848) 2.848 13.297 ( 0.000 0.000 -32.051) 32.051 14.471 ( 0.000 0.000 0.342) 0.342 14.472 ( 0.000 0.000 0.303) 0.303 15.720 ( 0.000 0.000 10.819) 10.819 16.404 ( 0.000 0.000 -12.071) 12.071 17.604 ( 0.000 0.000 -12.959) 12.959 17.658 ( 0.000 0.000 -7.583) 7.583 18.529 ( 0.000 0.000 14.831) 14.831 18.697 ( 0.000 0.000 9.784) 9.784 20.264 ( 0.000 0.000 5.523) 5.523 20.670 ( 0.000 0.000 -3.701) 3.701 ======================= Grid point 151 (50/120) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 8.196 0.000 19.395) 21.056 1.354 ( 3.833 0.000 27.086) 27.356 1.655 ( -7.977 0.000 7.517) 10.961 1.909 ( -11.626 0.000 4.015) 12.300 2.490 ( 4.246 0.000 0.527) 4.279 2.495 ( 22.750 0.000 31.284) 38.681 2.676 ( -2.664 0.000 -1.562) 3.088 3.094 ( 0.331 0.000 -9.188) 9.194 3.972 ( 0.689 0.000 -2.511) 2.604 4.030 ( -4.366 0.000 -11.253) 12.070 4.643 ( -6.778 0.000 8.202) 10.640 4.801 ( -5.009 0.000 0.671) 5.054 6.047 ( 0.418 0.000 1.773) 1.822 6.071 ( -0.416 0.000 1.820) 1.867 6.890 ( 8.673 0.000 -0.703) 8.702 7.444 ( -9.193 0.000 5.747) 10.841 7.577 ( 2.887 0.000 2.102) 3.572 7.754 ( -3.349 0.000 -0.235) 3.358 8.331 ( 16.380 0.000 7.157) 17.875 8.570 ( 0.397 0.000 3.730) 3.751 8.583 ( -0.090 0.000 3.709) 3.711 8.862 ( -4.151 0.000 -3.727) 5.579 9.818 ( -0.166 0.000 2.831) 2.836 10.195 ( -9.162 0.000 2.519) 9.502 10.297 ( 0.422 0.000 -12.798) 12.804 10.322 ( -0.427 0.000 -11.917) 11.925 10.578 ( 8.723 0.000 0.564) 8.741 10.669 ( 18.226 0.000 -8.283) 20.020 11.114 ( 5.725 0.000 -14.514) 15.602 11.329 ( 2.921 0.000 2.289) 3.711 11.395 ( -2.547 0.000 -8.040) 8.434 11.524 ( -4.548 0.000 0.241) 4.555 11.778 ( 2.850 0.000 5.348) 6.060 11.872 ( -1.085 0.000 4.234) 4.371 11.965 ( -11.988 0.000 3.765) 12.566 12.274 ( -9.723 0.000 0.983) 9.772 12.938 ( 13.531 0.000 -12.305) 18.289 13.271 ( -2.537 0.000 -28.913) 29.024 14.461 ( 1.692 0.000 1.060) 1.996 14.535 ( 1.738 0.000 0.542) 1.821 15.809 ( 7.906 0.000 8.881) 11.890 16.311 ( -8.515 0.000 -6.563) 10.751 17.486 ( -5.197 0.000 -6.732) 8.505 17.603 ( -5.412 0.000 -10.408) 11.731 18.593 ( 4.630 0.000 12.342) 13.182 18.721 ( 0.771 0.000 10.014) 10.044 20.268 ( 1.535 0.000 5.525) 5.734 20.556 ( -8.317 0.000 1.766) 8.503 ======================= Grid point 152 (51/120) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -10.796 0.000 12.901) 16.822 1.435 ( 10.796 0.000 12.901) 16.822 1.586 ( -14.888 0.000 14.813) 21.001 1.586 ( 14.888 0.000 14.813) 21.001 2.593 ( -4.494 0.000 -0.783) 4.562 2.593 ( 4.494 0.000 -0.783) 4.562 2.965 ( -14.794 0.000 5.668) 15.843 2.965 ( 14.794 0.000 5.668) 15.843 3.949 ( -1.180 0.000 2.183) 2.481 3.949 ( 1.180 0.000 2.183) 2.481 4.651 ( -6.311 0.000 -2.279) 6.710 4.651 ( 6.311 0.000 -2.279) 6.710 6.059 ( -0.591 0.000 1.788) 1.883 6.059 ( 0.591 0.000 1.788) 1.883 7.160 ( -13.984 0.000 0.801) 14.007 7.160 ( 13.984 0.000 0.801) 14.007 7.662 ( -4.370 0.000 1.052) 4.495 7.662 ( 4.370 0.000 1.052) 4.495 8.578 ( -0.318 0.000 3.650) 3.663 8.578 ( 0.318 0.000 3.650) 3.663 8.676 ( -12.493 0.000 1.257) 12.557 8.676 ( 12.493 0.000 1.257) 12.557 9.957 ( -10.426 0.000 3.236) 10.916 9.957 ( 10.426 0.000 3.236) 10.916 10.310 ( -0.618 0.000 -12.398) 12.414 10.310 ( 0.618 0.000 -12.398) 12.414 10.780 ( -6.887 0.000 -2.860) 7.458 10.780 ( 6.887 0.000 -2.860) 7.458 11.276 ( -7.874 0.000 -9.468) 12.314 11.276 ( 7.874 0.000 -9.468) 12.314 11.417 ( -4.659 0.000 1.623) 4.934 11.417 ( 4.659 0.000 1.623) 4.934 11.836 ( -2.163 0.000 4.441) 4.940 11.836 ( 2.163 0.000 4.441) 4.940 11.996 ( -12.247 0.000 -2.880) 12.581 11.996 ( 12.247 0.000 -2.880) 12.581 13.168 ( -7.049 0.000 -21.927) 23.032 13.168 ( 7.049 0.000 -21.927) 23.032 14.521 ( -2.614 0.000 1.191) 2.873 14.521 ( 2.614 0.000 1.191) 2.873 16.053 ( -12.801 0.000 3.463) 13.261 16.053 ( 12.801 0.000 3.463) 13.261 17.478 ( -4.085 0.000 -8.658) 9.573 17.478 ( 4.085 0.000 -8.658) 9.573 18.691 ( -3.390 0.000 10.726) 11.249 18.691 ( 3.390 0.000 10.726) 11.249 20.369 ( -7.258 0.000 5.190) 8.922 20.369 ( 7.258 0.000 5.190) 8.922 ======================= Grid point 155 (52/120) ======================= q-point: ( 0.00 0.07 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 0.000 20.251 22.417) 30.210 1.412 ( 0.000 5.402 25.853) 26.411 2.086 ( 0.000 29.584 4.433) 29.914 2.089 ( 0.000 4.747 1.056) 4.863 2.317 ( 0.000 16.516 33.443) 37.299 2.613 ( 0.000 16.438 2.227) 16.588 2.919 ( 0.000 18.774 -2.649) 18.960 3.100 ( 0.000 3.326 -5.340) 6.291 3.903 ( 0.000 -1.560 -14.095) 14.181 4.079 ( 0.000 -0.447 -13.211) 13.218 4.763 ( 0.000 -4.582 12.303) 13.128 4.798 ( 0.000 -1.258 2.236) 2.565 6.131 ( 0.000 5.243 3.939) 6.558 6.142 ( 0.000 9.638 3.414) 10.225 6.746 ( 0.000 -1.565 2.575) 3.013 7.395 ( 0.000 -7.965 10.256) 12.985 7.935 ( 0.000 4.408 10.789) 11.654 8.070 ( 0.000 22.975 1.565) 23.029 8.255 ( 0.000 35.907 -11.075) 37.576 8.667 ( 0.000 5.820 3.761) 6.930 8.695 ( 0.000 8.389 2.305) 8.700 8.937 ( 0.000 3.654 -10.792) 11.394 9.837 ( 0.000 -6.246 -0.613) 6.276 10.007 ( 0.000 -7.580 -10.930) 13.301 10.327 ( 0.000 -1.067 -3.903) 4.046 10.385 ( 0.000 2.701 -7.085) 7.582 10.508 ( 0.000 1.807 -0.323) 1.836 10.578 ( 0.000 -0.450 -1.755) 1.812 10.868 ( 0.000 -12.435 -16.671) 20.798 11.024 ( 0.000 -0.908 -2.491) 2.651 11.577 ( 0.000 4.346 -1.389) 4.562 11.759 ( 0.000 12.650 -3.696) 13.179 11.776 ( 0.000 7.162 2.415) 7.559 11.909 ( 0.000 2.331 4.187) 4.792 12.367 ( 0.000 -0.103 4.291) 4.293 12.422 ( 0.000 11.324 -2.711) 11.644 12.728 ( 0.000 5.327 -2.546) 5.904 13.347 ( 0.000 5.137 -32.183) 32.591 14.479 ( 0.000 0.754 1.068) 1.308 14.560 ( 0.000 7.688 -0.063) 7.688 15.699 ( 0.000 -2.036 10.270) 10.470 16.408 ( 0.000 0.487 -12.067) 12.077 17.558 ( 0.000 -4.569 -12.850) 13.638 17.623 ( 0.000 -3.580 -7.708) 8.499 18.478 ( 0.000 -5.057 15.004) 15.833 18.654 ( 0.000 -4.232 9.497) 10.397 20.147 ( 0.000 -11.416 5.177) 12.535 20.280 ( 0.000 -33.716 10.145) 35.209 ======================= Grid point 156 (53/120) ======================= q-point: ( 0.25 0.07 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 4.625 7.256 23.024) 24.579 1.559 ( 8.479 22.741 17.753) 30.070 1.919 ( -11.503 11.419 3.319) 16.545 2.015 ( -8.583 21.197 7.134) 23.956 2.573 ( 17.709 11.470 23.879) 31.865 2.687 ( 6.464 17.406 3.653) 18.923 2.893 ( -2.026 19.256 -1.967) 19.462 3.118 ( 0.805 3.537 -9.184) 9.875 3.954 ( 2.116 -0.929 -3.972) 4.595 4.024 ( -4.397 -0.206 -9.831) 10.771 4.603 ( -6.930 -3.409 7.040) 10.450 4.775 ( -5.183 -2.410 0.123) 5.717 6.129 ( -0.142 6.374 3.803) 7.424 6.135 ( -0.376 7.508 3.545) 8.311 6.871 ( 10.134 -0.172 2.646) 10.475 7.354 ( -5.393 -5.471 8.170) 11.214 7.857 ( -1.836 8.908 3.939) 9.912 8.032 ( -4.552 30.078 -3.279) 30.596 8.403 ( 7.767 13.070 -1.587) 15.286 8.546 ( -4.517 0.310 1.566) 4.790 8.742 ( 4.654 10.975 2.177) 12.118 9.002 ( 0.466 9.875 -4.178) 10.733 9.786 ( 0.596 -1.739 -0.610) 1.937 10.028 ( -2.390 -9.114 -9.227) 13.188 10.333 ( 0.664 -0.845 -5.956) 6.052 10.403 ( -0.777 3.072 -3.147) 4.466 10.539 ( 3.862 -6.703 1.673) 7.915 10.667 ( 5.900 -2.080 -8.606) 10.639 10.946 ( 4.825 -8.776 -13.549) 16.849 10.975 ( -3.146 -10.368 -0.653) 10.854 11.562 ( -0.029 3.436 -1.161) 3.627 11.786 ( -0.578 14.458 -1.881) 14.591 11.819 ( 3.429 5.601 1.127) 6.663 11.915 ( 2.360 6.789 2.590) 7.640 12.115 ( -11.786 8.878 1.702) 14.853 12.339 ( -6.973 7.419 1.231) 10.256 12.973 ( 12.720 3.579 -13.668) 19.011 13.312 ( -3.192 4.362 -29.881) 30.366 14.491 ( 1.913 2.178 1.504) 3.266 14.590 ( 0.711 5.208 0.801) 5.317 15.792 ( 8.279 -1.569 8.536) 11.995 16.312 ( -8.844 0.144 -6.417) 10.928 17.443 ( -4.956 -4.257 -6.976) 9.558 17.569 ( -5.381 -3.478 -10.502) 12.303 18.542 ( 4.623 -4.968 12.289) 14.038 18.673 ( 0.452 -4.754 9.804) 10.905 20.122 ( 0.211 -15.149 6.525) 16.496 20.274 ( -2.069 -24.059 8.033) 25.449 ======================= Grid point 157 (54/120) ======================= q-point: (-0.50 0.07 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -14.385 6.986 11.610) 19.762 1.608 ( 14.385 6.986 11.610) 19.762 1.782 ( -10.768 24.923 12.285) 29.799 1.782 ( 10.768 24.923 12.285) 29.799 2.781 ( -4.395 17.166 0.759) 17.736 2.781 ( 4.395 17.166 0.759) 17.736 3.025 ( -11.543 7.449 2.851) 14.031 3.025 ( 11.543 7.449 2.851) 14.031 3.948 ( -0.476 0.183 1.781) 1.852 3.948 ( 0.476 0.183 1.781) 1.852 4.615 ( -6.831 -3.155 -2.707) 7.996 4.615 ( 6.831 -3.155 -2.707) 7.996 6.129 ( -0.174 6.630 3.678) 7.584 6.129 ( 0.174 6.630 3.678) 7.584 7.139 ( -12.358 -1.165 3.859) 12.999 7.139 ( 12.358 -1.165 3.859) 12.999 7.907 ( -5.178 18.600 -0.827) 19.325 7.907 ( 5.178 18.600 -0.827) 19.325 8.495 ( -1.764 1.591 3.018) 3.841 8.495 ( 1.764 1.591 3.018) 3.841 8.905 ( -7.809 13.126 -2.087) 15.415 8.905 ( 7.809 13.126 -2.087) 15.415 9.898 ( -7.542 -4.103 -1.967) 8.808 9.898 ( 7.542 -4.103 -1.967) 8.808 10.361 ( -1.871 1.788 -5.842) 6.390 10.361 ( 1.871 1.788 -5.842) 6.390 10.669 ( -5.536 -10.328 -1.072) 11.767 10.669 ( 5.536 -10.328 -1.072) 11.767 10.972 ( -2.375 -9.485 -8.537) 12.980 10.972 ( 2.375 -9.485 -8.537) 12.980 11.653 ( -7.856 4.964 1.309) 9.385 11.653 ( 7.856 4.964 1.309) 9.385 11.905 ( -4.067 6.906 1.324) 8.123 11.905 ( 4.067 6.906 1.324) 8.123 12.133 ( -10.085 13.557 -2.446) 17.073 12.133 ( 10.085 13.557 -2.446) 17.073 13.197 ( -7.305 3.135 -23.483) 24.792 13.197 ( 7.305 3.135 -23.483) 24.792 14.557 ( -3.137 3.288 1.665) 4.840 14.557 ( 3.137 3.288 1.665) 4.840 16.045 ( -13.217 -0.769 3.552) 13.708 16.045 ( 13.217 -0.769 3.552) 13.708 17.442 ( -4.280 -3.618 -8.965) 10.572 17.442 ( 4.280 -3.618 -8.965) 10.572 18.640 ( -3.383 -5.067 10.537) 12.172 18.640 ( 3.383 -5.067 10.537) 12.172 20.187 ( -4.659 -17.161 6.847) 19.054 20.187 ( 4.659 -17.161 6.847) 19.054 ======================= Grid point 160 (55/120) ======================= q-point: ( 0.00 0.13 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 0.000 11.929 19.020) 22.451 1.688 ( 0.000 9.545 23.568) 25.428 2.207 ( 0.000 7.985 1.911) 8.210 2.728 ( 0.000 30.445 3.923) 30.696 2.857 ( 0.000 30.659 12.805) 33.225 3.020 ( 0.000 25.615 6.072) 26.324 3.103 ( 0.000 3.782 -10.184) 10.864 3.483 ( 0.000 29.957 -1.792) 30.011 3.931 ( 0.000 5.387 -14.076) 15.072 4.085 ( 0.000 1.785 -9.663) 9.827 4.674 ( 0.000 -3.073 7.377) 7.991 4.762 ( 0.000 -2.313 0.984) 2.513 6.269 ( 0.000 8.470 8.419) 11.943 6.396 ( 0.000 15.428 6.441) 16.719 6.753 ( 0.000 1.530 7.915) 8.062 7.261 ( 0.000 -5.062 6.930) 8.582 7.964 ( 0.000 5.114 10.953) 12.088 8.568 ( 0.000 24.491 1.236) 24.522 8.659 ( 0.000 -4.225 4.205) 5.961 8.784 ( 0.000 -2.013 3.838) 4.334 9.015 ( 0.000 4.886 -11.005) 12.041 9.038 ( 0.000 32.366 -19.539) 37.807 9.810 ( 0.000 3.473 -6.441) 7.318 9.927 ( 0.000 -1.558 -13.502) 13.591 10.107 ( 0.000 -21.126 -7.487) 22.414 10.361 ( 0.000 -4.595 -5.125) 6.883 10.459 ( 0.000 1.044 4.952) 5.061 10.571 ( 0.000 3.697 -2.516) 4.472 10.684 ( 0.000 -4.098 -10.847) 11.596 11.180 ( 0.000 5.071 7.741) 9.254 11.584 ( 0.000 -2.720 -2.301) 3.563 11.941 ( 0.000 1.719 3.510) 3.908 12.003 ( 0.000 9.200 -3.411) 9.812 12.136 ( 0.000 26.555 -10.741) 28.645 12.391 ( 0.000 3.790 2.937) 4.794 12.587 ( 0.000 5.402 -10.544) 11.848 12.907 ( 0.000 12.969 -1.866) 13.103 13.495 ( 0.000 9.422 -29.800) 31.254 14.492 ( 0.000 0.243 2.641) 2.652 14.709 ( 0.000 5.829 0.234) 5.834 15.653 ( 0.000 -2.165 7.865) 8.157 16.424 ( 0.000 1.107 -11.918) 11.970 17.423 ( 0.000 -9.078 -12.366) 15.340 17.515 ( 0.000 -7.400 -7.434) 10.489 18.340 ( 0.000 -8.520 15.396) 17.596 18.534 ( 0.000 -7.801 9.267) 12.113 19.575 ( 0.000 -33.533 21.724) 39.955 19.841 ( 0.000 -18.613 4.080) 19.055 ======================= Grid point 161 (56/120) ======================= q-point: ( 0.25 0.13 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 4.399 12.554 16.031) 20.832 1.920 ( 12.973 10.496 17.826) 24.417 2.084 ( -9.491 10.521 2.999) 14.483 2.549 ( -12.103 22.916 5.686) 26.533 3.000 ( 9.636 28.899 10.575) 32.246 3.121 ( 6.430 22.458 1.117) 23.387 3.178 ( 5.806 13.174 -5.923) 15.567 3.445 ( -3.059 27.703 -3.260) 28.062 3.980 ( 1.892 5.014 -8.363) 9.932 4.047 ( -2.538 3.303 -4.740) 6.310 4.537 ( -6.863 -2.435 3.474) 8.069 4.718 ( -5.602 -2.885 -0.654) 6.335 6.276 ( 0.617 8.721 8.317) 12.067 6.344 ( -2.887 12.336 7.314) 14.629 6.902 ( 10.580 3.265 6.855) 13.022 7.262 ( -1.512 -3.387 6.875) 7.812 7.977 ( 3.032 6.716 6.067) 9.545 8.498 ( -13.877 1.784 -1.452) 14.067 8.601 ( 1.423 21.491 2.380) 21.669 8.750 ( -2.925 2.961 4.505) 6.134 8.946 ( 6.094 11.661 -10.806) 17.026 9.177 ( 1.344 11.360 -11.535) 16.246 9.811 ( 0.855 3.947 -5.650) 6.946 9.913 ( -1.565 -2.405 -11.305) 11.663 10.141 ( 2.735 -16.695 -5.054) 17.656 10.331 ( -5.437 -6.515 -1.369) 8.595 10.470 ( 5.965 2.603 -3.575) 7.426 10.663 ( 5.846 3.173 -2.638) 7.156 10.816 ( 7.841 -3.611 -9.146) 12.576 11.025 ( -11.104 6.693 4.800) 13.826 11.554 ( -0.729 -3.249 -1.169) 3.529 11.872 ( -6.395 0.043 5.104) 8.182 11.998 ( 1.029 9.921 -3.295) 10.504 12.238 ( -9.789 8.349 -2.409) 13.090 12.264 ( 7.958 19.819 -5.317) 22.009 12.523 ( -3.115 9.314 2.399) 10.110 13.088 ( 10.634 8.375 -15.353) 20.468 13.444 ( -4.543 8.588 -29.129) 30.706 14.528 ( 3.342 1.389 2.722) 4.528 14.698 ( -1.622 4.418 1.495) 4.938 15.756 ( 8.934 -1.816 6.912) 11.440 16.317 ( -9.822 0.376 -5.913) 11.470 17.320 ( -3.920 -8.109 -7.600) 11.785 17.468 ( -5.040 -6.676 -10.565) 13.476 18.407 ( 4.650 -8.369 12.224) 15.527 18.541 ( -0.217 -8.417 9.588) 12.761 19.636 ( 5.032 -29.026 15.483) 33.280 19.835 ( -1.242 -20.909 5.769) 21.725 ======================= Grid point 162 (57/120) ======================= q-point: (-0.50 0.13 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -13.283 11.107 7.872) 19.020 1.784 ( 13.283 11.107 7.872) 19.020 2.251 ( -13.972 17.523 10.519) 24.757 2.251 ( 13.972 17.523 10.519) 24.757 3.169 ( -3.328 20.550 0.771) 20.832 3.169 ( 3.328 20.550 0.771) 20.832 3.344 ( -6.767 24.470 -2.027) 25.469 3.344 ( 6.767 24.470 -2.027) 25.469 3.987 ( -2.065 5.063 1.288) 5.618 3.987 ( 2.065 5.063 1.288) 5.618 4.549 ( -7.172 -3.004 -3.570) 8.556 4.549 ( 7.172 -3.004 -3.570) 8.556 6.297 ( -1.368 9.872 8.022) 12.794 6.297 ( 1.368 9.872 8.022) 12.794 7.139 ( -9.180 1.365 6.411) 11.280 7.139 ( 9.180 1.365 6.411) 11.280 8.161 ( -13.052 7.581 -0.219) 15.095 8.161 ( 13.052 7.581 -0.219) 15.095 8.674 ( -3.849 9.009 3.853) 10.528 8.674 ( 3.849 9.009 3.853) 10.528 9.110 ( -6.337 9.553 -9.910) 15.153 9.110 ( 6.337 9.553 -9.910) 15.153 9.859 ( -2.936 0.254 -6.313) 6.967 9.859 ( 2.936 0.254 -6.313) 6.967 10.218 ( -4.217 -11.219 -2.704) 12.287 10.218 ( 4.217 -11.219 -2.704) 12.287 10.646 ( -8.469 5.718 -0.607) 10.237 10.646 ( 8.469 5.718 -0.607) 10.237 10.897 ( -1.263 0.055 -7.389) 7.496 10.897 ( 1.263 0.055 -7.389) 7.496 11.658 ( -9.992 -2.469 4.025) 11.052 11.658 ( 9.992 -2.469 4.025) 11.052 12.070 ( -5.100 9.068 -3.186) 10.881 12.070 ( 5.100 9.068 -3.186) 10.881 12.427 ( -5.846 14.751 1.487) 15.936 12.427 ( 5.846 14.751 1.487) 15.936 13.300 ( -8.077 7.203 -25.015) 27.256 13.300 ( 8.077 7.203 -25.015) 27.256 14.625 ( -4.506 2.881 2.587) 5.941 14.625 ( 4.506 2.881 2.587) 5.941 16.026 ( -14.165 -1.058 3.449) 14.617 16.026 ( 14.165 -1.058 3.449) 14.617 17.339 ( -4.831 -6.580 -9.733) 12.703 17.339 ( 4.831 -6.580 -9.733) 12.703 18.502 ( -3.258 -8.559 10.189) 13.700 18.502 ( 3.258 -8.559 10.189) 13.700 19.762 ( -5.154 -23.929 8.765) 25.999 19.762 ( 5.154 -23.929 8.765) 25.999 ======================= Grid point 165 (58/120) ======================= q-point: ( 0.00 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 0.000 8.056 14.144) 16.277 1.862 ( 0.000 15.350 12.193) 19.604 2.395 ( 0.000 10.280 3.334) 10.807 3.060 ( 0.000 4.016 -8.235) 9.162 3.226 ( 0.000 9.789 -1.820) 9.957 3.289 ( 0.000 12.287 -2.410) 12.521 3.699 ( 0.000 36.664 7.880) 37.501 4.013 ( 0.000 12.805 -3.036) 13.160 4.124 ( 0.000 12.378 -10.168) 16.019 4.228 ( 0.000 20.472 -2.100) 20.580 4.719 ( 0.000 10.036 -0.145) 10.037 4.733 ( 0.000 1.138 1.168) 1.631 6.455 ( 0.000 9.604 11.680) 15.122 6.733 ( 0.000 18.208 8.598) 20.136 6.806 ( 0.000 4.926 11.504) 12.514 7.199 ( 0.000 -1.324 4.160) 4.365 8.170 ( 0.000 14.960 5.037) 15.785 8.500 ( 0.000 -10.196 3.162) 10.675 8.638 ( 0.000 -9.682 5.267) 11.022 8.958 ( 0.000 13.678 -0.618) 13.692 9.155 ( 0.000 8.638 -13.796) 16.277 9.508 ( 0.000 14.486 -15.051) 20.890 9.710 ( 0.000 -17.226 -5.292) 18.021 9.854 ( 0.000 -1.057 -12.653) 12.697 9.918 ( 0.000 0.475 -11.034) 11.044 10.291 ( 0.000 -1.030 -5.642) 5.735 10.532 ( 0.000 4.801 1.274) 4.967 10.555 ( 0.000 -4.090 -11.465) 12.173 10.775 ( 0.000 10.205 5.632) 11.656 11.229 ( 0.000 1.633 13.570) 13.668 11.495 ( 0.000 -6.005 -5.612) 8.219 11.907 ( 0.000 -4.937 6.542) 8.196 12.142 ( 0.000 4.936 -5.902) 7.694 12.560 ( 0.000 13.014 3.209) 13.404 12.566 ( 0.000 9.474 8.997) 13.065 12.748 ( 0.000 16.798 -29.340) 33.808 13.228 ( 0.000 18.681 -1.340) 18.729 13.697 ( 0.000 10.311 -24.519) 26.599 14.482 ( 0.000 -1.353 4.109) 4.326 14.764 ( 0.000 0.015 2.859) 2.859 15.626 ( 0.000 -0.453 3.377) 3.407 16.452 ( 0.000 1.717 -11.145) 11.276 17.205 ( 0.000 -12.673 -11.274) 16.962 17.333 ( 0.000 -10.752 -5.657) 12.149 18.155 ( 0.000 -9.829 15.644) 18.475 18.352 ( 0.000 -10.289 9.585) 14.062 19.028 ( 0.000 -21.552 18.501) 28.404 19.447 ( 0.000 -20.352 2.195) 20.470 ======================= Grid