----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:04:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.938271000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.719462000000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.689858970000000 Atomic positions (fractional): *1 S 0.51217272926957 0.75000000000000 0.39360828472953 32.065 2 S 0.48782727073043 0.25000000000000 0.60639171527047 32.065 3 S 0.01217272926957 0.75000000000000 0.10639171527047 32.065 4 S 0.98782727073043 0.25000000000000 0.89360828472953 32.065 *5 S 0.66943305652510 0.75000000000000 0.98757039298962 32.065 6 S 0.33056694347490 0.25000000000000 0.01242960701038 32.065 7 S 0.16943305652511 0.75000000000000 0.51242960701038 32.065 8 S 0.83056694347490 0.25000000000000 0.48757039298962 32.065 *9 S 0.72898953386761 0.25000000000000 0.21724778241489 32.065 10 S 0.27101046613239 0.75000000000000 0.78275221758511 32.065 11 S 0.22898953386761 0.25000000000000 0.28275221758511 32.065 12 S 0.77101046613239 0.75000000000000 0.71724778241489 32.065 *13 Hf 0.66525275943322 0.75000000000000 0.55054962816486 178.490 14 Hf 0.33474724056678 0.25000000000000 0.44945037183514 178.490 15 Hf 0.16525275943322 0.75000000000000 0.94945037183514 178.490 16 Hf 0.83474724056678 0.25000000000000 0.05054962816486 178.490 *17 Pb 0.01441551609053 0.75000000000000 0.32752830122767 207.200 18 Pb 0.98558448390947 0.25000000000000 0.67247169877233 207.200 19 Pb 0.51441551609053 0.75000000000000 0.17247169877233 207.200 20 Pb 0.48558448390947 0.25000000000000 0.82752830122767 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.938271000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.719462000000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.689858970000000 Atomic positions (fractional): *1 S 0.51217272926957 0.75000000000000 0.39360828472953 32.065 > 1 2 S 0.48782727073043 0.25000000000000 0.60639171527047 32.065 > 2 3 S 0.01217272926957 0.75000000000000 0.10639171527047 32.065 > 3 4 S 0.98782727073043 0.25000000000000 0.89360828472953 32.065 > 4 *5 S 0.66943305652510 0.75000000000000 0.98757039298962 32.065 > 5 6 S 0.33056694347490 0.25000000000000 0.01242960701038 32.065 > 6 7 S 0.16943305652511 0.75000000000000 0.51242960701038 32.065 > 7 8 S 0.83056694347490 0.25000000000000 0.48757039298962 32.065 > 8 *9 S 0.72898953386761 0.25000000000000 0.21724778241489 32.065 > 9 10 S 0.27101046613239 0.75000000000000 0.78275221758511 32.065 > 10 11 S 0.22898953386761 0.25000000000000 0.28275221758511 32.065 > 11 12 S 0.77101046613239 0.75000000000000 0.71724778241489 32.065 > 12 *13 Hf 0.66525275943322 0.75000000000000 0.55054962816486 178.490 > 13 14 Hf 0.33474724056678 0.25000000000000 0.44945037183514 178.490 > 14 15 Hf 0.16525275943322 0.75000000000000 0.94945037183514 178.490 > 15 16 Hf 0.83474724056678 0.25000000000000 0.05054962816486 178.490 > 16 *17 Pb 0.01441551609053 0.75000000000000 0.32752830122767 207.200 > 17 18 Pb 0.98558448390947 0.25000000000000 0.67247169877233 207.200 > 18 19 Pb 0.51441551609053 0.75000000000000 0.17247169877233 207.200 > 19 20 Pb 0.48558448390947 0.25000000000000 0.82752830122767 207.200 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.876542000000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.158386000000004 0.000000000000000 c 0.000000000000000 0.000000000000000 13.689858970000000 Atomic positions (fractional): *1 S 0.25608636463479 0.25000000000000 0.39360828472953 32.065 > 1 2 S 0.75608636463479 0.25000000000000 0.39360828472953 32.065 > 1 3 S 0.25608636463479 0.58333333333333 0.39360828472953 32.065 > 1 4 S 0.75608636463479 0.58333333333333 0.39360828472953 32.065 > 1 5 S 0.25608636463479 0.91666666666667 0.39360828472953 32.065 > 1 6 S 0.75608636463479 0.91666666666667 0.39360828472953 32.065 > 1 7 S 0.24391363536521 0.08333333333333 0.60639171527047 32.065 > 2 8 S 0.74391363536521 0.08333333333333 0.60639171527047 32.065 > 2 9 S 0.24391363536521 0.41666666666667 0.60639171527047 32.065 > 2 10 S 0.74391363536521 0.41666666666667 0.60639171527047 32.065 > 2 11 S 0.24391363536521 0.75000000000000 0.60639171527047 32.065 > 2 12 S 0.74391363536521 0.75000000000000 0.60639171527047 32.065 > 2 13 S 0.00608636463479 0.25000000000000 0.10639171527047 32.065 > 3 14 S 0.50608636463479 0.25000000000000 0.10639171527047 32.065 > 3 15 S 0.00608636463479 0.58333333333333 0.10639171527047 32.065 > 3 16 S 0.50608636463479 0.58333333333333 0.10639171527047 32.065 > 3 17 S 0.00608636463479 0.91666666666667 0.10639171527047 32.065 > 3 18 S 0.50608636463479 0.91666666666667 0.10639171527047 32.065 > 3 19 S 0.49391363536521 0.08333333333333 0.89360828472953 32.065 > 4 20 S 0.99391363536521 0.08333333333333 0.89360828472953 32.065 > 4 21 S 0.49391363536521 0.41666666666667 0.89360828472953 32.065 > 4 22 S 0.99391363536521 0.41666666666667 0.89360828472953 32.065 > 4 23 S 0.49391363536521 0.75000000000000 0.89360828472953 32.065 > 4 24 S 0.99391363536521 0.75000000000000 0.89360828472953 32.065 > 4 *25 S 0.33471652826255 0.25000000000000 0.98757039298962 32.065 > 5 26 S 0.83471652826255 0.25000000000000 0.98757039298962 32.065 > 5 27 S 0.33471652826255 0.58333333333333 0.98757039298962 32.065 > 5 28 S 0.83471652826255 0.58333333333333 0.98757039298962 32.065 > 5 29 S 0.33471652826255 0.91666666666667 0.98757039298962 32.065 > 5 30 S 0.83471652826255 0.91666666666667 0.98757039298962 32.065 > 5 31 S 0.16528347173745 0.08333333333333 0.01242960701038 32.065 > 6 32 S 0.66528347173745 0.08333333333333 0.01242960701038 32.065 > 6 33 S 0.16528347173745 0.41666666666667 0.01242960701038 32.065 > 6 34 S 0.66528347173745 0.41666666666667 0.01242960701038 32.065 > 6 35 S 0.16528347173745 0.75000000000000 0.01242960701038 32.065 > 6 36 S 0.66528347173745 0.75000000000000 0.01242960701038 32.065 > 6 37 S 0.08471652826255 0.25000000000000 0.51242960701038 32.065 > 7 38 S 0.58471652826255 0.25000000000000 0.51242960701038 32.065 > 7 39 S 0.08471652826255 0.58333333333333 0.51242960701038 32.065 > 7 40 S 0.58471652826255 0.58333333333333 0.51242960701038 32.065 > 7 41 S 0.08471652826255 0.91666666666667 0.51242960701038 32.065 > 7 42 S 0.58471652826255 0.91666666666667 0.51242960701038 32.065 > 7 43 S 0.41528347173745 0.08333333333333 0.48757039298962 32.065 > 8 44 S 0.91528347173745 0.08333333333333 0.48757039298962 32.065 > 8 45 S 0.41528347173745 0.41666666666667 0.48757039298962 32.065 > 8 46 S 0.91528347173745 0.41666666666667 0.48757039298962 32.065 > 8 47 S 0.41528347173745 0.75000000000000 0.48757039298962 32.065 > 8 48 S 0.91528347173745 0.75000000000000 0.48757039298962 32.065 > 8 *49 S 0.36449476693381 0.08333333333333 0.21724778241489 32.065 > 9 50 S 0.86449476693381 0.08333333333333 0.21724778241489 32.065 > 9 51 S 0.36449476693381 0.41666666666667 0.21724778241489 32.065 > 9 52 S 0.86449476693381 0.41666666666667 0.21724778241489 32.065 > 9 53 S 0.36449476693381 0.75000000000000 0.21724778241489 32.065 > 9 54 S 0.86449476693381 0.75000000000000 0.21724778241489 32.065 > 9 55 S 0.13550523306619 0.25000000000000 0.78275221758511 32.065 > 10 56 S 0.63550523306619 0.25000000000000 0.78275221758511 32.065 > 10 57 S 0.13550523306619 0.58333333333333 0.78275221758511 32.065 > 10 58 S 0.63550523306619 0.58333333333333 0.78275221758511 32.065 > 10 59 S 0.13550523306619 0.91666666666667 0.78275221758511 32.065 > 10 60 S 0.63550523306619 0.91666666666667 0.78275221758511 32.065 > 10 61 S 0.11449476693381 0.08333333333333 0.28275221758511 32.065 > 11 62 S 0.61449476693381 0.08333333333333 0.28275221758511 32.065 > 11 63 S 0.11449476693381 0.41666666666667 0.28275221758511 32.065 > 11 64 S 0.61449476693381 0.41666666666667 0.28275221758511 32.065 > 11 65 S 0.11449476693381 0.75000000000000 0.28275221758511 32.065 > 11 66 S 0.61449476693381 0.75000000000000 0.28275221758511 32.065 > 11 67 S 0.38550523306619 0.25000000000000 0.71724778241489 32.065 > 12 68 S 0.88550523306619 0.25000000000000 0.71724778241489 32.065 > 12 69 S 0.38550523306619 0.58333333333333 0.71724778241489 32.065 > 12 70 S 0.88550523306619 0.58333333333333 0.71724778241489 32.065 > 12 71 S 0.38550523306619 0.91666666666667 0.71724778241489 32.065 > 12 72 S 0.88550523306619 0.91666666666667 0.71724778241489 32.065 > 12 *73 Hf 0.33262637971661 0.25000000000000 0.55054962816486 178.490 > 13 74 Hf 0.83262637971661 0.25000000000000 0.55054962816486 178.490 > 13 75 Hf 0.33262637971661 0.58333333333333 0.55054962816486 178.490 > 13 76 Hf 0.83262637971661 0.58333333333333 0.55054962816486 178.490 > 13 77 Hf 0.33262637971661 0.91666666666667 0.55054962816486 178.490 > 13 78 Hf 0.83262637971661 0.91666666666667 0.55054962816486 178.490 > 13 79 Hf 0.16737362028339 0.08333333333333 0.44945037183514 178.490 > 14 80 Hf 0.66737362028339 0.08333333333333 0.44945037183514 178.490 > 14 81 Hf 0.16737362028339 0.41666666666667 0.44945037183514 178.490 > 14 82 Hf 0.66737362028339 0.41666666666667 0.44945037183514 178.490 > 14 83 Hf 0.16737362028339 0.75000000000000 0.44945037183514 178.490 > 14 84 Hf 0.66737362028339 0.75000000000000 0.44945037183514 178.490 > 14 85 Hf 0.08262637971661 0.25000000000000 0.94945037183514 178.490 > 15 86 Hf 0.58262637971661 0.25000000000000 0.94945037183514 178.490 > 15 87 Hf 0.08262637971661 0.58333333333333 0.94945037183514 178.490 > 15 88 Hf 0.58262637971661 0.58333333333333 0.94945037183514 178.490 > 15 89 Hf 0.08262637971661 0.91666666666667 0.94945037183514 178.490 > 15 90 Hf 0.58262637971661 0.91666666666667 0.94945037183514 178.490 > 15 91 Hf 0.41737362028339 0.08333333333333 0.05054962816486 178.490 > 16 92 Hf 0.91737362028339 0.08333333333333 0.05054962816486 178.490 > 16 93 Hf 0.41737362028339 0.41666666666667 0.05054962816486 178.490 > 16 94 Hf 0.91737362028339 0.41666666666667 0.05054962816486 178.490 > 16 95 Hf 0.41737362028339 0.75000000000000 0.05054962816486 178.490 > 16 96 Hf 0.91737362028339 0.75000000000000 0.05054962816486 178.490 > 16 *97 Pb 0.00720775804527 0.25000000000000 0.32752830122767 207.200 > 17 98 Pb 0.50720775804527 0.25000000000000 0.32752830122767 207.200 > 17 99 Pb 0.00720775804527 0.58333333333333 0.32752830122767 207.200 > 17 100 Pb 0.50720775804527 0.58333333333333 0.32752830122767 207.200 > 17 101 Pb 0.00720775804527 0.91666666666667 0.32752830122767 207.200 > 17 102 Pb 0.50720775804527 0.91666666666667 0.32752830122767 207.200 > 17 103 Pb 0.49279224195473 0.08333333333333 0.67247169877233 207.200 > 18 104 Pb 0.99279224195473 0.08333333333333 0.67247169877233 207.200 > 18 105 Pb 0.49279224195473 0.41666666666667 0.67247169877233 207.200 > 18 106 Pb 0.99279224195473 0.41666666666667 0.67247169877233 207.200 > 18 107 Pb 0.49279224195473 0.75000000000000 0.67247169877233 207.200 > 18 108 Pb 0.99279224195473 0.75000000000000 0.67247169877233 207.200 > 18 109 Pb 0.25720775804527 0.25000000000000 0.17247169877233 207.200 > 19 110 Pb 0.75720775804527 0.25000000000000 0.17247169877233 207.200 > 19 111 Pb 0.25720775804527 0.58333333333333 0.17247169877233 207.200 > 19 112 Pb 0.75720775804527 0.58333333333333 0.17247169877233 207.200 > 19 113 Pb 0.25720775804527 0.91666666666667 0.17247169877233 207.200 > 19 114 Pb 0.75720775804527 0.91666666666667 0.17247169877233 207.200 > 19 115 Pb 0.24279224195473 0.08333333333333 0.82752830122767 207.200 > 20 116 Pb 0.74279224195473 0.08333333333333 0.82752830122767 207.200 > 20 117 Pb 0.24279224195473 0.41666666666667 0.82752830122767 207.200 > 20 118 Pb 0.74279224195473 0.41666666666667 0.82752830122767 207.200 > 20 119 Pb 0.24279224195473 0.75000000000000 0.82752830122767 207.200 > 20 120 Pb 0.74279224195473 0.75000000000000 0.82752830122767 207.200 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.6205757 0.0000000 0.0000000 0.0000000 11.4990348 0.0000000 0.0000000 0.0000000 8.7608568 -------------------------- Born effective charges -------------------------- 1 S -2.6935601 0.0000000 -0.4760070 0.0000000 -3.7508414 0.0000000 -0.5546556 0.0000000 -2.6904247 2 S -2.6935601 0.0000000 -0.4760070 0.0000000 -3.7508414 0.0000000 -0.5546556 0.0000000 -2.6904247 3 S -2.6935601 0.0000000 0.4760070 0.0000000 -3.7508414 0.0000000 0.5546556 0.0000000 -2.6904247 4 S -2.6935601 0.0000000 0.4760070 0.0000000 -3.7508414 0.0000000 0.5546556 0.0000000 -2.6904247 5 S -2.7029300 0.0000000 -0.7858587 0.0000000 -4.4610467 0.0000000 -0.1378573 0.0000000 -1.9816896 6 S -2.7029300 0.0000000 -0.7858587 0.0000000 -4.4610467 0.0000000 -0.1378573 0.0000000 -1.9816896 7 S -2.7029300 0.0000000 0.7858587 0.0000000 -4.4610467 0.0000000 0.1378573 0.0000000 -1.9816896 8 S -2.7029300 0.0000000 0.7858587 0.0000000 -4.4610467 0.0000000 0.1378573 0.0000000 -1.9816896 9 S -2.9969708 0.0000000 0.5062715 0.0000000 -2.4061841 0.0000000 0.3350154 0.0000000 -2.2717340 10 S -2.9969708 0.0000000 0.5062715 0.0000000 -2.4061841 0.0000000 0.3350154 0.0000000 -2.2717340 11 S -2.9969708 0.0000000 -0.5062715 0.0000000 -2.4061841 0.0000000 -0.3350154 0.0000000 -2.2717340 12 S -2.9969708 0.0000000 -0.5062715 0.0000000 -2.4061841 0.0000000 -0.3350154 0.0000000 -2.2717340 13 Hf 4.7397451 0.0000000 1.3231783 0.0000000 7.3743273 0.0000000 1.1179290 0.0000000 3.3016907 14 Hf 4.7397451 0.0000000 1.3231783 0.0000000 7.3743273 0.0000000 1.1179290 0.0000000 3.3016907 15 Hf 4.7397451 0.0000000 -1.3231783 0.0000000 7.3743273 0.0000000 -1.1179290 0.0000000 3.3016907 16 Hf 4.7397451 0.0000000 -1.3231783 0.0000000 7.3743273 0.0000000 -1.1179290 0.0000000 3.3016907 17 Pb 3.6537159 0.0000000 0.1732877 0.0000000 3.2437449 0.0000000 0.5897779 0.0000000 3.6421575 18 Pb 3.6537159 0.0000000 0.1732877 0.0000000 3.2437449 0.0000000 0.5897779 0.0000000 3.6421575 19 Pb 3.6537159 0.0000000 -0.1732877 0.0000000 3.2437449 0.0000000 -0.5897779 0.0000000 3.6421575 20 Pb 3.6537159 0.0000000 -0.1732877 0.0000000 3.2437449 0.0000000 -0.5897779 0.0000000 3.6421575 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1490 Number of blocks in projector: 1490 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1490, 1465), data: False |-- (200, 200), data: True |-- (200, 200), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 320 - Time: 2.311 Solver_block: 200 / 320 - Time: 2.322 Solver_block: 300 / 320 - Time: 2.181 Solver_block: 320 / 320 - Time: 0.546 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.456 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1490 Number of blocks in projector: 1490 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1490, 1465), data: False |-- (200, 200), data: True |-- (200, 200), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 390), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:04:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:04:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.938271000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.719462000000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.689858970000000 Atomic positions (fractional): 1 S 0.51217272926957 0.75000000000000 0.39360828472953 32.065 2 S 0.48782727073043 0.25000000000000 0.60639171527047 32.065 3 S 0.01217272926957 0.75000000000000 0.10639171527047 32.065 4 S 0.98782727073043 0.25000000000000 0.89360828472953 32.065 5 S 0.66943305652510 0.75000000000000 0.98757039298962 32.065 6 S 0.33056694347490 0.25000000000000 0.01242960701038 32.065 7 S 0.16943305652511 0.75000000000000 0.51242960701038 32.065 8 S 0.83056694347490 0.25000000000000 0.48757039298962 32.065 9 S 0.72898953386761 0.25000000000000 0.21724778241489 32.065 10 S 0.27101046613239 0.75000000000000 0.78275221758511 32.065 11 S 0.22898953386761 0.25000000000000 0.28275221758511 32.065 12 S 0.77101046613239 0.75000000000000 0.71724778241489 32.065 13 Hf 0.66525275943322 0.75000000000000 0.55054962816486 178.490 14 Hf 0.33474724056678 0.25000000000000 0.44945037183514 178.490 15 Hf 0.16525275943322 0.75000000000000 0.94945037183514 178.490 16 Hf 0.83474724056678 0.25000000000000 0.05054962816486 178.490 17 Pb 0.01441551609053 0.75000000000000 0.32752830122767 207.200 18 Pb 0.98558448390947 0.25000000000000 0.67247169877233 207.200 19 Pb 0.51441551609053 0.75000000000000 0.17247169877233 207.200 20 Pb 0.48558448390947 0.25000000000000 0.82752830122767 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.876542000000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.158386000000004 0.000000000000000 c 0.000000000000000 0.000000000000000 13.689858970000000 Atomic positions (fractional): 1 S 0.25608636463479 0.25000000000000 0.39360828472953 32.065 > 1 2 S 0.75608636463479 0.25000000000000 0.39360828472953 32.065 > 1 3 S 0.25608636463479 0.58333333333333 0.39360828472953 32.065 > 1 4 S 0.75608636463479 0.58333333333333 0.39360828472953 32.065 > 1 5 S 0.25608636463479 0.91666666666667 0.39360828472953 32.065 > 1 6 S 0.75608636463479 0.91666666666667 0.39360828472953 32.065 > 1 7 S 0.24391363536521 0.08333333333333 0.60639171527047 32.065 > 7 8 S 0.74391363536521 0.08333333333333 0.60639171527047 32.065 > 7 9 S 0.24391363536521 0.41666666666667 0.60639171527047 32.065 > 7 10 S 0.74391363536521 0.41666666666667 0.60639171527047 32.065 > 7 11 S 0.24391363536521 0.75000000000000 0.60639171527047 32.065 > 7 12 S 0.74391363536521 0.75000000000000 0.60639171527047 32.065 > 7 13 S 0.00608636463479 0.25000000000000 0.10639171527047 32.065 > 13 14 S 0.50608636463479 0.25000000000000 0.10639171527047 32.065 > 13 15 S 0.00608636463479 0.58333333333333 0.10639171527047 32.065 > 13 16 S 0.50608636463479 0.58333333333333 0.10639171527047 32.065 > 13 17 S 0.00608636463479 0.91666666666667 0.10639171527047 32.065 > 13 18 S 0.50608636463479 0.91666666666667 0.10639171527047 32.065 > 13 19 S 0.49391363536521 0.08333333333333 0.89360828472953 32.065 > 19 20 S 0.99391363536521 0.08333333333333 0.89360828472953 32.065 > 19 21 S 0.49391363536521 0.41666666666667 0.89360828472953 32.065 > 19 22 S 0.99391363536521 0.41666666666667 0.89360828472953 32.065 > 19 23 S 0.49391363536521 0.75000000000000 0.89360828472953 32.065 > 19 24 S 0.99391363536521 0.75000000000000 0.89360828472953 32.065 > 19 25 S 0.33471652826255 0.25000000000000 0.98757039298962 32.065 > 25 26 S 0.83471652826255 0.25000000000000 0.98757039298962 32.065 > 25 27 S 0.33471652826255 0.58333333333333 0.98757039298962 32.065 > 25 28 S 0.83471652826255 0.58333333333333 0.98757039298962 32.065 > 25 29 S 0.33471652826255 0.91666666666667 0.98757039298962 32.065 > 25 30 S 0.83471652826255 0.91666666666667 0.98757039298962 32.065 > 25 31 S 0.16528347173745 0.08333333333333 0.01242960701038 32.065 > 31 32 S 0.66528347173745 0.08333333333333 0.01242960701038 32.065 > 31 33 S 0.16528347173745 0.41666666666667 0.01242960701038 32.065 > 31 34 S 0.66528347173745 0.41666666666667 0.01242960701038 32.065 > 31 35 S 0.16528347173745 0.75000000000000 0.01242960701038 32.065 > 31 36 S 0.66528347173745 0.75000000000000 0.01242960701038 32.065 > 31 37 S 0.08471652826255 0.25000000000000 0.51242960701038 32.065 > 37 38 S 0.58471652826255 0.25000000000000 0.51242960701038 32.065 > 37 39 S 0.08471652826255 0.58333333333333 0.51242960701038 32.065 > 37 40 S 0.58471652826255 0.58333333333333 0.51242960701038 32.065 > 37 41 S 0.08471652826255 0.91666666666667 0.51242960701038 32.065 > 37 42 S 0.58471652826255 0.91666666666667 0.51242960701038 32.065 > 37 43 S 0.41528347173745 0.08333333333333 0.48757039298962 32.065 > 43 44 S 0.91528347173745 0.08333333333333 0.48757039298962 32.065 > 43 45 S 0.41528347173745 0.41666666666667 0.48757039298962 32.065 > 43 46 S 0.91528347173745 0.41666666666667 0.48757039298962 32.065 > 43 47 S 0.41528347173745 0.75000000000000 0.48757039298962 32.065 > 43 48 S 0.91528347173745 0.75000000000000 0.48757039298962 32.065 > 43 49 S 0.36449476693381 0.08333333333333 0.21724778241489 32.065 > 49 50 S 0.86449476693381 0.08333333333333 0.21724778241489 32.065 > 49 51 S 0.36449476693381 0.41666666666667 0.21724778241489 32.065 > 49 52 S 0.86449476693381 0.41666666666667 0.21724778241489 32.065 > 49 53 S 0.36449476693381 0.75000000000000 0.21724778241489 32.065 > 49 54 S 0.86449476693381 0.75000000000000 0.21724778241489 32.065 > 49 55 S 0.13550523306619 0.25000000000000 0.78275221758511 32.065 > 55 56 S 0.63550523306619 0.25000000000000 0.78275221758511 32.065 > 55 57 S 0.13550523306619 0.58333333333333 0.78275221758511 32.065 > 55 58 S 0.63550523306619 0.58333333333333 0.78275221758511 32.065 > 55 59 S 0.13550523306619 0.91666666666667 0.78275221758511 32.065 > 55 60 S 0.63550523306619 0.91666666666667 0.78275221758511 32.065 > 55 61 S 0.11449476693381 0.08333333333333 0.28275221758511 32.065 > 61 62 S 0.61449476693381 0.08333333333333 0.28275221758511 32.065 > 61 63 S 0.11449476693381 0.41666666666667 0.28275221758511 32.065 > 61 64 S 0.61449476693381 0.41666666666667 0.28275221758511 32.065 > 61 65 S 0.11449476693381 0.75000000000000 0.28275221758511 32.065 > 61 66 S 0.61449476693381 0.75000000000000 0.28275221758511 32.065 > 61 67 S 0.38550523306619 0.25000000000000 0.71724778241489 32.065 > 67 68 S 0.88550523306619 0.25000000000000 0.71724778241489 32.065 > 67 69 S 0.38550523306619 0.58333333333333 0.71724778241489 32.065 > 67 70 S 0.88550523306619 0.58333333333333 0.71724778241489 32.065 > 67 71 S 0.38550523306619 0.91666666666667 0.71724778241489 32.065 > 67 72 S 0.88550523306619 0.91666666666667 0.71724778241489 32.065 > 67 73 Hf 0.33262637971661 0.25000000000000 0.55054962816486 178.490 > 73 74 Hf 0.83262637971661 0.25000000000000 0.55054962816486 178.490 > 73 75 Hf 0.33262637971661 0.58333333333333 0.55054962816486 178.490 > 73 76 Hf 0.83262637971661 0.58333333333333 0.55054962816486 178.490 > 73 77 Hf 0.33262637971661 0.91666666666667 0.55054962816486 178.490 > 73 78 Hf 0.83262637971661 0.91666666666667 0.55054962816486 178.490 > 73 79 Hf 0.16737362028339 0.08333333333333 0.44945037183514 178.490 > 79 80 Hf 0.66737362028339 0.08333333333333 0.44945037183514 178.490 > 79 81 Hf 0.16737362028339 0.41666666666667 0.44945037183514 178.490 > 79 82 Hf 0.66737362028339 0.41666666666667 0.44945037183514 178.490 > 79 83 Hf 0.16737362028339 0.75000000000000 0.44945037183514 178.490 > 79 84 Hf 0.66737362028339 0.75000000000000 0.44945037183514 178.490 > 79 85 Hf 0.08262637971661 0.25000000000000 0.94945037183514 178.490 > 85 86 Hf 0.58262637971661 0.25000000000000 0.94945037183514 178.490 > 85 87 Hf 0.08262637971661 0.58333333333333 0.94945037183514 178.490 > 85 88 Hf 0.58262637971661 0.58333333333333 0.94945037183514 178.490 > 85 89 Hf 0.08262637971661 0.91666666666667 0.94945037183514 178.490 > 85 90 Hf 0.58262637971661 0.91666666666667 0.94945037183514 178.490 > 85 91 Hf 0.41737362028339 0.08333333333333 0.05054962816486 178.490 > 91 92 Hf 0.91737362028339 0.08333333333333 0.05054962816486 178.490 > 91 93 Hf 0.41737362028339 0.41666666666667 0.05054962816486 178.490 > 91 94 Hf 0.91737362028339 0.41666666666667 0.05054962816486 178.490 > 91 95 Hf 0.41737362028339 0.75000000000000 0.05054962816486 178.490 > 91 96 Hf 0.91737362028339 0.75000000000000 0.05054962816486 178.490 > 91 97 Pb 0.00720775804527 0.25000000000000 0.32752830122767 207.200 > 97 98 Pb 0.50720775804527 0.25000000000000 0.32752830122767 207.200 > 97 99 Pb 0.00720775804527 0.58333333333333 0.32752830122767 207.200 > 97 100 Pb 0.50720775804527 0.58333333333333 0.32752830122767 207.200 > 97 101 Pb 0.00720775804527 0.91666666666667 0.32752830122767 207.200 > 97 102 Pb 0.50720775804527 0.91666666666667 0.32752830122767 207.200 > 97 103 Pb 0.49279224195473 0.08333333333333 0.67247169877233 207.200 > 103 104 Pb 0.99279224195473 0.08333333333333 0.67247169877233 207.200 > 103 105 Pb 0.49279224195473 0.41666666666667 0.67247169877233 207.200 > 103 106 Pb 0.99279224195473 0.41666666666667 0.67247169877233 207.200 > 103 107 Pb 0.49279224195473 0.75000000000000 0.67247169877233 207.200 > 103 108 Pb 0.99279224195473 0.75000000000000 0.67247169877233 207.200 > 103 109 Pb 0.25720775804527 0.25000000000000 0.17247169877233 207.200 > 109 110 Pb 0.75720775804527 0.25000000000000 0.17247169877233 207.200 > 109 111 Pb 0.25720775804527 0.58333333333333 0.17247169877233 207.200 > 109 112 Pb 0.75720775804527 0.58333333333333 0.17247169877233 207.200 > 109 113 Pb 0.25720775804527 0.91666666666667 0.17247169877233 207.200 > 109 114 Pb 0.75720775804527 0.91666666666667 0.17247169877233 207.200 > 109 115 Pb 0.24279224195473 0.08333333333333 0.82752830122767 207.200 > 115 116 Pb 0.74279224195473 0.08333333333333 0.82752830122767 207.200 > 115 117 Pb 0.24279224195473 0.41666666666667 0.82752830122767 207.200 > 115 118 Pb 0.74279224195473 0.41666666666667 0.82752830122767 207.200 > 115 119 Pb 0.24279224195473 0.75000000000000 0.82752830122767 207.200 > 115 120 Pb 0.74279224195473 0.75000000000000 0.82752830122767 207.200 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.6205757 0.0000000 0.0000000 0.0000000 11.4990348 0.0000000 0.0000000 0.0000000 8.7608568 -------------------------- Born effective charges -------------------------- 1 S -2.6935601 0.0000000 -0.4760070 0.0000000 -3.7508414 0.0000000 -0.5546556 0.0000000 -2.6904247 2 S -2.6935601 0.0000000 -0.4760070 0.0000000 -3.7508414 0.0000000 -0.5546556 0.0000000 -2.6904247 3 S -2.6935601 0.0000000 0.4760070 0.0000000 -3.7508414 0.0000000 0.5546556 0.0000000 -2.6904247 4 S -2.6935601 0.0000000 0.4760070 0.0000000 -3.7508414 0.0000000 0.5546556 0.0000000 -2.6904247 5 S -2.7029300 0.0000000 -0.7858587 0.0000000 -4.4610467 0.0000000 -0.1378573 0.0000000 -1.9816896 6 S -2.7029300 0.0000000 -0.7858587 0.0000000 -4.4610467 0.0000000 -0.1378573 0.0000000 -1.9816896 7 S -2.7029300 0.0000000 0.7858587 0.0000000 -4.4610467 0.0000000 0.1378573 0.0000000 -1.9816896 8 S -2.7029300 0.0000000 0.7858587 0.0000000 -4.4610467 0.0000000 0.1378573 0.0000000 -1.9816896 9 S -2.9969708 0.0000000 0.5062715 0.0000000 -2.4061841 0.0000000 0.3350154 0.0000000 -2.2717340 10 S -2.9969708 0.0000000 0.5062715 0.0000000 -2.4061841 0.0000000 0.3350154 0.0000000 -2.2717340 11 S -2.9969708 0.0000000 -0.5062715 0.0000000 -2.4061841 0.0000000 -0.3350154 0.0000000 -2.2717340 12 S -2.9969708 0.0000000 -0.5062715 0.0000000 -2.4061841 0.0000000 -0.3350154 0.0000000 -2.2717340 13 Hf 4.7397451 0.0000000 1.3231783 0.0000000 7.3743273 0.0000000 1.1179290 0.0000000 3.3016907 14 Hf 4.7397451 0.0000000 1.3231783 0.0000000 7.3743273 0.0000000 1.1179290 0.0000000 3.3016907 15 Hf 4.7397451 0.0000000 -1.3231783 0.0000000 7.3743273 0.0000000 -1.1179290 0.0000000 3.3016907 16 Hf 4.7397451 0.0000000 -1.3231783 0.0000000 7.3743273 0.0000000 -1.1179290 0.0000000 3.3016907 17 Pb 3.6537159 0.0000000 0.1732877 0.0000000 3.2437449 0.0000000 0.5897779 0.0000000 3.6421575 18 Pb 3.6537159 0.0000000 0.1732877 0.0000000 3.2437449 0.0000000 0.5897779 0.0000000 3.6421575 19 Pb 3.6537159 0.0000000 -0.1732877 0.0000000 3.2437449 0.0000000 -0.5897779 0.0000000 3.6421575 20 Pb 3.6537159 0.0000000 -0.1732877 0.0000000 3.2437449 0.0000000 -0.5897779 0.0000000 3.6421575 ---------------------------------------------------------------------------- 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[ 25, 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[ 49, 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 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: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (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 2026-01-08 05:04:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:04:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.938271000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.719462000000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.689858970000000 Atomic positions (fractional): 1 S 0.51217272926957 0.75000000000000 0.39360828472953 32.065 2 S 0.48782727073043 0.25000000000000 0.60639171527047 32.065 3 S 0.01217272926957 0.75000000000000 0.10639171527047 32.065 4 S 0.98782727073043 0.25000000000000 0.89360828472953 32.065 5 S 0.66943305652510 0.75000000000000 0.98757039298962 32.065 6 S 0.33056694347490 0.25000000000000 0.01242960701038 32.065 7 S 0.16943305652511 0.75000000000000 0.51242960701038 32.065 8 S 0.83056694347490 0.25000000000000 0.48757039298962 32.065 9 S 0.72898953386761 0.25000000000000 0.21724778241489 32.065 10 S 0.27101046613239 0.75000000000000 0.78275221758511 32.065 11 S 0.22898953386761 0.25000000000000 0.28275221758511 32.065 12 S 0.77101046613239 0.75000000000000 0.71724778241489 32.065 13 Hf 0.66525275943322 0.75000000000000 0.55054962816486 178.490 14 Hf 0.33474724056678 0.25000000000000 0.44945037183514 178.490 15 Hf 0.16525275943322 0.75000000000000 0.94945037183514 178.490 16 Hf 0.83474724056678 0.25000000000000 0.05054962816486 178.490 17 Pb 0.01441551609053 0.75000000000000 0.32752830122767 207.200 18 Pb 0.98558448390947 0.25000000000000 0.67247169877233 207.200 19 Pb 0.51441551609053 0.75000000000000 0.17247169877233 207.200 20 Pb 0.48558448390947 0.25000000000000 0.82752830122767 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.876542000000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.158386000000004 0.000000000000000 c 0.000000000000000 0.000000000000000 13.689858970000000 Atomic positions (fractional): 1 S 0.25608636463479 0.25000000000000 0.39360828472953 32.065 > 1 2 S 0.75608636463479 0.25000000000000 0.39360828472953 32.065 > 1 3 S 0.25608636463479 0.58333333333333 0.39360828472953 32.065 > 1 4 S 0.75608636463479 0.58333333333333 0.39360828472953 32.065 > 1 5 S 0.25608636463479 0.91666666666667 0.39360828472953 32.065 > 1 6 S 0.75608636463479 0.91666666666667 0.39360828472953 32.065 > 1 7 S 0.24391363536521 0.08333333333333 0.60639171527047 32.065 > 7 8 S 0.74391363536521 0.08333333333333 0.60639171527047 32.065 > 7 9 S 0.24391363536521 0.41666666666667 0.60639171527047 32.065 > 7 10 S 0.74391363536521 0.41666666666667 0.60639171527047 32.065 > 7 11 S 0.24391363536521 0.75000000000000 0.60639171527047 32.065 > 7 12 S 0.74391363536521 0.75000000000000 0.60639171527047 32.065 > 7 13 S 0.00608636463479 0.25000000000000 0.10639171527047 32.065 > 13 14 S 0.50608636463479 0.25000000000000 0.10639171527047 32.065 > 13 15 S 0.00608636463479 0.58333333333333 0.10639171527047 32.065 > 13 16 S 0.50608636463479 0.58333333333333 0.10639171527047 32.065 > 13 17 S 0.00608636463479 0.91666666666667 0.10639171527047 32.065 > 13 18 S 0.50608636463479 0.91666666666667 0.10639171527047 32.065 > 13 19 S 0.49391363536521 0.08333333333333 0.89360828472953 32.065 > 19 20 S 0.99391363536521 0.08333333333333 0.89360828472953 32.065 > 19 21 S 0.49391363536521 0.41666666666667 0.89360828472953 32.065 > 19 22 S 0.99391363536521 0.41666666666667 0.89360828472953 32.065 > 19 23 S 0.49391363536521 0.75000000000000 0.89360828472953 32.065 > 19 24 S 0.99391363536521 0.75000000000000 0.89360828472953 32.065 > 19 25 S 0.33471652826255 0.25000000000000 0.98757039298962 32.065 > 25 26 S 0.83471652826255 0.25000000000000 0.98757039298962 32.065 > 25 27 S 0.33471652826255 0.58333333333333 0.98757039298962 32.065 > 25 28 S 0.83471652826255 0.58333333333333 0.98757039298962 32.065 > 25 29 S 0.33471652826255 0.91666666666667 0.98757039298962 32.065 > 25 30 S 0.83471652826255 0.91666666666667 0.98757039298962 32.065 > 25 31 S 0.16528347173745 0.08333333333333 0.01242960701038 32.065 > 31 32 S 0.66528347173745 0.08333333333333 0.01242960701038 32.065 > 31 33 S 0.16528347173745 0.41666666666667 0.01242960701038 32.065 > 31 34 S 0.66528347173745 0.41666666666667 0.01242960701038 32.065 > 31 35 S 0.16528347173745 0.75000000000000 0.01242960701038 32.065 > 31 36 S 0.66528347173745 0.75000000000000 0.01242960701038 32.065 > 31 37 S 0.08471652826255 0.25000000000000 0.51242960701038 32.065 > 37 38 S 0.58471652826255 0.25000000000000 0.51242960701038 32.065 > 37 39 S 0.08471652826255 0.58333333333333 0.51242960701038 32.065 > 37 40 S 0.58471652826255 0.58333333333333 0.51242960701038 32.065 > 37 41 S 0.08471652826255 0.91666666666667 0.51242960701038 32.065 > 37 42 S 0.58471652826255 0.91666666666667 0.51242960701038 32.065 > 37 43 S 0.41528347173745 0.08333333333333 0.48757039298962 32.065 > 43 44 S 0.91528347173745 0.08333333333333 0.48757039298962 32.065 > 43 45 S 0.41528347173745 0.41666666666667 0.48757039298962 32.065 > 43 46 S 0.91528347173745 0.41666666666667 0.48757039298962 32.065 > 43 47 S 0.41528347173745 0.75000000000000 0.48757039298962 32.065 > 43 48 S 0.91528347173745 0.75000000000000 0.48757039298962 32.065 > 43 49 S 0.36449476693381 0.08333333333333 0.21724778241489 32.065 > 49 50 S 0.86449476693381 0.08333333333333 0.21724778241489 32.065 > 49 51 S 0.36449476693381 0.41666666666667 0.21724778241489 32.065 > 49 52 S 0.86449476693381 0.41666666666667 0.21724778241489 32.065 > 49 53 S 0.36449476693381 0.75000000000000 0.21724778241489 32.065 > 49 54 S 0.86449476693381 0.75000000000000 0.21724778241489 32.065 > 49 55 S 0.13550523306619 0.25000000000000 0.78275221758511 32.065 > 55 56 S 0.63550523306619 0.25000000000000 0.78275221758511 32.065 > 55 57 S 0.13550523306619 0.58333333333333 0.78275221758511 32.065 > 55 58 S 0.63550523306619 0.58333333333333 0.78275221758511 32.065 > 55 59 S 0.13550523306619 0.91666666666667 0.78275221758511 32.065 > 55 60 S 0.63550523306619 0.91666666666667 0.78275221758511 32.065 > 55 61 S 0.11449476693381 0.08333333333333 0.28275221758511 32.065 > 61 62 S 0.61449476693381 0.08333333333333 0.28275221758511 32.065 > 61 63 S 0.11449476693381 0.41666666666667 0.28275221758511 32.065 > 61 64 S 0.61449476693381 0.41666666666667 0.28275221758511 32.065 > 61 65 S 0.11449476693381 0.75000000000000 0.28275221758511 32.065 > 61 66 S 0.61449476693381 0.75000000000000 0.28275221758511 32.065 > 61 67 S 0.38550523306619 0.25000000000000 0.71724778241489 32.065 > 67 68 S 0.88550523306619 0.25000000000000 0.71724778241489 32.065 > 67 69 S 0.38550523306619 0.58333333333333 0.71724778241489 32.065 > 67 70 S 0.88550523306619 0.58333333333333 0.71724778241489 32.065 > 67 71 S 0.38550523306619 0.91666666666667 0.71724778241489 32.065 > 67 72 S 0.88550523306619 0.91666666666667 0.71724778241489 32.065 > 67 73 Hf 0.33262637971661 0.25000000000000 0.55054962816486 178.490 > 73 74 Hf 0.83262637971661 0.25000000000000 0.55054962816486 178.490 > 73 75 Hf 0.33262637971661 0.58333333333333 0.55054962816486 178.490 > 73 76 Hf 0.83262637971661 0.58333333333333 0.55054962816486 178.490 > 73 77 Hf 0.33262637971661 0.91666666666667 0.55054962816486 178.490 > 73 78 Hf 0.83262637971661 0.91666666666667 0.55054962816486 178.490 > 73 79 Hf 0.16737362028339 0.08333333333333 0.44945037183514 178.490 > 79 80 Hf 0.66737362028339 0.08333333333333 0.44945037183514 178.490 > 79 81 Hf 0.16737362028339 0.41666666666667 0.44945037183514 178.490 > 79 82 Hf 0.66737362028339 0.41666666666667 0.44945037183514 178.490 > 79 83 Hf 0.16737362028339 0.75000000000000 0.44945037183514 178.490 > 79 84 Hf 0.66737362028339 0.75000000000000 0.44945037183514 178.490 > 79 85 Hf 0.08262637971661 0.25000000000000 0.94945037183514 178.490 > 85 86 Hf 0.58262637971661 0.25000000000000 0.94945037183514 178.490 > 85 87 Hf 0.08262637971661 0.58333333333333 0.94945037183514 178.490 > 85 88 Hf 0.58262637971661 0.58333333333333 0.94945037183514 178.490 > 85 89 Hf 0.08262637971661 0.91666666666667 0.94945037183514 178.490 > 85 90 Hf 0.58262637971661 0.91666666666667 0.94945037183514 178.490 > 85 91 Hf 0.41737362028339 0.08333333333333 0.05054962816486 178.490 > 91 92 Hf 0.91737362028339 0.08333333333333 0.05054962816486 178.490 > 91 93 Hf 0.41737362028339 0.41666666666667 0.05054962816486 178.490 > 91 94 Hf 0.91737362028339 0.41666666666667 0.05054962816486 178.490 > 91 95 Hf 0.41737362028339 0.75000000000000 0.05054962816486 178.490 > 91 96 Hf 0.91737362028339 0.75000000000000 0.05054962816486 178.490 > 91 97 Pb 0.00720775804527 0.25000000000000 0.32752830122767 207.200 > 97 98 Pb 0.50720775804527 0.25000000000000 0.32752830122767 207.200 > 97 99 Pb 0.00720775804527 0.58333333333333 0.32752830122767 207.200 > 97 100 Pb 0.50720775804527 0.58333333333333 0.32752830122767 207.200 > 97 101 Pb 0.00720775804527 0.91666666666667 0.32752830122767 207.200 > 97 102 Pb 0.50720775804527 0.91666666666667 0.32752830122767 207.200 > 97 103 Pb 0.49279224195473 0.08333333333333 0.67247169877233 207.200 > 103 104 Pb 0.99279224195473 0.08333333333333 0.67247169877233 207.200 > 103 105 Pb 0.49279224195473 0.41666666666667 0.67247169877233 207.200 > 103 106 Pb 0.99279224195473 0.41666666666667 0.67247169877233 207.200 > 103 107 Pb 0.49279224195473 0.75000000000000 0.67247169877233 207.200 > 103 108 Pb 0.99279224195473 0.75000000000000 0.67247169877233 207.200 > 103 109 Pb 0.25720775804527 0.25000000000000 0.17247169877233 207.200 > 109 110 Pb 0.75720775804527 0.25000000000000 0.17247169877233 207.200 > 109 111 Pb 0.25720775804527 0.58333333333333 0.17247169877233 207.200 > 109 112 Pb 0.75720775804527 0.58333333333333 0.17247169877233 207.200 > 109 113 Pb 0.25720775804527 0.91666666666667 0.17247169877233 207.200 > 109 114 Pb 0.75720775804527 0.91666666666667 0.17247169877233 207.200 > 109 115 Pb 0.24279224195473 0.08333333333333 0.82752830122767 207.200 > 115 116 Pb 0.74279224195473 0.08333333333333 0.82752830122767 207.200 > 115 117 Pb 0.24279224195473 0.41666666666667 0.82752830122767 207.200 > 115 118 Pb 0.74279224195473 0.41666666666667 0.82752830122767 207.200 > 115 119 Pb 0.24279224195473 0.75000000000000 0.82752830122767 207.200 > 115 120 Pb 0.74279224195473 0.75000000000000 0.82752830122767 207.200 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.6205757 0.0000000 0.0000000 0.0000000 11.4990348 0.0000000 0.0000000 0.0000000 8.7608568 -------------------------- Born effective charges -------------------------- 1 S -2.6935601 0.0000000 -0.4760070 0.0000000 -3.7508414 0.0000000 -0.5546556 0.0000000 -2.6904247 2 S -2.6935601 0.0000000 -0.4760070 0.0000000 -3.7508414 0.0000000 -0.5546556 0.0000000 -2.6904247 3 S -2.6935601 0.0000000 0.4760070 0.0000000 -3.7508414 0.0000000 0.5546556 0.0000000 -2.6904247 4 S -2.6935601 0.0000000 0.4760070 0.0000000 -3.7508414 0.0000000 0.5546556 0.0000000 -2.6904247 