point 166 (59/120) ======================= q-point: ( 0.25 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 4.658 14.290 8.001) 17.027 2.065 ( 10.212 7.120 13.197) 18.142 2.313 ( -4.899 11.382 2.369) 12.615 2.829 ( -15.057 7.631 0.794) 16.899 3.305 ( 7.590 4.230 -7.976) 11.795 3.466 ( 7.471 14.995 -0.817) 16.773 3.778 ( 6.019 34.245 5.830) 35.255 3.924 ( -3.557 14.566 -6.002) 16.151 4.170 ( -1.719 10.961 -1.161) 11.156 4.255 ( 4.547 22.735 -3.864) 23.505 4.549 ( -9.241 4.818 -0.885) 10.459 4.711 ( -5.222 5.441 -1.339) 7.660 6.464 ( 1.054 9.847 11.816) 15.417 6.601 ( -5.297 13.589 10.997) 18.266 7.007 ( 10.361 7.821 8.865) 15.719 7.225 ( 1.280 -0.383 4.664) 4.852 8.182 ( 2.131 13.862 2.571) 14.259 8.459 ( -3.518 -4.719 1.838) 6.166 8.638 ( -0.042 -9.119 4.425) 10.136 8.858 ( -13.919 3.310 -4.094) 14.882 9.124 ( 8.330 9.864 -6.886) 14.632 9.469 ( -3.665 12.002 -13.456) 18.400 9.811 ( 2.610 -7.001 -7.012) 10.247 9.888 ( -0.282 -2.659 -9.992) 10.344 9.929 ( 5.273 0.421 -8.857) 10.316 10.260 ( -6.347 -1.022 -6.621) 9.229 10.503 ( 7.656 0.256 -4.287) 8.778 10.752 ( 8.413 -1.973 -7.375) 11.361 10.809 ( 2.205 9.214 3.564) 10.122 11.160 ( -5.952 6.883 7.816) 11.995 11.451 ( -0.805 -6.822 -1.919) 7.132 11.829 ( -7.583 -4.179 8.017) 11.800 12.155 ( 1.611 5.389 -5.377) 7.782 12.377 ( -8.265 7.837 -0.298) 11.393 12.693 ( 3.820 13.715 8.472) 16.567 12.731 ( -0.338 19.131 -13.837) 23.613 13.308 ( 6.079 13.372 -11.390) 18.587 13.629 ( -5.809 9.391 -24.098) 26.508 14.538 ( 4.588 -0.523 3.704) 5.920 14.739 ( -2.414 -0.150 3.377) 4.154 15.731 ( 9.102 -0.531 3.697) 9.838 16.327 ( -11.325 0.506 -4.778) 12.302 17.133 ( -1.549 -10.351 -8.593) 13.542 17.309 ( -3.835 -9.279 -9.742) 13.989 18.224 ( 4.691 -9.893 12.360) 16.512 18.351 ( -0.484 -10.352 9.594) 14.123 19.121 ( 7.347 -22.156 14.582) 27.522 19.414 ( -3.211 -21.159 3.783) 21.733 ======================= Grid point 167 (60/120) ======================= q-point: (-0.50 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -9.658 12.025 4.107) 15.961 2.021 ( 9.658 12.025 4.107) 15.961 2.475 ( -15.407 7.695 7.079) 18.620 2.475 ( 15.407 7.695 7.079) 18.620 3.480 ( -5.945 8.029 -5.460) 11.385 3.480 ( 5.945 8.029 -5.460) 11.385 3.892 ( -2.994 27.068 -0.198) 27.233 3.892 ( 2.994 27.068 -0.198) 27.233 4.197 ( -6.967 15.147 2.048) 16.798 4.197 ( 6.967 15.147 2.048) 16.798 4.544 ( -7.810 5.768 -4.776) 10.820 4.544 ( 7.810 5.768 -4.776) 10.820 6.510 ( -3.048 11.558 11.799) 16.795 6.510 ( 3.048 11.558 11.799) 16.795 7.192 ( -5.119 3.932 6.712) 9.312 7.192 ( 5.119 3.932 6.712) 9.312 8.310 ( -8.703 8.105 -0.814) 11.920 8.310 ( 8.703 8.105 -0.814) 11.920 8.657 ( -3.014 -6.885 1.551) 7.674 8.657 ( 3.014 -6.885 1.551) 7.674 9.335 ( -8.401 9.856 -9.033) 15.790 9.335 ( 8.401 9.856 -9.033) 15.790 9.848 ( -1.872 -1.727 -7.680) 8.092 9.848 ( 1.872 -1.727 -7.680) 8.092 10.091 ( -7.714 -1.670 -6.579) 10.275 10.091 ( 7.714 -1.670 -6.579) 10.275 10.712 ( -8.255 0.014 -2.983) 8.778 10.712 ( 8.255 0.014 -2.983) 8.778 10.979 ( -9.361 7.061 -3.719) 12.301 10.979 ( 9.361 7.061 -3.719) 12.301 11.588 ( -11.673 -4.089 7.016) 14.220 11.588 ( 11.673 -4.089 7.016) 14.220 12.227 ( -4.905 6.367 -3.724) 8.858 12.227 ( 4.905 6.367 -3.724) 8.858 12.735 ( -0.296 16.747 2.817) 16.985 12.735 ( 0.296 16.747 2.817) 16.985 13.468 ( -7.765 9.218 -21.030) 24.239 13.468 ( 7.765 9.218 -21.030) 24.239 14.654 ( -4.993 -0.080 3.555) 6.130 14.654 ( 4.993 -0.080 3.555) 6.130 16.009 ( -14.833 -0.565 2.643) 15.078 16.009 ( 14.833 -0.565 2.643) 15.078 17.190 ( -5.368 -8.286 -10.300) 14.267 17.190 ( 5.368 -8.286 -10.300) 14.267 18.314 ( -2.943 -10.048 9.931) 14.431 18.314 ( 2.943 -10.048 9.931) 14.431 19.296 ( -7.154 -22.244 8.073) 24.721 19.296 ( 7.154 -22.244 8.073) 24.721 ======================= Grid point 170 (61/120) ======================= q-point: ( 0.00 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 0.000 10.771 4.277) 11.589 2.173 ( 0.000 15.652 7.420) 17.322 2.585 ( 0.000 8.458 1.375) 8.569 3.095 ( 0.000 0.650 -14.831) 14.845 3.330 ( 0.000 1.954 -4.705) 5.094 3.408 ( 0.000 0.747 0.970) 1.224 4.017 ( 0.000 -5.974 -1.566) 6.176 4.235 ( 0.000 1.490 -4.903) 5.125 4.384 ( 0.000 27.017 1.223) 27.044 4.771 ( 0.000 27.405 0.235) 27.406 4.918 ( 0.000 18.121 3.502) 18.457 5.071 ( 0.000 22.714 -4.385) 23.133 6.618 ( 0.000 7.261 11.569) 13.658 6.995 ( 0.000 13.902 10.067) 17.164 7.097 ( 0.000 17.185 7.120) 18.602 7.205 ( 0.000 2.610 3.812) 4.620 8.302 ( 0.000 -8.234 4.043) 9.173 8.484 ( 0.000 -4.776 3.421) 5.874 8.518 ( 0.000 18.629 1.165) 18.666 9.063 ( 0.000 -2.356 -6.993) 7.379 9.375 ( 0.000 13.203 -12.943) 18.489 9.427 ( 0.000 -10.956 -5.289) 12.166 9.644 ( 0.000 0.838 -8.496) 8.537 9.807 ( 0.000 -2.219 -10.632) 10.861 9.954 ( 0.000 2.578 -9.234) 9.587 10.292 ( 0.000 -0.372 -7.763) 7.771 10.460 ( 0.000 -4.528 -5.816) 7.370 10.613 ( 0.000 2.997 -1.005) 3.161 10.971 ( 0.000 8.040 2.342) 8.375 11.262 ( 0.000 0.914 10.432) 10.472 11.358 ( 0.000 -7.280 -9.934) 12.315 11.755 ( 0.000 -10.115 3.948) 10.858 12.241 ( 0.000 6.047 -0.570) 6.074 12.676 ( 0.000 5.546 5.146) 7.565 12.849 ( 0.000 14.785 3.981) 15.312 13.094 ( 0.000 14.999 -12.553) 19.559 13.610 ( 0.000 19.184 -1.048) 19.212 13.866 ( 0.000 5.835 -17.682) 18.620 14.437 ( 0.000 -3.120 5.248) 6.106 14.738 ( 0.000 -1.823 4.631) 4.976 15.635 ( 0.000 1.326 -0.753) 1.525 16.487 ( 0.000 1.512 -8.753) 8.882 16.936 ( 0.000 -14.157 -9.943) 17.300 17.103 ( 0.000 -12.040 -2.631) 12.324 17.965 ( 0.000 -9.026 15.158) 17.642 18.152 ( 0.000 -9.255 7.896) 12.166 18.695 ( 0.000 -13.154 11.511) 17.479 19.060 ( 0.000 -18.425 -0.272) 18.427 ======================= Grid point 171 (62/120) ======================= q-point: ( 0.25 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 5.242 11.151 2.386) 12.550 2.255 ( 5.580 11.974 7.336) 15.111 2.519 ( -3.537 9.409 -0.750) 10.080 2.937 ( -13.663 4.400 -2.290) 14.536 3.316 ( 7.249 -2.210 -9.860) 12.435 3.611 ( 5.022 1.483 -3.474) 6.284 3.974 ( 0.597 -4.971 -1.789) 5.317 4.247 ( -1.088 -0.904 -1.883) 2.355 4.443 ( 5.025 26.708 0.930) 27.193 4.784 ( 0.510 24.935 -1.786) 25.004 4.809 ( -7.029 23.275 2.412) 24.433 5.018 ( -4.772 22.442 -3.761) 23.250 6.648 ( 2.871 8.824 11.770) 14.987 6.885 ( -6.435 14.678 11.093) 19.491 7.201 ( 5.931 9.035 4.823) 11.835 7.265 ( 3.672 6.887 5.404) 9.493 8.328 ( 2.332 -5.772 3.734) 7.259 8.483 ( -1.453 -1.818 4.332) 4.917 8.509 ( 0.847 13.114 -1.209) 13.197 8.876 ( -14.789 -0.489 -8.012) 16.827 9.269 ( 4.665 3.863 -6.845) 9.140 9.575 ( -4.916 -0.345 -8.196) 9.564 9.721 ( 9.733 0.465 -9.336) 13.495 9.859 ( 2.191 -0.473 -9.576) 9.835 9.968 ( 2.260 2.222 -7.891) 8.504 10.241 ( -6.194 -2.118 -7.737) 10.135 10.494 ( 7.360 -0.495 -3.710) 8.257 10.706 ( 4.312 -1.892 -4.267) 6.355 10.986 ( 1.193 6.607 -0.379) 6.725 11.254 ( -7.290 -2.578 -8.762) 11.686 11.316 ( 4.973 -2.277 7.747) 9.483 11.709 ( -5.257 -7.985 6.411) 11.511 12.256 ( 1.935 6.151 -0.463) 6.465 12.533 ( -9.165 8.282 4.549) 13.163 12.930 ( 5.376 11.699 0.191) 12.877 13.119 ( 0.411 16.866 -3.595) 17.250 13.591 ( -0.317 14.476 -5.588) 15.520 13.789 ( -6.073 6.534 -16.485) 18.744 14.505 ( 5.145 -2.834 4.393) 7.335 14.710 ( -2.545 -2.182 4.647) 5.730 15.737 ( 8.838 1.201 0.452) 8.930 16.333 ( -12.799 -0.012 -2.581) 13.056 16.924 ( 1.847 -10.561 -9.638) 14.416 17.107 ( -1.857 -10.885 -6.995) 13.071 18.029 ( 4.617 -9.359 12.427) 16.228 18.153 ( -0.289 -9.073 7.872) 12.015 18.758 ( 5.264 -15.093 9.878) 18.791 19.018 ( -3.721 -18.522 1.327) 18.939 ======================= Grid point 172 (63/120) ======================= q-point: (-0.50 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -6.487 9.910 1.476) 11.936 2.239 ( 6.487 9.910 1.476) 11.936 2.624 ( -12.401 8.120 2.063) 14.966 2.624 ( 12.401 8.120 2.063) 14.966 3.522 ( -9.225 -2.059 -8.050) 12.415 3.522 ( 9.225 -2.059 -8.050) 12.415 4.128 ( -8.967 -2.431 0.373) 9.299 4.128 ( 8.967 -2.431 0.373) 9.299 4.599 ( -8.678 25.143 0.391) 26.601 4.599 ( 8.678 25.143 0.391) 26.601 4.884 ( -6.117 24.516 -3.071) 25.454 4.884 ( 6.117 24.516 -3.071) 25.454 6.746 ( -5.639 11.859 11.809) 17.660 6.746 ( 5.639 11.859 11.809) 17.660 7.298 ( -1.625 6.986 5.026) 8.758 7.298 ( 1.625 6.986 5.026) 8.758 8.406 ( -4.287 -1.043 3.740) 5.784 8.406 ( 4.287 -1.043 3.740) 5.784 8.605 ( -8.051 5.284 -4.901) 10.806 8.605 ( 8.051 5.284 -4.901) 10.806 9.429 ( -7.745 0.624 -6.835) 10.348 9.429 ( 7.745 0.624 -6.835) 10.348 9.848 ( -2.710 2.329 -9.481) 10.132 9.848 ( 2.710 2.329 -9.481) 10.132 10.081 ( -6.934 -0.611 -6.494) 9.519 10.081 ( 6.934 -0.611 -6.494) 9.519 10.688 ( -6.609 -1.614 -3.956) 7.869 10.688 ( 6.609 -1.614 -3.956) 7.869 11.072 ( -7.182 0.560 -7.880) 10.677 11.072 ( 7.182 0.560 -7.880) 10.677 11.513 ( -10.825 -3.407 8.140) 13.966 11.513 ( 10.825 -3.407 8.140) 13.966 12.349 ( -6.453 7.118 1.575) 9.736 12.349 ( 6.453 7.118 1.575) 9.736 13.060 ( -5.310 14.750 1.764) 15.776 13.060 ( 5.310 14.750 1.764) 15.776 13.648 ( -5.312 8.872 -13.253) 16.809 13.648 ( 5.312 8.872 -13.253) 16.809 14.625 ( -4.928 -2.637 4.289) 7.045 14.625 ( 4.928 -2.637 4.289) 7.045 16.007 ( -14.461 0.378 1.520) 14.546 16.007 ( 14.461 0.378 1.520) 14.546 17.017 ( -5.216 -9.177 -9.375) 14.118 17.017 ( 5.216 -9.177 -9.375) 14.118 18.120 ( -2.888 -9.110 9.023) 13.143 18.120 ( 2.888 -9.110 9.023) 13.143 18.900 ( -6.485 -17.801 5.465) 19.718 18.900 ( 6.485 -17.801 5.465) 19.718 ======================= Grid point 175 (64/120) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 0.000 13.039 -2.262) 13.234 2.467 ( 0.000 13.672 4.174) 14.295 2.721 ( 0.000 5.239 -1.675) 5.500 3.103 ( 0.000 0.489 -16.056) 16.063 3.334 ( 0.000 -1.023 -4.601) 4.713 3.373 ( 0.000 -3.241 1.533) 3.585 3.847 ( 0.000 -10.663 -3.432) 11.202 4.121 ( 0.000 -9.462 -4.647) 10.542 4.893 ( 0.000 22.906 1.166) 22.935 5.243 ( 0.000 19.722 2.577) 19.890 5.331 ( 0.000 20.963 3.985) 21.338 5.515 ( 0.000 20.542 -4.639) 21.060 6.787 ( 0.000 10.492 6.795) 12.501 7.224 ( 0.000 2.593 -0.635) 2.670 7.289 ( 0.000 13.803 4.156) 14.415 7.456 ( 0.000 14.664 6.857) 16.188 8.208 ( 0.000 -0.269 7.434) 7.439 8.466 ( 0.000 2.698 0.913) 2.848 8.865 ( 0.000 14.618 0.305) 14.621 8.944 ( 0.000 -7.701 -10.575) 13.082 9.279 ( 0.000 -3.272 -5.679) 6.554 9.627 ( 0.000 -1.308 -1.697) 2.142 9.631 ( 0.000 11.637 -9.984) 15.333 9.783 ( 0.000 -0.395 -6.284) 6.296 9.992 ( 0.000 0.983 -9.290) 9.342 10.210 ( 0.000 -7.875 -8.001) 11.227 10.445 ( 0.000 3.505 -4.779) 5.927 10.658 ( 0.000 1.974 -1.275) 2.350 11.063 ( 0.000 1.205 -1.434) 1.873 11.175 ( 0.000 -8.110 -9.587) 12.557 11.281 ( 0.000 -2.193 -1.515) 2.665 11.520 ( 0.000 -13.129 -1.474) 13.212 12.397 ( 0.000 9.506 5.707) 11.087 12.809 ( 0.000 7.336 5.852) 9.384 13.112 ( 0.000 11.526 5.448) 12.748 13.335 ( 0.000 9.788 0.958) 9.835 13.912 ( 0.000 -0.948 -10.710) 10.752 13.956 ( 0.000 14.878 -1.228) 14.928 14.365 ( 0.000 -3.656 6.441) 7.406 14.711 ( 0.000 -0.984 3.755) 3.882 15.679 ( 0.000 3.220 -3.243) 4.570 16.494 ( 0.000 -1.700 -3.127) 3.559 16.666 ( 0.000 -12.253 -9.844) 15.717 16.871 ( 0.000 -11.182 0.394) 11.189 17.815 ( 0.000 -5.646 13.018) 14.190 18.003 ( 0.000 -5.693 4.075) 7.002 18.473 ( 0.000 -9.775 6.749) 11.879 18.727 ( 0.000 -15.130 -2.777) 15.383 ======================= Grid point 176 (65/120) ======================= q-point: ( 0.25 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 3.687 11.463 -1.824) 12.179 2.494 ( 0.509 11.068 2.054) 11.268 2.692 ( -0.170 8.411 -2.192) 8.693 3.024 ( -9.840 4.643 -4.367) 11.724 3.247 ( 5.421 -4.254 -9.694) 11.894 3.573 ( 2.022 -4.719 -5.676) 7.654 3.813 ( 2.668 -10.165 -1.128) 10.569 4.113 ( -2.054 -9.922 -2.779) 10.506 4.942 ( 4.247 22.638 0.967) 23.053 5.218 ( -4.338 20.136 1.776) 20.674 5.293 ( -0.153 21.669 2.251) 21.786 5.464 ( -4.233 20.663 -4.011) 21.470 6.834 ( 4.164 10.477 6.997) 13.269 7.126 ( -6.980 8.453 4.548) 11.868 7.349 ( 4.878 9.051 1.060) 10.336 7.492 ( 1.123 11.330 4.486) 12.237 8.265 ( 4.735 0.747 7.101) 8.567 8.465 ( -0.712 2.790 2.232) 3.643 8.778 ( -5.533 6.601 -3.962) 9.481 8.860 ( -6.120 2.123 -5.202) 8.308 9.300 ( 3.947 1.273 -6.562) 7.763 9.556 ( -4.594 -0.728 -3.784) 5.997 9.797 ( 8.577 5.889 -10.568) 14.829 9.861 ( 5.205 0.160 -5.310) 7.437 10.010 ( 1.230 2.623 -8.999) 9.454 10.155 ( -4.389 -6.397 -5.662) 9.604 10.508 ( 6.136 2.223 -4.339) 7.837 10.688 ( 1.800 0.176 -3.223) 3.696 11.039 ( -2.360 -2.167 -2.780) 4.242 11.095 ( -5.358 -7.680 -12.353) 15.501 11.316 ( 3.464 -2.091 -0.359) 4.062 11.518 ( -1.614 -10.953 0.247) 11.074 12.420 ( 2.594 10.224 6.415) 12.345 12.721 ( -7.736 10.549 9.104) 15.937 13.119 ( 3.598 6.893 -0.921) 7.830 13.386 ( 0.456 10.040 5.901) 11.655 13.798 ( -4.117 4.129 -8.944) 10.677 13.945 ( -3.916 11.464 -4.331) 12.865 14.429 ( 5.129 -4.665 5.241) 8.691 14.667 ( -3.707 -2.163 3.961) 5.840 15.779 ( 8.426 3.069 -1.526) 9.097 16.322 ( -12.474 -1.035 0.300) 12.520 16.716 ( 4.204 -10.683 -8.938) 14.550 16.887 ( -0.562 -11.098 -2.908) 11.486 17.875 ( 4.624 -5.646 10.581) 12.854 18.010 ( 0.036 -5.138 4.028) 6.529 18.500 ( 2.550 -11.469 6.021) 13.203 18.686 ( -3.494 -15.020 -1.259) 15.472 ======================= Grid point 177 (66/120) ======================= q-point: (-0.50 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( -5.452 8.892 -1.398) 10.524 2.421 ( 5.452 8.892 -1.398) 10.524 2.802 ( -8.710 9.598 -1.065) 13.005 2.802 ( 8.710 9.598 -1.065) 13.005 3.433 ( -9.483 -6.488 -9.204) 14.722 3.433 ( 9.483 -6.488 -9.204) 14.722 3.993 ( -8.466 -9.489 -0.423) 12.724 3.993 ( 8.466 -9.489 -0.423) 12.724 5.072 ( -6.934 21.855 1.187) 22.959 5.072 ( 6.934 21.855 1.187) 22.959 5.355 ( -4.643 21.173 -1.764) 21.748 5.355 ( 4.643 21.173 -1.764) 21.748 6.963 ( -6.956 10.084 6.665) 13.946 6.963 ( 6.956 10.084 6.665) 13.946 7.460 ( -3.893 8.396 1.808) 9.429 7.460 ( 3.893 8.396 1.808) 9.429 8.392 ( -5.627 2.053 5.147) 7.897 8.392 ( 5.627 2.053 5.147) 7.897 8.741 ( -3.050 5.776 -4.397) 7.874 8.741 ( 3.050 5.776 -4.397) 7.874 9.429 ( -6.440 0.560 -5.438) 8.447 9.429 ( 6.440 0.560 -5.438) 8.447 9.917 ( -2.044 3.294 -10.204) 10.916 9.917 ( 2.044 3.294 -10.204) 10.916 10.055 ( -3.567 -0.991 -4.781) 6.047 10.055 ( 3.567 -0.991 -4.781) 6.047 10.668 ( -5.253 -0.195 -3.485) 6.307 10.668 ( 5.253 -0.195 -3.485) 6.307 11.005 ( -1.491 -6.068 -9.725) 11.559 11.005 ( 1.491 -6.068 -9.725) 11.559 11.428 ( -5.646 -5.888 0.716) 8.188 11.428 ( 5.646 -5.888 0.716) 8.188 12.533 ( -7.464 11.290 8.216) 15.833 12.533 ( 7.464 11.290 8.216) 15.833 13.273 ( -8.420 6.193 1.977) 10.638 13.273 ( 8.420 6.193 1.977) 10.638 13.825 ( -5.167 9.273 -6.013) 12.200 13.825 ( 5.167 9.273 -6.013) 12.200 14.558 ( -5.730 -4.039 4.296) 8.222 14.558 ( 5.730 -4.039 4.296) 8.222 16.026 ( -12.905 1.636 0.951) 13.043 16.026 ( 12.905 1.636 0.951) 13.043 16.823 ( -4.585 -10.510 -6.178) 13.025 16.823 ( 4.585 -10.510 -6.178) 13.025 17.975 ( -3.394 -5.059 6.222) 8.707 17.975 ( 3.394 -5.059 6.222) 8.707 18.587 ( -4.799 -14.060 2.633) 15.087 18.587 ( 4.799 -14.060 2.633) 15.087 ======================= Grid point 180 (67/120) ======================= q-point: ( 0.00 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( 0.000 14.301 -5.744) 15.411 2.692 ( 0.000 8.455 0.037) 8.455 2.796 ( 0.000 2.434 -3.999) 4.682 3.124 ( 0.000 1.103 -11.166) 11.221 3.307 ( 0.000 -1.315 -3.313) 3.564 3.314 ( 0.000 -1.401 -0.925) 1.679 3.615 ( 0.000 -12.155 -4.969) 13.131 3.901 ( 0.000 -12.399 -3.836) 12.979 5.285 ( 0.000 16.609 1.491) 16.676 5.539 ( 0.000 10.071 4.229) 10.923 5.698 ( 0.000 15.641 2.831) 15.895 5.845 ( 0.000 12.254 -3.247) 12.677 7.028 ( 0.000 13.215 0.034) 13.215 7.285 ( 0.000 3.579 -2.899) 4.605 7.484 ( 0.000 5.612 -4.047) 6.919 7.652 ( 0.000 4.171 -0.947) 4.278 8.302 ( 0.000 8.752 11.185) 14.202 8.553 ( 0.000 4.171 -3.142) 5.222 8.832 ( 0.000 -1.727 -0.765) 1.888 9.012 ( 0.000 0.811 1.120) 1.383 9.351 ( 0.000 9.474 -5.814) 11.115 9.623 ( 0.000 1.343 5.998) 6.147 9.756 ( 0.000 -0.351 -4.624) 4.637 9.833 ( 0.000 5.984 -7.103) 9.287 9.995 ( 0.000 -0.475 -12.015) 12.025 10.023 ( 0.000 -10.152 -4.464) 11.090 10.570 ( 0.000 8.401 -9.356) 12.574 10.702 ( 0.000 2.623 -0.334) 2.644 11.021 ( 0.000 -6.918 -16.219) 17.633 11.029 ( 0.000 -4.434 0.417) 4.453 11.209 ( 0.000 -4.897 -4.767) 6.834 11.265 ( 0.000 -11.555 -9.964) 15.258 12.601 ( 0.000 10.682 8.289) 13.520 12.927 ( 0.000 3.538 5.132) 6.234 13.307 ( 0.000 8.384 7.561) 11.290 13.494 ( 0.000 6.226 14.024) 15.344 13.863 ( 0.000 -2.607 -8.153) 8.560 14.118 ( 0.000 -0.905 0.868) 1.254 14.365 ( 0.000 5.998 4.936) 7.768 14.687 ( 0.000 -1.798 2.675) 3.223 15.768 ( 0.000 5.954 -4.485) 7.455 16.352 ( 0.000 -11.440 -3.145) 11.864 16.522 ( 0.000 -3.118 -3.323) 4.556 16.670 ( 0.000 -8.847 2.773) 9.271 17.755 ( 0.000 -0.329 9.121) 9.127 17.921 ( 0.000 -2.882 1.453) 3.228 18.306 ( 0.000 -6.830 2.944) 7.438 18.465 ( 0.000 -11.280 -4.506) 12.147 ======================= Grid point 181 (68/120) ======================= q-point: ( 0.25 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 1.185 12.625 -4.661) 13.510 2.676 ( -2.471 7.569 -3.206) 8.584 2.844 ( 4.919 5.761 -2.193) 7.887 3.122 ( -2.666 3.162 -9.168) 10.058 3.180 ( -0.667 0.569 -2.705) 2.844 3.441 ( -2.236 -7.927 -8.314) 11.703 3.602 ( 5.022 -10.590 -0.211) 11.722 3.886 ( -2.193 -12.674 -2.792) 13.162 5.332 ( 4.081 16.645 1.392) 17.195 5.549 ( -0.235 12.360 2.517) 12.616 5.646 ( -2.866 14.272 2.549) 14.779 5.793 ( -4.307 11.976 -2.602) 12.991 7.064 ( 3.139 12.381 0.249) 12.775 7.257 ( -3.122 6.016 -2.266) 7.147 7.499 ( 2.141 4.266 -3.082) 5.682 7.634 ( -1.783 2.251 -2.619) 3.886 8.370 ( 5.407 8.930 10.265) 14.641 8.573 ( 0.649 6.749 0.572) 6.805 8.771 ( -3.012 -0.724 -2.063) 3.721 8.947 ( -5.392 1.774 1.008) 5.766 9.383 ( 2.802 6.814 -5.195) 9.016 9.556 ( -3.873 1.145 -0.557) 4.077 9.813 ( 2.105 -4.033 -0.108) 4.550 9.915 ( 4.356 0.971 -9.330) 10.343 10.013 ( 2.205 -3.129 -4.818) 6.153 10.101 ( 6.052 4.951 -9.637) 12.410 10.579 ( 1.409 4.392 -5.962) 7.538 10.715 ( 1.098 2.731 -3.265) 4.396 10.888 ( -6.484 -8.692 -8.417) 13.727 11.027 ( -3.579 -2.275 -9.432) 10.341 11.218 ( 1.866 -7.673 -6.659) 10.330 11.302 ( 0.929 -9.995 -6.815) 12.133 12.640 ( 3.743 11.474 9.112) 15.123 12.922 ( -2.678 8.473 9.705) 13.159 13.206 ( -2.443 2.743 3.005) 4.746 13.498 ( -5.059 0.651 12.333) 13.346 13.857 ( 3.608 4.282 -6.221) 8.370 14.158 ( -1.630 7.250 -1.698) 7.622 14.340 ( 1.597 -2.608 5.726) 6.491 14.618 ( -5.625 -3.082 2.794) 6.996 15.864 ( 7.819 5.673 -2.363) 9.945 16.297 ( -7.348 -1.590 1.693) 7.706 16.501 ( 2.464 -10.380 -5.079) 11.816 16.676 ( -1.254 -10.119 0.574) 10.213 17.819 ( 5.033 0.002 6.878) 8.523 17.950 ( 1.507 -1.237 0.710) 2.075 18.298 ( -0.101 -8.745 3.103) 9.280 18.424 ( -3.397 -11.417 -3.154) 12.322 ======================= Grid point 182 (69/120) ======================= q-point: (-0.50 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( -3.225 9.525 -4.206) 10.900 2.602 ( 3.225 9.525 -4.206) 10.900 2.988 ( -7.059 8.172 -2.586) 11.104 2.988 ( 7.059 8.172 -2.586) 11.104 3.289 ( -7.567 -6.801 -8.540) 13.283 3.289 ( 7.567 -6.801 -8.540) 13.283 3.778 ( -7.334 -11.913 -0.955) 14.022 3.778 ( 7.334 -11.913 -0.955) 14.022 5.454 ( -6.246 16.541 1.448) 17.740 5.454 ( 6.246 16.541 1.448) 17.740 5.682 ( -4.661 11.424 -0.232) 12.341 5.682 ( 4.661 11.424 -0.232) 12.341 7.158 ( -4.899 9.973 -0.314) 11.116 7.158 ( 4.899 9.973 -0.314) 11.116 7.572 ( -3.525 1.762 -3.474) 5.254 7.572 ( 3.525 1.762 -3.474) 5.254 8.506 ( -5.871 8.793 7.024) 12.693 8.506 ( 5.871 8.793 7.024) 12.693 8.809 ( -5.663 1.333 -1.518) 6.013 8.809 ( 5.663 1.333 -1.518) 6.013 9.466 ( -4.168 3.125 -3.822) 6.461 9.466 ( 4.168 3.125 -3.822) 6.461 9.878 ( -3.538 -6.601 -2.736) 7.974 9.878 ( 3.538 -6.601 -2.736) 7.974 10.140 ( -3.529 8.834 -9.763) 13.631 10.140 ( 3.529 8.834 -9.763) 13.631 10.660 ( -5.408 -2.254 -1.976) 6.183 10.660 ( 5.408 -2.254 -1.976) 6.183 10.894 ( -6.486 -2.952 -11.265) 13.330 10.894 ( 6.486 -2.952 -11.265) 13.330 11.277 ( -2.646 -8.961 -6.496) 11.380 11.277 ( 2.646 -8.961 -6.496) 11.380 12.775 ( -7.858 12.586 10.923) 18.425 12.775 ( 7.858 12.586 10.923) 18.425 13.306 ( -9.048 -2.320 4.439) 10.342 13.306 ( 9.048 -2.320 4.439) 10.342 14.013 ( -8.439 9.499 -1.683) 12.817 14.013 ( 8.439 9.499 -1.683) 12.817 14.466 ( -7.249 -5.291 3.559) 9.654 14.466 ( 7.249 -5.291 3.559) 9.654 16.079 ( -10.575 3.981 1.014) 11.345 16.079 ( 10.575 3.981 1.014) 11.345 16.601 ( -4.837 -11.705 -2.248) 12.863 16.601 ( 4.837 -11.705 -2.248) 12.863 17.931 ( -3.682 0.616 2.524) 4.506 17.931 ( 3.682 0.616 2.524) 4.506 18.336 ( -3.594 -11.380 0.550) 11.946 18.336 ( 3.594 -11.380 0.550) 11.946 ======================= Grid point 185 (70/120) ======================= q-point: ( 0.00 0.47 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( 0.000 2.524 -4.552) 5.205 2.803 ( 0.000 5.305 -5.135) 7.383 2.842 ( 0.000 8.756 -7.257) 11.373 3.062 ( 0.000 -8.266 -6.200) 10.333 3.303 ( 0.000 1.452 -1.313) 1.957 3.369 ( 0.000 -0.352 2.600) 2.624 3.434 ( 0.000 2.040 -10.069) 10.274 3.646 ( 0.000 -12.947 -4.456) 13.693 5.543 ( 0.000 9.201 2.904) 9.648 5.637 ( 0.000 -0.102 4.285) 4.286 5.933 ( 0.000 7.647 0.838) 7.693 5.989 ( 0.000 2.160 -1.241) 2.491 7.270 ( 0.000 9.665 -4.903) 10.838 7.346 ( 0.000 1.385 -4.963) 5.153 7.545 ( 0.000 2.167 -8.260) 8.540 7.627 ( 0.000 -5.099 -8.419) 9.843 8.480 ( 0.000 7.512 7.381) 10.531 8.572 ( 0.000 -1.949 -1.458) 2.434 8.893 ( 0.000 5.642 8.883) 10.523 8.984 ( 0.000 -3.068 5.488) 6.288 9.553 ( 0.000 10.171 -6.159) 11.890 9.678 ( 0.000 3.765 9.296) 10.030 9.717 ( 0.000 -4.000 0.708) 4.063 9.789 ( 0.000 -9.187 -5.189) 10.551 9.950 ( 0.000 2.370 -7.123) 7.507 9.981 ( 0.000 -0.910 -13.249) 13.280 10.745 ( 0.000 8.176 -12.259) 14.736 10.766 ( 0.000 3.935 1.611) 4.252 10.902 ( 0.000 -6.938 1.012) 7.011 10.904 ( 0.000 -5.349 -19.045) 19.782 11.111 ( 0.000 -3.645 -14.402) 14.856 11.114 ( 0.000 -3.539 -8.694) 9.387 12.799 ( 0.000 8.741 7.508) 11.523 12.926 ( 0.000 -3.604 5.443) 6.528 13.452 ( 0.000 6.323 11.006) 12.693 13.544 ( 0.000 -1.941 17.283) 17.392 13.876 ( 0.000 4.800 -4.034) 6.270 14.011 ( 0.000 -7.452 2.276) 7.792 14.516 ( 0.000 7.238 2.423) 7.633 14.629 ( 0.000 -4.188 2.265) 4.761 15.917 ( 0.000 9.098 -4.964) 10.364 16.122 ( 0.000 -11.296 -4.858) 12.297 16.488 ( 0.000 -0.074 2.717) 2.718 16.533 ( 0.000 -4.744 3.952) 6.174 17.792 ( 0.000 3.482 5.380) 6.408 17.865 ( 0.000 -3.344 2.436) 4.137 18.226 ( 0.000 -0.581 -1.544) 1.649 18.287 ( 0.000 -6.401 -4.484) 7.815 ======================= Grid point 186 (71/120) ======================= q-point: ( 0.25 0.47 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 0.132 7.341 -4.983) 8.873 2.832 ( -0.743 8.323 -7.017) 10.912 2.880 ( 4.291 0.325 -6.017) 7.398 3.062 ( -0.780 -8.110 -6.852) 10.646 3.290 ( -1.336 4.016 -0.330) 4.245 3.387 ( -2.238 7.634 -6.298) 10.147 3.412 ( 3.471 -7.783 -1.095) 8.592 3.625 ( -2.280 -13.327 -3.509) 13.969 5.590 ( 4.127 9.118 2.407) 10.293 5.678 ( 3.508 0.692 3.143) 4.761 5.866 ( -5.353 7.638 0.921) 9.373 5.928 ( -4.950 1.711 -0.798) 5.298 7.297 ( 2.325 9.961 -4.780) 11.291 7.367 ( 1.251 3.769 -5.656) 6.911 7.520 ( -1.566 -0.421 -6.897) 7.085 7.588 ( -2.958 -5.608 -8.018) 10.222 8.549 ( 5.452 7.520 6.902) 11.573 8.637 ( 5.292 -1.181 -0.517) 5.446 8.834 ( -4.747 6.126 7.718) 10.938 8.932 ( -4.589 -3.014 4.776) 7.277 9.536 ( -0.309 8.301 -4.244) 9.328 9.614 ( -2.920 4.678 0.593) 5.546 9.701 ( -0.716 -6.662 0.290) 6.707 9.769 ( -1.960 -9.455 -2.171) 9.897 10.104 ( 12.034 6.171 -8.117) 15.773 10.168 ( 11.795 0.490 -7.562) 14.020 10.645 ( -6.479 2.463 -5.192) 8.660 10.722 ( -8.575 -5.468 -4.911) 11.294 10.836 ( 2.861 7.184 -10.354) 12.922 10.987 ( 2.327 -4.623 -9.778) 11.063 11.068 ( -2.229 -2.785 -11.847) 12.372 11.138 ( -0.252 -6.725 -10.093) 12.131 12.853 ( 4.930 9.440 8.227) 13.457 12.985 ( 5.142 -2.829 6.685) 8.896 13.291 ( -10.512 6.642 10.211) 16.090 13.430 ( -9.571 -6.264 12.082) 16.638 13.982 ( 8.338 7.625 -0.239) 11.301 14.131 ( 8.267 -6.677 1.992) 10.812 14.416 ( -7.963 6.971 1.979) 10.766 14.538 ( -7.341 -5.094 1.975) 9.151 16.007 ( 7.168 8.781 -2.720) 11.657 16.197 ( 5.680 -9.346 -2.570) 11.234 16.398 ( -6.455 1.462 2.399) 7.040 16.497 ( -3.821 -7.578 2.782) 8.931 17.863 ( 5.708 3.818 3.734) 7.817 17.931 ( 5.074 -1.940 1.010) 5.525 18.181 ( -3.704 -1.809 -0.668) 4.176 18.240 ( -4.021 -6.856 -3.495) 8.683 ======================= Grid point 187 (72/120) ======================= q-point: (-0.50 0.47 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( -1.866 10.258 -6.204) 12.132 2.799 ( 1.866 10.258 -6.204) 12.133 2.992 ( -5.097 -8.051 -6.847) 11.734 2.992 ( 5.097 -8.051 -6.847) 11.734 3.309 ( -3.179 9.323 -3.159) 10.344 3.309 ( 3.179 9.323 -3.159) 10.344 3.535 ( -5.508 -12.366 -1.696) 13.643 3.535 ( 5.508 -12.366 -1.696) 13.643 5.712 ( -5.780 9.149 1.361) 10.907 5.712 ( 5.780 9.149 1.361) 10.907 5.800 ( -5.196 0.557 0.938) 5.309 5.800 ( 5.196 0.557 0.938) 5.309 7.357 ( -2.346 9.805 -5.419) 11.446 7.357 ( 2.346 9.805 -5.419) 11.446 7.523 ( -2.193 -6.166 -6.745) 9.399 7.523 ( 2.193 -6.166 -6.745) 9.399 8.687 ( -5.896 8.139 6.081) 11.747 8.687 ( 5.896 8.139 6.081) 11.747 8.797 ( -6.345 -2.833 2.702) 7.456 8.797 ( 6.345 -2.833 2.702) 7.456 9.559 ( -2.046 6.545 -2.298) 7.232 9.559 ( 2.046 6.545 -2.298) 7.232 9.717 ( -2.077 -8.801 -1.100) 9.110 9.717 ( 2.077 -8.801 -1.100) 9.110 10.340 ( -3.618 10.577 -7.891) 13.683 10.340 ( 3.618 10.577 -7.891) 13.683 10.539 ( -3.376 -8.984 -4.075) 10.426 10.539 ( 3.376 -8.984 -4.075) 10.426 10.935 ( -5.286 6.077 -11.222) 13.813 10.935 ( 5.286 6.077 -11.222) 13.813 11.093 ( -3.176 -9.188 -10.053) 13.985 11.093 ( 3.176 -9.188 -10.053) 13.985 13.012 ( -8.042 11.099 10.213) 17.093 13.012 ( 8.042 11.099 10.213) 17.093 13.202 ( -8.416 -7.785 7.691) 13.806 13.202 ( 8.416 -7.785 7.691) 13.806 14.192 ( -9.383 8.498 0.721) 12.680 14.192 ( 9.383 8.498 0.721) 12.680 14.346 ( -8.688 -6.927 2.365) 11.360 14.346 ( 8.688 -6.927 2.365) 11.360 16.192 ( -8.137 7.549 1.048) 11.149 16.192 ( 8.137 7.549 1.048) 11.149 16.375 ( -6.143 -10.738 0.226) 12.373 16.375 ( 6.143 -10.738 0.226) 12.373 17.993 ( -3.466 5.427 0.133) 6.441 17.993 ( 3.466 5.427 0.133) 6.441 18.136 ( -3.247 -8.805 -0.403) 9.394 18.136 ( 3.247 -8.805 -0.403) 9.394 ======================= Grid point 225 (73/120) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 0.000 0.000 16.781) 16.781 1.857 ( 0.000 0.000 4.101) 4.101 1.916 ( 0.000 0.000 23.252) 23.252 2.127 ( 0.000 0.000 8.375) 8.375 2.466 ( 0.000 0.000 1.571) 1.571 2.653 ( 0.000 0.000 -3.271) 3.271 2.946 ( 0.000 0.000 27.360) 27.360 3.062 ( 0.000 0.000 2.572) 2.572 3.637 ( 0.000 0.000 -13.067) 13.067 3.774 ( 0.000 0.000 -14.433) 14.433 4.834 ( 0.000 0.000 0.609) 0.609 5.033 ( 0.000 0.000 5.598) 5.598 6.081 ( 0.000 0.000 1.780) 1.780 6.110 ( 0.000 0.000 1.245) 1.245 6.851 ( 0.000 0.000 8.124) 8.124 7.605 ( 0.000 0.000 3.228) 3.228 7.695 ( 0.000 0.000 -0.734) 0.734 7.770 ( 0.000 0.000 -1.497) 1.497 8.463 ( 0.000 0.000 15.496) 15.496 8.661 ( 0.000 0.000 5.047) 5.047 8.676 ( 0.000 0.000 4.689) 4.689 8.699 ( 0.000 0.000 -2.495) 2.495 10.012 ( 0.000 0.000 3.062) 3.062 10.029 ( 0.000 0.000 -11.218) 11.218 10.073 ( 0.000 0.000 -11.622) 11.622 10.158 ( 0.000 0.000 -6.382) 6.382 10.294 ( 0.000 0.000 -3.422) 3.422 10.424 ( 0.000 0.000 -8.825) 8.825 10.750 ( 0.000 0.000 -5.837) 5.837 11.277 ( 0.000 0.000 -7.502) 7.502 11.355 ( 0.000 0.000 3.123) 3.123 11.543 ( 0.000 0.000 -2.392) 2.392 11.870 ( 0.000 0.000 5.447) 5.447 11.958 ( 0.000 0.000 2.535) 2.535 12.287 ( 0.000 0.000 -0.474) 0.474 12.423 ( 0.000 0.000 -0.535) 0.535 12.623 ( 0.000 0.000 -1.643) 1.643 12.772 ( 0.000 0.000 -15.494) 15.494 14.487 ( 0.000 0.000 1.131) 1.131 14.492 ( 0.000 0.000 1.202) 1.202 15.913 ( 0.000 0.000 7.854) 7.854 16.229 ( 0.000 0.000 -4.899) 4.899 17.342 ( 0.000 0.000 -10.798) 10.798 17.460 ( 0.000 0.000 -10.445) 10.445 18.793 ( 0.000 0.000 9.914) 9.914 18.877 ( 0.000 0.000 6.711) 6.711 20.363 ( 0.000 0.000 3.834) 3.834 20.585 ( 0.000 0.000 -4.125) 4.125 ======================= Grid point 226 (74/120) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 3.953 0.000 14.988) 15.501 1.807 ( -4.124 0.000 6.237) 7.478 1.896 ( -0.018 0.000 23.113) 23.113 2.089 ( -3.886 0.000 11.958) 12.573 2.499 ( 2.641 0.000 0.399) 2.671 2.629 ( -2.038 0.000 -2.846) 3.501 2.955 ( -4.561 0.000 -4.038) 6.091 2.982 ( 0.937 0.000 11.296) 11.335 3.853 ( 13.403 0.000 -3.329) 13.810 3.894 ( 11.630 0.000 -3.048) 12.023 4.730 ( -8.497 0.000 -1.043) 8.560 4.850 ( -14.226 0.000 4.298) 14.861 6.085 ( 0.358 0.000 1.704) 1.741 6.105 ( -0.365 0.000 1.326) 1.376 6.957 ( 8.846 0.000 7.085) 11.334 7.524 ( -12.974 0.000 -0.153) 12.975 7.628 ( 1.958 0.000 2.601) 3.256 7.744 ( -2.127 0.000 -0.728) 2.248 8.532 ( 7.662 0.000 10.822) 13.260 8.664 ( 0.248 0.000 4.942) 4.949 8.675 ( -0.124 0.000 4.697) 4.698 8.819 ( 3.587 0.000 0.027) 3.587 9.865 ( -0.407 0.000 2.478) 2.511 10.036 ( 0.528 0.000 -11.262) 11.275 10.067 ( -0.559 0.000 -11.549) 11.562 10.200 ( -7.109 0.000 -1.831) 7.341 10.447 ( 8.646 0.000 -10.645) 13.714 10.520 ( 10.469 0.000 -9.813) 14.349 10.885 ( 10.472 0.000 -3.839) 11.153 11.237 ( -2.513 0.000 -7.058) 7.492 11.380 ( 2.116 0.000 2.489) 3.267 11.511 ( -2.606 0.000 -1.222) 2.878 11.888 ( 1.395 0.000 4.624) 4.830 11.948 ( -0.824 0.000 2.750) 2.871 12.004 ( -15.401 0.000 0.040) 15.402 12.198 ( -15.651 0.000 -7.314) 17.275 12.792 ( 8.436 0.000 -3.085) 8.982 12.879 ( 4.868 0.000 -8.599) 9.881 14.495 ( 2.017 0.000 1.927) 2.790 14.549 ( 2.278 0.000 0.565) 2.347 15.951 ( 3.653 0.000 5.302) 6.438 16.191 ( -3.601 0.000 -4.030) 5.404 17.308 ( -1.924 0.000 -8.565) 8.779 17.398 ( -4.639 0.000 -9.121) 10.233 18.832 ( 3.242 0.000 9.636) 10.167 18.912 ( 1.758 0.000 7.388) 7.594 20.353 ( 0.292 0.000 2.802) 2.817 20.533 ( -4.463 0.000 -2.860) 5.300 ======================= Grid point 227 (75/120) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -5.572 0.000 10.741) 12.100 1.693 ( 5.572 0.000 10.741) 12.100 1.964 ( -5.736 0.000 18.754) 19.612 1.964 ( 5.736 0.000 18.754) 19.612 2.568 ( -3.193 0.000 -1.551) 3.549 2.568 ( 3.193 0.000 -1.551) 3.549 2.947 ( -2.694 0.000 -5.256) 5.906 2.947 ( 2.694 0.000 -5.256) 5.906 4.094 ( -2.440 0.000 9.430) 9.741 4.094 ( 2.440 0.000 9.430) 9.741 4.584 ( -2.564 0.000 -4.040) 4.785 4.584 ( 2.564 0.000 -4.040) 4.785 6.095 ( -0.511 0.000 1.518) 1.602 6.095 ( 0.511 0.000 1.518) 1.602 7.214 ( -13.424 0.000 3.619) 13.903 7.214 ( 13.424 0.000 3.619) 13.903 7.685 ( -2.879 0.000 1.007) 3.050 7.685 ( 2.879 0.000 1.007) 3.050 8.670 ( -0.257 0.000 4.772) 4.779 8.670 ( 0.257 0.000 4.772) 4.779 8.741 ( -8.768 0.000 4.189) 9.718 8.741 ( 8.768 0.000 4.189) 9.718 10.005 ( -9.602 0.000 1.657) 9.744 10.005 ( 9.602 0.000 1.657) 9.744 10.051 ( -0.769 0.000 -11.391) 11.417 10.051 ( 0.769 0.000 -11.391) 11.417 10.595 ( -4.652 0.000 -13.121) 13.922 10.595 ( 4.652 0.000 -13.121) 13.922 11.139 ( -9.254 0.000 -3.398) 9.858 11.139 ( 9.254 0.000 -3.398) 9.858 11.442 ( -3.220 0.000 0.843) 3.329 11.442 ( 3.220 0.000 0.843) 3.329 11.884 ( -7.907 0.000 -6.335) 10.132 11.884 ( 7.907 0.000 -6.335) 10.132 11.922 ( -1.453 0.000 3.442) 3.737 11.922 ( 1.453 0.000 3.442) 3.737 12.913 ( -2.083 0.000 -4.856) 5.284 12.913 ( 2.083 0.000 -4.856) 5.284 14.551 ( -2.031 0.000 1.478) 2.511 14.551 ( 2.031 0.000 1.478) 2.511 16.072 ( -6.363 0.000 -0.257) 6.368 16.072 ( 6.363 0.000 -0.257) 6.368 17.307 ( -2.402 0.000 -7.257) 7.644 17.307 ( 2.402 0.000 -7.257) 7.644 18.906 ( -2.439 0.000 8.903) 9.231 18.906 ( 2.439 0.000 8.903) 9.231 20.415 ( -4.992 0.000 -0.110) 4.994 20.415 ( 4.992 0.000 -0.110) 4.994 ======================= Grid point 230 (76/120) ======================= q-point: ( 0.00 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 0.000 23.313 17.140) 28.935 1.921 ( 0.000 1.270 21.829) 21.866 2.173 ( 0.000 4.372 7.802) 8.943 2.175 ( 0.000 28.600 3.543) 28.819 2.635 ( 0.000 15.483 1.652) 15.570 2.845 ( 0.000 15.196 -4.249) 15.779 2.970 ( 0.000 3.970 23.224) 23.561 3.068 ( 0.000 3.172 1.679) 3.589 3.609 ( 0.000 -1.358 -12.970) 13.041 3.787 ( 0.000 1.578 -13.777) 13.867 4.814 ( 0.000 -1.874 0.420) 1.921 4.946 ( 0.000 -7.567 4.641) 8.877 6.218 ( 0.000 10.101 3.871) 10.817 6.221 ( 0.000 13.061 3.702) 13.575 6.870 ( 0.000 2.413 9.449) 9.752 7.534 ( 0.000 -8.725 1.718) 8.892 7.943 ( 0.000 27.608 -3.427) 27.820 8.070 ( 0.000 21.651 -3.300) 21.902 8.359 ( 0.000 -3.063 12.248) 12.625 8.608 ( 0.000 1.364 -4.959) 5.143 8.797 ( 0.000 6.844 8.469) 10.888 8.931 ( 0.000 12.470 6.783) 14.196 9.747 ( 0.000 -13.102 -7.490) 15.092 9.775 ( 0.000 -12.516 -10.895) 16.593 10.143 ( 0.000 -4.690 -10.371) 11.382 10.288 ( 0.000 8.460 -2.581) 8.845 10.403 ( 0.000 -4.370 -12.489) 13.231 10.562 ( 0.000 9.761 -2.499) 10.076 10.636 ( 0.000 -5.305 -0.572) 5.335 10.953 ( 0.000 -6.999 -3.675) 7.905 11.598 ( 0.000 8.119 2.679) 8.550 11.674 ( 0.000 10.505 -3.570) 11.095 11.882 ( 0.000 1.664 5.848) 6.081 11.974 ( 0.000 1.845 2.015) 2.732 12.401 ( 0.000 10.291 -2.292) 10.543 12.422 ( 0.000 0.042 0.050) 0.065 12.674 ( 0.000 5.499 -2.006) 5.854 12.783 ( 0.000 1.715 -18.009) 18.090 14.512 ( 0.000 2.174 1.868) 2.866 14.567 ( 0.000 6.584 0.422) 6.597 15.888 ( 0.000 -2.490 7.978) 8.358 16.231 ( 0.000 0.239 -5.171) 5.177 17.299 ( 0.000 -4.323 -10.697) 11.537 17.423 ( 0.000 -3.698 -10.481) 11.114 18.744 ( 0.000 -4.778 10.009) 11.091 18.829 ( 0.000 -4.648 6.576) 8.053 20.238 ( 0.000 -12.213 3.415) 12.681 20.367 ( 0.000 -20.539 0.314) 20.542 ======================= Grid point 231 (77/120) ======================= q-point: ( 0.25 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 1.466 14.315 18.444) 23.394 1.927 ( 2.036 10.382 17.277) 20.259 2.054 ( -5.874 13.545 8.347) 16.960 2.182 ( -4.056 16.829 8.333) 19.212 2.678 ( 3.899 16.296 0.157) 16.756 2.826 ( -1.451 16.150 -3.548) 16.599 2.978 ( -2.530 4.944 -2.126) 5.947 3.022 ( 0.585 5.444 8.436) 10.057 3.807 ( 12.986 -3.490 -4.968) 14.336 3.900 ( 10.504 0.891 -3.458) 11.095 4.695 ( -9.745 -3.608 0.133) 10.392 4.788 ( -12.250 -4.973 2.262) 13.413 6.215 ( -0.313 12.141 3.908) 12.759 6.216 ( -0.151 10.341 3.877) 11.044 6.977 ( 8.649 2.360 7.392) 11.620 7.456 ( -7.967 -4.670 0.379) 9.243 7.891 ( -1.645 18.029 0.289) 18.106 8.002 ( -3.334 25.033 0.573) 25.260 8.476 ( 6.158 1.381 6.057) 8.747 8.579 ( -0.856 -2.510 1.317) 2.961 8.836 ( 2.567 8.555 6.282) 10.920 8.984 ( 1.223 9.575 2.738) 10.034 9.711 ( 0.671 -8.905 -5.991) 10.754 9.792 ( 0.182 -12.891 -11.726) 17.428 10.150 ( 