5 S -2.7029300 0.0000000 -0.7858587 0.0000000 -4.4610467 0.0000000 -0.1378573 0.0000000 -1.9816896 6 S -2.7029300 0.0000000 -0.7858587 0.0000000 -4.4610467 0.0000000 -0.1378573 0.0000000 -1.9816896 7 S -2.7029300 0.0000000 0.7858587 0.0000000 -4.4610467 0.0000000 0.1378573 0.0000000 -1.9816896 8 S -2.7029300 0.0000000 0.7858587 0.0000000 -4.4610467 0.0000000 0.1378573 0.0000000 -1.9816896 9 S -2.9969708 0.0000000 0.5062715 0.0000000 -2.4061841 0.0000000 0.3350154 0.0000000 -2.2717340 10 S -2.9969708 0.0000000 0.5062715 0.0000000 -2.4061841 0.0000000 0.3350154 0.0000000 -2.2717340 11 S -2.9969708 0.0000000 -0.5062715 0.0000000 -2.4061841 0.0000000 -0.3350154 0.0000000 -2.2717340 12 S -2.9969708 0.0000000 -0.5062715 0.0000000 -2.4061841 0.0000000 -0.3350154 0.0000000 -2.2717340 13 Hf 4.7397451 0.0000000 1.3231783 0.0000000 7.3743273 0.0000000 1.1179290 0.0000000 3.3016907 14 Hf 4.7397451 0.0000000 1.3231783 0.0000000 7.3743273 0.0000000 1.1179290 0.0000000 3.3016907 15 Hf 4.7397451 0.0000000 -1.3231783 0.0000000 7.3743273 0.0000000 -1.1179290 0.0000000 3.3016907 16 Hf 4.7397451 0.0000000 -1.3231783 0.0000000 7.3743273 0.0000000 -1.1179290 0.0000000 3.3016907 17 Pb 3.6537159 0.0000000 0.1732877 0.0000000 3.2437449 0.0000000 0.5897779 0.0000000 3.6421575 18 Pb 3.6537159 0.0000000 0.1732877 0.0000000 3.2437449 0.0000000 0.5897779 0.0000000 3.6421575 19 Pb 3.6537159 0.0000000 -0.1732877 0.0000000 3.2437449 0.0000000 -0.5897779 0.0000000 3.6421575 20 Pb 3.6537159 0.0000000 -0.1732877 0.0000000 3.2437449 0.0000000 -0.5897779 0.0000000 3.6421575 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 6 13 4 ] 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: 0.54, Number of G-points: 283, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 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 0.758 ( 0.000 0.000 0.000) 0.000 0.788 ( 0.000 0.000 0.000) 0.000 1.128 ( 0.000 0.000 0.000) 0.000 1.165 ( 0.000 0.000 0.000) 0.000 1.194 ( 0.000 0.000 0.000) 0.000 1.235 ( 0.000 0.000 0.000) 0.000 1.271 ( 0.000 0.000 0.000) 0.000 1.374 ( 0.000 0.000 0.000) 0.000 1.463 ( 0.000 0.000 0.000) 0.000 1.464 ( 0.000 0.000 0.000) 0.000 1.676 ( 0.000 0.000 0.000) 0.000 1.762 ( 0.000 0.000 0.000) 0.000 1.780 ( 0.000 0.000 0.000) 0.000 1.796 ( 0.000 0.000 0.000) 0.000 1.896 ( 0.000 0.000 0.000) 0.000 1.919 ( 0.000 0.000 0.000) 0.000 2.145 ( 0.000 0.000 0.000) 0.000 2.524 ( 0.000 0.000 0.000) 0.000 2.759 ( 0.000 0.000 0.000) 0.000 3.587 ( 0.000 0.000 0.000) 0.000 3.624 ( 0.000 0.000 0.000) 0.000 4.572 ( 0.000 0.000 0.000) 0.000 4.821 ( 0.000 0.000 0.000) 0.000 5.007 ( 0.000 0.000 0.000) 0.000 5.065 ( 0.000 0.000 0.000) 0.000 5.430 ( 0.000 0.000 0.000) 0.000 5.550 ( 0.000 0.000 0.000) 0.000 5.611 ( 0.000 0.000 0.000) 0.000 5.800 ( 0.000 0.000 0.000) 0.000 5.904 ( 0.000 0.000 0.000) 0.000 5.948 ( 0.000 0.000 0.000) 0.000 6.021 ( 0.000 0.000 0.000) 0.000 6.054 ( 0.000 0.000 0.000) 0.000 6.112 ( 0.000 0.000 0.000) 0.000 6.383 ( 0.000 0.000 0.000) 0.000 6.444 ( 0.000 0.000 0.000) 0.000 6.940 ( 0.000 0.000 0.000) 0.000 7.306 ( 0.000 0.000 0.000) 0.000 7.353 ( 0.000 0.000 0.000) 0.000 7.584 ( 0.000 0.000 0.000) 0.000 7.629 ( 0.000 0.000 0.000) 0.000 7.634 ( 0.000 0.000 0.000) 0.000 7.666 ( 0.000 0.000 0.000) 0.000 7.698 ( 0.000 0.000 0.000) 0.000 7.876 ( 0.000 0.000 0.000) 0.000 8.231 ( 0.000 0.000 0.000) 0.000 8.254 ( 0.000 0.000 0.000) 0.000 8.711 ( 0.000 0.000 0.000) 0.000 8.815 ( 0.000 0.000 0.000) 0.000 8.933 ( 0.000 0.000 0.000) 0.000 9.015 ( 0.000 0.000 0.000) 0.000 9.346 ( 0.000 0.000 0.000) 0.000 9.402 ( 0.000 0.000 0.000) 0.000 9.845 ( 0.000 0.000 0.000) 0.000 9.893 ( 0.000 0.000 0.000) 0.000 9.922 ( 0.000 0.000 0.000) 0.000 9.955 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.288 ( 15.059 0.000 0.000) 15.059 0.410 ( 20.612 0.000 0.000) 20.612 0.439 ( 22.238 0.000 0.000) 22.238 0.783 ( 0.319 0.000 0.000) 0.319 0.821 ( 6.006 0.000 0.000) 6.006 1.123 ( -0.469 0.000 0.000) 0.469 1.133 ( -2.486 0.000 0.000) 2.486 1.178 ( -1.765 0.000 0.000) 1.765 1.285 ( 1.547 0.000 0.000) 1.547 1.299 ( 5.476 0.000 0.000) 5.476 1.370 ( -1.114 0.000 0.000) 1.114 1.462 ( -0.006 0.000 0.000) 0.006 1.469 ( 0.507 0.000 0.000) 0.507 1.677 ( -1.028 0.000 0.000) 1.028 1.749 ( -1.272 0.000 0.000) 1.272 1.781 ( -1.581 0.000 0.000) 1.581 1.814 ( 3.850 0.000 0.000) 3.850 1.863 ( -3.079 0.000 0.000) 3.079 2.059 ( 0.244 0.000 0.000) 0.244 2.107 ( -3.762 0.000 0.000) 3.762 2.608 ( -1.003 0.000 0.000) 1.003 2.768 ( 0.434 0.000 0.000) 0.434 3.575 ( -1.198 0.000 0.000) 1.198 3.595 ( -2.736 0.000 0.000) 2.736 4.641 ( 7.093 0.000 0.000) 7.093 4.859 ( 3.860 0.000 0.000) 3.860 5.075 ( -0.698 0.000 0.000) 0.698 5.093 ( 2.383 0.000 0.000) 2.383 5.425 ( -0.683 0.000 0.000) 0.683 5.476 ( -6.569 0.000 0.000) 6.569 5.586 ( -2.813 0.000 0.000) 2.813 5.724 ( -7.294 0.000 0.000) 7.294 5.933 ( -1.247 0.000 0.000) 1.247 5.993 ( -1.779 0.000 0.000) 1.779 6.099 ( 2.867 0.000 0.000) 2.867 6.120 ( 0.820 0.000 0.000) 0.820 6.419 ( 3.079 0.000 0.000) 3.079 6.457 ( 1.369 0.000 0.000) 1.369 6.970 ( 2.830 0.000 0.000) 2.830 7.094 ( 0.383 0.000 0.000) 0.383 7.337 ( 3.114 0.000 0.000) 3.114 7.372 ( 2.004 0.000 0.000) 2.004 7.573 ( -1.184 0.000 0.000) 1.184 7.614 ( -4.930 0.000 0.000) 4.930 7.619 ( -1.625 0.000 0.000) 1.625 7.622 ( -5.469 0.000 0.000) 5.469 7.989 ( 9.528 0.000 0.000) 9.528 8.234 ( 1.407 0.000 0.000) 1.407 8.265 ( 1.059 0.000 0.000) 1.059 8.694 ( -1.898 0.000 0.000) 1.898 8.802 ( -1.378 0.000 0.000) 1.378 8.840 ( -5.421 0.000 0.000) 5.421 8.999 ( 3.414 0.000 0.000) 3.414 9.017 ( 0.445 0.000 0.000) 0.445 9.333 ( -1.288 0.000 0.000) 1.288 9.382 ( -2.285 0.000 0.000) 2.285 9.835 ( -0.681 0.000 0.000) 0.681 9.914 ( 1.888 0.000 0.000) 1.888 9.917 ( -2.202 0.000 0.000) 2.202 9.980 ( 1.109 0.000 0.000) 1.109 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 13.275 0.000 0.000) 13.275 0.748 ( 15.315 0.000 0.000) 15.315 0.772 ( 10.469 0.000 0.000) 10.469 0.840 ( 6.316 0.000 0.000) 6.316 0.944 ( 6.125 0.000 0.000) 6.125 1.084 ( -2.473 0.000 0.000) 2.473 1.108 ( -1.356 0.000 0.000) 1.356 1.124 ( -4.108 0.000 0.000) 4.108 1.314 ( -3.065 0.000 0.000) 3.065 1.328 ( 2.671 0.000 0.000) 2.671 1.414 ( 5.474 0.000 0.000) 5.474 1.466 ( 0.455 0.000 0.000) 0.455 1.479 ( 0.380 0.000 0.000) 0.380 1.608 ( -6.128 0.000 0.000) 6.128 1.722 ( -1.321 0.000 0.000) 1.321 1.744 ( -2.160 0.000 0.000) 2.160 1.811 ( -1.438 0.000 0.000) 1.438 1.895 ( 2.203 0.000 0.000) 2.203 2.032 ( -2.284 0.000 0.000) 2.284 2.075 ( 0.964 0.000 0.000) 0.964 2.604 ( 1.305 0.000 0.000) 1.305 2.751 ( -2.803 0.000 0.000) 2.803 3.542 ( -2.294 0.000 0.000) 2.294 3.547 ( -1.646 0.000 0.000) 1.646 4.813 ( 10.310 0.000 0.000) 10.310 4.946 ( 4.511 0.000 0.000) 4.511 5.067 ( 0.137 0.000 0.000) 0.137 5.120 ( -0.368 0.000 0.000) 0.368 5.372 ( -3.010 0.000 0.000) 3.010 5.402 ( -1.706 0.000 0.000) 1.706 5.509 ( -4.837 0.000 0.000) 4.837 5.563 ( -8.870 0.000 0.000) 8.870 5.918 ( -0.108 0.000 0.000) 0.108 5.959 ( -1.770 0.000 0.000) 1.770 6.138 ( 0.979 0.000 0.000) 0.979 6.140 ( 1.393 0.000 0.000) 1.393 6.473 ( 2.346 0.000 0.000) 2.346 6.488 ( 1.529 0.000 0.000) 1.529 7.026 ( 2.826 0.000 0.000) 2.826 7.094 ( -0.568 0.000 0.000) 0.568 7.412 ( 4.569 0.000 0.000) 4.569 7.422 ( 3.151 0.000 0.000) 3.151 7.520 ( -4.118 0.000 0.000) 4.118 7.532 ( -3.897 0.000 0.000) 3.897 7.540 ( -2.309 0.000 0.000) 2.309 7.574 ( -3.180 0.000 0.000) 3.180 8.196 ( 12.318 0.000 0.000) 12.318 8.264 ( 1.593 0.000 0.000) 1.593 8.285 ( 0.783 0.000 0.000) 0.783 8.620 ( -7.189 0.000 0.000) 7.189 8.752 ( -2.853 0.000 0.000) 2.853 8.768 ( -2.029 0.000 0.000) 2.029 9.040 ( 2.034 0.000 0.000) 2.034 9.057 ( 2.569 0.000 0.000) 2.569 9.301 ( -1.963 0.000 0.000) 1.963 9.322 ( -3.621 0.000 0.000) 3.621 9.828 ( 0.032 0.000 0.000) 0.032 9.875 ( -2.211 0.000 0.000) 2.211 9.953 ( 2.038 0.000 0.000) 2.038 9.993 ( 0.138 0.000 0.000) 0.138 ======================= Grid point 3 (4/84) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -8.346 0.000 0.000) 8.346 0.766 ( 8.346 0.000 0.000) 8.346 0.967 ( -7.128 0.000 0.000) 7.128 0.967 ( 7.128 0.000 0.000) 7.128 0.992 ( -8.316 0.000 0.000) 8.316 0.992 ( 8.316 0.000 0.000) 8.316 1.073 ( -1.549 0.000 0.000) 1.549 1.073 ( 1.549 0.000 0.000) 1.549 1.338 ( -3.175 0.000 0.000) 3.175 1.338 ( 3.175 0.000 0.000) 3.175 1.477 ( -0.550 0.000 0.000) 0.550 1.477 ( 0.550 0.000 0.000) 0.550 1.493 ( -4.408 0.000 0.000) 4.408 1.493 ( 4.408 0.000 0.000) 4.408 1.714 ( -0.703 0.000 0.000) 0.703 1.714 ( 0.703 0.000 0.000) 0.703 1.842 ( -4.506 0.000 0.000) 4.506 1.842 ( 4.506 0.000 0.000) 4.506 2.063 ( -2.581 0.000 0.000) 2.581 2.063 ( 2.581 0.000 0.000) 2.581 2.669 ( -5.051 0.000 0.000) 5.051 2.669 ( 5.051 0.000 0.000) 5.051 3.524 ( -0.381 0.000 0.000) 0.381 3.524 ( 0.381 0.000 0.000) 0.381 4.966 ( -4.048 0.000 0.000) 4.048 4.966 ( 4.048 0.000 0.000) 4.048 5.087 ( -1.997 0.000 0.000) 1.997 5.087 ( 1.997 0.000 0.000) 1.997 5.368 ( -1.585 0.000 0.000) 1.585 5.368 ( 1.585 0.000 0.000) 1.585 5.456 ( -0.998 0.000 0.000) 0.998 5.456 ( 0.998 0.000 0.000) 0.998 5.930 ( -1.261 0.000 0.000) 1.261 5.930 ( 1.261 0.000 0.000) 1.261 6.150 ( -0.173 0.000 0.000) 0.173 6.150 ( 0.173 0.000 0.000) 0.173 6.500 ( -0.416 0.000 0.000) 0.416 6.500 ( 0.416 0.000 0.000) 0.416 7.070 ( -1.895 0.000 0.000) 1.895 7.070 ( 1.895 0.000 0.000) 1.895 7.477 ( -1.227 0.000 0.000) 1.227 7.477 ( 1.227 0.000 0.000) 1.227 7.487 ( -0.627 0.000 0.000) 0.627 7.487 ( 0.627 0.000 0.000) 0.627 7.508 ( -2.447 0.000 0.000) 2.447 7.508 ( 2.447 0.000 0.000) 2.447 8.286 ( -0.606 0.000 0.000) 0.606 8.286 ( 0.606 0.000 0.000) 0.606 8.431 ( -12.152 0.000 0.000) 12.152 8.431 ( 12.152 0.000 0.000) 12.152 8.738 ( -0.855 0.000 0.000) 0.855 8.738 ( 0.855 0.000 0.000) 0.855 9.076 ( -0.958 0.000 0.000) 0.958 9.076 ( 0.958 0.000 0.000) 0.958 9.279 ( -0.335 0.000 0.000) 0.335 9.279 ( 0.335 0.000 0.000) 0.335 9.840 ( -1.326 0.000 0.000) 1.326 9.840 ( 1.326 0.000 0.000) 1.326 9.984 ( -1.126 0.000 0.000) 1.126 9.984 ( 1.126 0.000 0.000) 1.126 ======================= Grid point 7 (5/84) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.312 ( 0.000 15.137 0.000) 15.137 0.314 ( 0.000 18.074 0.000) 18.074 0.682 ( 0.000 31.600 0.000) 31.600 0.859 ( 0.000 6.205 0.000) 6.205 0.892 ( 0.000 9.904 0.000) 9.904 1.147 ( 0.000 -1.236 0.000) 1.236 1.230 ( 0.000 -0.364 0.000) 0.364 1.231 ( 0.000 -2.196 0.000) 2.196 1.235 ( 0.000 8.577 0.000) 8.577 1.298 ( 0.000 8.556 0.000) 8.556 1.341 ( 0.000 -1.862 0.000) 1.862 1.481 ( 0.000 2.903 0.000) 2.903 1.546 ( 0.000 5.921 0.000) 5.921 1.663 ( 0.000 2.337 0.000) 2.337 1.846 ( 0.000 7.669 0.000) 7.669 1.871 ( 0.000 1.670 0.000) 1.670 1.965 ( 0.000 12.092 0.000) 12.092 1.968 ( 0.000 7.566 0.000) 7.566 2.021 ( 0.000 8.677 0.000) 8.677 2.089 ( 0.000 3.835 0.000) 3.835 2.591 ( 0.000 6.737 0.000) 6.737 2.802 ( 0.000 4.416 0.000) 4.416 3.582 ( 0.000 -0.576 0.000) 0.576 3.608 ( 0.000 -1.516 0.000) 1.516 4.928 ( 0.000 -5.445 0.000) 5.445 5.036 ( 0.000 -2.296 0.000) 2.296 5.280 ( 0.000 28.119 0.000) 28.119 5.404 ( 0.000 -2.399 0.000) 2.399 5.575 ( 0.000 9.154 0.000) 9.154 5.715 ( 0.000 7.649 0.000) 7.649 5.899 ( 0.000 4.812 0.000) 4.812 5.967 ( 0.000 5.857 0.000) 5.857 6.006 ( 0.000 8.930 0.000) 8.930 6.105 ( 0.000 4.649 0.000) 4.649 6.147 ( 0.000 14.966 0.000) 14.966 6.301 ( 0.000 17.504 0.000) 17.504 6.384 ( 0.000 0.351 0.000) 0.351 6.412 ( 0.000 -3.042 0.000) 3.042 6.875 ( 0.000 -4.643 0.000) 4.643 7.226 ( 0.000 0.614 0.000) 0.614 7.365 ( 0.000 0.831 0.000) 0.831 7.443 ( 0.000 -8.804 0.000) 8.804 7.547 ( 0.000 -7.436 0.000) 7.436 7.664 ( 0.000 -0.269 0.000) 0.269 7.697 ( 0.000 2.297 0.000) 2.297 7.710 ( 0.000 0.957 0.000) 0.957 7.891 ( 0.000 0.659 0.000) 0.659 8.242 ( 0.000 -0.954 0.000) 0.954 8.267 ( 0.000 3.068 0.000) 3.068 8.614 ( 0.000 -5.197 0.000) 5.197 8.797 ( 0.000 -1.718 0.000) 1.718 8.850 ( 0.000 5.264 0.000) 5.264 8.900 ( 0.000 -2.822 0.000) 2.822 9.009 ( 0.000 -0.578 0.000) 0.578 9.307 ( 0.000 -3.684 0.000) 3.684 9.321 ( 0.000 -7.466 0.000) 7.466 9.829 ( 0.000 -1.412 0.000) 1.412 9.867 ( 0.000 -2.358 0.000) 2.358 9.899 ( 0.000 -2.163 0.000) 2.163 9.929 ( 0.000 -2.416 0.000) 2.416 ======================= Grid point 8 (6/84) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.306 ( 7.186 10.661 0.000) 12.856 0.396 ( 8.153 9.715 0.000) 12.682 0.808 ( -1.784 4.382 0.000) 4.731 0.888 ( 14.916 24.075 0.000) 28.322 0.980 ( 6.301 10.551 0.000) 12.289 1.126 ( -2.028 -0.362 0.000) 2.060 1.238 ( 1.116 7.885 0.000) 7.963 1.243 ( 0.724 -1.882 0.000) 2.016 1.269 ( 2.727 -0.893 0.000) 2.869 1.284 ( -1.019 8.050 0.000) 8.114 1.332 ( -1.445 -1.994 0.000) 2.463 1.463 ( -1.953 1.283 0.000) 2.337 1.551 ( 0.526 5.772 0.000) 5.795 1.659 ( -0.730 2.347 0.000) 2.458 1.858 ( 0.300 7.832 0.000) 