2.895 0.971 -8.537) 9.067 10.374 ( -0.186 1.357 -2.380) 2.746 10.465 ( 4.695 -1.787 -9.501) 10.748 10.517 ( 0.425 4.418 -6.088) 7.534 10.749 ( 7.056 -7.548 -2.185) 10.561 10.934 ( -1.556 -9.954 -2.926) 10.492 11.570 ( -0.596 6.257 1.966) 6.585 11.715 ( 2.584 14.909 -3.099) 15.446 11.889 ( 0.915 1.599 4.302) 4.679 11.969 ( -0.210 2.722 1.960) 3.361 12.129 ( -14.823 6.209 -0.683) 16.085 12.266 ( -12.009 10.540 -9.088) 18.382 12.815 ( 7.195 2.630 -3.382) 8.374 12.881 ( 4.608 0.538 -9.827) 10.867 14.532 ( 2.285 3.111 2.284) 4.485 14.606 ( 1.704 5.259 0.534) 5.554 15.934 ( 4.315 -1.648 5.547) 7.219 16.193 ( -3.648 0.240 -4.132) 5.517 17.264 ( -1.942 -4.378 -8.546) 9.796 17.360 ( -4.749 -3.790 -9.280) 11.092 18.781 ( 3.050 -4.970 9.644) 11.270 18.860 ( 1.492 -5.088 7.292) 9.016 20.217 ( -0.327 -13.445 2.944) 13.767 20.345 ( -2.556 -17.659 -0.043) 17.843 ======================= Grid point 232 (78/120) ======================= q-point: (-0.50 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -5.145 9.316 14.465) 17.958 1.908 ( 5.145 9.316 14.465) 17.958 2.044 ( -6.293 16.727 12.115) 21.590 2.044 ( 6.293 16.727 12.115) 21.590 2.773 ( -3.580 18.729 -1.151) 19.103 2.773 ( 3.580 18.729 -1.151) 19.103 2.986 ( -2.872 4.974 -5.174) 7.730 2.986 ( 2.872 4.974 -5.174) 7.730 4.061 ( -4.304 -2.773 7.347) 8.955 4.061 ( 4.304 -2.773 7.347) 8.955 4.545 ( -3.735 -3.419 -3.914) 6.400 4.545 ( 3.735 -3.419 -3.914) 6.400 6.213 ( -0.093 11.019 3.949) 11.705 6.213 ( 0.093 11.019 3.949) 11.705 7.215 ( -11.787 0.519 3.028) 12.180 7.215 ( 11.787 0.519 3.028) 12.180 7.923 ( -3.395 19.933 2.175) 20.337 7.923 ( 3.395 19.933 2.175) 20.337 8.564 ( -1.586 -1.520 3.143) 3.835 8.564 ( 1.586 -1.520 3.143) 3.835 8.923 ( -4.914 8.759 3.320) 10.579 8.923 ( 4.914 8.759 3.320) 10.579 9.770 ( -2.454 -10.674 -9.196) 14.301 9.770 ( 2.454 -10.674 -9.196) 14.301 10.274 ( -6.793 6.870 -2.583) 10.001 10.274 ( 6.793 6.870 -2.583) 10.001 10.531 ( -2.180 -4.374 -9.996) 11.127 10.531 ( 2.180 -4.374 -9.996) 11.127 10.877 ( -3.955 -12.281 -1.312) 12.968 10.877 ( 3.955 -12.281 -1.312) 12.968 11.665 ( -8.080 8.841 0.540) 11.990 11.665 ( 8.080 8.841 0.540) 11.990 11.925 ( -2.650 3.346 -0.757) 4.335 11.925 ( 2.650 3.346 -0.757) 4.335 12.024 ( -7.403 12.945 -5.556) 15.914 12.024 ( 7.403 12.945 -5.556) 15.914 12.918 ( -1.580 0.717 -5.329) 5.605 12.918 ( 1.580 0.717 -5.329) 5.605 14.596 ( -2.481 4.015 1.786) 5.047 14.596 ( 2.481 4.015 1.786) 5.047 16.069 ( -6.803 -0.295 0.011) 6.810 16.069 ( 6.803 -0.295 0.011) 6.810 17.265 ( -2.579 -4.163 -7.458) 8.922 17.265 ( 2.579 -4.163 -7.458) 8.922 18.851 ( -2.371 -5.344 8.827) 10.587 18.851 ( 2.371 -5.344 8.827) 10.587 20.262 ( -3.909 -14.750 0.906) 15.286 20.262 ( 3.909 -14.750 0.906) 15.286 ======================= Grid point 235 (79/120) ======================= q-point: ( 0.00 0.13 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 0.000 5.565 18.176) 19.008 2.188 ( 0.000 8.818 22.393) 24.066 2.291 ( 0.000 8.332 6.069) 10.308 2.804 ( 0.000 28.286 2.499) 28.396 2.945 ( 0.000 1.087 -4.589) 4.717 2.966 ( 0.000 14.530 0.276) 14.532 3.221 ( 0.000 23.461 8.849) 25.075 3.428 ( 0.000 27.608 -3.218) 27.795 3.668 ( 0.000 9.436 -10.119) 13.836 3.859 ( 0.000 6.784 -11.409) 13.273 4.767 ( 0.000 -2.437 0.231) 2.448 4.786 ( 0.000 -7.432 3.082) 8.045 6.463 ( 0.000 13.481 9.271) 16.361 6.546 ( 0.000 18.741 7.034) 20.018 6.952 ( 0.000 5.556 10.771) 12.119 7.377 ( 0.000 -6.775 3.410) 7.585 8.187 ( 0.000 1.552 8.779) 8.915 8.488 ( 0.000 16.748 -10.556) 19.797 8.687 ( 0.000 22.376 -11.185) 25.016 8.745 ( 0.000 12.314 -1.526) 12.409 8.827 ( 0.000 1.606 10.825) 10.944 9.023 ( 0.000 -5.029 7.639) 9.146 9.605 ( 0.000 -1.195 -11.636) 11.697 9.647 ( 0.000 -0.626 -12.924) 12.939 9.928 ( 0.000 -16.529 -8.690) 18.674 10.216 ( 0.000 -9.868 -13.541) 16.755 10.372 ( 0.000 1.435 -3.819) 4.080 10.501 ( 0.000 -3.766 -0.621) 3.817 10.703 ( 0.000 8.692 4.857) 9.957 11.155 ( 0.000 12.712 -8.164) 15.107 11.670 ( 0.000 -0.512 8.959) 8.974 11.868 ( 0.000 7.511 -3.834) 8.433 12.008 ( 0.000 13.458 0.226) 13.460 12.036 ( 0.000 4.328 2.063) 4.795 12.446 ( 0.000 3.566 0.852) 3.667 12.599 ( 0.000 7.767 5.040) 9.259 12.858 ( 0.000 13.306 -2.498) 13.538 12.899 ( 0.000 11.619 -25.322) 27.861 14.556 ( 0.000 1.817 3.257) 3.729 14.701 ( 0.000 5.802 -0.927) 5.876 15.821 ( 0.000 -4.041 8.012) 8.974 16.241 ( 0.000 0.823 -5.947) 6.004 17.173 ( 0.000 -8.309 -10.254) 13.198 17.317 ( 0.000 -6.858 -10.381) 12.442 18.614 ( 0.000 -8.072 10.311) 13.095 18.703 ( 0.000 -7.790 6.400) 10.082 19.861 ( 0.000 -28.362 7.164) 29.253 19.909 ( 0.000 -20.174 2.266) 20.300 ======================= Grid point 236 (80/120) ======================= q-point: ( 0.25 0.13 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -0.832 5.191 17.855) 18.613 2.195 ( -7.614 6.657 7.671) 12.694 2.299 ( 6.918 12.853 16.326) 21.899 2.642 ( -9.258 16.559 2.271) 19.107 2.994 ( 6.025 14.711 -3.173) 16.211 3.116 ( 5.974 18.644 0.045) 19.578 3.272 ( 1.382 22.417 3.741) 22.769 3.357 ( -3.335 25.302 -4.332) 25.886 3.801 ( 9.181 6.428 -6.209) 12.813 3.951 ( 8.583 5.156 -4.712) 11.066 4.596 ( -11.571 -5.443 1.653) 12.894 4.699 ( -8.984 -3.593 -0.844) 9.713 6.467 ( 0.432 13.880 9.203) 16.659 6.516 ( -1.831 17.087 8.275) 19.074 7.057 ( 7.837 5.689 7.459) 12.223 7.369 ( -2.168 -3.860 2.379) 5.026 8.108 ( -1.556 5.993 5.579) 8.335 8.464 ( -10.496 5.543 0.515) 11.881 8.627 ( 4.801 21.772 -2.399) 22.423 8.777 ( -0.080 17.060 -3.914) 17.503 8.889 ( 3.953 -0.262 5.125) 6.478 9.034 ( -0.438 -5.286 1.405) 5.487 9.626 ( 1.856 -0.037 -10.891) 11.048 9.652 ( 0.368 -1.066 -12.922) 12.971 9.987 ( 5.129 -14.091 -8.206) 17.094 10.220 ( -1.359 -11.639 -9.016) 14.785 10.421 ( 5.783 0.367 -0.612) 5.827 10.592 ( 6.307 1.136 -4.446) 7.800 10.721 ( 0.648 4.927 0.327) 4.980 11.011 ( -10.847 9.551 -5.628) 15.510 11.618 ( -1.334 -0.235 6.925) 7.057 11.935 ( 2.729 4.064 0.104) 4.897 11.973 ( -3.113 7.183 2.903) 8.349 12.136 ( 8.463 15.794 -3.983) 18.355 12.207 ( -13.283 4.930 -2.152) 14.331 12.577 ( -6.192 16.897 -1.860) 18.091 12.904 ( 4.044 6.880 -7.545) 10.982 12.946 ( 2.287 7.596 -12.057) 14.433 14.593 ( 3.256 2.537 3.236) 5.244 14.716 ( 0.259 4.784 0.152) 4.794 15.888 ( 5.973 -2.813 5.978) 8.907 16.202 ( -3.859 0.791 -4.339) 5.861 17.137 ( -1.856 -8.276 -8.427) 11.957 17.253 ( -4.971 -6.864 -9.644) 12.838 18.646 ( 2.628 -8.283 9.716) 13.035 18.722 ( 0.783 -8.520 7.154) 11.153 19.837 ( -0.019 -24.133 5.011) 24.647 19.924 ( -0.473 -22.821 2.291) 22.941 ======================= Grid point 237 (81/120) ======================= q-point: (-0.50 0.13 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -6.995 5.629 12.407) 15.315 2.011 ( 6.995 5.629 12.407) 15.315 2.458 ( -7.315 15.584 8.168) 19.055 2.458 ( 7.315 15.584 8.168) 19.055 3.136 ( -5.113 16.059 -2.670) 17.064 3.136 ( 5.113 16.059 -2.670) 17.064 3.293 ( -3.422 26.687 -3.032) 27.076 3.293 ( 3.422 26.687 -3.032) 27.076 4.037 ( -7.593 2.530 3.046) 8.563 4.037 ( 7.593 2.530 3.046) 8.563 4.470 ( -6.554 -3.671 -3.807) 8.422 4.470 ( 6.554 -3.671 -3.807) 8.422 6.483 ( -1.038 15.158 9.042) 17.680 6.483 ( 1.038 15.158 9.042) 17.680 7.246 ( -8.035 2.636 3.050) 8.989 7.246 ( 8.035 2.636 3.050) 8.989 8.212 ( -9.735 6.582 5.505) 12.976 8.212 ( 9.735 6.582 5.505) 12.976 8.733 ( -3.696 14.885 -0.757) 15.356 8.733 ( 3.696 14.885 -0.757) 15.356 8.980 ( -3.781 -0.952 -0.363) 3.916 8.980 ( 3.781 -0.952 -0.363) 3.916 9.656 ( -0.390 -1.016 -12.164) 12.213 9.656 ( 0.390 -1.016 -12.164) 12.213 10.130 ( -6.243 -13.210 -5.121) 15.482 10.130 ( 6.243 -13.210 -5.121) 15.482 10.613 ( -8.479 5.557 -1.730) 10.284 10.613 ( 8.479 5.557 -1.730) 10.284 10.772 ( -8.096 1.446 -5.061) 9.657 10.772 ( 8.096 1.446 -5.061) 9.657 11.742 ( -11.879 1.081 4.295) 12.678 11.742 ( 11.879 1.081 4.295) 12.678 12.025 ( -3.938 7.094 -0.696) 8.144 12.025 ( 3.938 7.094 -0.696) 8.144 12.372 ( -10.904 19.403 -7.013) 23.336 12.372 ( 10.904 19.403 -7.013) 23.336 12.966 ( -0.900 5.013 -7.082) 8.723 12.966 ( 0.900 5.013 -7.082) 8.723 14.678 ( -3.486 3.543 2.233) 5.449 14.678 ( 3.486 3.543 2.233) 5.449 16.061 ( -8.191 -0.500 0.775) 8.243 16.061 ( 8.191 -0.500 0.775) 8.243 17.148 ( -3.193 -7.510 -8.078) 11.482 17.148 ( 3.193 -7.510 -8.078) 11.482 18.707 ( -2.151 -8.842 8.660) 12.562 18.707 ( 2.151 -8.842 8.660) 12.562 19.878 ( -2.915 -22.711 2.549) 23.039 19.878 ( 2.915 -22.711 2.549) 23.039 ======================= Grid point 240 (82/120) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 0.000 9.480 13.241) 16.285 2.233 ( 0.000 -0.381 20.697) 20.701 2.457 ( 0.000 7.359 2.513) 7.776 2.867 ( 0.000 -2.971 -7.569) 8.131 3.146 ( 0.000 4.596 -5.488) 7.158 3.279 ( 0.000 12.332 -1.577) 12.432 3.806 ( 0.000 32.037 2.433) 32.129 3.925 ( 0.000 15.945 -4.658) 16.611 3.965 ( 0.000 16.470 -4.649) 17.114 4.141 ( 0.000 24.534 -5.880) 25.228 4.726 ( 0.000 4.486 0.873) 4.570 4.758 ( 0.000 3.467 1.101) 3.638 6.716 ( 0.000 11.433 12.587) 17.004 6.930 ( 0.000 19.285 9.247) 21.387 7.071 ( 0.000 6.242 12.675) 14.129 7.277 ( 0.000 -3.205 2.909) 4.329 8.288 ( 0.000 9.554 5.895) 11.226 8.595 ( 0.000 -10.738 4.045) 11.475 8.688 ( 0.000 0.219 -5.913) 5.917 8.895 ( 0.000 1.687 -1.657) 2.365 8.951 ( 0.000 3.295 -3.460) 4.778 9.218 ( 0.000 17.473 -9.315) 19.801 9.579 ( 0.000 -15.905 -7.619) 17.636 9.595 ( 0.000 0.060 -10.545) 10.545 9.693 ( 0.000 2.996 -9.220) 9.694 10.106 ( 0.000 -2.362 -13.504) 13.709 10.380 ( 0.000 -0.352 -3.990) 4.006 10.489 ( 0.000 1.238 -4.145) 4.326 10.883 ( 0.000 8.197 4.770) 9.484 11.271 ( 0.000 -0.115 -6.859) 6.860 11.609 ( 0.000 -4.788 12.698) 13.571 11.918 ( 0.000 -2.917 -1.986) 3.528 12.153 ( 0.000 7.933 4.604) 9.172 12.367 ( 0.000 18.854 -7.987) 20.475 12.608 ( 0.000 12.716 0.720) 12.737 12.755 ( 0.000 10.490 7.290) 12.774 13.188 ( 0.000 19.197 -2.350) 19.340 13.209 ( 0.000 17.647 -20.071) 26.725 14.572 ( 0.000 -0.237 4.297) 4.303 14.774 ( 0.000 1.602 -1.345) 2.092 15.740 ( 0.000 -3.771 7.263) 8.184 16.268 ( 0.000 1.955 -7.038) 7.304 16.977 ( 0.000 -11.148 -9.108) 14.395 17.160 ( 0.000 -8.754 -9.606) 12.996 18.437 ( 0.000 -9.523 10.776) 14.381 18.529 ( 0.000 -9.741 6.737) 11.843 19.318 ( 0.000 -25.229 9.167) 26.842 19.478 ( 0.000 -22.552 0.619) 22.561 ======================= Grid point 241 (83/120) ======================= q-point: ( 0.25 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( -0.594 8.045 12.771) 15.106 2.321 ( -5.657 5.830 6.810) 10.600 2.425 ( 7.055 3.096 11.301) 13.677 2.801 ( -6.525 3.788 -2.902) 8.084 3.178 ( 6.633 1.515 -4.249) 8.022 3.426 ( 5.223 9.031 -3.736) 11.081 3.805 ( -1.993 21.874 -2.981) 22.166 3.859 ( 3.708 29.464 0.768) 29.706 4.107 ( 1.577 12.677 -4.102) 13.417 4.171 ( 8.291 23.610 -4.367) 25.402 4.552 ( -12.232 4.247 1.336) 13.017 4.684 ( -8.024 4.678 -1.301) 9.378 6.730 ( 1.309 11.991 12.810) 17.596 6.851 ( -3.984 15.946 11.876) 20.278 7.196 ( 7.009 8.183 7.707) 13.247 7.310 ( 2.127 -2.062 3.054) 4.255 8.252 ( -1.267 10.000 3.801) 10.773 8.501 ( -6.556 -0.264 1.359) 6.700 8.701 ( -0.359 -8.681 -0.302) 8.693 8.780 ( -7.472 -7.479 -1.855) 10.733 9.050 ( 8.089 8.756 0.052) 11.920 9.215 ( -0.359 15.744 -8.022) 17.674 9.607 ( 2.077 -3.051 -10.914) 11.521 9.658 ( 0.708 -1.483 -11.822) 11.936 9.772 ( 8.014 -3.197 -5.932) 10.470 10.076 ( -3.488 -3.296 -10.818) 11.835 10.426 ( 6.488 -0.017 -2.294) 6.882 10.591 ( 6.689 -0.832 -7.356) 9.977 10.857 ( -3.000 6.614 1.302) 7.378 11.124 ( -11.029 1.087 -7.188) 13.209 11.588 ( 0.970 -2.625 10.678) 11.039 11.925 ( -3.110 -4.332 1.025) 5.430 12.142 ( 0.694 9.665 4.669) 10.756 12.381 ( -11.189 12.070 0.770) 16.477 12.494 ( 9.594 18.397 -7.608) 22.099 12.872 ( 1.885 14.351 7.963) 16.520 13.148 ( -3.256 15.809 -20.247) 25.894 13.174 ( -1.276 15.508 -4.293) 16.141 14.621 ( 3.963 0.147 3.909) 5.569 14.774 ( -0.753 0.999 0.118) 1.257 15.832 ( 7.861 -2.661 5.939) 10.206 16.227 ( -4.439 1.748 -4.344) 6.453 16.946 ( -1.234 -10.738 -8.169) 13.548 17.099 ( -4.927 -8.336 -9.752) 13.742 18.465 ( 2.210 -9.737 9.916) 14.072 18.535 ( 0.069 -10.218 7.312) 12.565 19.343 ( 2.289 -24.162 6.676) 25.171 19.467 ( -1.306 -23.095 1.142) 23.160 ======================= Grid point 242 (84/120) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -6.710 7.832 7.538) 12.774 2.148 ( 6.710 7.832 7.538) 12.774 2.624 ( -8.747 3.883 5.801) 11.191 2.624 ( 8.747 3.883 5.801) 11.191 3.366 ( -8.100 4.145 -4.318) 10.071 3.366 ( 8.100 4.145 -4.318) 10.071 3.870 ( -3.993 28.386 -2.384) 28.765 3.870 ( 3.993 28.386 -2.384) 28.765 4.231 ( -10.775 14.077 1.610) 17.801 4.231 ( 10.775 14.077 1.610) 17.801 4.446 ( -11.103 5.835 -4.424) 13.300 4.446 ( 11.103 5.835 -4.424) 13.300 6.776 ( -2.738 13.782 12.795) 19.004 6.776 ( 2.738 13.782 12.795) 19.004 7.313 ( -2.741 3.788 3.731) 5.982 7.313 ( 2.741 3.788 3.731) 5.982 8.317 ( -7.383 6.454 2.149) 10.039 8.317 ( 7.383 6.454 2.149) 10.039 8.699 ( -1.022 -10.752 1.483) 10.902 8.699 ( 1.022 -10.752 1.483) 10.902 9.183 ( -3.226 12.646 -4.320) 13.747 9.183 ( 3.226 12.646 -4.320) 13.747 9.648 ( -1.264 -0.858 -11.100) 11.205 9.648 ( 1.264 -0.858 -11.100) 11.205 9.951 ( -7.206 -4.021 -6.181) 10.310 9.951 ( 7.206 -4.021 -6.181) 10.310 10.625 ( -7.799 -1.668 -4.098) 8.967 10.625 ( 7.799 -1.668 -4.098) 8.967 10.868 ( -9.158 4.084 -6.396) 11.893 10.868 ( 9.158 4.084 -6.396) 11.893 11.735 ( -10.853 -2.081 6.141) 12.642 11.735 ( 10.853 -2.081 6.141) 12.642 12.205 ( -4.678 10.912 1.905) 12.024 12.205 ( 4.678 10.912 1.905) 12.024 12.745 ( -10.901 17.946 -2.959) 21.204 12.745 ( 10.901 17.946 -2.959) 21.204 13.141 ( -1.558 12.552 -9.096) 15.579 13.141 ( 1.558 12.552 -9.096) 15.579 14.719 ( -4.010 0.457 2.463) 4.728 14.719 ( 4.010 0.457 2.463) 4.728 16.052 ( -10.335 -0.296 1.864) 10.506 16.052 ( 10.335 -0.296 1.864) 10.506 16.981 ( -4.378 -8.889 -9.015) 13.396 16.981 ( 4.378 -8.889 -9.015) 13.396 18.515 ( -1.807 -10.265 8.558) 13.486 18.515 ( 1.807 -10.265 8.558) 13.486 19.412 ( -3.326 -23.401 2.937) 23.818 19.412 ( 3.326 -23.401 2.937) 23.818 ======================= Grid point 245 (85/120) ======================= q-point: ( 0.00 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 0.000 1.903 14.387) 14.512 2.350 ( 0.000 11.579 8.860) 14.580 2.580 ( 0.000 5.126 -1.377) 5.308 2.814 ( 0.000 -2.122 -10.488) 10.700 3.197 ( 0.000 1.165 -7.460) 7.551 3.375 ( 0.000 -0.346 -5.815) 5.825 3.990 ( 0.000 -5.674 0.159) 5.676 4.131 ( 0.000 0.027 -3.990) 3.991 4.421 ( 0.000 28.637 1.946) 28.703 4.714 ( 0.000 29.477 -5.605) 30.005 4.988 ( 0.000 19.155 2.668) 19.340 5.015 ( 0.000 21.499 -0.664) 21.509 6.888 ( 0.000 5.839 13.365) 14.585 7.209 ( 0.000 7.707 9.496) 12.230 7.213 ( 0.000 2.562 4.718) 5.369 7.317 ( 0.000 13.097 4.922) 13.991 8.415 ( 0.000 -5.077 5.632) 7.583 8.556 ( 0.000 15.339 2.922) 15.614 8.570 ( 0.000 -6.086 4.033) 7.301 8.867 ( 0.000 -7.428 -10.491) 12.854 9.126 ( 0.000 15.097 -9.174) 17.666 9.309 ( 0.000 -10.673 -6.346) 12.417 9.432 ( 0.000 5.625 -9.120) 10.715 9.624 ( 0.000 1.984 -6.631) 6.922 9.768 ( 0.000 3.812 -8.387) 9.213 10.054 ( 0.000 -3.804 -15.232) 15.699 10.369 ( 0.000 -0.404 -2.464) 2.497 10.518 ( 0.000 1.294 -6.485) 6.612 10.992 ( 0.000 2.439 0.598) 2.511 11.194 ( 0.000 -6.830 -5.589) 8.826 11.495 ( 0.000 -6.695 10.707) 12.628 11.781 ( 0.000 -10.148 0.261) 10.151 12.346 ( 0.000 11.208 8.364) 13.985 12.671 ( 0.000 12.602 -2.005) 12.761 12.902 ( 0.000 15.568 0.725) 15.585 13.039 ( 0.000 16.618 0.837) 16.639 13.536 ( 0.000 14.335 -11.137) 18.153 13.578 ( 0.000 19.317 -1.931) 19.413 14.548 ( 0.000 -2.067 5.084) 5.488 14.776 ( 0.000 -0.973 -0.820) 1.273 15.683 ( 0.000 -1.786 5.610) 5.887 16.319 ( 0.000 3.127 -8.172) 8.750 16.744 ( 0.000 -12.089 -6.741) 13.841 16.984 ( 0.000 -8.790 -7.702) 11.687 18.246 ( 0.000 -9.497 11.133) 14.633 18.324 ( 0.000 -10.643 7.409) 12.968 18.885 ( 0.000 -18.562 6.327) 19.610 19.042 ( 0.000 -20.995 -1.350) 21.038 ======================= Grid point 246 (86/120) ======================= q-point: ( 0.25 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 0.890 6.695 9.414) 11.586 2.427 ( -1.554 5.640 6.837) 8.998 2.511 ( 2.677 6.212 2.188) 7.110 2.852 ( -2.952 1.671 -5.484) 6.448 3.145 ( 3.868 -3.028 -6.247) 7.947 3.479 ( 1.170 -1.924 -8.987) 9.265 3.960 ( 2.077 -3.363 0.918) 4.058 4.178 ( 1.069 -3.149 -4.139) 5.310 4.465 ( 3.964 28.301 1.274) 28.605 4.708 ( -0.735 27.792 -5.313) 28.305 4.866 ( -7.644 24.043 2.651) 25.368 4.965 ( -5.253 21.254 -1.328) 21.934 6.918 ( 2.699 6.801 13.149) 15.048 7.119 ( -5.225 10.206 10.446) 15.511 7.283 ( 5.157 0.808 3.382) 6.220 7.388 ( 3.047 9.890 4.481) 11.278 8.433 ( 1.207 -3.740 5.645) 6.879 8.494 ( -1.959 10.360 0.059) 10.544 8.569 ( -1.579 -1.706 2.893) 3.711 8.700 ( -12.095 -0.660 -7.972) 14.501 9.144 ( 7.229 2.223 -3.146) 8.191 9.397 ( -2.098 3.816 -7.629) 8.784 9.539 ( 9.071 -0.300 -7.723) 11.917 9.665 ( 1.710 1.946 -8.582) 8.964 9.806 ( 4.026 3.135 -7.406) 8.994 10.028 ( -2.776 -2.750 -12.717) 13.304 10.424 ( 6.073 -0.052 -2.560) 6.590 10.569 ( 3.626 -1.138 -7.453) 8.366 10.934 ( -5.178 0.797 -3.201) 6.139 11.070 ( -8.964 -5.699 -6.574) 12.492 11.509 ( 2.873 -5.562 8.718) 10.733 11.781 ( -2.427 -9.913 0.986) 10.253 12.360 ( 1.908 12.236 8.676) 15.120 12.642 ( -8.949 13.770 5.608) 17.354 12.824 ( 6.824 14.629 -5.814) 17.157 