7.837 1.862 ( -0.441 -0.212 0.000) 0.490 1.951 ( -1.095 9.359 0.000) 9.423 1.961 ( -0.518 12.394 0.000) 12.405 2.045 ( 2.340 5.031 0.000) 5.549 2.131 ( 3.560 8.397 0.000) 9.120 2.608 ( 1.532 5.611 0.000) 5.816 2.805 ( 0.019 4.100 0.000) 4.100 3.571 ( -1.073 -0.422 0.000) 1.153 3.581 ( -2.583 -1.356 0.000) 2.917 4.919 ( -0.503 -2.891 0.000) 2.935 5.033 ( 0.044 -0.523 0.000) 0.525 5.301 ( 1.391 20.649 0.000) 20.696 5.361 ( -4.915 -0.999 0.000) 5.016 5.494 ( -7.235 11.564 0.000) 13.641 5.602 ( -17.552 23.600 0.000) 29.411 5.729 ( -2.472 11.940 0.000) 12.193 5.847 ( -5.088 7.038 0.000) 8.685 6.044 ( -3.246 5.063 0.000) 6.014 6.054 ( -0.630 10.715 0.000) 10.734 6.213 ( 3.526 12.595 0.000) 13.080 6.259 ( -2.270 10.367 0.000) 10.613 6.418 ( 3.022 0.325 0.000) 3.039 6.455 ( 3.219 2.522 0.000) 4.089 6.917 ( 3.990 -3.526 0.000) 5.325 7.223 ( -2.285 4.388 0.000) 4.947 7.370 ( -6.269 0.917 0.000) 6.336 7.380 ( 1.402 0.206 0.000) 1.417 7.495 ( -4.333 -1.231 0.000) 4.504 7.527 ( -2.206 -6.803 0.000) 7.151 7.621 ( -3.977 -0.244 0.000) 3.985 7.635 ( -5.035 0.002 0.000) 5.035 8.012 ( 10.051 1.568 0.000) 10.172 8.256 ( 1.373 -0.728 0.000) 1.554 8.276 ( 0.908 3.147 0.000) 3.276 8.652 ( 0.247 -3.895 0.000) 3.903 8.785 ( -1.268 -1.600 0.000) 2.042 8.839 ( -4.239 -0.817 0.000) 4.317 8.958 ( 5.569 -1.589 0.000) 5.791 9.008 ( 0.120 -0.894 0.000) 0.902 9.297 ( -1.104 -3.508 0.000) 3.678 9.307 ( -1.581 -6.826 0.000) 7.007 9.816 ( -0.815 -1.654 0.000) 1.844 9.887 ( -1.506 -2.405 0.000) 2.838 9.888 ( 1.752 -2.378 0.000) 2.953 9.942 ( 1.115 -2.990 0.000) 3.191 ======================= Grid point 9 (7/84) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 13.683 -2.802 0.000) 13.967 0.576 ( 9.930 3.501 0.000) 10.529 0.830 ( 4.213 1.490 0.000) 4.469 1.028 ( -3.226 3.504 0.000) 4.763 1.096 ( 4.770 10.750 0.000) 11.761 1.128 ( 2.713 11.694 0.000) 12.005 1.211 ( -3.040 2.107 0.000) 3.699 1.273 ( -1.773 -0.905 0.000) 1.991 1.278 ( 1.733 10.980 0.000) 11.116 1.302 ( 2.202 2.984 0.000) 3.708 1.327 ( 2.625 -4.660 0.000) 5.349 1.414 ( -2.873 -2.413 0.000) 3.751 1.567 ( 1.390 6.183 0.000) 6.337 1.635 ( -1.577 4.730 0.000) 4.986 1.838 ( -1.654 7.615 0.000) 7.792 1.859 ( -0.589 1.566 0.000) 1.673 1.945 ( -0.784 10.621 0.000) 10.650 1.946 ( 0.105 10.564 0.000) 10.564 2.109 ( 4.497 6.689 0.000) 8.060 2.188 ( 1.843 13.389 0.000) 13.515 2.644 ( 2.561 5.439 0.000) 6.011 2.785 ( -2.580 4.059 0.000) 4.810 3.532 ( -2.017 -0.931 0.000) 2.221 3.545 ( -1.637 -0.221 0.000) 1.652 4.938 ( 3.035 -0.096 0.000) 3.037 5.043 ( 0.486 0.066 0.000) 0.490 5.259 ( -3.727 5.557 0.000) 6.691 5.283 ( -3.949 -0.268 0.000) 3.958 5.385 ( -2.868 24.243 0.000) 24.412 5.407 ( -5.204 17.247 0.000) 18.015 5.707 ( -0.961 12.362 0.000) 12.400 5.745 ( -4.654 11.362 0.000) 12.278 5.998 ( -1.731 3.482 0.000) 3.888 6.016 ( -2.557 9.015 0.000) 9.370 6.246 ( 0.517 8.074 0.000) 8.091 6.256 ( 1.099 11.321 0.000) 11.374 6.477 ( 2.950 1.740 0.000) 3.425 6.506 ( 1.904 4.520 0.000) 4.904 6.999 ( 4.332 -1.443 0.000) 4.566 7.143 ( -4.185 4.632 0.000) 6.243 7.355 ( 1.382 -5.832 0.000) 5.993 7.403 ( 0.257 -3.199 0.000) 3.209 7.465 ( -0.083 -1.365 0.000) 1.367 7.479 ( -1.711 -3.340 0.000) 3.753 7.547 ( -3.332 -0.934 0.000) 3.461 7.559 ( -3.327 -1.222 0.000) 3.544 8.224 ( 12.282 2.056 0.000) 12.452 8.285 ( 1.487 0.103 0.000) 1.491 8.295 ( 0.882 2.525 0.000) 2.675 8.614 ( -5.069 -1.090 0.000) 5.184 8.749 ( -3.884 -0.538 0.000) 3.921 8.753 ( -1.936 -1.374 0.000) 2.374 9.022 ( 1.457 -1.872 0.000) 2.372 9.035 ( 2.644 -2.352 0.000) 3.539 9.265 ( -2.451 -5.117 0.000) 5.674 9.268 ( -1.841 -3.142 0.000) 3.641 9.808 ( 0.023 -1.739 0.000) 1.739 9.852 ( -1.997 -1.991 0.000) 2.820 9.922 ( 1.749 -2.824 0.000) 3.322 9.956 ( 0.185 -3.329 0.000) 3.334 ======================= Grid point 10 (8/84) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( -0.168 -1.972 0.000) 1.979 0.696 ( 0.168 -1.972 0.000) 1.979 0.931 ( -5.559 -0.334 0.000) 5.569 0.931 ( 5.559 -0.334 0.000) 5.569 1.112 ( -0.722 8.201 0.000) 8.233 1.112 ( 0.722 8.201 0.000) 8.233 1.220 ( -2.549 4.251 0.000) 4.957 1.220 ( 2.549 4.251 0.000) 4.957 1.328 ( -0.298 6.370 0.000) 6.377 1.328 ( 0.298 6.370 0.000) 6.377 1.368 ( -2.107 -5.115 0.000) 5.531 1.368 ( 2.107 -5.115 0.000) 5.531 1.603 ( -2.014 7.063 0.000) 7.344 1.603 ( 2.014 7.063 0.000) 7.344 1.832 ( -1.284 7.674 0.000) 7.781 1.832 ( 1.284 7.674 0.000) 7.781 1.943 ( -0.326 7.127 0.000) 7.134 1.943 ( 0.326 7.127 0.000) 7.134 2.183 ( -2.472 12.737 0.000) 12.975 2.183 ( 2.472 12.737 0.000) 12.975 2.712 ( -4.543 4.875 0.000) 6.663 2.712 ( 4.543 4.875 0.000) 6.663 3.520 ( -0.641 -0.404 0.000) 0.758 3.520 ( 0.641 -0.404 0.000) 0.758 5.015 ( -3.864 -0.333 0.000) 3.878 5.015 ( 3.864 -0.333 0.000) 3.878 5.232 ( -0.412 -1.918 0.000) 1.961 5.232 ( 0.412 -1.918 0.000) 1.961 5.358 ( -0.083 21.383 0.000) 21.383 5.358 ( 0.083 21.383 0.000) 21.383 5.698 ( -0.489 14.031 0.000) 14.040 5.698 ( 0.489 14.031 0.000) 14.040 5.985 ( -0.489 4.864 0.000) 4.889 5.985 ( 0.489 4.864 0.000) 4.889 6.259 ( -0.541 9.527 0.000) 9.542 6.259 ( 0.541 9.527 0.000) 9.542 6.516 ( -0.907 3.694 0.000) 3.804 6.516 ( 0.907 3.694 0.000) 3.804 7.073 ( -3.678 0.981 0.000) 3.806 7.073 ( 3.678 0.981 0.000) 3.806 7.379 ( -1.616 -7.077 0.000) 7.259 7.379 ( 1.616 -7.077 0.000) 7.259 7.482 ( -0.029 0.067 0.000) 0.073 7.482 ( 0.029 0.067 0.000) 0.073 7.510 ( -0.699 -1.409 0.000) 1.573 7.510 ( 0.699 -1.409 0.000) 1.573 8.302 ( -0.232 1.363 0.000) 1.383 8.302 ( 0.232 1.363 0.000) 1.383 8.451 ( -11.372 1.285 0.000) 11.444 8.451 ( 11.372 1.285 0.000) 11.444 8.725 ( -0.694 -1.210 0.000) 1.395 8.725 ( 0.694 -1.210 0.000) 1.395 9.051 ( -0.922 -2.787 0.000) 2.936 9.051 ( 0.922 -2.787 0.000) 2.936 9.242 ( -0.380 -3.324 0.000) 3.346 9.242 ( 0.380 -3.324 0.000) 3.346 9.820 ( -1.272 -1.777 0.000) 2.186 9.820 ( 1.272 -1.777 0.000) 2.186 9.948 ( -0.956 -3.241 0.000) 3.379 9.948 ( 0.956 -3.241 0.000) 3.379 ======================= Grid point 14 (9/84) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 0.000 12.556 0.000) 12.556 0.712 ( 0.000 19.115 0.000) 19.115 1.011 ( 0.000 7.833 0.000) 7.833 1.013 ( 0.000 1.522 0.000) 1.522 1.127 ( 0.000 -0.465 0.000) 0.465 1.193 ( 0.000 4.681 0.000) 4.681 1.282 ( 0.000 10.594 0.000) 10.594 1.297 ( 0.000 7.684 0.000) 7.684 1.332 ( 0.000 8.014 0.000) 8.014 1.424 ( 0.000 9.154 0.000) 9.154 1.486 ( 0.000 9.053 0.000) 9.053 1.579 ( 0.000 4.990 0.000) 4.990 1.663 ( 0.000 4.992 0.000) 4.992 1.788 ( 0.000 -3.078 0.000) 3.078 1.804 ( 0.000 10.435 0.000) 10.435 2.053 ( 0.000 11.483 0.000) 11.483 2.204 ( 0.000 7.561 0.000) 7.561 2.207 ( 0.000 9.788 0.000) 9.788 2.241 ( 0.000 19.088 0.000) 19.088 2.406 ( 0.000 20.988 0.000) 20.988 2.817 ( 0.000 15.048 0.000) 15.048 2.959 ( 0.000 11.133 0.000) 11.133 3.557 ( 0.000 -1.969 0.000) 1.969 3.559 ( 0.000 -3.185 0.000) 3.185 4.847 ( 0.000 -1.856 0.000) 1.856 4.990 ( 0.000 -1.783 0.000) 1.783 5.340 ( 0.000 -3.601 0.000) 3.601 5.385 ( 0.000 -3.628 0.000) 3.628 5.869 ( 0.000 7.040 0.000) 7.040 5.921 ( 0.000 -2.060 0.000) 2.060 6.090 ( 0.000 18.649 0.000) 18.649 6.118 ( 0.000 7.924 0.000) 7.924 6.198 ( 0.000 1.602 0.000) 1.602 6.247 ( 0.000 13.241 0.000) 13.241 6.324 ( 0.000 -4.971 0.000) 4.971 6.409 ( 0.000 2.260 0.000) 2.260 6.602 ( 0.000 25.448 0.000) 25.448 6.764 ( 0.000 24.769 0.000) 24.769 6.912 ( 0.000 13.824 0.000) 13.824 7.247 ( 0.000 1.338 0.000) 1.338 7.257 ( 0.000 -8.654 0.000) 8.654 7.362 ( 0.000 -9.877 0.000) 9.877 7.383 ( 0.000 1.170 0.000) 1.170 7.651 ( 0.000 -1.079 0.000) 1.079 7.724 ( 0.000 0.849 0.000) 0.849 7.727 ( 0.000 0.523 0.000) 0.523 7.888 ( 0.000 -0.668 0.000) 0.668 8.226 ( 0.000 -0.286 0.000) 0.286 8.337 ( 0.000 3.361 0.000) 3.361 8.513 ( 0.000 -4.511 0.000) 4.511 8.748 ( 0.000 -2.901 0.000) 2.901 8.797 ( 0.000 -6.110 0.000) 6.110 8.968 ( 0.000 4.986 0.000) 4.986 8.987 ( 0.000 -1.773 0.000) 1.773 9.124 ( 0.000 -10.693 0.000) 10.693 9.198 ( 0.000 -6.610 0.000) 6.610 9.797 ( 0.000 -1.250 0.000) 1.250 9.810 ( 0.000 -2.728 0.000) 2.728 9.842 ( 0.000 -2.928 0.000) 2.928 9.861 ( 0.000 -3.847 0.000) 3.847 ======================= Grid point 15 (10/84) ======================= q-point: ( 0.17 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 3.098 11.619 0.000) 12.025 0.663 ( -2.620 19.414 0.000) 19.590 0.926 ( -3.778 5.843 0.000) 6.958 1.102 ( 4.791 1.725 0.000) 5.092 1.106 ( -2.109 -0.153 0.000) 2.114 1.222 ( 1.771 -0.120 0.000) 1.775 1.301 ( -0.581 5.977 0.000) 6.005 1.302 ( -0.724 -0.185 0.000) 0.748 1.379 ( 5.129 18.084 0.000) 18.797 1.447 ( 2.974 10.410 0.000) 10.826 1.459 ( -1.946 7.859 0.000) 8.096 1.551 ( -2.410 7.785 0.000) 8.150 1.667 ( 0.742 5.056 0.000) 5.110 1.787 ( 0.364 6.432 0.000) 6.443 1.831 ( 2.109 2.750 0.000) 3.466 2.033 ( -2.246 9.585 0.000) 9.844 2.183 ( -1.904 8.283 0.000) 8.499 2.212 ( 0.138 10.226 0.000) 10.227 2.286 ( 4.923 19.709 0.000) 20.315 2.450 ( 3.942 19.472 0.000) 19.867 2.826 ( 0.926 14.828 0.000) 14.856 2.958 ( -0.180 10.999 0.000) 11.001 3.539 ( -1.884 -2.607 0.000) 3.216 3.551 ( -0.632 -1.669 0.000) 1.785 4.862 ( 1.771 -1.400 0.000) 2.257 4.999 ( 0.907 -1.596 0.000) 1.836 5.310 ( -3.011 -2.916 0.000) 4.191 5.341 ( -4.474 -2.978 0.000) 5.374 5.848 ( -2.991 7.192 0.000) 7.789 5.869 ( -4.841 -1.797 0.000) 5.164 6.007 ( -6.948 11.463 0.000) 13.404 6.060 ( -2.737 17.877 0.000) 18.085 6.161 ( -3.473 5.655 0.000) 6.636 6.282 ( -4.149 -0.921 0.000) 4.250 6.315 ( 4.384 9.805 0.000) 10.741 6.428 ( 1.626 1.442 0.000) 2.173 6.636 ( 3.354 23.967 0.000) 24.201 6.779 ( 1.344 23.217 0.000) 23.256 6.964 ( 4.715 12.147 0.000) 13.030 7.221 ( -1.085 -4.419 0.000) 4.550 7.296 ( 1.738 -2.398 0.000) 2.961 7.328 ( -2.415 -7.509 0.000) 7.888 7.410 ( 1.642 -1.207 0.000) 2.038 7.569 ( -8.412 1.298 0.000) 8.512 7.628 ( -6.324 -0.617 0.000) 6.354 7.634 ( -5.725 3.825 0.000) 6.885 8.036 ( 11.378 0.702 0.000) 11.400 8.244 ( 1.856 -0.160 0.000) 1.863 8.347 ( 0.867 3.585 0.000) 3.688 8.553 ( 2.449 -5.214 0.000) 5.760 8.740 ( -0.884 -2.690 0.000) 2.831 8.775 ( -2.355 -5.091 0.000) 5.609 8.956 ( -0.751 -0.519 0.000) 0.913 8.976 ( -1.064 -2.394 0.000) 2.620 9.138 ( 0.928 -7.616 0.000) 7.673 9.193 ( -0.534 -6.245 0.000) 6.267 9.780 ( -0.963 -1.516 0.000) 1.796 9.829 ( 1.178 -2.897 0.000) 3.127 9.830 ( -1.139 -2.796 0.000) 3.019 9.867 ( 0.339 -4.132 0.000) 4.146 ======================= Grid point 16 (11/84) ======================= q-point: ( 0.33 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 4.413 13.757 0.000) 14.447 0.718 ( 5.363 9.116 0.000) 10.577 0.898 ( 1.052 4.400 0.000) 4.524 1.044 ( -4.540 0.462 0.000) 4.563 1.175 ( 1.881 -1.012 0.000) 2.136 1.245 ( -0.964 -0.767 0.000) 1.231 1.247 ( -3.270 2.258 0.000) 3.974 1.260 ( -2.166 -0.653 0.000) 2.262 1.430 ( 1.510 13.954 0.000) 14.036 1.463 ( 2.211 9.026 0.000) 9.293 1.504 ( -2.464 11.226 0.000) 11.493 1.516 ( 1.873 9.911 0.000) 10.087 1.711 ( 4.061 7.149 0.000) 8.221 1.795 ( 0.206 9.398 0.000) 9.400 1.874 ( 2.417 1.614 0.000) 2.906 1.978 ( -3.176 6.501 0.000) 7.235 2.149 ( -1.230 9.520 0.000) 9.599 2.197 ( -1.891 11.031 0.000) 11.192 2.412 ( 7.517 19.498 0.000) 20.897 2.517 ( 2.468 17.439 0.000) 17.613 2.850 ( 1.703 14.065 0.000) 14.168 2.944 ( -1.675 11.452 0.000) 11.574 3.507 ( -1.114 -1.428 0.000) 1.811 3.533 ( -1.340 -1.059 0.000) 1.708 4.916 ( 4.019 -0.655 0.000) 4.072 5.020 ( 0.873 -1.310 0.000) 1.574 5.239 ( -5.477 -1.592 0.000) 5.704 5.241 ( -3.931 -1.643 0.000) 4.261 5.755 ( -4.936 9.311 0.000) 10.539 5.771 ( -4.855 1.935 0.000) 5.227 5.946 ( -0.335 9.909 0.000) 9.915 6.006 ( -2.768 12.955 0.000) 13.248 6.103 ( -1.757 8.875 0.000) 9.047 6.187 ( -5.226 3.440 0.000) 6.257 6.390 ( 3.486 9.617 0.000) 10.229 6.451 ( 0.506 4.775 0.000) 4.802 6.712 ( 4.324 20.957 0.000) 21.399 6.800 ( 0.417 20.845 0.000) 20.849 7.060 ( 5.190 9.459 0.000) 10.789 7.206 ( -0.803 -4.381 0.000) 4.454 7.272 ( -4.181 2.444 0.000) 4.844 7.279 ( -2.748 -7.332 0.000) 7.830 7.434 ( 0.991 -1.287 0.000) 1.624 7.472 ( -0.694 1.238 0.000) 1.420 7.533 ( -4.785 2.099 0.000) 5.225 7.538 ( -3.201 -0.447 0.000) 3.232 8.258 ( 11.814 0.748 0.000) 11.838 8.290 ( 2.865 0.595 0.000) 2.926 8.358 ( -0.073 3.447 0.000) 3.448 8.562 ( -2.039 -3.879 0.000) 4.382 8.716 ( -1.519 -2.112 0.000) 2.601 8.718 ( -3.094 -2.593 0.000) 4.037 8.949 ( -0.046 -6.323 0.000) 6.323 8.956 ( -0.789 -4.461 0.000) 4.530 9.148 ( 0.297 -4.810 0.000) 4.820 9.178 ( -1.051 -5.237 0.000) 5.341 9.770 ( -0.021 -1.539 0.000) 1.539 9.805 ( -1.503 -2.246 0.000) 2.703 9.849 ( 0.908 -3.876 0.000) 3.981 9.869 ( -0.106 -4.660 0.000) 4.661 ======================= Grid point 17 (12/84) ======================= q-point: (-0.50 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -2.148 8.124 0.000) 8.403 0.767 ( 2.148 8.124 0.000) 8.403 0.951 ( -4.527 1.861 0.000) 4.895 0.951 ( 4.527 