13.196 ( 5.293 17.602 5.261) 19.118 13.421 ( -7.198 11.804 -12.863) 18.884 13.535 ( -4.072 18.413 -4.539) 19.396 14.600 ( 4.100 -2.155 4.362) 6.362 14.764 ( -1.486 -1.640 0.531) 2.276 15.793 ( 9.322 -0.976 5.151) 10.695 16.271 ( -5.689 2.693 -3.546) 7.225 16.728 ( 0.595 -11.008 -7.917) 13.572 16.935 ( -4.307 -8.031 -8.829) 12.689 18.270 ( 1.830 -9.754 10.048) 14.123 18.326 ( -0.071 -10.565 7.587) 13.007 18.913 ( 2.351 -19.079 4.759) 19.803 19.027 ( -1.447 -20.968 -0.501) 21.024 ======================= Grid point 247 (87/120) ======================= q-point: (-0.50 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -5.448 7.251 4.637) 10.187 2.302 ( 5.448 7.251 4.637) 10.187 2.688 ( -9.045 3.755 2.930) 10.222 2.688 ( 9.045 3.755 2.930) 10.222 3.345 ( -10.289 -4.383 -7.761) 13.613 3.345 ( 10.289 -4.383 -7.761) 13.613 4.107 ( -7.293 -3.784 -2.359) 8.548 4.107 ( 7.293 -3.784 -2.359) 8.548 4.599 ( -7.648 26.310 -0.328) 27.401 4.599 ( 7.648 26.310 -0.328) 27.401 4.833 ( -4.746 25.784 -1.632) 26.267 4.833 ( 4.746 25.784 -1.632) 26.267 7.004 ( -4.756 8.641 12.080) 15.595 7.004 ( 4.756 8.641 12.080) 15.595 7.391 ( -3.064 4.283 3.028) 6.075 7.391 ( 3.064 4.283 3.028) 6.075 8.474 ( -3.436 5.558 1.115) 6.629 8.474 ( 3.436 5.558 1.115) 6.629 8.530 ( -1.835 -1.589 -0.685) 2.523 8.530 ( 1.835 -1.589 -0.685) 2.523 9.312 ( -5.938 1.956 -3.438) 7.135 9.312 ( 5.938 1.956 -3.438) 7.135 9.657 ( -2.347 2.061 -8.579) 9.130 9.657 ( 2.347 2.061 -8.579) 9.130 9.927 ( -5.699 0.132 -7.867) 9.715 9.927 ( 5.699 0.132 -7.867) 9.715 10.591 ( -4.923 -1.431 -4.577) 6.873 10.591 ( 4.923 -1.431 -4.577) 6.873 10.880 ( -4.830 -2.643 -8.713) 10.307 10.880 ( 4.830 -2.643 -8.713) 10.307 11.646 ( -8.075 -7.020 4.327) 11.542 11.646 ( 8.075 -7.020 4.327) 11.542 12.451 ( -6.389 13.701 7.053) 16.682 12.451 ( 6.389 13.701 7.053) 16.682 13.071 ( -12.372 14.438 -1.150) 19.048 13.071 ( 12.372 14.438 -1.150) 19.048 13.426 ( -5.025 15.237 -7.209) 17.590 13.426 ( 5.025 15.237 -7.209) 17.590 14.699 ( -4.128 -2.273 2.652) 5.407 14.699 ( 4.128 -2.273 2.652) 5.407 16.053 ( -12.349 0.448 2.964) 12.708 16.053 ( 12.349 0.448 2.964) 12.708 16.811 ( -5.850 -8.098 -9.607) 13.860 16.811 ( 5.850 -8.098 -9.607) 13.860 18.310 ( -1.408 -10.206 8.413) 13.301 18.310 ( 1.408 -10.206 8.413) 13.301 18.977 ( -2.897 -20.282 1.766) 20.564 18.977 ( 2.897 -20.282 1.766) 20.564 ======================= Grid point 250 (88/120) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 0.000 6.031 6.788) 9.080 2.572 ( 0.000 9.667 5.624) 11.184 2.662 ( 0.000 3.235 -3.092) 4.475 2.799 ( 0.000 1.661 -12.002) 12.116 3.205 ( 0.000 -0.014 -7.284) 7.284 3.315 ( 0.000 -5.163 -8.029) 9.546 3.813 ( 0.000 -10.821 1.418) 10.913 4.030 ( 0.000 -8.580 -3.815) 9.390 4.935 ( 0.000 23.250 2.819) 23.421 5.242 ( 0.000 23.051 -3.592) 23.329 5.401 ( 0.000 20.281 2.536) 20.439 5.444 ( 0.000 20.014 -1.125) 20.046 6.978 ( 0.000 4.156 10.825) 11.596 7.230 ( 0.000 0.699 1.384) 1.550 7.342 ( 0.000 4.823 1.028) 4.931 7.542 ( 0.000 6.536 0.131) 6.537 8.403 ( 0.000 3.997 9.778) 10.563 8.505 ( 0.000 -0.912 2.765) 2.911 8.768 ( 0.000 0.148 -5.234) 5.236 8.849 ( 0.000 11.993 -0.948) 12.031 9.177 ( 0.000 -1.832 -3.890) 4.300 9.433 ( 0.000 14.631 -7.575) 16.476 9.516 ( 0.000 4.572 -7.660) 8.920 9.648 ( 0.000 0.621 -6.316) 6.346 9.823 ( 0.000 1.520 -7.094) 7.254 9.947 ( 0.000 -6.795 -16.271) 17.633 10.379 ( 0.000 1.626 -1.844) 2.459 10.541 ( 0.000 1.247 -7.724) 7.824 10.988 ( 0.000 -2.271 -3.243) 3.959 11.027 ( 0.000 -9.372 -3.317) 9.942 11.344 ( 0.000 -8.542 5.405) 10.108 11.536 ( 0.000 -14.257 1.740) 14.363 12.579 ( 0.000 11.910 10.430) 15.832 12.891 ( 0.000 9.488 3.240) 10.026 13.187 ( 0.000 12.776 1.369) 12.849 13.355 ( 0.000 14.775 -3.482) 15.180 13.748 ( 0.000 6.882 -1.924) 7.146 13.921 ( 0.000 14.632 -2.069) 14.778 14.500 ( 0.000 -2.434 6.095) 6.562 14.750 ( 0.000 -1.429 -0.351) 1.471 15.675 ( 0.000 1.081 3.666) 3.823 16.373 ( 0.000 0.678 -11.178) 11.199 16.520 ( 0.000 -9.024 -0.721) 9.053 16.821 ( 0.000 -7.527 -4.713) 8.881 18.072 ( 0.000 -7.817 10.785) 13.320 18.125 ( 0.000 -9.035 6.585) 11.180 18.571 ( 0.000 -13.652 2.450) 13.870 18.659 ( 0.000 -17.478 -3.459) 17.817 ======================= Grid point 251 (89/120) ======================= q-point: ( 0.25 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 2.433 6.185 5.240) 8.464 2.537 ( -4.384 4.892 1.434) 6.723 2.673 ( 3.796 9.534 1.311) 10.345 2.870 ( 1.763 0.310 -9.259) 9.431 3.098 ( -1.286 -1.141 -5.192) 5.469 3.390 ( -1.487 -6.544 -10.885) 12.788 3.816 ( 3.498 -9.469 1.406) 10.192 4.038 ( -0.714 -9.680 -4.019) 10.506 4.978 ( 3.770 23.241 2.360) 23.663 5.216 ( -2.796 22.740 -2.541) 23.051 5.337 ( -3.837 21.704 1.798) 22.114 5.396 ( -3.740 20.444 -1.672) 20.850 7.018 ( 3.376 4.112 9.964) 11.296 7.210 ( -2.973 1.002 3.633) 4.800 7.364 ( 3.432 4.990 0.104) 6.058 7.540 ( -1.061 4.049 -0.704) 4.244 8.426 ( 1.802 3.489 6.895) 7.935 8.525 ( 1.203 2.719 3.572) 4.648 8.682 ( -4.906 3.480 -2.700) 6.594 8.797 ( -5.015 9.753 -2.788) 11.316 9.186 ( 5.100 2.998 -2.565) 6.448 9.458 ( -3.716 2.737 -4.721) 6.602 9.611 ( 8.213 6.531 -6.010) 12.093 9.712 ( 2.775 3.769 -9.063) 10.200 9.851 ( 2.752 1.238 -6.421) 7.095 9.947 ( 0.084 -5.363 -13.893) 14.893 10.434 ( 5.696 1.252 -2.608) 6.389 10.557 ( 1.429 0.146 -7.533) 7.669 10.880 ( -8.080 -6.465 -6.247) 12.087 10.949 ( -6.218 -5.059 -4.046) 8.979 11.365 ( 2.706 -8.843 4.081) 10.108 11.545 ( -1.141 -13.641 1.090) 13.732 12.611 ( 3.113 12.672 10.411) 16.693 12.910 ( -4.692 12.770 8.667) 16.131 13.066 ( 2.150 9.954 -3.293) 10.703 13.527 ( 8.605 15.079 0.538) 17.370 13.595 ( -11.147 5.853 -3.933) 13.190 13.868 ( -4.976 14.979 -3.247) 16.114 14.540 ( 3.456 -3.716 5.054) 7.162 14.720 ( -2.749 -2.715 0.747) 3.935 15.798 ( 10.119 1.560 3.930) 10.967 16.327 ( -7.758 2.729 -1.152) 8.304 16.520 ( 4.026 -9.913 -7.820) 13.252 16.786 ( -3.540 -7.056 -6.381) 10.151 18.091 ( 1.531 -7.972 9.409) 12.427 18.132 ( 0.317 -8.619 6.610) 10.866 18.583 ( 1.041 -14.596 1.811) 14.745 18.647 ( -1.106 -17.328 -2.416) 17.530 ======================= Grid point 252 (90/120) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( -4.646 5.667 2.573) 7.766 2.428 ( 4.646 5.667 2.573) 7.766 2.792 ( -5.900 6.611 -0.898) 8.906 2.792 ( 5.900 6.611 -0.898) 8.906 3.232 ( -9.593 -6.440 -8.736) 14.485 3.232 ( 9.593 -6.440 -8.736) 14.485 3.958 ( -6.379 -9.811 -2.717) 12.013 3.958 ( 6.379 -9.811 -2.717) 12.013 5.098 ( -6.484 22.890 1.109) 23.816 5.098 ( 6.484 22.890 1.109) 23.816 5.319 ( -2.153 21.999 -1.459) 22.152 5.319 ( 2.153 21.999 -1.459) 22.152 7.114 ( -4.779 3.256 7.368) 9.366 7.114 ( 4.779 3.256 7.368) 9.366 7.471 ( -4.825 2.797 -1.090) 5.683 7.471 ( 4.825 2.797 -1.090) 5.683 8.486 ( -3.600 3.761 3.692) 6.382 8.486 ( 3.600 3.761 3.692) 6.382 8.683 ( -4.285 8.471 -1.619) 9.630 8.683 ( 4.285 8.471 -1.619) 9.630 9.342 ( -6.861 1.812 -1.651) 7.286 9.342 ( 6.861 1.812 -1.651) 7.286 9.716 ( -2.044 3.872 -8.472) 9.537 9.716 ( 2.044 3.872 -8.472) 9.537 9.924 ( -2.681 -0.420 -7.810) 8.268 9.924 ( 2.681 -0.420 -7.810) 8.268 10.580 ( -2.272 0.495 -4.426) 5.000 10.580 ( 2.272 0.495 -4.426) 5.000 10.786 ( -4.042 -6.261 -8.703) 11.458 10.786 ( 4.042 -6.261 -8.703) 11.458 11.463 ( -5.185 -11.114 1.849) 12.403 11.463 ( 5.185 -11.114 1.849) 12.403 12.729 ( -7.486 13.973 9.208) 18.332 12.729 ( 7.486 13.973 9.208) 18.332 13.292 ( -13.576 7.539 -0.198) 15.530 13.292 ( 13.576 7.539 -0.198) 15.530 13.720 ( -7.696 14.267 -3.621) 16.610 13.720 ( 7.696 14.267 -3.621) 16.610 14.635 ( -4.467 -4.157 2.816) 6.721 14.635 ( 4.467 -4.157 2.816) 6.721 16.073 ( -13.095 1.644 3.618) 13.685 16.073 ( 13.095 1.644 3.618) 13.685 16.663 ( -6.940 -7.064 -8.572) 13.098 16.663 ( 6.940 -7.064 -8.572) 13.098 18.125 ( -1.074 -8.137 7.340) 11.011 18.125 ( 1.074 -8.137 7.340) 11.011 18.614 ( -1.625 -16.375 -0.102) 16.456 18.614 ( 1.625 -16.375 -0.102) 16.456 ======================= Grid point 255 (91/120) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 0.000 9.539 -0.096) 9.539 2.674 ( 0.000 1.570 -2.331) 2.811 2.708 ( 0.000 1.283 -3.648) 3.867 2.921 ( 0.000 8.194 -6.886) 10.703 3.196 ( 0.000 -5.360 -9.359) 10.785 3.209 ( 0.000 0.823 -5.682) 5.741 3.596 ( 0.000 -10.488 2.783) 10.851 3.823 ( 0.000 -11.912 -3.384) 12.383 5.339 ( 0.000 17.534 3.536) 17.887 5.601 ( 0.000 12.702 0.358) 12.707 5.744 ( 0.000 13.837 1.531) 13.921 5.772 ( 0.000 12.816 -2.490) 13.056 7.070 ( 0.000 5.273 3.917) 6.569 7.246 ( 0.000 0.847 -0.757) 1.136 7.394 ( 0.000 0.795 -4.155) 4.230 7.552 ( 0.000 -4.473 -7.744) 8.943 8.519 ( 0.000 2.414 0.943) 2.592 8.528 ( 0.000 6.751 9.224) 11.431 8.896 ( 0.000 10.853 4.462) 11.734 8.997 ( 0.000 4.976 -1.867) 5.315 9.237 ( 0.000 5.983 -3.540) 6.952 9.592 ( 0.000 0.101 -7.458) 7.458 9.639 ( 0.000 6.427 -8.998) 11.058 9.700 ( 0.000 0.782 -9.180) 9.213 9.832 ( 0.000 0.200 -9.977) 9.979 9.835 ( 0.000 0.808 0.089) 0.813 10.440 ( 0.000 4.539 -3.211) 5.560 10.573 ( 0.000 1.955 -8.677) 8.894 10.851 ( 0.000 -7.531 -1.666) 7.713 10.925 ( 0.000 -3.465 -5.589) 6.576 11.162 ( 0.000 -9.603 0.269) 9.607 11.234 ( 0.000 -15.705 2.153) 15.851 12.801 ( 0.000 10.156 10.178) 14.378 13.030 ( 0.000 4.203 5.030) 6.555 13.405 ( 0.000 9.420 1.668) 9.566 13.606 ( 0.000 9.505 -8.159) 12.527 13.831 ( 0.000 3.045 9.193) 9.684 14.120 ( 0.000 4.399 -0.750) 4.462 14.481 ( 0.000 1.657 5.770) 6.003 14.718 ( 0.000 -2.083 -0.143) 2.088 15.729 ( 0.000 4.511 1.690) 4.817 16.242 ( 0.000 -10.560 -7.563) 12.989 16.485 ( 0.000 1.973 0.348) 2.003 16.687 ( 0.000 -5.997 -1.338) 6.144 17.952 ( 0.000 -4.043 8.991) 9.859 17.983 ( 0.000 -5.023 4.132) 6.504 18.336 ( 0.000 -10.108 -0.241) 10.111 18.361 ( 0.000 -12.385 -5.093) 13.391 ======================= Grid point 256 (92/120) ======================= q-point: ( 0.25 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 1.437 8.637 -0.297) 8.761 2.620 ( -3.573 3.606 -1.572) 5.314 2.788 ( 5.820 -0.332 -4.349) 7.273 2.925 ( 0.329 5.942 -7.274) 9.398 3.116 ( -2.237 3.220 -4.647) 6.080 3.251 ( -2.574 -5.689 -8.201) 10.307 3.616 ( 3.731 -10.351 1.520) 11.107 3.817 ( -1.360 -12.395 -3.542) 12.963 5.380 ( 3.580 17.347 3.026) 17.969 5.586 ( -1.865 14.057 0.162) 14.181 5.689 ( -3.482 13.534 1.500) 14.055 5.731 ( -3.086 12.919 -2.356) 13.490 7.103 ( 2.647 4.782 3.376) 6.425 7.231 ( -1.634 1.654 0.004) 2.325 7.411 ( 1.816 -0.269 -4.882) 5.216 7.530 ( -1.966 -4.428 -6.830) 8.374 8.534 ( 2.706 6.151 3.939) 7.790 8.626 ( 5.990 6.076 6.202) 10.548 8.813 ( -5.715 9.316 3.624) 11.515 8.946 ( -4.094 6.071 -0.987) 7.389 9.270 ( 3.489 5.059 -3.979) 7.321 9.501 ( -5.249 1.483 -4.184) 6.875 9.677 ( 3.147 -1.425 -8.990) 9.630 9.803 ( -1.720 -5.193 -11.622) 12.845 9.878 ( 7.289 6.406 -2.163) 9.942 9.905 ( 6.466 7.508 -6.606) 11.909 10.474 ( 3.952 2.492 -3.356) 5.753 10.574 ( 0.449 0.964 -8.318) 8.386 10.738 ( -7.612 -5.856 -2.848) 10.017 10.866 ( -5.909 -3.271 -5.827) 8.920 11.166 ( 1.406 -11.129 0.362) 11.223 11.259 ( 0.135 -14.602 0.166) 14.603 12.846 ( 4.138 10.752 9.853) 15.159 13.103 ( 4.773 5.363 7.440) 10.339 13.244 ( -7.820 9.128 0.601) 12.035 13.629 ( -7.868 -0.937 -4.368) 9.048 13.813 ( 5.640 12.689 6.302) 15.249 14.115 ( -2.614 9.336 -2.418) 9.992 14.463 ( 0.402 -3.445 5.630) 6.613 14.656 ( -4.846 -3.802 0.558) 6.185 15.858 ( 10.220 4.539 2.402) 11.438 16.326 ( 4.208 -8.695 -2.664) 10.021 16.382 ( -5.782 1.804 -2.222) 6.451 16.653 ( -3.629 -6.491 -2.879) 7.975 17.972 ( 1.688 -3.741 7.021) 8.133 18.003 ( 1.155 -4.128 4.127) 5.950 18.328 ( -0.458 -11.182 -0.363) 11.197 18.349 ( -0.973 -12.513 -3.757) 13.101 ======================= Grid point 257 (93/120) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( -3.015 6.168 -0.782) 6.911 2.541 ( 3.015 6.168 -0.782) 6.911 2.908 ( -3.128 2.230 -6.302) 7.381 2.908 ( 3.128 2.230 -6.302) 7.381 3.135 ( -4.681 -0.613 -4.517) 6.533 3.135 ( 4.681 -0.613 -4.517) 6.533 3.739 ( -5.445 -11.981 -2.468) 13.390 3.739 ( 5.445 -11.981 -2.468) 13.390 5.490 ( -5.687 16.573 1.787) 17.613 5.490 ( 5.687 16.573 1.787) 17.613 5.669 ( -1.677 12.852 -0.887) 12.991 5.669 ( 1.677 12.852 -0.887) 12.991 7.173 ( -3.224 3.399 1.717) 4.989 7.173 ( 3.224 3.399 1.717) 4.989 7.471 ( -3.068 -2.842 -5.753) 7.112 7.471 ( 3.068 -2.842 -5.753) 7.112 8.629 ( -5.173 9.283 4.869) 11.689 8.629 ( 5.173 9.283 4.869) 11.689 8.825 ( -6.189 5.735 1.613) 8.590 8.825 ( 6.189 5.735 1.613) 8.590 9.380 ( -5.587 2.208 -3.179) 6.796 9.380 ( 5.587 2.208 -3.179) 6.796 9.744 ( -3.007 -3.480 -9.340) 10.411 9.744 ( 3.007 -3.480 -9.340) 10.411 9.984 ( -1.556 8.587 -5.058) 10.087 9.984 ( 1.556 8.587 -5.058) 10.087 10.596 ( -4.548 -2.512 -3.857) 6.471 10.596 ( 4.548 -2.512 -3.857) 6.471 10.670 ( -9.872 -1.565 -7.603) 12.558 10.670 ( 9.872 -1.565 -7.603) 12.558 11.221 ( -2.839 -12.965 -0.446) 13.280 11.221 ( 2.839 -12.965 -0.446) 13.280 12.988 ( -8.312 11.906 8.629) 16.891 12.988 ( 8.312 11.906 8.629) 16.891 13.370 ( -12.202 0.620 1.731) 12.339 13.370 ( 12.202 0.620 1.731) 12.339 13.985 ( -7.788 12.471 -0.853) 14.727 13.985 ( 7.788 12.471 -0.853) 14.727 14.535 ( -5.196 -5.966 2.721) 8.367 14.535 ( 5.196 -5.966 2.721) 8.367 16.123 ( -12.252 3.626 3.323) 13.202 16.123 ( 12.252 3.626 3.323) 13.202 16.520 ( -7.741 -7.549 -5.312) 12.046 16.520 ( 7.741 -7.549 -5.312) 12.046 18.008 ( -0.965 -3.227 4.512) 5.631 18.008 ( 0.965 -3.227 4.512) 5.631 18.328 ( -0.601 -12.565 -1.375) 12.654 18.328 ( 0.601 -12.565 -1.375) 12.654 ======================= Grid point 260 (94/120) ======================= q-point: ( 0.00 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( 0.000 11.268 -5.363) 12.479 2.694 ( 0.000 0.987 -4.593) 4.698 2.713 ( 0.000 -0.455 -4.407) 4.430 2.903 ( 0.000 -9.286 -8.433) 12.544 3.250 ( 0.000 7.744 -6.507) 10.116 3.251 ( 0.000 3.310 -3.393) 4.740 3.433 ( 0.000 -3.742 3.141) 4.886 3.574 ( 0.000 -12.700 -2.305) 12.908 5.620 ( 0.000 10.389 4.109) 11.172 5.728 ( 0.000 0.079 3.677) 3.678 5.934 ( 0.000 5.154 -0.546) 5.183 5.943 ( 0.000 4.269 -2.701) 5.051 7.183 ( 0.000 5.697 -2.914) 6.399 7.255 ( 0.000 -0.740 -3.500) 3.577 7.392 ( 0.000 -0.309 -6.056) 6.064 7.434 ( 0.000 -5.450 -8.745) 10.304 8.583 ( 0.000 3.164 2.263) 3.890 8.611 ( 0.000 1.088 5.060) 5.175 9.092 ( 0.000 6.291 8.689) 10.727 9.099 ( 0.000 4.345 4.841) 6.505 9.374 ( 0.000 7.994 -8.398) 11.595 9.546 ( 0.000 -7.742 -13.149) 15.259 9.599 ( 0.000 -0.805 -11.586) 11.614 9.657 ( 0.000 -3.804 -14.869) 15.348 9.916 ( 0.000 5.191 9.480) 10.808 9.935 ( 0.000 3.796 3.607) 5.237 10.539 ( 0.000 4.539 -6.000) 7.523 10.594 ( 0.000 -0.825 -9.258) 9.295 10.786 ( 0.000 2.424 -0.414) 2.459 10.883 ( 0.000 -0.196 -6.029) 6.032 10.949 ( 0.000 -11.461 0.608) 11.477 10.981 ( 0.000 -7.905 -3.849) 8.792 12.969 ( 0.000 6.629 8.497) 10.777 13.054 ( 0.000 -1.701 6.521) 6.739 13.565 ( 0.000 6.843 0.264) 6.848 13.667 ( 0.000 -2.683 -5.212) 5.862 13.948 ( 0.000 8.276 10.164) 13.108 14.095 ( 0.000 -5.567 4.630) 7.240 14.565 ( 0.000 5.445 2.146) 5.853 14.660 ( 0.000 -3.885 0.420) 3.908 15.853 ( 0.000 7.890 -0.578) 7.911 16.034 ( 0.000 -10.088 -3.431) 10.655 16.526 ( 0.000 2.308 1.063) 2.541 16.587 ( 0.000 -4.028 0.947) 4.138 17.913 ( 0.000 -0.201 5.867) 5.870 17.924 ( 0.000 -1.312 3.119) 3.384 18.184 ( 0.000 -4.541 -2.469) 5.169 18.185 ( 0.000 -4.878 -4.987) 6.976 ======================= Grid point 261 (95/120) ======================= q-point: ( 0.25 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( -0.236 6.497 -3.763) 7.511 2.692 ( -0.797 6.316 -5.426) 8.364 2.747 ( 3.019 -2.112 -6.181) 7.196 2.894 ( -1.442 -8.767 -8.689) 12.427 3.238 ( 0.043 6.906 -3.686) 7.828 3.281 ( 0.829 8.253 -3.144) 8.870 3.428 ( 0.880 -7.122 1.556) 7.343 3.560 ( -1.609 -13.142 -2.559) 13.485 5.653 ( 2.940 9.794 3.306) 10.747 5.743 ( 1.405 1.393 2.620) 3.283 5.875 ( -4.593 5.456 -0.043) 7.132 5.896 ( -3.660 3.600 -1.935) 5.486 7.210 ( 2.134 5.714 -3.100) 6.842 7.271 ( 0.921 1.253 -3.226) 3.581 7.375 ( -1.027 -2.138 -6.680) 7.088 7.415 ( -1.514 -5.636 -7.420) 9.440 8.645 ( 5.346 4.712 3.118) 7.778 8.697 ( 6.887 0.219 4.987) 8.506 8.989 ( -7.446 6.948 6.119) 11.881 9.042 ( -5.334 2.094 5.161) 7.711 9.394 ( 2.059 7.719 -7.283) 10.811 9.537 ( -3.172 2.067 -7.913) 8.772 9.567 ( 1.306 -6.716 -9.950) 12.076 9.663 ( -1.183 -7.481 -10.988) 13.346 10.032 ( 8.865 7.253 2.468) 11.717 10.069 ( 9.888 4.738 -1.005) 11.010 10.501 ( -3.821 0.468 -5.649) 6.836 10.546 ( -4.180 -3.387 -7.283) 9.055 10.739 ( -1.741 6.139 -1.692) 6.602 10.857 ( -2.841 2.992 -5.967) 7.255 10.932 ( 0.287 -11.414 -0.954) 11.457 11.005 ( -0.052 -10.371 -3.569) 10.968 13.026 ( 5.127 7.277 8.075) 12.019 13.125 ( 6.271 -2.382 6.404) 9.274 13.424 ( -9.765 8.380 2.614) 13.131 13.563 ( -9.044 -5.434 0.413) 10.559 14.037 ( 7.053 9.789 5.203) 13.139 14.181 ( 5.995 -3.471 2.167) 7.258 14.461 ( -7.641 4.074 2.379) 8.980 14.566 ( -7.235 -5.313 0.509) 8.991 15.978 ( 9.739 7.475 0.289) 12.281 16.145 ( 8.653 -9.096 -2.396) 12.781 16.437 ( -7.273 3.686 1.429) 8.278 16.531 ( -5.185 -5.646 0.253) 7.670 17.947 ( 2.817 0.823 3.750) 4.762 17.964 ( 2.945 -0.490 2.486) 3.885 18.154 ( -2.244 -5.281 -2.595) 6.298 18.164 ( -1.962 -5.855 -2.938) 6.838 ======================= Grid point 262 (96/120) ======================= q-point: (-0.50 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( -0.486 7.500 -4.626) 8.825 2.677 ( 0.486 7.500 -4.626) 8.825 2.829 ( -3.905 -7.372 -7.909) 11.496 2.829 ( 3.905 -7.372 -7.909) 11.496 3.261 ( -1.760 10.602 -1.466) 10.847 3.261 ( 1.760 10.602 -1.466) 10.847 3.494 ( -3.901 -12.464 -1.967) 13.207 3.494 ( 3.901 -12.464 -1.967) 13.207 5.743 ( -4.245 8.596 1.397) 9.689 5.743 ( 4.245 8.596 1.397) 9.689 5.814 ( -2.557 1.707 0.326) 3.091 5.814 ( 2.557 1.707 0.326) 3.091 7.261 ( -1.923 5.463 -3.418) 6.725 7.261 ( 1.923 5.463 -3.418) 6.725 7.378 ( -1.399 -5.889 -6.487) 8.872 7.378 ( 1.399 -5.889 -6.487) 8.872 8.801 ( -7.575 7.151 4.906) 11.515 8.801 ( 7.575 7.151 4.906) 11.515 8.883 ( -7.811 -0.640 4.674) 9.125 8.883 ( 7.811 -0.640 4.674) 9.125 9.460 ( -3.491 6.397 -6.562) 9.807 9.460 ( 3.491 6.397 -6.562) 9.807 9.614 ( -2.585 -8.213 -8.359) 12.001 9.614 ( 2.585 -8.213 -8.359) 12.001 10.208 ( -2.881 12.367 -3.664) 13.216 10.208 ( 2.881 12.367 -3.664) 13.216 10.438 ( -2.727 -10.419 -4.115) 11.529 10.438 ( 2.727 -10.419 -4.115) 11.529 10.767 ( -3.872 8.232 -4.878) 10.322 10.767 ( 3.872 8.232 -4.878) 10.322 10.970 ( -2.436 -11.922 -2.835) 12.494 10.970 ( 2.436 -11.922 -2.835) 12.494 13.193 ( -9.152 8.701 6.673) 14.283 13.193 ( 9.152 8.701 6.673) 14.283 13.327 ( -10.399 -4.692 4.205) 12.158 13.327 ( 10.399 -4.692 4.205) 12.158 14.212 ( -7.023 10.428 1.048) 12.616 14.212 ( 7.023 10.428 1.048) 12.616 14.396 ( -6.109 -8.149 2.190) 10.418 14.396 ( 6.109 -8.149 2.190) 10.418 16.221 ( -10.559 6.271 1.747) 12.405 16.221 ( 10.559 6.271 1.747) 12.405 16.365 ( -8.910 -7.936 -1.275) 12.000 16.365 ( 8.910 -7.936 -1.275) 12.000 18.006 ( -0.898 2.986 1.062) 3.293 18.006 ( 0.898 2.986 1.062) 3.293 18.120 ( -0.679 -8.333 -1.103) 8.433 18.120 ( 0.679 -8.333 -1.103) 8.433 ======================= Grid point 300 (97/120) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 0.000 0.000 8.743) 8.743 1.901 ( 0.000 0.000 -0.609) 0.609 2.307 ( 0.000 0.000 11.962) 11.962 2.337 ( 0.000 0.000 8.115) 8.115 2.507 ( 0.000 0.000 2.497) 2.497 2.575 ( 0.000 0.000 -3.798) 3.798 3.126 ( 0.000 0.000 2.067) 2.067 3.190 ( 0.000 0.000 -3.057) 3.057 3.495 ( 0.000 0.000 0.456) 0.456 3.540 ( 0.000 0.000 -5.825) 5.825 4.903 ( 0.000 0.000 6.423) 6.423 5.041 ( 0.000 0.000 -4.435) 4.435 6.112 ( 0.000 0.000 1.104) 1.104 6.124 ( 0.000 0.000 0.045) 0.045 7.116 ( 0.000 0.000 16.088) 16.088 7.479 ( 0.000 0.000 -16.525) 16.525 7.673 ( 0.000 0.000 3.057) 3.057 7.730 ( 0.000 0.000 -2.302) 2.302 8.734 ( 0.000 0.000 8.447) 8.447 8.754 ( 0.000 0.000 2.930) 2.930 8.759 ( 0.000 0.000 2.429) 2.429 8.765 ( 0.000 0.000 4.462) 4.462 9.856 ( 0.000 0.000 -4.233) 4.233 9.876 ( 0.000 0.000 -5.975) 5.975 10.017 ( 0.000 0.000 -4.216) 4.216 10.035 ( 0.000 0.000 -2.596) 2.596 10.209 ( 0.000 0.000 -4.929) 4.929 10.222 ( 0.000 0.000 -3.010) 3.010 10.817 ( 0.000 0.000 9.264) 9.264 11.063 ( 0.000 0.000 -12.403) 12.403 11.423 ( 0.000 0.000 3.208) 3.208 11.488 ( 0.000 0.000 -2.894) 2.894 11.957 ( 0.000 0.000 2.759) 2.759 11.986 ( 0.000 0.000 0.046) 0.046 12.281 ( 0.000 0.000 1.587) 1.587 12.356 ( 0.000 0.000 -4.588) 4.588 12.613 ( 0.000 0.000 0.098) 0.098 12.623 ( 0.000 0.000 -1.637) 1.637 14.509 ( 0.000 0.000 0.733) 0.733 14.512 ( 0.000 0.000 0.493) 0.493 16.059 ( 0.000 0.000 5.929) 5.929 16.156 ( 0.000 0.000 -3.288) 3.288 17.195 ( 0.000 0.000 -2.152) 2.152 17.259 ( 0.000 0.000 -7.457) 7.457 18.942 ( 0.000 0.000 4.139) 4.139 18.967 ( 0.000 0.000 1.661) 1.661 20.433 ( 0.000 0.000 3.078) 3.078 20.503 ( 0.000 0.000 -3.610) 3.610 ======================= Grid point 301 (98/120) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 1.389 0.000 7.537) 7.664 1.890 ( -0.954 0.000 0.927) 1.331 2.284 ( -1.194 0.000 12.066) 12.125 2.326 ( -1.238 0.000 7.575) 7.675 2.514 ( 0.697 0.000 1.379) 1.545 2.563 ( -0.983 0.000 -3.072) 3.226 2.905 ( -9.497 0.000 -0.257) 9.501 2.984 ( -10.560 0.000 -6.364) 12.330 3.841 ( 21.642 0.000 1.844) 21.720 3.890 ( 21.893 0.000 -0.705) 21.905 4.753 ( -12.697 0.000 4.610) 13.508 4.863 ( -14.752 0.000 -3.454) 15.151 6.114 ( 0.149 0.000 0.953) 0.965 6.122 ( -0.141 0.000 0.204) 0.248 7.166 ( 4.087 0.000 11.892) 12.575 7.410 ( -5.254 0.000 -9.842) 11.157 7.681 ( 0.684 0.000 2.289) 2.389 7.721 ( -0.729 0.000 -1.498) 1.666 8.744 ( 2.522 0.000 8.085) 8.469 8.755 ( 0.080 0.000 2.840) 2.841 8.758 ( -0.050 0.000 2.487) 2.487 8.834 ( 2.265 0.000 -0.441) 2.307 9.859 ( 0.260 0.000 -4.473) 4.480 9.874 ( -0.235 0.000 -5.705) 5.710 9.956 ( 1.594 0.000 6.773) 6.958 10.131 ( -2.228 0.000 -6.216) 6.603 10.246 ( 3.551 0.000 -6.247) 7.185 10.280 ( 7.137 0.000 -7.813) 10.582 10.928 ( 8.587 0.000 5.736) 10.327 11.080 ( 1.875 0.000 -7.881) 8.101 11.432 ( 0.754 0.000 2.359) 2.477 11.477 ( -0.856 0.000 -1.938) 2.119 11.962 ( 0.398 0.000 2.280) 2.314 11.982 ( -0.309 0.000 0.378) 0.488 12.000 ( -16.715 0.000 0.886) 16.738 12.062 ( -17.628 0.000 -4.760) 18.259 12.771 ( 7.734 0.000 0.389) 7.744 12.793 ( 7.296 0.000 -1.730) 7.498 14.533 ( 2.175 0.000 1.497) 2.641 14.553 ( 2.326 0.000 -0.338) 2.351 16.051 ( -0.292 0.000 4.299) 4.309 16.126 ( -2.399 0.000 -2.849) 3.724 17.186 ( -0.449 0.000 -2.038) 2.087 17.232 ( -2.009 0.000 -5.870) 6.204 18.983 ( 3.217 0.000 4.469) 5.507 19.012 ( 2.910 0.000 1.794) 3.418 20.403 ( -1.780 0.000 2.371) 2.965 20.464 ( -3.120 0.000 -3.320) 4.556 ======================= Grid point 302 (99/120) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -1.682 0.000 4.403) 4.714 1.859 ( 1.682 0.000 4.403) 4.714 2.286 ( -1.535 0.000 9.634) 9.755 2.286 ( 1.535 0.000 9.634) 9.755 2.537 ( -1.215 0.000 -1.048) 1.605 2.537 ( 1.215 0.000 -1.048) 1.605 2.828 ( -2.531 0.000 -4.440) 5.111 2.828 ( 2.531 0.000 -4.440) 5.111 4.275 ( -6.599 0.000 6.513) 9.271 4.275 ( 6.599 0.000 6.513) 9.271 4.489 ( -8.032 0.000 -4.318) 9.119 4.489 ( 8.032 0.000 -4.318) 9.119 6.118 ( -0.205 0.000 0.583) 0.618 6.118 ( 0.205 0.000 0.583) 0.618 7.281 ( -5.784 0.000 1.998) 6.119 7.281 ( 5.784 0.000 1.998) 6.119 7.701 ( -0.998 0.000 0.413) 1.080 7.701 ( 0.998 0.000 0.413) 1.080 8.757 ( -0.091 0.000 2.648) 2.649 8.757 ( 0.091 0.000 2.648) 2.649 8.818 ( -3.048 0.000 2.327) 3.835 8.818 ( 3.048 0.000 2.327) 3.835 9.867 ( -0.351 0.000 -5.073) 5.085 9.867 ( 0.351 0.000 -5.073) 5.085 10.042 ( -4.652 0.000 1.843) 5.004 10.042 ( 4.652 0.000 1.843) 5.004 10.340 ( -2.779 0.000 -8.386) 8.835 10.340 ( 2.779 0.000 -8.386) 8.835 11.102 ( -3.516 0.000 -0.640) 3.574 11.102 ( 3.516 0.000 -0.640) 3.574 11.454 ( -1.133 0.000 0.262) 1.163 11.454 ( 1.133 0.000 0.262) 1.163 11.781 ( -2.274 0.000 -2.747) 3.566 11.781 ( 2.274 0.000 -2.747) 3.566 11.973 ( -0.494 0.000 1.257) 1.351 11.973 ( 0.494 0.000 1.257) 1.351 12.870 ( -0.619 0.000 -0.535) 0.818 12.870 ( 0.619 0.000 -0.535) 0.818 14.575 ( -0.768 0.000 0.649) 1.005 14.575 ( 0.768 0.000 0.649) 1.005 16.069 ( -2.073 0.000 0.026) 2.074 16.069 ( 2.073 0.000 0.026) 2.074 17.192 ( -1.143 0.000 -3.112) 3.316 17.192 ( 1.143 0.000 -3.112) 3.316 19.042 ( -0.964 0.000 3.492) 3.622 19.042 ( 0.964 0.000 3.492) 3.622 20.398 ( -1.762 0.000 -0.796) 1.934 20.398 ( 1.762 0.000 -0.796) 1.934 ======================= Grid point 305 (100/120) ======================= q-point: ( 0.00 0.07 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 0.000 25.974 9.541) 27.671 2.209 ( 0.000 27.359 -0.874) 27.373 2.298 ( 0.000 0.241 12.068) 12.070 2.356 ( 0.000 1.895 6.355) 6.632 2.665 ( 0.000 13.949 1.736) 14.057 2.742 ( 0.000 13.189 -5.186) 14.172 3.135 ( 0.000 2.614 3.704) 4.533 3.210 ( 0.000 2.436 -1.320) 2.771 3.448 ( 0.000 -2.899 0.302) 2.915 3.540 ( 0.000 0.665 -8.356) 8.383 4.864 ( 0.000 -3.526 4.482) 5.703 4.959 ( 0.000 -7.073 -3.000) 7.682 6.279 ( 0.000 14.380 1.623) 14.471 6.280 ( 0.000 15.450 1.513) 15.524 7.133 ( 0.000 1.816 14.688) 14.800 7.431 ( 0.000 -3.061 -11.365) 11.771 7.909 ( 0.000 20.586 0.199) 20.586 7.956 ( 0.000 18.335 -4.665) 18.919 8.571 ( 0.000 -4.554 6.299) 7.773 8.605 ( 0.000 -1.664 1.871) 2.504 8.995 ( 0.000 11.874 8.573) 14.645 9.061 ( 0.000 15.382 3.166) 15.704 9.584 ( 0.000 -16.854 -5.680) 17.785 9.586 ( 0.000 -17.884 -5.640) 18.753 9.976 ( 0.000 -5.153 -3.563) 6.265 10.062 ( 0.000 -4.728 -11.603) 12.530 10.357 ( 0.000 8.834 4.063) 9.723 10.466 ( 0.000 11.635 -5.657) 12.937 10.721 ( 0.000 -3.902 6.443) 7.532 10.859 ( 0.000 -8.450 -5.720) 10.204 11.628 ( 0.000 11.520 -0.586) 11.535 11.634 ( 0.000 13.243 -0.003) 13.243 11.975 ( 0.000 2.200 2.344) 3.215 11.995 ( 0.000 1.343 0.022) 1.343 12.315 ( 0.000 4.144 -1.502) 4.408 12.367 ( 0.000 1.117 -4.262) 4.406 12.636 ( 0.000 1.599 -0.196) 1.611 12.650 ( 0.000 4.116 -0.748) 4.183 14.549 ( 0.000 3.543 1.494) 3.845 14.569 ( 0.000 5.025 -0.354) 5.038 16.040 ( 0.000 -1.864 6.406) 6.672 16.149 ( 0.000 -0.681 -3.850) 3.910 17.155 ( 0.000 -4.024 -1.999) 4.493 17.221 ( 0.000 -3.748 -7.521) 8.403 18.894 ( 0.000 -4.668 4.134) 6.235 18.919 ( 0.000 -4.717 1.694) 5.012 20.297 ( 0.000 -13.296 2.369) 13.505 20.343 ( 0.000 -15.410 -1.970) 15.535 ======================= Grid point 306 (101/120) ======================= q-point: ( 0.25 0.07 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 0.625 24.757 8.102) 26.057 2.171 ( -2.386 22.815 2.324) 23.057 2.266 ( -1.883 -0.382 11.190) 11.353 2.337 ( -2.633 2.891 4.283) 5.800 2.684 ( 2.268 14.543 1.112) 14.761 2.744 ( 0.360 14.611 -3.974) 15.146 2.949 ( -7.902 6.878 0.756) 10.503 3.026 ( -9.482 5.532 -5.395) 12.232 3.792 ( 21.255 -4.399 2.265) 21.823 3.853 ( 20.036 -2.554 -2.321) 20.331 4.715 ( -12.474 -3.505 3.125) 13.329 4.792 ( -13.844 -6.070 -2.560) 15.332 6.277 ( -0.034 14.796 1.771) 14.902 6.280 ( -0.056 15.003 1.644) 15.093 7.169 ( 3.000 0.794 10.159) 10.623 7.369 ( -4.703 -2.162 -7.818) 9.376 7.922 ( 1.869 19.705 2.625) 19.967 7.984 ( 0.973 23.419 -2.558) 23.579 8.591 ( 1.202 -3.897 3.708) 5.512 8.611 ( 0.510 -5.664 1.324) 5.839 8.992 ( 0.143 11.251 7.117) 13.314 9.055 ( -1.157 12.652 1.721) 12.821 9.573 ( -0.170 -16.628 -5.105) 17.395 9.587 ( -0.110 -16.790 -6.431) 17.980 10.049 ( 7.430 -2.746 0.478) 7.936 10.185 ( 7.175 -5.585 -11.322) 14.521 10.370 ( 0.432 10.043 0.451) 10.063 10.419 ( -3.323 12.621 -3.637) 13.549 10.781 ( 4.382 -9.041 3.468) 10.629 10.863 ( 0.579 -10.973 -3.815) 11.632 11.621 ( 0.401 11.369 2.460) 11.639 11.668 ( 2.639 14.681 -1.863) 15.032 11.971 ( -1.142 1.634 2.833) 3.464 11.995 ( -0.229 1.846 0.508) 1.929 12.079 ( -15.746 3.790 -4.612) 16.840 12.088 ( -14.373 7.213 -3.091) 16.376 12.786 ( 6.823 1.803 -0.125) 7.058 12.795 ( 6.991 0.516 -1.107) 7.097 14.578 ( 2.354 3.934 1.881) 4.956 14.606 ( 2.209 4.728 -0.661) 5.261 16.041 ( 0.368 -0.969 4.664) 4.777 16.124 ( -2.070 -0.213 -3.147) 3.773 17.143 ( -0.624 -4.278 -1.964) 4.749 17.191 ( -2.237 -4.052 -5.981) 7.563 18.932 ( 2.967 -4.985 4.437) 7.303 18.960 ( 2.662 -5.088 1.847) 6.032 20.266 ( -1.804 -13.434 2.102) 13.717 20.314 ( -2.525 -14.505 -2.291) 14.900 ======================= Grid point 307 (102/120) ======================= q-point: (-0.50 0.07 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -1.263 21.864 5.515) 22.584 2.129 ( 1.263 21.864 5.515) 22.584 2.264 ( -2.266 0.350 7.045) 7.409 2.264 ( 2.266 0.350 7.045) 7.409 2.747 ( -1.402 18.611 -0.973) 18.689 2.747 ( 1.402 18.611 -0.973) 18.689 2.875 ( -2.459 5.909 -3.854) 7.471 2.875 ( 2.459 5.909 -3.854) 7.471 4.200 ( -4.411 -6.495 4.760) 9.181 4.200 ( 4.411 -6.495 4.760) 9.181 4.460 ( -4.938 -2.559 -3.355) 6.495 4.460 ( 4.938 -2.559 -3.355) 6.495 6.278 ( -0.065 14.897 1.810) 15.007 6.278 ( 0.065 14.897 1.810) 15.007 7.258 ( -4.743 -0.884 0.964) 4.920 7.258 ( 4.743 -0.884 0.964) 4.920 7.973 ( -1.869 23.658 1.726) 23.794 7.973 ( 1.869 23.658 1.726) 23.794 8.612 ( -0.593 -6.351 1.228) 6.496 8.612 ( 0.593 -6.351 1.228) 6.496 9.014 ( -1.841 10.521 3.897) 11.370 9.014 ( 1.841 10.521 3.897) 11.370 9.580 ( -0.488 -16.331 -6.585) 17.615 9.580 ( 0.488 -16.331 -6.585) 17.615 10.236 ( -5.803 -2.756 -1.119) 6.522 10.236 ( 5.803 -2.756 -1.119) 6.522 10.361 ( -1.897 11.551 -4.631) 12.588 10.361 ( 1.897 11.551 -4.631) 12.588 10.865 ( -1.787 -14.321 -0.229) 14.434 10.865 ( 1.787 -14.321 -0.229) 14.434 11.697 ( -5.704 14.316 2.461) 15.605 11.697 ( 5.704 14.316 2.461) 15.605 11.825 ( -3.378 6.536 -5.428) 9.143 11.825 ( 3.378 6.536 -5.428) 9.143 11.995 ( -0.106 2.746 0.409) 2.778 11.995 ( 0.106 2.746 0.409) 2.778 12.871 ( -0.358 0.436 -0.505) 0.757 12.871 ( 0.358 0.436 -0.505) 0.757 14.624 ( -0.956 4.350 0.743) 4.516 14.624 ( 0.956 4.350 0.743) 4.516 16.070 ( -2.225 0.131 0.133) 2.233 16.070 ( 2.225 0.131 0.133) 2.233 17.147 ( -1.203 -4.469 -3.187) 5.619 17.147 ( 1.203 -4.469 -3.187) 5.619 18.987 ( -0.926 -5.393 3.497) 6.494 18.987 ( 0.926 -5.393 3.497) 6.494 20.258 ( -1.498 -13.568 -0.500) 13.659 20.258 ( 1.498 -13.568 -0.500) 13.659 ======================= Grid point 310 (103/120) ======================= q-point: ( 0.00 0.13 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 0.000 2.060 11.438) 11.622 2.407 ( 0.000 3.238 2.680) 4.204 2.586 ( 0.000 14.815 14.256) 20.560 2.785 ( 0.000 16.805 -5.043) 17.545 2.907 ( 0.000 10.431 0.264) 10.434 2.933 ( 0.000 10.712 -2.332) 10.963 3.332 ( 0.000 13.620 2.404) 13.830 3.368 ( 0.000 20.002 -2.026) 20.104 3.540 ( 0.000 15.386 -1.212) 15.433 3.632 ( 0.000 11.658 -9.006) 14.731 4.786 ( 0.000 -3.630 1.447) 3.907 4.811 ( 0.000 -6.811 -0.395) 6.822 6.624 ( 0.000 18.751 5.150) 19.446 6.655 ( 0.000 20.928 2.338) 21.058 7.192 ( 0.000 4.098 11.204) 11.930 7.372 ( 0.000 -2.845 -4.631) 5.435 8.253 ( 0.000 9.376 -1.688) 9.527 8.277 ( 0.000 11.989 -6.174) 13.485 8.626 ( 0.000 8.702 4.681) 9.881 8.725 ( 0.000 10.847 -2.545) 11.142 9.105 ( 0.000 -0.637 13.808) 13.822 9.196 ( 0.000 -8.093 7.858) 11.280 9.372 ( 0.000 2.556 -9.888) 10.213 9.399 ( 0.000 0.300 -10.080) 10.084 9.789 ( 0.000 -13.056 -2.730) 13.339 9.896 ( 0.000 -9.712 -12.833) 16.094 10.386 ( 0.000 -2.181 2.793) 3.543 10.455 ( 0.000 -4.942 -3.236) 5.907 10.823 ( 0.000 10.207 6.368) 12.031 10.973 ( 0.000 11.536 -8.017) 14.048 11.826 ( 0.000 5.058 4.273) 6.621 11.846 ( 0.000 8.225 0.910) 8.275 12.065 ( 0.000 6.430 1.163) 6.535 12.066 ( 0.000 7.797 2.649) 8.234 12.418 ( 0.000 5.079 -2.350) 5.596 12.479 ( 0.000 11.865 -11.579) 16.579 12.721 ( 0.000 8.822 4.863) 10.074 12.803 ( 0.000 12.102 -2.945) 12.455 14.621 ( 0.000 3.087 2.830) 4.188 14.671 ( 0.000 4.426 -1.876) 4.807 15.988 ( 0.000 -3.259 7.704) 8.365 16.131 ( 0.000 -1.017 -5.561) 5.653 17.040 ( 0.000 -7.392 -1.393) 7.522 17.115 ( 0.000 -6.719 -7.695) 10.216 18.768 ( 0.000 -7.758 4.204) 8.824 18.792 ( 0.000 -7.741 1.748) 7.936 19.938 ( 0.000 -24.160 1.218) 24.190 19.940 ( 0.000 -21.798 0.761) 21.811 ======================= Grid point 311 (104/120) ======================= q-point: ( 0.25 0.13 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -3.153 1.297 11.082) 11.595 2.337 ( -5.225 2.285 3.709) 6.803 2.564 ( -1.225 13.465 7.338) 15.383 2.639 ( -6.473 11.308 -1.817) 13.155 2.985 ( 5.821 17.799 2.164) 18.851 3.070 ( 6.680 19.681 -4.457) 21.256 3.257 ( -5.950 21.145 -0.087) 21.967 3.303 ( -2.931 22.295 -2.952) 22.680 3.759 ( 15.978 5.294 1.938) 16.943 3.845 ( 15.442 3.996 -5.204) 16.778 4.629 ( -12.663 -4.673 1.979) 13.642 4.674 ( -11.683 -4.852 -1.819) 12.781 6.629 ( 0.424 19.165 5.145) 19.848 6.650 ( -0.347 20.742 3.342) 21.012 7.209 ( 1.681 3.319 7.002) 7.929 7.342 ( -2.731 -0.682 -4.694) 5.473 8.232 ( 3.607 8.288 7.677) 11.859 8.445 ( 8.450 11.631 -11.412) 18.355 8.564 ( -5.926 8.147 6.751) 12.127 8.690 ( -2.616 10.240 -4.415) 11.454 9.095 ( -0.286 -1.341 12.658) 12.732 9.167 ( -2.334 -4.229 8.854) 10.086 9.373 ( 0.097 0.023 -12.713) 12.714 9.388 ( -0.725 -0.863 -11.914) 11.967 9.883 ( 7.945 -11.696 0.085) 14.139 10.001 ( 5.968 -11.177 -9.852) 16.050 10.442 ( 5.053 -1.390 2.284) 5.717 10.507 ( 4.771 -2.286 -3.601) 6.400 10.769 ( -4.840 7.186 3.681) 9.413 10.873 ( -7.904 7.737 -6.161) 12.661 11.780 ( -1.995 4.196 7.573) 8.884 11.911 ( 3.095 5.566 -3.546) 7.289 12.064 ( -0.313 7.884 2.819) 8.379 12.079 ( 1.446 9.319 -1.023) 9.486 12.185 ( -12.597 10.569 3.148) 16.742 12.373 ( -8.270 19.119 -12.314) 24.198 12.833 ( 5.788 4.339 1.387) 7.365 12.870 ( 3.515 7.493 -1.799) 8.470 14.657 ( 2.768 3.377 2.719) 5.144 14.702 ( 1.831 4.161 -1.446) 4.770 16.014 ( 2.191 -1.757 5.784) 6.430 16.120 ( -1.115 -0.088 -4.144) 4.292 17.021 ( -1.144 -7.896 -1.643) 8.146 17.077 ( -2.929 -7.285 -6.338) 10.091 18.798 ( 2.332 -8.220 4.370) 9.597 18.823 ( 1.977 -8.395 2.007) 8.855 19.903 ( -1.492 -22.310 1.994) 22.448 19.934 ( -1.419 -22.500 -0.878) 22.562 ======================= Grid point 312 (105/120) ======================= q-point: (-0.50 0.13 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -2.113 1.171 7.402) 7.786 2.241 ( 2.113 1.171 7.402) 7.786 2.557 ( -1.181 12.516 1.123) 12.621 2.557 ( 1.181 12.516 1.123) 12.621 3.121 ( -5.803 19.660 2.155) 20.612 3.121 ( 5.803 19.660 2.155) 20.612 3.208 ( -5.142 25.853 -4.779) 26.789 3.208 ( 5.142 25.853 -4.779) 26.789 4.099 ( -5.291 -0.690 2.209) 5.775 4.099 ( 5.291 -0.690 2.209) 5.775 4.397 ( -4.288 -3.616 -2.486) 6.135 4.397 ( 4.288 -3.616 -2.486) 6.135 6.640 ( -0.521 20.054 4.655) 20.594 6.640 ( 0.521 20.054 4.655) 20.594 7.267 ( -3.350 1.902 -0.249) 3.860 7.267 ( 3.350 1.902 -0.249) 3.860 8.386 ( -8.750 7.265 10.219) 15.290 8.386 ( 8.750 7.265 10.219) 15.290 8.604 ( -5.396 