1.861 0.000) 4.895 1.177 ( -2.280 2.141 0.000) 3.127 1.177 ( 2.280 2.141 0.000) 3.127 1.251 ( -1.095 -2.170 0.000) 2.431 1.251 ( 1.095 -2.170 0.000) 2.431 1.462 ( -2.006 13.397 0.000) 13.547 1.462 ( 2.006 13.397 0.000) 13.547 1.508 ( -2.009 8.004 0.000) 8.252 1.508 ( 2.009 8.004 0.000) 8.252 1.779 ( -2.340 8.982 0.000) 9.281 1.779 ( 2.340 8.982 0.000) 9.281 1.922 ( -2.800 3.237 0.000) 4.280 1.922 ( 2.800 3.237 0.000) 4.280 2.154 ( -1.886 11.053 0.000) 11.213 2.154 ( 1.886 11.053 0.000) 11.213 2.518 ( -2.910 17.711 0.000) 17.949 2.518 ( 2.910 17.711 0.000) 17.949 2.895 ( -3.049 12.849 0.000) 13.206 2.895 ( 3.049 12.849 0.000) 13.206 3.507 ( -1.050 -0.801 0.000) 1.321 3.507 ( 1.050 -0.801 0.000) 1.321 4.998 ( -3.724 -0.794 0.000) 3.807 4.998 ( 3.724 -0.794 0.000) 3.807 5.188 ( -0.793 -1.019 0.000) 1.291 5.188 ( 0.793 -1.019 0.000) 1.291 5.714 ( -0.725 6.728 0.000) 6.767 5.714 ( 0.725 6.728 0.000) 6.767 5.962 ( -1.765 9.524 0.000) 9.686 5.962 ( 1.765 9.524 0.000) 9.686 6.111 ( -2.520 7.750 0.000) 8.149 6.111 ( 2.520 7.750 0.000) 8.149 6.440 ( -1.735 8.076 0.000) 8.260 6.440 ( 1.735 8.076 0.000) 8.260 6.780 ( -2.594 19.881 0.000) 20.050 6.780 ( 2.594 19.881 0.000) 20.050 7.153 ( -4.749 6.396 0.000) 7.966 7.153 ( 4.749 6.396 0.000) 7.966 7.237 ( -1.148 -5.571 0.000) 5.688 7.237 ( 1.148 -5.571 0.000) 5.688 7.459 ( -1.989 -1.824 0.000) 2.699 7.459 ( 1.989 -1.824 0.000) 2.699 7.498 ( -1.362 1.450 0.000) 1.989 7.498 ( 1.362 1.450 0.000) 1.989 8.338 ( -2.029 1.955 0.000) 2.817 8.338 ( 2.029 1.955 0.000) 2.817 8.458 ( -8.899 -0.929 0.000) 8.947 8.458 ( 8.899 -0.929 0.000) 8.947 8.693 ( -0.506 -1.766 0.000) 1.838 8.693 ( 0.506 -1.766 0.000) 1.838 8.949 ( -0.056 -6.907 0.000) 6.908 8.949 ( 0.056 -6.907 0.000) 6.908 9.158 ( -0.898 -4.248 0.000) 4.342 9.158 ( 0.898 -4.248 0.000) 4.342 9.780 ( -1.036 -1.752 0.000) 2.036 9.780 ( 1.036 -1.752 0.000) 2.036 9.863 ( -0.580 -4.629 0.000) 4.665 9.863 ( 0.580 -4.629 0.000) 4.665 ======================= Grid point 21 (13/84) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 0.000 8.257 0.000) 8.257 1.040 ( 0.000 1.634 0.000) 1.634 1.041 ( 0.000 9.100 0.000) 9.100 1.158 ( 0.000 6.445 0.000) 6.445 1.166 ( 0.000 6.705 0.000) 6.705 1.203 ( 0.000 -0.028 0.000) 0.028 1.316 ( 0.000 1.375 0.000) 1.375 1.383 ( 0.000 -0.604 0.000) 0.604 1.609 ( 0.000 8.862 0.000) 8.862 1.651 ( 0.000 3.995 0.000) 3.995 1.672 ( 0.000 11.094 0.000) 11.094 1.679 ( 0.000 9.776 0.000) 9.776 1.767 ( 0.000 6.916 0.000) 6.916 1.859 ( 0.000 7.466 0.000) 7.466 2.035 ( 0.000 10.257 0.000) 10.257 2.237 ( 0.000 2.689 0.000) 2.689 2.337 ( 0.000 3.122 0.000) 3.122 2.352 ( 0.000 9.498 0.000) 9.498 2.719 ( 0.000 24.946 0.000) 24.946 2.848 ( 0.000 19.439 0.000) 19.439 3.180 ( 0.000 18.976 0.000) 18.976 3.256 ( 0.000 16.710 0.000) 16.710 3.492 ( 0.000 -1.999 0.000) 1.999 3.500 ( 0.000 -3.094 0.000) 3.094 4.852 ( 0.000 2.092 0.000) 2.092 4.972 ( 0.000 0.102 0.000) 0.102 5.263 ( 0.000 -3.634 0.000) 3.634 5.297 ( 0.000 -4.245 0.000) 4.245 5.831 ( 0.000 -6.175 0.000) 6.175 6.002 ( 0.000 5.674 0.000) 5.674 6.044 ( 0.000 -11.800 0.000) 11.800 6.203 ( 0.000 -5.612 0.000) 5.612 6.276 ( 0.000 7.180 0.000) 7.180 6.344 ( 0.000 7.720 0.000) 7.720 6.467 ( 0.000 2.832 0.000) 2.832 6.536 ( 0.000 13.373 0.000) 13.373 7.051 ( 0.000 -5.548 0.000) 5.548 7.070 ( 0.000 12.480 0.000) 12.480 7.182 ( 0.000 -1.447 0.000) 1.447 7.260 ( 0.000 8.839 0.000) 8.839 7.272 ( 0.000 16.750 0.000) 16.750 7.276 ( 0.000 1.155 0.000) 1.155 7.467 ( 0.000 8.748 0.000) 8.748 7.617 ( 0.000 -2.090 0.000) 2.090 7.757 ( 0.000 4.621 0.000) 4.621 7.761 ( 0.000 3.643 0.000) 3.643 7.883 ( 0.000 0.570 0.000) 0.570 8.239 ( 0.000 1.594 0.000) 1.594 8.397 ( 0.000 2.066 0.000) 2.066 8.431 ( 0.000 -3.363 0.000) 3.363 8.648 ( 0.000 -8.087 0.000) 8.087 8.684 ( 0.000 -3.013 0.000) 3.013 8.915 ( 0.000 -6.000 0.000) 6.000 8.915 ( 0.000 -8.581 0.000) 8.581 9.051 ( 0.000 2.757 0.000) 2.757 9.055 ( 0.000 -6.282 0.000) 6.282 9.773 ( 0.000 -0.464 0.000) 0.464 9.784 ( 0.000 -3.167 0.000) 3.167 9.793 ( 0.000 1.170 0.000) 1.170 9.796 ( 0.000 -1.148 0.000) 1.148 ======================= Grid point 22 (14/84) ======================= q-point: ( 0.17 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 1.942 7.907 0.000) 8.142 1.012 ( -2.554 11.328 0.000) 11.613 1.017 ( -1.943 3.080 0.000) 3.642 1.121 ( -2.630 2.884 0.000) 3.903 1.173 ( 0.908 5.114 0.000) 5.194 1.229 ( 1.332 1.988 0.000) 2.393 1.311 ( -0.675 1.341 0.000) 1.502 1.355 ( -2.866 0.031 0.000) 2.866 1.624 ( -0.694 7.531 0.000) 7.562 1.631 ( 2.121 9.050 0.000) 9.295 1.714 ( 2.962 11.287 0.000) 11.669 1.737 ( 3.173 8.708 0.000) 9.268 1.760 ( 0.161 4.559 0.000) 4.562 1.864 ( 1.131 5.649 0.000) 5.761 2.024 ( -1.170 9.630 0.000) 9.701 2.204 ( -3.448 4.488 0.000) 5.660 2.340 ( -0.881 8.559 0.000) 8.604 2.351 ( 1.209 3.478 0.000) 3.683 2.752 ( 3.317 23.194 0.000) 23.430 2.855 ( 0.603 17.541 0.000) 17.551 3.183 ( 0.225 18.513 0.000) 18.515 3.252 ( -0.335 16.620 0.000) 16.623 3.492 ( -0.065 -0.744 0.000) 0.747 3.504 ( 0.358 -2.257 0.000) 2.285 4.870 ( 1.940 1.933 0.000) 2.739 4.983 ( 1.049 0.115 0.000) 1.056 5.250 ( -1.398 -2.798 0.000) 3.128 5.276 ( -2.331 -3.044 0.000) 3.834 5.756 ( -5.429 -7.563 0.000) 9.310 5.968 ( -4.057 4.513 0.000) 6.069 6.074 ( 0.973 -8.004 0.000) 8.063 6.140 ( -5.928 -1.696 0.000) 6.166 6.262 ( -0.230 5.757 0.000) 5.761 6.352 ( 0.603 8.061 0.000) 8.084 6.472 ( 1.030 3.247 0.000) 3.407 6.567 ( 2.348 11.571 0.000) 11.807 7.057 ( 0.509 -4.827 0.000) 4.854 7.075 ( 0.630 8.843 0.000) 8.865 7.174 ( -0.594 1.864 0.000) 1.956 7.257 ( -1.097 12.943 0.000) 12.989 7.262 ( 0.134 7.302 0.000) 7.303 7.291 ( 0.840 3.100 0.000) 3.212 7.466 ( -0.861 5.270 0.000) 5.340 7.546 ( -6.000 -1.830 0.000) 6.273 7.659 ( -4.308 7.792 0.000) 8.904 7.755 ( -1.110 7.029 0.000) 7.116 8.042 ( 11.091 -0.140 0.000) 11.092 8.259 ( 2.186 1.720 0.000) 2.782 8.417 ( 1.710 2.693 0.000) 3.190 8.451 ( 1.580 -4.266 0.000) 4.549 8.647 ( -0.115 -6.982 0.000) 6.983 8.678 ( -0.631 -3.155 0.000) 3.217 8.847 ( -5.154 -8.036 0.000) 9.547 8.901 ( -1.600 -5.100 0.000) 5.345 9.056 ( 0.127 -6.497 0.000) 6.499 9.084 ( 1.776 0.692 0.000) 1.906 9.767 ( -0.498 0.349 0.000) 0.609 9.782 ( -0.292 -2.373 0.000) 2.391 9.791 ( -0.245 -0.047 0.000) 0.249 9.792 ( -0.375 -1.730 0.000) 1.770 ======================= Grid point 23 (15/84) ======================= q-point: ( 0.33 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 3.555 6.585 0.000) 7.484 0.972 ( -1.309 11.267 0.000) 11.342 0.992 ( -0.355 4.415 0.000) 4.430 1.065 ( -3.363 2.155 0.000) 3.994 1.198 ( 1.608 3.052 0.000) 3.450 1.242 ( 0.091 1.764 0.000) 1.767 1.289 ( -1.649 2.577 0.000) 3.059 1.294 ( -3.000 2.914 0.000) 4.183 1.627 ( 0.741 6.916 0.000) 6.955 1.674 ( 1.591 8.696 0.000) 8.840 1.703 ( -1.410 9.071 0.000) 9.180 1.760 ( -0.595 11.318 0.000) 11.334 1.833 ( 5.470 4.349 0.000) 6.989 1.920 ( 4.544 3.891 0.000) 5.982 1.990 ( -2.523 7.537 0.000) 7.948 2.118 ( -5.414 6.332 0.000) 8.331 2.333 ( 0.382 8.063 0.000) 8.072 2.366 ( -0.007 5.278 0.000) 5.278 2.822 ( 3.449 18.326 0.000) 18.648 2.864 ( 0.262 14.330 0.000) 14.333 3.192 ( 0.912 18.008 0.000) 18.031 3.243 ( -0.740 16.754 0.000) 16.770 3.492 ( 0.217 1.158 0.000) 1.178 3.508 ( -0.078 -0.402 0.000) 0.410 4.923 ( 3.595 1.209 0.000) 3.793 5.004 ( 0.766 -0.135 0.000) 0.778 5.216 ( -2.059 -0.809 0.000) 2.213 5.218 ( -3.210 -0.529 0.000) 3.253 5.687 ( -1.310 -6.826 0.000) 6.950 5.844 ( -8.237 0.654 0.000) 8.263 6.057 ( -2.384 0.818 0.000) 2.520 6.062 ( -1.546 -2.974 0.000) 3.352 6.270 ( 1.019 7.063 0.000) 7.136 6.340 ( -1.914 9.653 0.000) 9.841 6.523 ( 3.914 3.154 0.000) 5.026 6.599 ( 0.743 8.791 0.000) 8.823 7.069 ( 0.795 -3.924 0.000) 4.003 7.088 ( 0.415 0.403 0.000) 0.578 7.170 ( 0.447 9.634 0.000) 9.644 7.230 ( -1.805 13.305 0.000) 13.427 7.263 ( 0.047 4.811 0.000) 4.811 7.294 ( -0.781 0.977 0.000) 1.251 7.429 ( -2.108 -1.290 0.000) 2.471 7.447 ( -3.735 -2.212 0.000) 4.341 7.640 ( 1.338 14.181 0.000) 14.244 7.720 ( -2.341 12.537 0.000) 12.754 8.237 ( 9.151 -2.461 0.000) 9.476 8.321 ( 4.452 1.822 0.000) 4.811 8.432 ( -1.056 3.378 0.000) 3.539 8.464 ( -0.652 -5.007 0.000) 5.049 8.645 ( -0.032 -4.159 0.000) 4.159 8.664 ( -0.812 -3.131 0.000) 3.235 8.777 ( -1.464 -9.381 0.000) 9.494 8.855 ( -3.181 -4.667 0.000) 5.648 9.063 ( 0.694 -5.696 0.000) 5.739 9.096 ( -0.411 -0.915 0.000) 1.003 9.760 ( -0.146 0.868 0.000) 0.880 9.773 ( -0.578 -0.706 0.000) 0.912 9.784 ( -0.397 -2.707 0.000) 2.736 9.784 ( -0.399 -1.677 0.000) 1.724 ======================= Grid point 24 (16/84) ======================= q-point: (-0.50 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -2.102 7.029 0.000) 7.337 0.950 ( 2.102 7.029 0.000) 7.337 1.006 ( -2.162 4.004 0.000) 4.551 1.006 ( 2.162 4.004 0.000) 4.551 1.230 ( -1.598 1.617 0.000) 2.274 1.230 ( 1.598 1.617 0.000) 2.274 1.264 ( -0.050 4.694 0.000) 4.694 1.264 ( 0.050 4.694 0.000) 4.694 1.650 ( -1.811 6.129 0.000) 6.391 1.650 ( 1.811 6.129 0.000) 6.391 1.731 ( -2.176 11.144 0.000) 11.355 1.731 ( 2.176 11.144 0.000) 11.355 1.927 ( -4.253 4.897 0.000) 6.486 1.927 ( 4.253 4.897 0.000) 6.486 2.015 ( -5.398 5.761 0.000) 7.895 2.015 ( 5.398 5.761 0.000) 7.895 2.351 ( -1.229 7.537 0.000) 7.637 2.351 ( 1.229 7.537 0.000) 7.637 2.862 ( -0.790 14.067 0.000) 14.089 2.862 ( 0.790 14.067 0.000) 14.089 3.219 ( -1.749 17.513 0.000) 17.600 3.219 ( 1.749 17.513 0.000) 17.600 3.501 ( -0.599 1.205 0.000) 1.345 3.501 ( 0.599 1.205 0.000) 1.345 4.988 ( -2.678 -0.076 0.000) 2.680 4.988 ( 2.678 -0.076 0.000) 2.680 5.187 ( -0.330 0.778 0.000) 0.845 5.187 ( 0.330 0.778 0.000) 0.845 5.716 ( -4.495 -3.604 0.000) 5.762 5.716 ( 4.495 -3.604 0.000) 5.762 6.040 ( -0.368 -0.062 0.000) 0.373 6.040 ( 0.368 -0.062 0.000) 0.373 6.299 ( -2.049 9.247 0.000) 9.472 6.299 ( 2.049 9.247 0.000) 9.472 6.586 ( -2.251 5.456 0.000) 5.902 6.586 ( 2.251 5.456 0.000) 5.902 7.084 ( -0.709 -3.637 0.000) 3.706 7.084 ( 0.709 -3.637 0.000) 3.706 7.194 ( -1.877 13.668 0.000) 13.797 7.194 ( 1.877 13.668 0.000) 13.797 7.271 ( -1.028 2.190 0.000) 2.419 7.271 ( 1.028 2.190 0.000) 2.419 7.412 ( -0.350 -3.088 0.000) 3.108 7.412 ( 0.350 -3.088 0.000) 3.108 7.677 ( -2.232 15.310 0.000) 15.472 7.677 ( 2.232 15.310 0.000) 15.472 8.369 ( -5.237 0.163 0.000) 5.240 8.369 ( 5.237 0.163 0.000) 5.240 8.415 ( -4.618 -2.471 0.000) 5.238 8.415 ( 4.618 -2.471 0.000) 5.238 8.650 ( -0.571 -2.666 0.000) 2.726 8.650 ( 0.571 -2.666 0.000) 2.726 8.795 ( -2.748 -6.966 0.000) 7.489 8.795 ( 2.748 -6.966 0.000) 7.489 9.080 ( -1.011 -3.290 0.000) 3.442 9.080 ( 1.011 -3.290 0.000) 3.442 9.763 ( -0.425 0.452 0.000) 0.620 9.763 ( 0.425 0.452 0.000) 0.620 9.780 ( -0.022 -2.680 0.000) 2.680 9.780 ( 0.022 -2.680 0.000) 2.680 ======================= Grid point 28 (17/84) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 0.000 6.556 0.000) 6.556 1.081 ( 0.000 2.513 0.000) 2.513 1.105 ( 0.000 1.408 0.000) 1.408 1.207 ( 0.000 0.406 0.000) 0.406 1.279 ( 0.000 4.368 0.000) 4.368 1.355 ( 0.000 -0.556 0.000) 0.556 1.360 ( 0.000 8.663 0.000) 8.663 1.364 ( 0.000 3.260 0.000) 3.260 1.724 ( 0.000 1.695 0.000) 1.695 1.762 ( 0.000 0.875 0.000) 0.875 1.796 ( 0.000 9.187 0.000) 9.187 1.876 ( 0.000 8.476 0.000) 8.476 1.956 ( 0.000 8.320 0.000) 8.320 2.003 ( 0.000 5.705 0.000) 5.705 2.133 ( 0.000 -2.631 0.000) 2.631 2.184 ( 0.000 -6.399 0.000) 6.399 2.416 ( 0.000 6.743 0.000) 6.743 2.561 ( 0.000 9.375 0.000) 9.375 3.063 ( 0.000 -0.159 0.000) 0.159 3.112 ( 0.000 7.162 0.000) 7.162 3.523 ( 0.000 10.087 0.000) 10.087 3.562 ( 0.000 17.237 0.000) 17.237 3.597 ( 0.000 13.271 0.000) 13.271 3.608 ( 0.000 16.491 0.000) 16.491 4.918 ( 0.000 3.873 0.000) 3.873 4.993 ( 0.000 1.820 0.000) 1.820 5.194 ( 0.000 -2.945 0.000) 2.945 5.221 ( 0.000 -3.070 0.000) 3.070 5.688 ( 0.000 -7.051 0.000) 7.051 5.783 ( 0.000 -12.140 0.000) 12.140 6.094 ( 0.000 3.038 0.000) 3.038 6.107 ( 0.000 -3.406 0.000) 3.406 6.419 ( 0.000 6.875 0.000) 6.875 6.469 ( 0.000 4.468 0.000) 4.468 6.505 ( 0.000 0.485 0.000) 0.485 6.777 ( 0.000 9.422 0.000) 9.422 6.931 ( 0.000 -4.615 0.000) 4.615 6.994 ( 0.000 -4.557 0.000) 4.557 7.267 ( 0.000 -2.734 0.000) 2.734 7.295 ( 0.000 -2.103 0.000) 2.103 7.424 ( 0.000 10.533 0.000) 10.533 7.513 ( 0.000 6.073 0.000) 6.073 7.565 ( 0.000 0.993 0.000) 0.993 7.582 ( 0.000 -0.798 0.000) 0.798 7.902 ( 0.000 9.269 0.000) 9.269 7.918 ( 0.000 2.735 0.000) 2.735 7.971 ( 0.000 12.240 0.000) 12.240 8.282 ( 0.000 1.944 0.000) 1.944 8.378 ( 0.000 -1.755 0.000) 1.755 8.405 ( 0.000 -1.408 0.000) 1.408 8.473 ( 0.000 -8.464 0.000) 8.464 8.638 ( 0.000 -1.087 0.000) 1.087 8.737 ( 0.000 -10.225 0.000) 10.225 8.795 ( 0.000 -3.017 0.000) 3.017 8.949 ( 0.000 -4.545 0.000) 4.545 9.069 ( 0.000 -1.175 0.000) 1.175 9.748 ( 0.000 -0.037 0.000) 0.037 9.796 ( 0.000 2.584 0.000) 2.584 9.806 ( 0.000 2.056 0.000) 2.056 9.849 ( 0.000 3.956 0.000) 3.956 ======================= Grid point 29 (18/84) ======================= q-point: ( 0.17 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 0.903 6.059 0.000) 6.126 1.078 ( -0.197 3.240 0.000) 3.246 1.096 ( -0.890 1.588 0.000) 1.821 1.188 ( -1.915 1.427 0.000) 2.389 1.275 ( -0.264 4.354 0.000) 4.362 1.352 ( -1.131 5.343 0.000) 5.461 1.355 ( 0.084 0.651 0.000) 0.657 1.365 ( 0.385 5.808 0.000) 5.820 1.727 ( 0.103 1.725 0.000) 1.728 1.774 ( 1.411 1.836 0.000) 2.316 1.836 ( 3.545 7.312 0.000) 8.126 1.909 ( 3.468 7.896 0.000) 8.624 1.914 ( -3.677 6.210 0.000) 7.216 1.981 ( -1.874 3.848 0.000) 4.280 2.137 ( -0.208 0.044 0.000) 0.213 2.203 ( 1.380 -3.212 0.000) 3.496 2.420 ( 0.589 5.341 0.000) 5.373 2.531 ( -2.757 8.883 0.000) 9.301 3.049 ( -1.296 0.218 0.000) 1.314 3.096 ( -1.663 5.366 0.000) 5.618 3.530 ( 0.890 13.461 0.000) 13.490 3.581 ( 1.680 14.448 0.000) 14.545 3.604 ( 0.011 13.689 0.000) 13.689 3.609 ( 0.664 15.585 0.000) 15.599 4.929 ( 1.150 3.380 0.000) 3.571 5.002 ( 0.757 1.559 0.000) 1.733 5.197 ( 0.265 -2.240 0.000) 2.255 5.219 ( -0.325 -2.516 0.000) 2.537 5.600 ( -4.939 -6.605 0.000) 8.248 5.869 ( 5.146 -10.445 0.000) 11.644 6.021 ( -7.650 0.188 0.000) 7.653 6.090 ( -1.815 -0.767 0.000) 1.971 6.416 ( 0.239 7.724 0.000) 7.727 6.481 ( 1.157 4.540 0.000) 4.685 6.530 ( 2.436 1.557 0.000) 2.891 6.772 ( -0.697 7.964 0.000) 7.994 6.944 ( 1.289 -4.578 0.000) 4.756 6.984 ( -0.800 -4.725 0.000) 4.792 7.255 ( -1.226 -3.387 0.000) 3.602 7.279 ( -1.600 -1.492 0.000) 2.188 7.413 ( -1.463 5.557 0.000) 5.747 7.492 ( -2.735 3.933 0.000) 4.790 7.525 ( -2.937 4.991 0.000) 5.791 7.537 ( -3.320 2.666 0.000) 4.258 7.924 ( 1.818 8.831 0.000) 9.016 7.934 ( 1.650 12.507 0.000) 12.616 8.040 ( 6.173 0.961 0.000) 6.248 8.300 ( 1.868 1.549 0.000) 2.427 8.380 ( 0.075 -2.203 0.000) 2.204 8.441 ( 3.408 -1.085 0.000) 3.577 8.493 ( 2.140 -7.651 0.000) 7.944 8.614 ( -1.749 -3.225 0.000) 3.669 8.727 ( -6.322 -2.659 0.000) 6.859 8.770 ( 2.356 -6.610 0.000) 7.017 8.937 ( -0.980 -5.109 0.000) 5.202 9.079 ( 0.339 -1.957 0.000) 1.986 9.754 ( 0.535 0.445 0.000) 0.696 9.796 ( -0.087 2.663 0.000) 2.665 9.802 ( -0.304 2.180 0.000) 2.201 9.837 ( -1.154 3.880 0.000) 4.048 ======================= Grid point 30 (19/84) ======================= q-point: ( 0.33 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 1.731 4.777 0.000) 5.081 1.073 ( -1.610 2.134 0.000) 2.674 1.080 ( 0.607 4.172 0.000) 4.216 1.145 ( -2.460 2.899 0.000) 3.802 1.274 ( 0.286 3.937 0.000) 3.948 1.321 ( -1.994 4.618 0.000) 5.030 1.362 ( 0.700 3.427 0.000) 3.498 1.375 ( 0.492 5.556 0.000) 5.578 1.726 ( 0.032 1.664 0.000) 1.664 1.791 ( -1.553 1.403 0.000) 2.093 1.846 ( -0.165 3.809 0.000) 3.812 1.928 ( -2.300 3.989 0.000) 4.604 1.930 ( 5.040 6.709 0.000) 8.392 2.013 ( 5.905 4.921 0.000) 7.686 2.107 ( -3.145 3.842 0.000) 4.965 2.205 ( -1.922 1.701 0.000) 2.566 2.441 ( 1.474 3.248 0.000) 3.567 2.482 ( -1.863 6.516 0.000) 6.777 3.024 ( -1.043 0.705 0.000) 1.259 3.057 ( -2.319 2.336 0.000) 3.292 3.553 ( 1.458 16.053 0.000) 16.119 3.596 ( -0.725 15.378 0.000) 15.395 3.613 ( 1.472 12.402 0.000) 12.489 3.627 ( 0.765 13.087 0.000) 13.109 4.959 ( 1.979 2.074 0.000) 2.867 5.012 ( -0.029 0.747 0.000) 0.748 5.202 ( 0.131 -0.781 0.000) 0.792 5.209 ( -0.577 -0.801 0.000) 0.987 5.560 ( 1.097 -4.330 0.000) 4.466 5.833 ( -11.325 -0.566 0.000) 11.339 5.946 ( 3.251 -7.166 0.000) 7.870 6.048 ( -2.524 -1.038 0.000) 2.729 6.437 ( 1.879 8.187 0.000) 8.400 6.496 ( -0.064 5.490 0.000) 5.491 6.593 ( 4.248 3.087 0.000) 5.251 6.743 ( -2.567 5.289 0.000) 5.879 6.972 ( 1.432 -4.197 0.000) 4.435 6.977 ( 0.265 -4.958 0.000) 4.965 7.229 ( -1.241 -4.673 0.000) 4.835 7.244 ( -1.814 -1.923 0.000) 2.644 7.371 ( -2.261 -1.202 0.000) 2.561 7.413 ( -4.463 0.391 0.000) 4.480 7.491 ( -0.727 10.732 0.000) 10.757 7.500 ( -1.086 8.053 0.000) 8.126 7.954 ( 1.253 9.132 0.000) 9.217 7.962 ( 1.032 13.386 0.000) 13.426 8.174 ( 7.862 -2.887 0.000) 8.375 8.345 ( 2.802 0.419 0.000) 2.833 8.371 ( -1.360 -3.170 0.000) 3.449 8.483 ( -0.754 -0.380 0.000) 0.844 8.567 ( 5.267 -3.052 0.000) 6.087 8.588 ( -1.002 -4.025 0.000) 4.147 8.606 ( -4.357 -5.315 0.000) 6.872 8.777 ( -2.518 -3.042 0.000) 3.949 8.943 ( 2.311 -5.953 0.000) 6.386 9.064 ( -2.114 -3.071 0.000) 3.728 9.763 ( 0.421 1.499 0.000) 1.557 9.790 ( -0.648 2.581 0.000) 2.662 9.799 ( 0.068 2.561 0.000) 2.562 9.814 ( -0.996 3.746 0.000) 3.876 ======================= Grid point 31 (20/84) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -2.081 3.245 0.000) 3.855 1.038 ( 2.081 3.245 0.000) 3.855 1.103 ( -1.831 3.937 0.000) 4.342 1.103 ( 1.831 3.937 0.000) 4.342 1.288 ( -1.312 4.043 0.000) 4.250 1.288 ( 1.312 4.043 0.000) 4.250 1.376 ( -0.520 5.166 0.000) 5.193 1.376 ( 0.520 5.166 0.000) 5.193 1.742 ( -2.001 1.600 0.000) 2.562 1.742 ( 2.001 1.600 0.000) 2.562 1.881 ( -2.557 2.821 0.000) 3.807 1.881 ( 2.557 2.821 0.000) 3.807 2.027 ( -5.045 5.853 0.000) 7.727 2.027 ( 5.045 5.853 0.000) 7.727 2.129 ( -5.752 4.564 0.000) 7.343 2.129 ( 5.752 4.564 0.000) 7.343 2.463 ( -0.753 3.757 0.000) 3.832 2.463 ( 0.753 3.757 0.000) 3.832 3.023 ( -1.002 0.887 0.000) 1.338 3.023 ( 1.002 0.887 0.000) 1.338 3.578 ( -1.146 16.040 0.000) 16.081 3.578 ( 1.146 16.040 0.000) 16.081 3.631 ( -0.385 12.278 0.000) 12.284 3.631 ( 0.385 12.278 0.000) 12.284 4.995 ( -1.655 0.721 0.000) 1.805 4.995 ( 1.655 0.721 0.000) 1.805 5.203 ( -0.077 0.128 0.000) 0.149 5.203 ( 0.077 0.128 0.000) 0.149 5.645 ( -7.869 -2.019 0.000) 8.124 5.645 ( 7.869 -2.019 0.000) 8.124 5.999 ( -2.665 -3.381 0.000) 4.305 5.999 ( 2.665 -3.381 0.000) 4.305 6.476 ( -1.902 7.474 0.000) 7.712 6.476 ( 1.902 7.474 0.000) 7.712 6.677 ( -4.355 3.566 0.000) 5.628 6.677 ( 4.355 3.566 0.000) 5.628 6.985 ( -0.118 -4.322 0.000) 4.324 6.985 ( 0.118 -4.322 0.000) 4.324 7.221 ( -0.485 -4.209 0.000) 4.237 7.221 ( 0.485 -4.209 0.000) 4.237 7.357 ( -1.116 -0.827 0.000) 1.389 7.357 ( 1.116 -0.827 0.000) 1.389 7.488 ( -0.220 10.170 0.000) 10.172 7.488 ( 0.220 10.170 0.000) 10.172 7.969 ( -0.292 10.751 0.000) 10.755 7.969 ( 0.292 10.751 0.000) 10.755 8.311 ( -5.744 -3.284 0.000) 6.616 8.311 ( 5.744 -3.284 0.000) 6.616 8.408 ( -4.468 0.493 0.000) 4.496 8.408 ( 4.468 0.493 0.000) 4.496 8.574 ( -0.459 -4.338 0.000) 4.362 8.574 ( 0.459 -4.338 0.000) 4.362 8.690 ( -6.117 -3.378 0.000) 6.988 8.690 ( 6.117 -3.378 0.000) 6.988 9.006 ( -3.725 -4.406 0.000) 5.770 9.006 ( 3.725 -4.406 0.000) 5.770 9.774 ( -0.803 2.275 0.000) 2.412 9.774 ( 0.803 2.275 0.000) 2.412 9.803 ( -0.320 3.225 0.000) 3.240 9.803 ( 0.320 3.225 0.000) 3.240 ======================= Grid point 35 (21/84) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 0.000 5.475 0.000) 5.475 1.140 ( 0.000 2.038 0.000) 2.038 1.151 ( 0.000 3.900 0.000) 3.900 1.217 ( 0.000 0.359 0.000) 0.359 1.362 ( 0.000 4.032 0.000) 4.032 1.375 ( 0.000 2.606 0.000) 2.606 1.447 ( 0.000 4.709 0.000) 4.709 1.488 ( 0.000 4.119 0.000) 4.119 1.700 ( 0.000 -3.780 0.000) 3.780 1.742 ( 0.000 -2.581 0.000) 2.581 1.929 ( 0.000 -8.439 0.000) 8.439 1.951 ( 0.000 0.147 0.000) 0.147 2.028 ( 0.000 -2.791 0.000) 2.791 2.056 ( 0.000 1.958 0.000) 1.958 2.086 ( 0.000 2.393 0.000) 2.393 2.087 ( 0.000 4.404 0.000) 4.404 2.584 ( 0.000 8.249 0.000) 8.249 2.725 ( 0.000 6.613 0.000) 6.613 2.975 ( 0.000 -5.749 0.000) 5.749 3.071 ( 0.000 -5.922 0.000) 5.922 3.835 ( 0.000 14.682 0.000) 14.682 3.871 ( 0.000 12.142 0.000) 12.142 3.897 ( 0.000 12.879 0.000) 12.879 3.907 ( 0.000 11.844 0.000) 11.844 4.998 ( 0.000 3.651 0.000) 3.651 5.038 ( 0.000 2.266 0.000) 2.266 5.143 ( 0.000 -2.078 0.000) 2.078 5.168 ( 0.000 -2.255 0.000) 2.255 5.559 ( 0.000 -5.056 0.000) 5.056 5.575 ( 0.000 -7.447 0.000) 7.447 6.068 ( 0.000 -0.437 0.000) 0.437 6.127 ( 0.000 0.188 0.000) 0.188 6.492 ( 0.000 -1.092 0.000) 1.092 6.526 ( 0.000 0.932 0.000) 0.932 6.569 ( 0.000 7.737 0.000) 7.737 6.879 ( 0.000 -0.278 0.000) 0.278 6.910 ( 0.000 3.135 0.000) 3.135 6.960 ( 0.000 0.980 0.000) 0.980 7.158 ( 0.000 -7.237 0.000) 7.237 7.214 ( 0.000 -5.053 0.000) 5.053 7.572 ( 0.000 4.188 0.000) 4.188 7.582 ( 0.000 1.634 0.000) 1.634 7.583 ( 0.000 1.084 0.000) 1.084 7.587 ( 0.000 0.820 0.000) 0.820 7.997 ( 0.000 5.004 0.000) 5.004 8.083 ( 0.000 7.258 0.000) 7.258 8.164 ( 0.000 6.054 0.000) 6.054 8.303 ( 0.000 0.199 0.000) 0.199 8.314 ( 0.000 -6.193 0.000) 6.193 8.360 ( 0.000 -0.360 0.000) 0.360 8.363 ( 0.000 -1.777 0.000) 1.777 8.525 ( 0.000 -9.798 0.000) 9.798 8.645 ( 0.000 1.631 0.000) 1.631 8.771 ( 0.000 0.228 0.000) 0.228 8.855 ( 0.000 -4.559 0.000) 4.559 9.006 ( 0.000 -4.612 0.000) 4.612 9.781 ( 0.000 2.859 0.000) 2.859 9.860 ( 0.000 2.447 0.000) 2.447 9.869 ( 0.000 4.021 0.000) 4.021 9.934 ( 0.000 3.570 0.000) 3.570 ======================= Grid point 36 (22/84) ======================= q-point: ( 0.17 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 0.013 5.156 0.000) 5.156 1.134 ( -0.603 2.110 0.000) 2.194 1.153 ( 0.188 3.542 0.000) 3.547 1.207 ( -0.993 0.557 0.000) 1.139 1.363 ( 0.222 4.775 0.000) 4.781 1.390 ( 1.570 2.731 0.000) 3.150 1.442 ( -0.552 4.877 0.000) 4.908 1.479 ( -0.718 3.869 0.000) 3.935 1.694 ( -0.632 -4.481 0.000) 4.525 1.748 ( 0.441 -3.268 0.000) 3.297 1.921 ( -0.952 -8.464 0.000) 8.518 1.922 ( -3.562 -4.161 0.000) 5.477 2.017 ( 1.651 6.598 0.000) 6.802 2.052 ( 1.169 4.532 0.000) 4.681 2.126 ( 2.793 0.737 0.000) 2.888 2.149 ( 4.127 -0.275 0.000) 4.136 2.568 ( -1.483 7.905 0.000) 8.043 2.691 ( -3.489 6.599 0.000) 7.465 2.972 ( -0.348 -5.482 0.000) 5.493 3.049 ( -2.254 -5.748 0.000) 6.174 3.843 ( 0.806 14.046 0.000) 14.069 3.879 ( 0.826 12.207 0.000) 12.235 3.884 ( -0.747 12.311 0.000) 12.334 3.919 ( 0.541 12.231 0.000) 12.243 4.999 ( 0.141 3.258 0.000) 3.261 5.036 ( -0.264 1.536 0.000) 1.558 5.155 ( 1.117 -1.927 0.000) 2.228 5.167 ( 0.021 -2.569 0.000) 2.569 5.508 ( -1.088 -2.109 0.000) 2.373 5.676 ( 6.449 -7.660 0.000) 10.013 6.014 ( -6.269 0.204 0.000) 6.272 6.090 ( -3.178 -0.241 0.000) 3.187 6.525 ( 2.758 -0.801 0.000) 2.872 6.543 ( 2.362 0.801 0.000) 2.494 6.575 ( 0.713 7.688 0.000) 7.721 6.881 ( -1.431 0.774 0.000) 1.627 6.893 ( -0.115 1.364 0.000) 1.369 6.945 ( -1.331 0.760 0.000) 1.533 7.141 ( -1.715 -6.996 0.000) 7.203 7.199 ( -1.698 -5.326 0.000) 5.590 7.485 ( -4.968 3.637 0.000) 6.157 7.529 ( -4.602 1.473 0.000) 4.832 7.589 ( -0.049 0.932 0.000) 0.933 7.634 ( 1.544 2.991 0.000) 3.366 8.044 ( 4.623 3.214 0.000) 5.630 8.093 ( 0.802 7.025 0.000) 7.071 8.163 ( -0.069 6.386 0.000) 6.387 8.314 ( 1.189 0.071 0.000) 1.191 8.349 ( 3.237 -5.449 0.000) 6.338 8.357 ( -0.289 -0.454 0.000) 0.538 8.397 ( 3.475 -2.290 0.000) 4.162 8.508 ( -1.030 -7.158 0.000) 7.231 8.688 ( 3.477 -0.960 0.000) 3.607 8.718 ( -5.012 1.117 0.000) 5.135 8.837 ( -1.746 -4.558 0.000) 4.881 8.999 ( -1.035 -5.444 0.000) 5.541 9.796 ( 1.415 3.097 0.000) 3.405 9.860 ( 0.099 2.746 0.000) 2.748 9.870 ( 0.084 4.070 0.000) 4.071 9.923 ( -1.059 3.735 0.000) 3.882 ======================= Grid point 37 (23/84) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 0.341 4.341 0.000) 4.355 1.120 ( -0.789 2.473 0.000) 2.596 1.156 ( 0.156 2.762 0.000) 2.767 1.183 ( -1.355 1.164 0.000) 1.786 1.373 ( 0.950 6.067 0.000) 6.141 1.425 ( -1.282 5.665 0.000) 5.809 1.427 ( 2.010 2.772 0.000) 3.424 1.467 ( -0.523 3.051 0.000) 3.095 1.683 ( -0.196 -5.137 0.000) 5.141 1.741 ( -1.653 -4.766 0.000) 5.045 1.865 ( -1.450 -2.704 0.000) 3.068 1.896 ( -1.571 -6.129 0.000) 6.327 2.074 ( 3.694 6.133 0.000) 7.159 2.105 ( 3.821 3.287 0.000) 5.041 2.166 ( 1.227 1.933 0.000) 2.290 2.208 ( 1.630 -0.500 0.000) 1.705 2.541 ( -0.925 6.628 0.000) 6.693 2.611 ( -4.419 6.210 0.000) 7.622 2.963 ( -0.484 -4.992 0.000) 5.016 2.999 ( -2.656 -5.325 0.000) 5.950 3.861 ( 0.914 13.038 0.000) 13.070 3.875 ( -0.235 12.201 0.000) 12.204 3.897 ( 0.917 12.143 0.000) 12.177 3.922 ( -0.201 12.110 0.000) 12.112 5.006 ( 0.577 2.458 0.000) 2.524 5.028 ( -0.516 0.871 0.000) 1.013 5.171 ( 0.335 -2.848 0.000) 2.868 5.174 ( 0.650 -2.002 0.000) 2.105 5.535 ( 4.070 1.726 0.000) 4.421 5.800 ( 6.659 -6.377 0.000) 9.220 5.847 ( -10.637 2.015 0.000) 10.826 6.018 ( -4.578 -1.810 0.000) 4.922 6.566 ( 1.970 1.446 0.000) 2.444 6.591 ( 0.783 6.505 0.000) 6.552 6.624 ( 5.396 -0.218 0.000) 5.401 6.817 ( -4.398 1.611 0.000) 4.684 6.915 ( 1.383 -0.980 0.000) 1.695 6.924 ( -0.553 0.017 0.000) 0.554 7.105 ( -1.612 -6.506 0.000) 6.703 7.154 ( -2.914 -5.725 0.000) 6.424 7.408 ( -2.913 4.382 0.000) 5.262 7.439 ( -4.342 2.067 0.000) 4.809 7.595 ( 0.868 1.257 0.000) 1.527 7.640 ( -0.664 3.111 0.000) 3.181 8.105 ( 0.445 6.126 0.000) 6.142 8.115 ( 0.947 1.978 0.000) 2.193 8.196 ( 5.108 5.476 0.000) 7.488 8.341 ( -1.418 0.044 0.000) 1.419 8.347 ( 2.479 0.014 0.000) 2.479 8.414 ( 2.870 -4.224 0.000) 5.107 