10.749 -9.512) 15.334 8.604 ( 5.396 10.749 -9.512) 15.334 9.113 ( -1.948 -1.517 10.663) 10.945 9.113 ( 1.948 -1.517 10.663) 10.945 9.377 ( -0.300 -1.691 -13.514) 13.622 9.377 ( 0.300 -1.691 -13.514) 13.622 10.040 ( -3.545 -12.140 -2.559) 12.903 10.040 ( 3.545 -12.140 -2.559) 12.903 10.601 ( -6.981 6.954 0.625) 9.874 10.601 ( 6.981 6.954 0.625) 9.874 10.675 ( -7.443 -2.853 -3.580) 8.738 10.675 ( 7.443 -2.853 -3.580) 8.738 11.827 ( -7.118 2.350 2.824) 8.010 11.827 ( 7.118 2.350 2.824) 8.010 12.051 ( -0.706 9.778 3.507) 10.412 12.051 ( 0.706 9.778 3.507) 10.412 12.193 ( -6.956 19.916 -8.281) 22.663 12.193 ( 6.956 19.916 -8.281) 22.663 12.907 ( -0.636 3.971 -0.501) 4.053 12.907 ( 0.636 3.971 -0.501) 4.053 14.712 ( -1.329 3.713 0.850) 4.035 14.712 ( 1.329 3.713 0.850) 4.035 16.075 ( -2.803 0.399 0.503) 2.875 16.075 ( 2.803 0.399 0.503) 2.875 17.020 ( -1.439 -8.206 -3.454) 9.019 17.020 ( 1.439 -8.206 -3.454) 9.019 18.841 ( -0.806 -8.885 3.514) 9.589 18.841 ( 0.806 -8.885 3.514) 9.589 19.897 ( -1.150 -21.804 0.028) 21.834 19.897 ( 1.150 -21.804 0.028) 21.834 ======================= Grid point 315 (106/120) ======================= q-point: ( 0.00 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 0.000 4.827 8.658) 9.913 2.477 ( 0.000 3.599 -0.765) 3.679 2.641 ( 0.000 -3.694 14.424) 14.890 2.772 ( 0.000 -4.635 -2.023) 5.057 3.044 ( 0.000 1.932 -1.648) 2.540 3.163 ( 0.000 4.622 -9.056) 10.167 3.831 ( 0.000 30.817 0.654) 30.824 3.852 ( 0.000 24.567 -1.863) 24.637 3.926 ( 0.000 18.835 1.011) 18.862 4.006 ( 0.000 23.222 -5.991) 23.982 4.751 ( 0.000 3.576 1.299) 3.805 4.769 ( 0.000 4.172 -0.175) 4.176 6.956 ( 0.000 13.556 9.224) 16.396 7.057 ( 0.000 18.467 0.859) 18.487 7.288 ( 0.000 5.220 6.502) 8.338 7.325 ( 0.000 -1.633 1.667) 2.334 8.394 ( 0.000 8.314 3.261) 8.931 8.489 ( 0.000 10.671 -8.038) 13.360 8.623 ( 0.000 -7.125 1.937) 7.383 8.755 ( 0.000 -7.411 -8.705) 11.433 9.095 ( 0.000 -3.693 11.371) 11.956 9.233 ( 0.000 10.794 8.438) 13.700 9.361 ( 0.000 -9.120 -11.701) 14.835 9.423 ( 0.000 3.917 -6.797) 7.845 9.597 ( 0.000 -2.141 0.793) 2.283 9.774 ( 0.000 -3.102 -15.176) 15.490 10.357 ( 0.000 -0.719 0.874) 1.132 10.403 ( 0.000 -0.832 -3.399) 3.499 10.988 ( 0.000 5.311 5.457) 7.615 11.119 ( 0.000 2.615 -6.899) 7.378 11.824 ( 0.000 -4.385 6.775) 8.071 11.898 ( 0.000 -2.726 -0.972) 2.894 12.262 ( 0.000 13.043 5.307) 14.081 12.316 ( 0.000 16.744 0.272) 16.746 12.597 ( 0.000 12.639 -0.418) 12.646 12.702 ( 0.000 10.738 -10.527) 15.037 13.041 ( 0.000 21.647 3.559) 21.938 13.128 ( 0.000 19.782 -3.473) 20.084 14.657 ( 0.000 0.500 3.704) 3.737 14.727 ( 0.000 1.193 -2.874) 3.112 15.919 ( 0.000 -3.478 9.379) 10.003 16.113 ( 0.000 -0.665 -8.362) 8.388 16.874 ( 0.000 -9.051 0.018) 9.051 16.967 ( 0.000 -7.977 -7.820) 11.170 18.599 ( 0.000 -9.064 4.421) 10.084 18.623 ( 0.000 -9.133 1.935) 9.335 19.440 ( 0.000 -25.166 3.090) 25.355 19.476 ( 0.000 -24.186 -0.755) 24.197 ======================= Grid point 316 (107/120) ======================= q-point: ( 0.25 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -3.397 4.472 8.667) 10.328 2.393 ( -5.573 3.531 0.925) 6.662 2.652 ( 0.931 -0.137 6.754) 6.819 2.738 ( -2.862 1.470 -2.866) 4.309 3.151 ( 9.060 -1.077 3.455) 9.756 3.300 ( 7.012 1.849 -7.964) 10.771 3.789 ( -2.065 27.039 1.385) 27.153 3.842 ( -0.238 30.006 -2.488) 30.110 4.043 ( 6.209 15.739 -0.723) 16.935 4.081 ( 9.427 19.808 -3.636) 22.236 4.598 ( -12.117 5.077 2.622) 13.397 4.649 ( -10.501 5.007 -2.100) 11.821 6.972 ( 1.364 14.217 9.102) 16.936 7.044 ( -1.129 17.705 4.029) 18.193 7.291 ( 1.011 4.113 2.679) 5.011 7.345 ( 0.531 1.518 -0.642) 1.732 8.348 ( -0.612 6.262 6.266) 8.879 8.503 ( -2.318 2.390 -4.347) 5.476 8.635 ( 1.189 -6.220 -0.874) 6.392 8.717 ( -2.187 -6.894 -4.849) 8.707 9.128 ( 2.870 3.634 8.327) 9.528 9.243 ( -0.180 9.549 7.993) 12.454 9.366 ( 1.075 -2.185 -12.447) 12.683 9.428 ( -0.380 4.128 -9.024) 9.931 9.702 ( 7.924 -4.807 0.601) 9.287 9.831 ( 3.863 -5.479 -10.787) 12.701 10.413 ( 5.408 -1.133 0.936) 5.604 10.466 ( 5.419 -1.552 -4.224) 7.044 10.892 ( -8.196 3.707 2.654) 9.379 10.980 ( -10.590 2.054 -5.728) 12.214 11.787 ( -1.338 -3.156 7.727) 8.453 11.903 ( -1.500 -4.391 -3.113) 5.588 12.267 ( 0.515 13.099 4.927) 14.004 12.354 ( -0.398 16.327 -4.127) 16.845 12.487 ( -0.407 17.421 8.638) 19.449 12.760 ( -1.325 17.751 -16.013) 23.943 13.015 ( -0.133 15.083 5.475) 16.046 13.105 ( -1.768 16.057 -3.320) 16.492 14.697 ( 2.941 0.546 3.225) 4.399 14.753 ( 1.407 0.885 -1.959) 2.569 15.977 ( 4.711 -1.804 7.498) 9.037 16.125 ( 0.372 0.636 -5.953) 5.999 16.842 ( -1.990 -9.790 -0.724) 10.016 16.916 ( -3.932 -8.525 -6.952) 11.682 18.620 ( 1.589 -9.521 4.357) 10.590 18.641 ( 1.121 -9.762 2.322) 10.096 19.431 ( -0.356 -24.263 2.443) 24.388 19.466 ( -0.976 -24.087 -1.001) 24.127 ======================= Grid point 317 (108/120) ======================= q-point: (-0.50 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( -2.048 4.613 5.075) 7.158 2.297 ( 2.048 4.613 5.075) 7.158 2.682 ( -1.872 2.598 0.037) 3.202 2.682 ( 1.872 2.598 0.037) 3.202 3.330 ( -4.755 -0.035 0.461) 4.777 3.330 ( 4.755 -0.035 0.461) 4.777 3.801 ( -2.520 29.489 -2.970) 29.745 3.801 ( 2.520 29.489 -2.970) 29.745 4.280 ( -13.725 12.850 3.116) 19.058 4.280 ( 13.725 12.850 3.116) 19.058 4.357 ( -13.547 7.351 -3.950) 15.911 4.357 ( 13.547 7.351 -3.950) 15.911 7.010 ( -1.797 15.880 7.782) 17.776 7.010 ( 1.797 15.880 7.782) 17.776 7.329 ( -1.756 3.953 -1.521) 4.585 7.329 ( 1.756 3.953 -1.521) 4.585 8.402 ( -4.772 0.503 4.664) 6.692 8.402 ( 4.772 0.503 4.664) 6.692 8.673 ( -1.923 -6.437 -3.433) 7.545 8.673 ( 1.923 -6.437 -3.433) 7.545 9.202 ( -3.161 8.667 6.249) 11.142 9.202 ( 3.161 8.667 6.249) 11.142 9.402 ( -1.690 3.246 -11.413) 11.985 9.402 ( 1.690 3.246 -11.413) 11.985 9.852 ( -3.410 -6.050 -2.649) 7.433 9.852 ( 3.410 -6.050 -2.649) 7.433 10.569 ( -3.723 -2.892 -1.107) 4.843 10.569 ( 3.723 -2.892 -1.107) 4.843 10.750 ( -4.456 2.470 -3.653) 6.269 10.750 ( 4.456 2.470 -3.653) 6.269 11.820 ( -4.163 -3.185 1.885) 5.571 11.820 ( 4.163 -3.185 1.885) 5.571 12.292 ( -2.040 14.511 4.758) 15.406 12.292 ( 2.040 14.511 4.758) 15.406 12.625 ( -8.372 21.877 -5.907) 24.157 12.625 ( 8.372 21.877 -5.907) 24.157 13.057 ( -2.523 11.451 -0.856) 11.757 13.057 ( 2.523 11.451 -0.856) 11.757 14.754 ( -1.520 0.492 0.847) 1.809 14.754 ( 1.520 0.492 0.847) 1.809 16.089 ( -4.002 1.072 1.254) 4.329 16.089 ( 4.002 1.072 1.254) 4.329 16.836 ( -2.093 -9.962 -4.038) 10.952 16.836 ( 2.093 -9.962 -4.038) 10.952 18.650 ( -0.621 -10.193 3.576) 10.820 18.650 ( 0.621 -10.193 3.576) 10.820 19.439 ( -1.085 -23.658 0.209) 23.684 19.439 ( 1.085 -23.658 0.209) 23.684 ======================= Grid point 320 (109/120) ======================= q-point: ( 0.00 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 0.000 7.159 3.920) 8.162 2.526 ( 0.000 -0.612 3.043) 3.104 2.582 ( 0.000 0.795 8.546) 8.583 2.685 ( 0.000 -3.667 -1.707) 4.044 3.059 ( 0.000 0.090 -3.310) 3.311 3.169 ( 0.000 -2.381 -11.538) 11.781 4.026 ( 0.000 -3.204 2.412) 4.010 4.071 ( 0.000 -1.025 -2.024) 2.269 4.473 ( 0.000 29.984 3.416) 30.178 4.577 ( 0.000 30.346 -6.326) 30.998 5.020 ( 0.000 20.950 0.521) 20.956 5.022 ( 0.000 19.886 0.566) 19.894 7.146 ( 0.000 6.185 10.190) 11.920 7.275 ( 0.000 1.183 -0.949) 1.517 7.361 ( 0.000 1.176 4.111) 4.276 7.378 ( 0.000 8.276 1.434) 8.399 8.515 ( 0.000 -0.912 4.298) 4.394 8.600 ( 0.000 -1.869 -2.221) 2.902 8.617 ( 0.000 12.000 1.838) 12.140 8.678 ( 0.000 0.970 -5.972) 6.050 9.053 ( 0.000 5.626 2.493) 6.154 9.162 ( 0.000 -6.947 -6.443) 9.475 9.380 ( 0.000 3.479 4.864) 5.980 9.519 ( 0.000 3.738 -4.125) 5.567 9.621 ( 0.000 2.368 -4.336) 4.940 9.707 ( 0.000 -4.328 -14.586) 15.215 10.351 ( 0.000 0.117 0.667) 0.677 10.400 ( 0.000 0.214 -4.035) 4.040 11.025 ( 0.000 -1.181 2.681) 2.930 11.097 ( 0.000 -4.011 -3.972) 5.645 11.684 ( 0.000 -9.287 6.738) 11.474 11.772 ( 0.000 -9.304 -1.788) 9.475 12.542 ( 0.000 14.383 9.471) 17.221 12.663 ( 0.000 16.857 -0.598) 16.868 12.884 ( 0.000 15.448 -1.526) 15.524 12.935 ( 0.000 12.905 -7.687) 15.021 13.470 ( 0.000 20.012 2.419) 20.158 13.531 ( 0.000 19.643 -2.596) 19.814 14.647 ( 0.000 -1.294 4.272) 4.463 14.727 ( 0.000 -0.818 -3.296) 3.396 15.860 ( 0.000 -2.288 10.710) 10.952 16.106 ( 0.000 -0.094 -11.742) 11.743 16.700 ( 0.000 -8.063 2.458) 8.430 16.815 ( 0.000 -7.045 -7.547) 10.324 18.417 ( 0.000 -9.202 4.624) 10.299 18.436 ( 0.000 -9.740 2.620) 10.086 18.971 ( 0.000 -21.769 2.364) 21.897 19.009 ( 0.000 -22.537 -1.627) 22.595 ======================= Grid point 321 (110/120) ======================= q-point: ( 0.25 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( -2.698 5.475 7.123) 9.381 2.478 ( -3.682 5.003 0.685) 6.250 2.639 ( 3.294 -0.097 5.428) 6.350 2.737 ( 0.811 -1.146 -4.771) 4.973 3.085 ( 5.213 -3.875 2.464) 6.947 3.255 ( 3.726 -4.536 -11.218) 12.661 4.007 ( -0.043 -2.749 3.320) 4.311 4.089 ( 0.034 -3.036 -4.197) 5.180 4.505 ( 2.952 29.378 2.820) 29.660 4.590 ( 1.294 29.173 -5.151) 29.653 4.914 ( -7.446 23.187 1.846) 24.423 4.944 ( -6.598 21.909 -1.031) 22.904 7.170 ( 2.033 6.114 9.886) 11.800 7.281 ( -1.191 4.216 1.696) 4.697 7.339 ( 1.482 2.115 3.609) 4.438 7.418 ( 1.028 4.408 -1.748) 4.852 8.508 ( -4.182 8.581 1.061) 9.605 8.526 ( -0.509 -2.096 1.886) 2.865 8.566 ( -5.778 3.898 -2.028) 7.259 8.591 ( -2.072 -3.314 -1.740) 4.278 9.169 ( 8.094 2.751 4.488) 9.655 9.286 ( 3.966 1.647 -4.695) 6.362 9.427 ( 4.361 3.623 0.543) 5.696 9.528 ( 0.165 4.106 -4.673) 6.222 9.675 ( 5.036 0.926 -3.844) 6.403 9.743 ( 3.166 -4.391 -11.578) 12.781 10.398 ( 4.550 -0.347 0.276) 4.572 10.442 ( 3.856 -0.860 -4.073) 5.674 10.906 ( -9.903 -1.964 0.965) 10.142 10.963 ( -10.376 -3.202 -3.987) 11.568 11.668 ( -0.146 -8.529 6.191) 10.540 11.763 ( -1.675 -9.501 -2.680) 10.013 12.549 ( 0.901 14.523 7.980) 16.596 12.683 ( -2.964 16.110 -4.638) 17.024 12.824 ( 4.715 16.059 8.895) 18.954 13.070 ( 4.788 14.429 -13.056) 20.040 13.374 ( -6.493 18.600 4.729) 20.261 13.461 ( -5.267 18.493 -3.458) 19.537 14.684 ( 2.641 -1.715 3.503) 4.710 14.744 ( 0.747 -1.489 -2.129) 2.703 15.949 ( 7.226 -0.851 9.154) 11.693 16.147 ( 2.367 1.573 -8.516) 8.978 16.651 ( -3.159 -9.036 1.350) 9.667 16.756 ( -4.790 -7.267 -7.537) 11.513 18.429 ( 0.925 -9.622 4.423) 10.630 18.444 ( 0.499 -10.056 2.916) 10.482 18.973 ( 0.289 -21.524 1.604) 21.585 19.004 ( -0.536 -22.254 -1.441) 22.307 ======================= Grid point 322 (111/120) ======================= q-point: (-0.50 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( -1.589 6.569 4.509) 8.125 2.413 ( 1.589 6.569 4.509) 8.125 2.706 ( -2.590 0.392 -1.174) 2.870 2.706 ( 2.590 0.392 -1.174) 2.870 3.237 ( -5.508 -6.869 -2.134) 9.060 3.237 ( 5.508 -6.869 -2.134) 9.060 4.049 ( -3.054 -3.678 -2.136) 5.236 4.049 ( 3.054 -3.678 -2.136) 5.236 4.593 ( -3.183 26.777 -0.141) 26.966 4.593 ( 3.183 26.777 -0.141) 26.966 4.813 ( -1.994 26.338 -0.362) 26.416 4.813 ( 1.994 26.338 -0.362) 26.416 7.228 ( -2.823 5.805 8.118) 10.372 7.228 ( 2.823 5.805 8.118) 10.372 7.400 ( -2.498 2.604 -2.108) 4.179 7.400 ( 2.498 2.604 -2.108) 4.179 8.463 ( -1.242 5.218 -0.425) 5.380 8.463 ( 1.242 5.218 -0.425) 5.380 8.556 ( -1.469 -2.420 0.955) 2.987 8.556 ( 1.469 -2.420 0.955) 2.987 9.294 ( -2.586 3.343 1.021) 4.348 9.294 ( 2.586 3.343 1.021) 4.348 9.507 ( -2.164 4.721 -4.689) 6.997 9.507 ( 2.164 4.721 -4.689) 6.997 9.781 ( -1.987 -1.974 -4.660) 5.437 9.781 ( 1.987 -1.974 -4.660) 5.437 10.525 ( -2.191 -1.488 -1.420) 3.005 10.525 ( 2.191 -1.488 -1.420) 3.005 10.742 ( -3.258 -2.748 -3.765) 5.687 10.742 ( 3.258 -2.748 -3.765) 5.687 11.702 ( -2.895 -8.577 1.223) 9.135 11.702 ( 2.895 -8.577 1.223) 9.135 12.593 ( -3.224 15.334 4.918) 16.423 12.593 ( 3.224 15.334 4.918) 16.423 13.014 ( -8.906 16.750 -2.965) 19.201 13.014 ( 8.906 16.750 -2.965) 19.201 13.343 ( -4.122 16.525 -1.324) 17.082 13.343 ( 4.122 16.525 -1.324) 17.082 14.736 ( -1.578 -2.172 0.837) 2.812 14.736 ( 1.578 -2.172 0.837) 2.812 16.120 ( -5.865 2.049 2.537) 6.711 16.120 ( 5.865 2.049 2.537) 6.711 16.644 ( -3.541 -8.945 -5.043) 10.862 16.644 ( 3.541 -8.945 -5.043) 10.862 18.446 ( -0.397 -10.203 3.746) 10.876 18.446 ( 0.397 -10.203 3.746) 10.876 18.987 ( -0.834 -21.623 -0.229) 21.641 18.987 ( 0.834 -21.623 -0.229) 21.641 ======================= Grid point 325 (112/120) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 0.000 -0.358 7.375) 7.384 2.609 ( 0.000 -0.186 -5.834) 5.837 2.640 ( 0.000 3.216 2.589) 4.129 2.680 ( 0.000 6.743 2.729) 7.274 3.059 ( 0.000 0.223 -5.170) 5.174 3.097 ( 0.000 -4.468 -9.448) 10.451 3.881 ( 0.000 -9.696 3.936) 10.464 3.957 ( 0.000 -8.837 -3.304) 9.435 5.012 ( 0.000 24.234 4.516) 24.651 5.126 ( 0.000 24.586 -6.084) 25.327 5.437 ( 0.000 19.979 0.979) 20.003 5.444 ( 0.000 19.905 0.236) 19.906 7.217 ( 0.000 0.826 10.865) 10.896 7.276 ( 0.000 -0.435 2.499) 2.537 7.340 ( 0.000 -2.017 -0.744) 2.150 7.450 ( 0.000 -1.374 -8.027) 8.143 8.567 ( 0.000 4.923 5.008) 7.023 8.582 ( 0.000 -1.241 3.829) 4.026 8.713 ( 0.000 7.476 -0.189) 7.478 8.799 ( 0.000 6.041 -5.436) 8.127 9.159 ( 0.000 5.075 4.625) 6.867 9.311 ( 0.000 15.689 -6.099) 16.832 9.432 ( 0.000 3.733 1.519) 4.031 9.552 ( 0.000 0.290 -2.726) 2.742 9.609 ( 0.000 -4.794 -11.185) 12.169 9.666 ( 0.000 2.681 -7.508) 7.972 10.365 ( 0.000 1.382 0.593) 1.504 10.411 ( 0.000 1.072 -4.067) 4.206 10.961 ( 0.000 -4.762 0.363) 4.776 10.984 ( 0.000 -6.934 -1.495) 7.094 11.468 ( 0.000 -12.381 5.437) 13.522 11.545 ( 0.000 -13.459 -1.519) 13.544 12.808 ( 0.000 12.151 10.661) 16.165 12.948 ( 0.000 11.536 0.005) 11.536 13.173 ( 0.000 13.147 -2.013) 13.300 13.196 ( 0.000 12.859 -7.052) 14.666 13.801 ( 0.000 13.194 4.017) 13.792 13.871 ( 0.000 14.274 -2.686) 14.524 14.617 ( 0.000 -1.535 4.929) 5.163 14.706 ( 0.000 -1.198 -3.438) 3.641 15.833 ( 0.000 -0.464 10.743) 10.753 16.098 ( 0.000 -1.242 -13.600) 13.656 16.574 ( 0.000 -4.274 4.738) 6.380 16.697 ( 0.000 -4.767 -6.441) 8.013 18.242 ( 0.000 -8.188 4.537) 9.361 18.244 ( 0.000 -9.389 3.809) 10.132 18.586 ( 0.000 -17.116 -0.389) 17.121 18.596 ( 0.000 -19.021 -2.007) 19.127 ======================= Grid point 326 (113/120) ======================= q-point: ( 0.25 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 0.479 2.041 7.381) 7.673 2.580 ( -2.027 4.483 2.585) 5.558 2.677 ( 2.107 1.974 -4.306) 5.184 2.716 ( 1.921 1.358 -2.596) 3.503 3.028 ( 1.100 -1.398 0.553) 1.863 3.156 ( 1.372 -4.748 -10.065) 11.213 3.869 ( -0.082 -9.365 3.425) 9.972 3.951 ( -1.119 -9.444 -4.148) 10.375 5.041 ( 2.579 24.208 3.630) 24.614 5.130 ( 0.361 24.469 -4.680) 24.915 5.368 ( -5.105 20.940 1.110) 21.582 5.383 ( -4.668 20.597 -0.344) 21.122 7.232 ( 1.188 0.275 9.373) 9.452 7.280 ( -0.221 -1.567 2.751) 3.174 7.354 ( 1.814 -1.096 -0.589) 2.199 7.451 ( -0.508 -1.781 -7.161) 7.396 8.547 ( -0.845 2.667 5.311) 6.003 8.594 ( 0.719 5.066 2.064) 5.517 8.659 ( -3.961 7.779 -0.466) 8.742 8.708 ( -4.843 8.940 -5.321) 11.476 9.254 ( 7.465 4.103 8.770) 12.225 9.402 ( 0.240 6.112 -0.422) 6.131 9.498 ( 5.739 6.523 -7.003) 11.159 9.568 ( 0.631 0.797 -5.440) 5.534 9.646 ( 5.929 -4.043 -6.989) 10.017 9.717 ( 3.713 3.254 -6.635) 8.270 10.403 ( 3.906 0.974 -0.118) 4.028 10.437 ( 2.570 0.437 -3.519) 4.379 10.831 ( -10.289 -5.195 0.730) 11.550 10.876 ( -9.048 -5.127 -3.022) 10.829 11.461 ( 0.261 -12.118 4.499) 12.929 11.535 ( -1.332 -13.319 -2.138) 13.555 12.821 ( 1.470 12.637 8.858) 15.502 12.972 ( -2.136 12.693 -5.361) 13.943 13.104 ( 3.556 12.031 9.438) 15.699 13.323 ( 3.999 10.575 -11.055) 15.813 13.705 ( -6.124 14.694 5.528) 16.852 13.798 ( -5.666 15.143 -3.597) 16.564 14.636 ( 1.504 -2.996 3.914) 5.154 14.702 ( -0.645 -2.701 -2.210) 3.549 15.945 ( 9.066 0.489 9.605) 13.217 16.175 ( 5.373 0.720 -11.207) 12.449 16.504 ( -5.106 -5.392 4.636) 8.754 16.637 ( -5.199 -4.755 -7.249) 10.109 18.245 ( 0.353 -8.944 4.373) 9.962 18.251 ( 0.342 -8.958 3.680) 9.690 18.588 ( 0.193 -17.343 -0.606) 17.355 18.596 ( -0.008 -18.664 -1.791) 18.750 ======================= Grid point 327 (114/120) ======================= q-point: (-0.50 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( -2.209 4.449 6.287) 8.013 2.530 ( 2.209 4.449 6.287) 8.013 2.719 ( -1.347 1.326 -5.868) 6.165 2.719 ( 1.347 1.326 -5.868) 6.165 3.113 ( -4.605 -4.676 -2.260) 6.941 3.113 ( 4.605 -4.676 -2.260) 6.941 3.902 ( -2.670 -9.537 -1.795) 10.065 3.902 ( 2.670 -9.537 -1.795) 10.065 5.114 ( -2.823 24.088 0.386) 24.256 5.114 ( 2.823 24.088 0.386) 24.256 5.299 ( -0.996 21.807 -0.459) 21.834 5.299 ( 0.996 21.807 -0.459) 21.834 7.262 ( -1.246 -1.137 6.053) 6.283 7.262 ( 1.246 -1.137 6.053) 6.283 7.413 ( -2.739 -1.536 -3.956) 5.051 7.413 ( 2.739 -1.536 -3.956) 5.051 8.561 ( -2.374 6.324 3.595) 7.653 8.561 ( 2.374 6.324 3.595) 7.653 8.638 ( -1.999 8.334 -2.961) 9.068 8.638 ( 1.999 8.334 -2.961) 9.068 9.378 ( -2.742 3.526 4.240) 6.158 9.378 ( 2.742 3.526 4.240) 6.158 9.559 ( -1.455 1.091 -6.409) 6.662 9.559 ( 1.455 1.091 -6.409) 6.662 9.771 ( -1.249 2.026 -4.852) 5.404 9.771 ( 1.249 2.026 -4.852) 5.404 10.516 ( -1.379 0.775 -1.247) 2.014 10.516 ( 1.379 0.775 -1.247) 2.014 10.661 ( -3.689 -5.138 -3.251) 7.111 10.661 ( 3.689 -5.138 -3.251) 7.111 11.491 ( -2.112 -12.513 0.665) 12.707 11.491 ( 2.112 -12.513 0.665) 12.707 12.882 ( -3.887 13.507 4.352) 14.713 12.882 ( 3.887 13.507 4.352) 14.713 13.273 ( -7.911 9.301 -1.060) 12.256 13.273 ( 7.911 9.301 -1.060) 12.256 13.674 ( -3.945 16.268 -0.959) 16.767 13.674 ( 3.945 16.268 -0.959) 16.767 14.674 ( -1.684 -4.059 0.887) 4.483 14.674 ( 1.684 -4.059 0.887) 4.483 16.166 ( -8.204 2.516 4.196) 9.552 16.166 ( 8.204 2.516 4.196) 9.552 16.493 ( -5.883 -6.216 -6.129) 10.526 16.493 ( 5.883 -6.216 -6.129) 10.526 18.253 ( -0.211 -9.112 3.884) 9.907 18.253 ( 0.211 -9.112 3.884) 9.907 18.593 ( -0.243 -17.938 -1.203) 17.980 18.593 ( 0.243 -17.938 -1.203) 17.980 ======================= Grid point 330 (115/120) ======================= q-point: ( 0.00 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 0.000 2.972 3.607) 4.674 2.598 ( 0.000 0.155 -3.812) 3.816 2.682 ( 0.000 0.631 2.456) 2.535 2.804 ( 0.000 2.120 -6.548) 6.882 3.041 ( 0.000 1.581 -2.312) 2.801 3.089 ( 0.000 3.266 -5.050) 6.014 3.676 ( 0.000 -10.501 4.059) 11.259 3.754 ( 0.000 -11.239 -3.340) 11.725 5.429 ( 0.000 17.792 4.839) 18.439 5.537 ( 0.000 16.701 -5.083) 17.457 5.763 ( 0.000 11.670 0.531) 11.682 5.765 ( 0.000 12.450 0.443) 12.458 7.186 ( 0.000 -2.609 6.709) 7.198 7.253 ( 0.000 -2.062 1.135) 2.353 7.317 ( 0.000 -0.771 -2.856) 2.958 7.370 ( 0.000 -5.180 -8.487) 9.942 8.589 ( 0.000 2.374 4.896) 5.441 8.650 ( 0.000 3.139 1.292) 3.394 8.942 ( 0.000 13.609 -0.149) 13.609 8.953 ( 0.000 9.982 -1.930) 10.167 9.224 ( 0.000 1.455 3.343) 3.646 9.415 ( 0.000 -4.212 -13.696) 14.329 9.494 ( 0.000 -0.542 -1.695) 1.779 9.512 ( 0.000 -4.743 -1.482) 4.970 9.735 ( 0.000 16.226 0.281) 16.228 9.806 ( 0.000 12.496 -3.994) 13.119 10.411 ( 0.000 3.248 0.142) 3.251 10.446 ( 0.000 2.367 -3.438) 4.174 10.843 ( 0.000 -6.692 0.187) 6.695 10.857 ( 0.000 -5.256 -1.418) 5.443 11.204 ( 0.000 -13.911 2.956) 14.221 11.252 ( 0.000 -15.723 -0.906) 15.749 13.014 ( 0.000 8.446 9.297) 12.560 13.117 ( 0.000 5.617 1.284) 5.762 13.392 ( 0.000 8.915 -1.889) 9.113 13.419 ( 0.000 9.054 -6.603) 11.206 14.001 ( 0.000 7.482 5.834) 9.487 14.085 ( 0.000 7.233 -2.617) 7.692 14.596 ( 0.000 -0.321 4.881) 4.892 14.681 ( 0.000 -1.381 -3.085) 3.380 15.843 ( 0.000 1.453 8.415) 8.540 16.048 ( 0.000 -3.649 -10.189) 10.823 16.533 ( 0.000 -0.231 3.782) 3.789 16.623 ( 0.000 -2.860 -4.236) 5.111 18.079 ( 0.000 -6.765 4.397) 8.068 18.104 ( 0.000 -5.422 4.108) 6.803 18.269 ( 0.000 -13.598 -2.442) 13.815 18.298 ( 0.000 -11.898 -3.011) 12.274 ======================= Grid point 331 (116/120) ======================= q-point: ( 0.25 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 1.326 2.780 4.111) 5.137 2.636 ( 0.672 1.074 1.038) 1.638 2.660 ( 0.504 -1.102 -3.281) 3.498 2.789 ( -1.442 1.002 -7.605) 7.805 3.049 ( 1.339 4.321 0.367) 4.538 3.115 ( 0.878 1.939 -5.034) 5.465 3.666 ( -0.126 -10.690 3.145) 11.144 3.740 ( -1.458 -11.529 -3.673) 12.187 5.455 ( 2.311 17.485 3.921) 18.067 5.540 ( 0.197 16.610 -3.821) 17.045 5.708 ( -4.137 12.964 0.601) 13.622 5.716 ( -3.561 12.417 -0.015) 12.917 7.198 ( 1.038 -2.197 5.286) 5.817 7.262 ( -0.703 -0.722 3.067) 3.228 7.306 ( 0.963 -3.389 -4.770) 5.930 7.376 ( -0.246 -4.691 -7.074) 8.492 8.624 ( 3.181 5.112 5.152) 7.924 8.707 ( 4.458 5.189 -0.703) 6.878 8.865 ( -5.933 11.908 1.733) 13.417 8.911 ( -3.134 11.329 -2.274) 11.972 9.274 ( 4.529 -0.747 5.460) 7.133 9.452 ( -2.315 -1.544 0.647) 2.857 9.495 ( 3.682 -5.200 -14.121) 15.492 9.527 ( 0.369 -3.916 -5.481) 6.746 9.811 ( 6.362 15.428 0.333) 16.692 9.864 ( 4.116 11.738 -2.819) 12.755 10.436 ( 2.739 1.923 -0.398) 3.370 10.459 ( 1.479 1.434 -2.821) 3.493 10.726 ( -8.545 -4.435 1.344) 9.721 10.777 ( -7.415 -4.235 -3.221) 9.126 11.201 ( 0.226 -13.901 2.435) 14.115 11.248 ( -0.763 -15.337 -1.559) 15.435 13.039 ( 2.402 9.202 8.042) 12.455 13.166 ( 2.475 6.577 -3.237) 7.737 13.305 ( -2.259 8.499 7.039) 11.264 13.473 ( -0.005 4.537 -8.296) 9.455 13.960 ( -1.896 11.253 5.799) 12.800 14.054 ( -2.926 10.620 -3.437) 11.540 14.569 ( -1.297 -3.586 4.248) 5.709 14.638 ( -3.168 -3.755 -2.200) 5.383 15.968 ( 9.930 1.830 7.671) 12.680 16.157 ( 8.444 -2.631 -9.503) 12.981 16.450 ( -6.922 -0.306 5.022) 8.558 16.563 ( -5.414 -2.995 -5.265) 8.124 18.085 ( 0.538 -6.509 4.081) 7.701 18.106 ( -0.010 -5.558 3.446) 6.540 18.274 ( 0.442 -13.456 -2.067) 13.621 18.295 ( -0.249 -12.190 -2.620) 12.471 ======================= Grid point 332 (117/120) ======================= q-point: (-0.50 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -2.682 1.838 4.885) 5.868 2.585 ( 2.682 1.838 4.885) 5.868 2.735 ( -3.372 -0.863 -8.619) 9.295 2.735 ( 3.372 -0.863 -8.619) 9.295 3.096 ( -2.253 3.726 -0.314) 4.366 3.096 ( 2.253 3.726 -0.314) 4.366 3.693 ( -2.263 -11.396 -1.424) 11.706 3.693 ( 2.263 -11.396 -1.424) 11.706 5.521 ( -2.711 16.768 0.927) 17.011 5.521 ( 2.711 16.768 0.927) 17.011 5.652 ( -0.794 13.418 -0.584) 13.454 5.652 ( 0.794 13.418 -0.584) 13.454 7.228 ( -1.593 -1.452 3.272) 3.919 7.228 ( 1.593 -1.452 3.272) 3.919 7.350 ( -1.930 -4.236 -5.037) 6.859 7.350 ( 1.930 -4.236 -5.037) 6.859 8.727 ( -5.745 9.364 4.363) 11.821 8.727 ( 5.745 9.364 4.363) 11.821 8.819 ( -4.889 9.365 -2.419) 10.837 8.819 ( 4.889 9.365 -2.419) 10.837 9.382 ( -4.160 -2.320 3.929) 6.174 9.382 ( 4.160 -2.320 3.929) 6.174 9.533 ( -0.139 -4.042 -9.568) 10.388 9.533 ( 0.139 -4.042 -9.568) 10.388 9.919 ( -1.039 12.099 -1.298) 12.213 9.919 ( 1.039 12.099 -1.298) 12.213 10.535 ( -4.275 -4.820 -1.069) 6.531 10.535 ( 4.275 -4.820 -1.069) 6.531 10.575 ( -7.012 2.636 -2.439) 7.878 10.575 ( 7.012 2.636 -2.439) 7.878 11.220 ( -1.350 -14.479 0.061) 14.542 11.220 ( 1.350 -14.479 0.061) 14.542 13.119 ( -4.362 10.366 3.409) 11.752 13.119 ( 4.362 10.366 3.409) 11.752 13.387 ( -6.466 2.541 0.179) 6.950 13.387 ( 6.466 2.541 0.179) 6.950 13.976 ( -3.089 14.147 -0.159) 14.481 13.976 ( 3.089 14.147 -0.159) 14.481 14.574 ( -1.887 -6.073 0.930) 6.427 14.574 ( 1.887 -6.073 0.930) 6.427 16.215 ( -10.144 2.395 4.760) 11.458 16.215 ( 10.144 2.395 4.760) 11.458 16.395 ( -8.395 -3.995 -5.707) 10.909 16.395 ( 8.395 -3.995 -5.707) 10.909 18.099 ( -0.561 -5.991 3.292) 6.859 18.099 ( 0.561 -5.991 3.292) 6.859 18.286 ( -0.530 -12.880 -1.979) 13.042 18.286 ( 0.530 -12.880 -1.979) 13.042 ======================= Grid point 335 (118/120) ======================= q-point: ( 0.00 0.47 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 0.000 5.404 -1.527) 5.616 2.619 ( 0.000 1.826 -2.165) 2.832 2.665 ( 0.000 -1.744 0.357) 1.780 2.738 ( 0.000 -6.161 -6.308) 8.817 3.168 ( 0.000 7.431 -1.358) 7.554 3.183 ( 0.000 5.038 -2.431) 5.594 3.493 ( 0.000 -6.378 2.485) 6.845 3.536 ( 0.000 -9.598 -1.645) 9.738 5.705 ( 0.000 9.523 3.736) 10.230 5.762 ( 0.000 4.845 -0.967) 4.940 5.904 ( 0.000 3.365 -0.355) 3.383 5.917 ( 0.000 2.911 -0.983) 3.072 7.158 ( 0.000 0.251 0.621) 0.669 7.196 ( 0.000 -3.167 -2.365) 3.953 7.297 ( 0.000 -1.010 -2.692) 2.875 7.297 ( 0.000 -1.600 -3.385) 3.744 8.655 ( 0.000 3.332 3.836) 5.081 8.689 ( 0.000 0.302 1.571) 1.600 9.150 ( 0.000 8.593 0.861) 8.636 9.191 ( 0.000 9.513 -0.583) 9.531 9.266 ( 0.000 3.710 -2.161) 4.293 9.313 ( 0.000 -4.497 -7.951) 9.135 9.400 ( 0.000 -6.067 -3.805) 7.162 9.415 ( 0.000 -6.351 -5.464) 8.378 10.021 ( 0.000 10.341 3.647) 10.965 10.048 ( 0.000 8.186 2.139) 8.461 10.473 ( 0.000 2.009 -1.014) 2.250 10.483 ( 0.000 0.623 -2.181) 2.268 10.769 ( 0.000 0.988 -0.370) 1.055 10.791 ( 0.000 -0.053 -2.593) 2.593 10.946 ( 0.000 -10.748 -0.004) 10.748 10.956 ( 0.000 -12.538 -0.375) 12.544 13.139 ( 0.000 4.132 6.549) 7.744 13.175 ( 0.000 0.463 3.592) 3.622 13.521 ( 0.000 3.859 -2.780) 4.756 13.536 ( 0.000 2.542 -5.021) 5.628 14.113 ( 0.000 4.102 4.856) 6.356 14.156 ( 0.000 0.211 0.612) 0.647 14.610 ( 0.000 1.624 2.107) 2.660 14.648 ( 0.000 -1.954 -1.372) 2.387 15.890 ( 0.000 3.260 3.420) 4.725 15.966 ( 0.000 -4.261 -3.350) 5.420 16.546 ( 0.000 1.264 1.155) 1.712 16.577 ( 0.000 -1.892 -1.463) 2.391 17.996 ( 0.000 -1.200 3.722) 3.910 18.029 ( 0.000 -3.127 4.805) 5.733 18.085 ( 0.000 -3.602 -4.318) 5.624 18.121 ( 0.000 -5.827 -3.581) 6.840 ======================= Grid point 336 (119/120) ======================= q-point: ( 0.25 0.47 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 0.261 4.603 -1.136) 4.748 2.639 ( 1.621 0.009 -2.721) 3.168 2.649 ( -1.080 -0.179 0.297) 1.134 2.727 ( -1.164 -5.433 -6.328) 8.422 3.194 ( 2.190 8.231 -0.345) 8.524 3.219 ( 2.461 6.659 -2.438) 7.506 3.468 ( -1.667 -7.928 2.105) 8.371 3.512 ( -2.058 -10.562 -2.091) 10.963 5.721 ( 1.471 8.894 2.941) 9.482 5.766 ( 0.424 5.297 -0.836) 5.380 5.865 ( -2.855 3.323 -0.319) 4.392 5.871 ( -3.402 3.423 -0.506) 4.853 7.180 ( 1.671 0.640 0.454) 1.846 7.223 ( 1.996 -3.320 -2.515) 4.619 7.265 ( -1.844 0.265 -1.818) 2.603 7.297 ( -0.751 -2.913 -3.769) 4.823 8.728 ( 6.149 4.667 4.313) 8.843 8.774 ( 6.890 0.726 1.215) 7.034 9.075 ( -6.485 7.916 2.336) 10.497 9.103 ( -5.384 5.852 0.130) 7.953 9.292 ( 2.417 3.953 -1.367) 4.831 9.380 ( 1.403 -3.764 -7.078) 8.139 9.393 ( 0.779 -4.177 -4.638) 6.290 9.423 ( 0.463 -6.452 -6.402) 9.101 10.084 ( 5.106 9.994 1.881) 11.379 10.098 ( 4.146 9.028 1.267) 10.015 10.437 ( -3.000 -1.884 -0.761) 3.623 10.453 ( -2.753 -2.621 -2.197) 4.390 10.723 ( -2.571 5.433 0.440) 6.027 10.762 ( -2.670 4.017 -3.186) 5.781 10.931 ( -0.472 -12.451 0.674) 12.478 10.957 ( -0.536 -12.915 -1.594) 13.024 13.180 ( 3.672 4.970 5.900) 8.544 13.230 ( 4.597 0.112 2.177) 5.087 13.442 ( -5.306 5.270 0.883) 7.531 13.506 ( -3.841 -1.000 -4.226) 5.798 14.146 ( 3.106 7.038 4.123) 8.728 14.198 ( 3.125 2.804 -0.794) 4.273 14.515 ( -6.744 -0.778 2.511) 7.238 14.557 ( -6.722 -4.040 -1.311) 7.952 16.018 ( 9.977 3.146 3.126) 10.919 16.088 ( 9.525 -3.794 -3.128) 10.719 16.469 ( -6.652 1.764 1.766) 7.105 16.510 ( -5.911 -2.378 -1.875) 6.641 18.008 ( 0.985 -0.898 2.832) 3.130 18.038 ( 0.523 -1.879 3.207) 3.753 18.082 ( -0.089 -4.911 -2.965) 5.737 18.113 ( -0.668 -6.029 -2.726) 6.651 ======================= Grid point 337 (120/120) ======================= q-point: (-0.50 0.47 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( -0.814 2.567 0.027) 2.693 2.626 ( 0.814 2.567 0.027) 2.693 2.686 ( -2.284 -3.286 -5.049) 6.443 2.686 ( 2.284 -3.286 -5.049) 6.443 3.242 ( -1.133 9.954 -0.405) 10.027 3.242 ( 1.133 9.954 -0.405) 10.027 3.461 ( -1.627 -11.744 -0.942) 11.894 3.461 ( 1.627 -11.744 -0.942) 11.894 5.766 ( -1.765 7.713 0.693) 7.943 5.766 ( 1.765 7.713 0.693) 7.943 5.815 ( -0.512 2.913 -0.102) 2.960 5.815 ( 0.512 2.913 -0.102) 2.960 7.222 ( -1.943 0.975 -0.256) 2.189 7.222 ( 1.943 0.975 -0.256) 2.189 7.268 ( -1.774 -3.561 -3.520) 5.312 7.268 ( 1.774 -3.561 -3.520) 5.313 8.897 ( -7.532 7.066 3.779) 10.998 8.897 ( 7.532 7.066 3.779) 10.998 8.956 ( -7.152 2.517 1.347) 7.700 8.956 ( 7.152 2.517 1.347) 7.700 9.349 ( -2.313 0.722 -1.966) 3.120 9.349 ( 2.313 0.722 -1.966) 3.120 9.427 ( -0.489 -5.835 -7.604) 9.598 9.427 ( 0.489 -5.835 -7.604) 9.598 10.175 ( -0.353 12.451 -0.316) 12.460 10.175 ( 0.353 12.451 -0.316) 12.460 10.388 ( -0.945 -9.023 -0.932) 9.120 10.388 ( 0.945 -9.023 -0.932) 9.120 10.705 ( -1.355 9.359 -1.358) 9.554 10.705 ( 1.355 9.359 -1.358) 9.554 10.937 ( -0.869 -13.600 -0.664) 13.644 10.937 ( 0.869 -13.600 -0.664) 13.644 13.289 ( -4.804 6.764 2.342) 8.620 13.289 ( 4.804 6.764 2.342) 8.620 13.384 ( -5.428 -2.680 1.266) 6.185 13.384 ( 5.428 -2.680 1.266) 6.185 14.230 ( -2.502 11.515 0.506) 11.794 14.230 ( 2.502 11.515 0.506) 11.794 14.430 ( -2.154 -8.647 0.848) 8.951 14.430 ( 2.154 -8.647 0.848) 8.951 16.265 ( -10.573 2.752 2.276) 11.160 16.265 ( 10.573 2.752 2.276) 11.160 16.325 ( -9.921 -3.256 -2.257) 10.683 16.325 ( 9.921 -3.256 -2.257) 10.683 18.033 ( -0.957 -0.363 1.227) 1.598 18.033 ( 0.957 -0.363 1.227) 1.598 18.093 ( -0.987 -6.476 -1.188) 6.658 18.093 ( 0.987 -6.476 -1.188) 6.658 =================== 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 3/25920 10.0 4751.558 7367.874 5646.478 0.000 0.000 0.000 3/25920 20.0 978.887 1334.631 1051.001 0.000 0.000 0.000 3/25920 30.0 341.041 574.617 365.929 0.000 0.000 -0.000 3/25920 40.0 175.001 314.530 182.018 0.000 0.000 -0.000 3/25920 50.0 105.469 186.203 105.619 0.000 0.000 -0.000 3/25920 60.0 69.334 117.901 67.226 0.000 0.000 -0.000 3/25920 70.0 48.604 80.009 45.959 0.000 0.000 -0.000 3/25920 80.0 35.923 57.812 33.308 0.000 0.000 -0.000 3/25920 90.0 27.740 44.022 25.321 0.000 0.000 -0.000 3/25920 100.0 22.207 34.971 20.016 0.000 0.000 -0.000 3/25920 110.0 18.310 28.737 16.337 0.000 0.000 -0.000 3/25920 120.0 15.467 24.263 13.689 0.000 0.000 -0.000 3/25920 130.0 13.330 20.936 11.720 0.000 0.000 -0.000 3/25920 140.0 11.679 18.387 10.216 0.000 0.000 -0.000 3/25920 150.0 10.375 16.385 9.038 0.000 0.000 -0.000 3/25920 160.0 9.324 14.776 8.097 0.000 0.000 -0.000 3/25920 170.0 8.463 13.459 7.331 0.000 0.000 -0.000 3/25920 180.0 7.746 12.364 6.697 0.000 0.000 -0.000 3/25920 190.0 7.141 11.439 6.165 0.000 0.000 -0.000 3/25920 200.0 6.625 10.648 5.712 0.000 0.000 -0.000 3/25920 210.0 6.180 9.965 5.324 0.000 0.000 -0.000 3/25920 220.0 5.792 9.368 4.987 0.000 0.000 -0.000 3/25920 230.0 5.451 8.843 4.691 0.000 0.000 -0.000 3/25920 240.0 5.149 8.377 4.430 0.000 0.000 -0.000 3/25920 250.0 4.880 7.960 4.198 0.000 0.000 -0.000 3/25920 260.0 4.639 7.585 3.990 0.000 0.000 -0.000 3/25920 270.0 4.421 7.246 3.803 0.000 0.000 -0.000 3/25920 280.0 4.224 6.938 3.634 0.000 0.000 -0.000 3/25920 290.0 4.045 6.656 3.480 0.000 0.000 -0.000 3/25920 300.0 3.880 6.398 3.339 0.000 0.000 -0.000 3/25920 310.0 3.729 6.160 3.209 0.000 0.000 -0.000 3/25920 320.0 3.590 5.940 3.090 0.000 0.000 -0.000 3/25920 330.0 3.462 5.736 2.980 0.000 0.000 -0.000 3/25920 340.0 3.342 5.546 2.878 0.000 0.000 -0.000 3/25920 350.0 3.231 5.370 2.783 0.000 0.000 -0.000 3/25920 360.0 3.128 5.204 2.694 0.000 0.000 -0.000 3/25920 370.0 3.031 5.049 2.611 0.000 0.000 -0.000 3/25920 380.0 2.940 4.903 2.533 0.000 0.000 -0.000 3/25920 390.0 2.855 4.766 2.460 0.000 0.000 -0.000 3/25920 400.0 2.774 4.637 2.392 0.000 0.000 -0.000 3/25920 410.0 2.698 4.514 2.327 0.000 0.000 -0.000 3/25920 420.0 2.627 4.399 2.266 0.000 0.000 -0.000 3/25920 430.0 2.559 4.289 2.208 0.000 0.000 -0.000 3/25920 440.0 2.495 4.185 2.153 0.000 0.000 -0.000 3/25920 450.0 2.434 4.086 2.100 0.000 0.000 -0.000 3/25920 460.0 2.376 3.991 2.051 0.000 0.000 -0.000 3/25920 470.0 2.321 3.901 2.004 0.000 0.000 -0.000 3/25920 480.0 2.268 3.815 1.959 0.000 0.000 -0.000 3/25920 490.0 2.218 3.733 1.916 0.000 0.000 -0.000 3/25920 500.0 2.170 3.655 1.874 0.000 0.000 -0.000 3/25920 510.0 2.124 3.580 1.835 0.000 0.000 -0.000 3/25920 520.0 2.081 3.508 1.798 0.000 0.000 -0.000 3/25920 530.0 2.039 3.438 1.761 0.000 0.000 -0.000 3/25920 540.0 1.998 3.372 1.727 0.000 0.000 -0.000 3/25920 550.0 1.959 3.308 1.694 0.000 0.000 -0.000 3/25920 560.0 1.922 3.247 1.662 0.000 0.000 -0.000 3/25920 570.0 1.886 3.188 1.631 0.000 0.000 -0.000 3/25920 580.0 1.852 3.131 1.601 0.000 0.000 -0.000 3/25920 590.0 1.819 3.076 1.573 0.000 0.000 -0.000 3/25920 600.0 1.787 3.023 1.545 0.000 0.000 -0.000 3/25920 610.0 1.756 2.972 1.519 0.000 0.000 -0.000 3/25920 620.0 1.726 2.922 1.493 0.000 0.000 -0.000 3/25920 630.0 1.697 2.874 1.468 0.000 0.000 -0.000 3/25920 640.0 1.670 2.828 1.444 0.000 0.000 -0.000 3/25920 650.0 1.643 2.783 1.421 0.000 0.000 -0.000 3/25920 660.0 1.617 2.740 1.399 0.000 0.000 -0.000 3/25920 670.0 1.591 2.698 1.377 0.000 0.000 -0.000 3/25920 680.0 1.567 2.657 1.356 0.000 0.000 -0.000 3/25920 690.0 1.543 2.618 1.336 0.000 0.000 -0.000 3/25920 700.0 1.520 2.580 1.316 0.000 0.000 -0.000 3/25920 710.0 1.498 2.542 1.297 0.000 0.000 -0.000 3/25920 720.0 1.477 2.506 1.278 0.000 0.000 -0.000 3/25920 730.0 1.456 2.471 1.260 0.000 0.000 -0.000 3/25920 740.0 1.435 2.437 1.243 0.000 0.000 -0.000 3/25920 750.0 1.415 2.404 1.226 0.000 0.000 -0.000 3/25920 760.0 1.396 2.372 1.209 0.000 0.000 -0.000 3/25920 770.0 1.377 2.340 1.193 0.000 0.000 -0.000 3/25920 780.0 1.359 2.310 1.177 0.000 0.000 -0.000 3/25920 790.0 1.341 2.280 1.162 0.000 0.000 -0.000 3/25920 800.0 1.324 2.251 1.147 0.000 0.000 -0.000 3/25920 810.0 1.307 2.223 1.133 0.000 0.000 -0.000 3/25920 820.0 1.291 2.195 1.118 0.000 0.000 -0.000 3/25920 830.0 1.275 2.168 1.105 0.000 0.000 -0.000 3/25920 840.0 1.259 2.142 1.091 0.000 0.000 -0.000 3/25920 850.0 1.244 2.117 1.078 0.000 0.000 -0.000 3/25920 860.0 1.229 2.092 1.065 0.000 0.000 -0.000 3/25920 870.0 1.215 2.067 1.053 0.000 0.000 -0.000 3/25920 880.0 1.201 2.043 1.041 0.000 0.000 -0.000 3/25920 890.0 1.187 2.020 1.029 0.000 0.000 -0.000 3/25920 900.0 1.173 1.997 1.017 0.000 0.000 -0.000 3/25920 910.0 1.160 1.975 1.006 0.000 0.000 -0.000 3/25920 920.0 1.147 1.953 0.994 0.000 0.000 -0.000 3/25920 930.0 1.135 1.932 0.983 0.000 0.000 -0.000 3/25920 940.0 1.122 1.911 0.973 0.000 0.000 -0.000 3/25920 950.0 1.110 1.891 0.962 0.000 0.000 -0.000 3/25920 960.0 1.098 1.871 0.952 0.000 0.000 -0.000 3/25920 970.0 1.087 1.852 0.942 0.000 0.000 -0.000 3/25920 980.0 1.076 1.833 0.932 0.000 0.000 -0.000 3/25920 990.0 1.064 1.814 0.923 0.000 0.000 -0.000 3/25920 1000.0 1.054 1.795 0.914 0.000 0.000 -0.000 3/25920 Thermal conductivity related properties were written into "kappa-m4159.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:17:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|