8.475 ( 3.601 -3.895 0.000) 5.304 8.496 ( -0.397 -4.938 0.000) 4.954 8.617 ( -4.204 2.760 0.000) 5.029 8.722 ( -1.716 -2.170 0.000) 2.766 8.823 ( 1.933 -5.399 0.000) 5.735 8.961 ( -3.088 -6.530 0.000) 7.223 9.826 ( 1.604 3.770 0.000) 4.097 9.866 ( 0.523 3.263 0.000) 3.304 9.868 ( -0.435 4.245 0.000) 4.268 9.899 ( -1.269 3.903 0.000) 4.104 ======================= Grid point 38 (24/84) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -0.689 3.311 0.000) 3.382 1.106 ( 0.689 3.311 0.000) 3.382 1.163 ( -0.714 1.932 0.000) 2.060 1.163 ( 0.714 1.932 0.000) 2.060 1.398 ( -1.552 6.478 0.000) 6.661 1.398 ( 1.552 6.478 0.000) 6.661 1.455 ( -0.978 2.535 0.000) 2.717 1.455 ( 0.978 2.535 0.000) 2.717 1.699 ( -1.973 -4.895 0.000) 5.277 1.699 ( 1.973 -4.895 0.000) 5.277 1.868 ( -1.227 -3.890 0.000) 4.079 1.868 ( 1.227 -3.890 0.000) 4.079 2.133 ( -1.915 3.555 0.000) 4.038 2.133 ( 1.915 3.555 0.000) 4.038 2.197 ( -2.430 2.035 0.000) 3.170 2.197 ( 2.430 2.035 0.000) 3.170 2.549 ( -1.923 5.550 0.000) 5.873 2.549 ( 1.923 5.550 0.000) 5.873 2.964 ( -0.896 -4.917 0.000) 4.998 2.964 ( 0.896 -4.917 0.000) 4.998 3.872 ( -0.256 12.466 0.000) 12.469 3.872 ( 0.256 12.466 0.000) 12.469 3.912 ( -0.750 12.007 0.000) 12.031 3.912 ( 0.750 12.007 0.000) 12.031 5.018 ( -0.642 1.471 0.000) 1.605 5.018 ( 0.642 1.471 0.000) 1.605 5.177 ( -0.228 -2.506 0.000) 2.516 5.177 ( 0.228 -2.506 0.000) 2.516 5.657 ( -8.851 2.994 0.000) 9.344 5.657 ( 8.851 2.994 0.000) 9.344 5.919 ( -5.967 -4.051 0.000) 7.212 5.919 ( 5.967 -4.051 0.000) 7.212 6.594 ( -0.726 3.820 0.000) 3.888 6.594 ( 0.726 3.820 0.000) 3.888 6.726 ( -5.286 0.703 0.000) 5.333 6.726 ( 5.286 0.703 0.000) 5.333 6.925 ( -0.281 -1.074 0.000) 1.111 6.925 ( 0.281 -1.074 0.000) 1.111 7.105 ( -1.769 -5.927 0.000) 6.185 7.105 ( 1.769 -5.927 0.000) 6.185 7.387 ( -0.858 3.479 0.000) 3.583 7.387 ( 0.858 3.479 0.000) 3.583 7.618 ( -1.427 2.217 0.000) 2.636 7.618 ( 1.427 2.217 0.000) 2.636 8.112 ( -0.423 4.602 0.000) 4.621 8.112 ( 0.423 4.602 0.000) 4.621 8.295 ( -3.998 1.378 0.000) 4.228 8.295 ( 3.998 1.378 0.000) 4.228 8.410 ( -3.775 -0.441 0.000) 3.800 8.410 ( 3.775 -0.441 0.000) 3.800 8.487 ( -0.425 -3.960 0.000) 3.983 8.487 ( 0.425 -3.960 0.000) 3.983 8.644 ( -5.063 -0.859 0.000) 5.136 8.644 ( 5.063 -0.859 0.000) 5.136 8.890 ( -4.181 -6.517 0.000) 7.743 8.890 ( 4.181 -6.517 0.000) 7.743 9.852 ( -1.188 4.371 0.000) 4.529 9.852 ( 1.188 4.371 0.000) 4.529 9.880 ( -0.897 3.611 0.000) 3.721 9.880 ( 0.897 3.611 0.000) 3.721 ======================= Grid point 42 (25/84) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 0.000 2.854 0.000) 2.854 1.185 ( 0.000 2.042 0.000) 2.042 1.206 ( 0.000 0.759 0.000) 0.759 1.214 ( 0.000 -0.727 0.000) 0.727 1.454 ( 0.000 4.901 0.000) 4.901 1.473 ( 0.000 6.228 0.000) 6.228 1.550 ( 0.000 4.226 0.000) 4.226 1.553 ( 0.000 2.446 0.000) 2.446 1.598 ( 0.000 -4.501 0.000) 4.501 1.684 ( 0.000 -1.302 0.000) 1.302 1.700 ( 0.000 -11.025 0.000) 11.025 1.779 ( 0.000 -8.945 0.000) 8.945 2.101 ( 0.000 1.252 0.000) 1.252 2.110 ( 0.000 3.554 0.000) 3.554 2.111 ( 0.000 0.253 0.000) 0.253 2.140 ( 0.000 0.664 0.000) 0.664 2.738 ( 0.000 6.555 0.000) 6.555 2.843 ( 0.000 5.069 0.000) 5.069 2.859 ( 0.000 -5.472 0.000) 5.472 2.949 ( 0.000 -5.481 0.000) 5.481 4.045 ( 0.000 5.124 0.000) 5.124 4.048 ( 0.000 4.564 0.000) 4.564 4.080 ( 0.000 4.446 0.000) 4.446 4.081 ( 0.000 4.482 0.000) 4.482 5.062 ( 0.000 2.498 0.000) 2.498 5.081 ( 0.000 1.905 0.000) 1.905 5.105 ( 0.000 -1.767 0.000) 1.767 5.122 ( 0.000 -2.131 0.000) 2.131 5.482 ( 0.000 -1.782 0.000) 1.782 5.487 ( 0.000 -1.944 0.000) 1.944 6.080 ( 0.000 1.340 0.000) 1.340 6.111 ( 0.000 -1.396 0.000) 1.396 6.486 ( 0.000 0.760 0.000) 0.760 6.515 ( 0.000 -1.512 0.000) 1.512 6.738 ( 0.000 8.477 0.000) 8.477 6.893 ( 0.000 -5.080 0.000) 5.080 6.915 ( 0.000 3.414 0.000) 3.414 7.009 ( 0.000 -6.008 0.000) 6.008 7.014 ( 0.000 3.835 0.000) 3.835 7.107 ( 0.000 -5.018 0.000) 5.018 7.600 ( 0.000 0.311 0.000) 0.311 7.600 ( 0.000 0.307 0.000) 0.307 7.606 ( 0.000 0.985 0.000) 0.985 7.615 ( 0.000 0.422 0.000) 0.422 8.119 ( 0.000 6.370 0.000) 6.370 8.181 ( 0.000 2.418 0.000) 2.418 8.217 ( 0.000 -1.355 0.000) 1.355 8.223 ( 0.000 -2.637 0.000) 2.637 8.307 ( 0.000 0.579 0.000) 0.579 8.351 ( 0.000 0.484 0.000) 0.484 8.356 ( 0.000 -5.514 0.000) 5.514 8.360 ( 0.000 -0.057 0.000) 0.057 8.694 ( 0.000 2.938 0.000) 2.938 8.766 ( 0.000 -3.959 0.000) 3.959 8.804 ( 0.000 3.177 0.000) 3.177 8.897 ( 0.000 -5.406 0.000) 5.406 9.846 ( 0.000 2.932 0.000) 2.932 9.884 ( 0.000 -0.388 0.000) 0.388 9.945 ( 0.000 2.948 0.000) 2.948 9.975 ( 0.000 0.246 0.000) 0.246 ======================= Grid point 43 (26/84) ======================= q-point: ( 0.17 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -0.439 2.724 0.000) 2.759 1.179 ( -0.541 2.001 0.000) 2.073 1.200 ( -0.567 0.647 0.000) 0.860 1.207 ( -0.693 -0.643 0.000) 0.945 1.453 ( 0.359 3.979 0.000) 3.996 1.495 ( 1.675 5.762 0.000) 6.001 1.543 ( -0.944 2.644 0.000) 2.807 1.548 ( -0.182 4.171 0.000) 4.175 1.583 ( -1.137 -3.665 0.000) 3.837 1.677 ( -0.871 -1.719 0.000) 1.927 1.714 ( 1.045 -10.176 0.000) 10.229 1.767 ( -1.141 -8.235 0.000) 8.314 2.113 ( 1.486 1.687 0.000) 2.248 2.128 ( 1.755 3.465 0.000) 3.885 2.134 ( 2.109 -0.325 0.000) 2.134 2.160 ( 1.980 0.070 0.000) 1.982 2.724 ( -1.342 6.974 0.000) 7.102 2.813 ( -3.007 5.495 0.000) 6.264 2.855 ( -0.452 -5.819 0.000) 5.837 2.927 ( -2.202 -5.683 0.000) 6.095 4.046 ( 0.326 5.244 0.000) 5.254 4.056 ( 0.678 4.319 0.000) 4.371 4.071 ( -0.418 5.241 0.000) 5.258 4.088 ( 0.239 3.764 0.000) 3.771 5.061 ( -0.041 2.773 0.000) 2.773 5.067 ( -1.103 1.687 0.000) 2.015 5.112 ( -0.761 -2.619 0.000) 2.727 5.113 ( 0.685 -2.248 0.000) 2.350 5.505 ( 3.516 1.456 0.000) 3.806 5.559 ( 5.937 -3.868 0.000) 7.086 6.036 ( -4.852 1.649 0.000) 5.124 6.071 ( -3.993 -1.478 0.000) 4.258 6.514 ( 2.822 0.353 0.000) 2.844 6.536 ( 2.223 -1.263 0.000) 2.557 6.734 ( -0.641 7.537 0.000) 7.564 6.865 ( -2.562 -3.902 0.000) 4.668 6.922 ( 0.375 2.504 0.000) 2.532 6.995 ( -1.771 3.684 0.000) 4.088 7.003 ( -0.577 -5.406 0.000) 5.437 7.087 ( -1.996 -5.106 0.000) 5.483 7.558 ( -3.609 1.323 0.000) 3.844 7.568 ( -2.447 4.001 0.000) 4.690 7.584 ( -1.392 -1.039 0.000) 1.737 7.636 ( 0.477 -2.198 0.000) 2.250 8.144 ( 2.438 5.818 0.000) 6.308 8.201 ( 1.605 3.495 0.000) 3.846 8.228 ( 1.173 -0.492 0.000) 1.272 8.262 ( 3.434 -3.052 0.000) 4.594 8.317 ( 1.104 0.476 0.000) 1.202 8.361 ( 0.351 0.408 0.000) 0.538 8.365 ( 0.991 -5.321 0.000) 5.413 8.369 ( 1.821 -0.505 0.000) 1.890 8.700 ( 0.482 1.714 0.000) 1.781 8.753 ( -1.268 -3.412 0.000) 3.640 8.768 ( -3.586 3.825 0.000) 5.243 8.874 ( -2.400 -6.110 0.000) 6.565 9.861 ( 1.447 2.723 0.000) 3.084 9.892 ( 0.806 -0.004 0.000) 0.806 9.945 ( -0.058 2.750 0.000) 2.751 9.970 ( -0.591 0.536 0.000) 0.798 ======================= Grid point 44 (27/84) ======================= q-point: ( 0.33 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -0.437 1.960 0.000) 2.008 1.169 ( -0.392 2.392 0.000) 2.424 1.189 ( -0.495 0.414 0.000) 0.646 1.193 ( -0.713 -0.324 0.000) 0.783 1.470 ( 1.314 2.746 0.000) 3.044 1.521 ( -1.303 2.767 0.000) 3.058 1.524 ( 1.281 3.837 0.000) 4.046 1.545 ( -0.117 4.221 0.000) 4.223 1.573 ( 0.318 -0.927 0.000) 0.980 1.647 ( -2.383 -2.073 0.000) 3.159 1.729 ( 0.530 -9.037 0.000) 9.053 1.746 ( -0.908 -7.530 0.000) 7.584 2.153 ( 2.408 1.670 0.000) 2.931 2.166 ( 1.979 2.833 0.000) 3.455 2.178 ( 2.354 -0.622 0.000) 2.435 2.199 ( 1.731 -0.633 0.000) 1.843 2.697 ( -1.263 7.741 0.000) 7.844 2.745 ( -3.783 6.624 0.000) 7.628 2.845 ( -0.542 -6.423 0.000) 6.445 2.879 ( -2.588 -6.187 0.000) 6.706 4.056 ( 0.563 5.296 0.000) 5.326 4.066 ( -0.134 5.570 0.000) 5.571 4.069 ( 0.685 4.041 0.000) 4.099 4.088 ( -0.203 3.580 0.000) 3.586 5.054 ( -0.168 1.790 0.000) 1.798 5.061 ( -0.052 2.871 0.000) 2.872 5.105 ( 0.170 -3.079 0.000) 3.084 5.122 ( 0.075 -2.886 0.000) 2.887 5.601 ( 6.538 4.012 0.000) 7.671 5.689 ( 7.647 -4.558 0.000) 8.903 5.906 ( -8.476 3.365 0.000) 9.119 5.972 ( -6.526 -2.747 0.000) 7.080 6.578 ( 3.740 0.505 0.000) 3.774 6.601 ( 4.770 -1.515 0.000) 5.005 6.707 ( -2.306 4.967 0.000) 5.476 6.799 ( -4.585 -3.324 0.000) 5.664 6.930 ( 0.544 2.107 0.000) 2.177 6.961 ( -1.573 3.055 0.000) 3.436 6.992 ( -0.315 -4.033 0.000) 4.045 7.042 ( -2.561 -4.746 0.000) 5.393 7.497 ( -2.198 3.504 0.000) 4.136 7.521 ( -2.437 5.850 0.000) 6.338 7.570 ( 0.261 -3.023 0.000) 3.034 7.626 ( -1.453 -3.687 0.000) 3.963 8.191 ( 1.965 5.076 0.000) 5.443 8.220 ( 0.265 5.009 0.000) 5.016 8.263 ( 2.536 -0.063 0.000) 2.537 8.312 ( 1.059 -3.818 0.000) 3.962 8.350 ( 2.567 0.486 0.000) 2.613 8.378 ( 1.721 1.248 0.000) 2.126 8.393 ( 1.778 -4.215 0.000) 4.575 8.415 ( 2.282 -2.158 0.000) 3.141 8.692 ( -3.745 4.732 0.000) 6.035 8.698 ( -1.453 0.122 0.000) 1.458 8.732 ( -0.029 -3.134 0.000) 3.134 8.815 ( -3.566 -6.969 0.000) 7.828 9.894 ( 1.851 2.347 0.000) 2.989 9.911 ( 1.181 0.766 0.000) 1.407 9.940 ( -0.482 2.353 0.000) 2.402 9.954 ( -1.024 1.093 0.000) 1.498 ======================= Grid point 45 (28/84) ======================= q-point: (-0.50 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -0.038 2.063 0.000) 2.063 1.165 ( 0.038 2.063 0.000) 2.063 1.185 ( -0.126 0.122 0.000) 0.175 1.185 ( 0.126 0.122 0.000) 0.175 1.496 ( -1.402 2.463 0.000) 2.834 1.496 ( 1.402 2.463 0.000) 2.834 1.541 ( -0.463 4.039 0.000) 4.065 1.541 ( 0.463 4.039 0.000) 4.065 1.598 ( -2.324 -1.167 0.000) 2.601 1.598 ( 2.324 -1.167 0.000) 2.601 1.735 ( -0.285 -8.075 0.000) 8.080 1.735 ( 0.285 -8.075 0.000) 8.080 2.184 ( -0.425 1.765 0.000) 1.815 2.184 ( 0.425 1.765 0.000) 1.815 2.210 ( -0.731 -0.592 0.000) 0.941 2.210 ( 0.731 -0.592 0.000) 0.941 2.693 ( -1.301 7.749 0.000) 7.857 2.693 ( 1.301 7.749 0.000) 7.857 2.845 ( -0.837 -6.593 0.000) 6.646 2.845 ( 0.837 -6.593 0.000) 6.646 4.063 ( -0.226 5.403 0.000) 5.408 4.063 ( 0.226 5.403 0.000) 5.408 4.081 ( -0.541 3.821 0.000) 3.859 4.081 ( 0.541 3.821 0.000) 3.859 5.057 ( -0.324 2.381 0.000) 2.403 5.057 ( 0.324 2.381 0.000) 2.403 5.115 ( -0.649 -3.121 0.000) 3.188 5.115 ( 0.649 -3.121 0.000) 3.188 5.743 ( -8.513 4.672 0.000) 9.711 5.743 ( 8.513 4.672 0.000) 9.711 5.835 ( -7.836 -4.163 0.000) 8.873 5.835 ( 7.836 -4.163 0.000) 8.873 6.649 ( -3.701 2.255 0.000) 4.334 6.649 ( 3.701 2.255 0.000) 4.334 6.701 ( -5.595 -2.514 0.000) 6.134 6.701 ( 5.595 -2.514 0.000) 6.134 6.941 ( -0.685 2.127 0.000) 2.234 6.941 ( 0.685 2.127 0.000) 2.234 7.002 ( -1.462 -3.858 0.000) 4.126 7.002 ( 1.462 -3.858 0.000) 4.126 7.486 ( -0.934 5.573 0.000) 5.651 7.486 ( 0.934 5.573 0.000) 5.651 7.592 ( -1.827 -3.976 0.000) 4.376 7.592 ( 1.827 -3.976 0.000) 4.376 8.214 ( -0.765 5.337 0.000) 5.391 8.214 ( 0.765 5.337 0.000) 5.391 8.304 ( -1.493 -2.131 0.000) 2.602 8.304 ( 1.493 -2.131 0.000) 2.602 8.396 ( -0.932 0.025 0.000) 0.932 8.396 ( 0.932 0.025 0.000) 0.932 8.422 ( -1.341 -2.105 0.000) 2.496 8.422 ( 1.341 -2.105 0.000) 2.496 8.663 ( -1.023 2.805 0.000) 2.985 8.663 ( 1.023 2.805 0.000) 2.985 8.757 ( -2.402 -5.914 0.000) 6.383 8.757 ( 2.402 -5.914 0.000) 6.383 9.924 ( -1.315 2.164 0.000) 2.532 9.924 ( 1.315 2.164 0.000) 2.532 9.933 ( -1.179 1.257 0.000) 1.724 9.933 ( 1.179 1.257 0.000) 1.724 ======================= Grid point 91 (29/84) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.277 ( 0.000 0.000 14.492) 14.492 0.295 ( 0.000 0.000 15.396) 15.396 0.525 ( 0.000 0.000 27.304) 27.304 0.691 ( 0.000 0.000 -6.976) 6.976 0.745 ( 0.000 0.000 -7.280) 7.280 1.144 ( 0.000 0.000 -1.877) 1.877 1.144 ( 0.000 0.000 1.484) 1.484 1.189 ( 0.000 0.000 -0.632) 0.632 1.246 ( 0.000 0.000 0.096) 0.096 1.272 ( 0.000 0.000 -1.344) 1.344 1.383 ( 0.000 0.000 1.179) 1.179 1.462 ( 0.000 0.000 -0.020) 0.020 1.463 ( 0.000 0.000 -0.048) 0.048 1.608 ( 0.000 0.000 -14.182) 14.182 1.767 ( 0.000 0.000 0.561) 0.561 1.792 ( 0.000 0.000 -0.504) 0.504 1.835 ( 0.000 0.000 -3.745) 3.745 1.897 ( 0.000 0.000 -4.048) 4.048 2.139 ( 0.000 0.000 3.573) 3.573 2.151 ( 0.000 0.000 1.620) 1.620 2.613 ( 0.000 0.000 7.368) 7.368 2.825 ( 0.000 0.000 -3.329) 3.329 3.596 ( 0.000 0.000 0.831) 0.831 3.621 ( 0.000 0.000 -0.321) 0.321 4.604 ( 0.000 0.000 3.383) 3.383 4.778 ( 0.000 0.000 -4.234) 4.234 5.066 ( 0.000 0.000 6.066) 6.066 5.325 ( 0.000 0.000 -5.129) 5.129 5.450 ( 0.000 0.000 1.929) 1.929 5.533 ( 0.000 0.000 -1.705) 1.705 5.640 ( 0.000 0.000 2.855) 2.855 5.767 ( 0.000 0.000 -3.068) 3.068 5.953 ( 0.000 0.000 5.221) 5.221 5.980 ( 0.000 0.000 2.798) 2.798 6.028 ( 0.000 0.000 0.779) 0.779 6.047 ( 0.000 0.000 -0.718) 0.718 6.095 ( 0.000 0.000 -1.792) 1.792 6.270 ( 0.000 0.000 -10.686) 10.686 6.653 ( 0.000 0.000 9.151) 9.151 6.903 ( 0.000 0.000 -3.937) 3.937 7.312 ( 0.000 0.000 0.654) 0.654 7.345 ( 0.000 0.000 -0.777) 0.777 7.592 ( 0.000 0.000 0.829) 0.829 7.628 ( 0.000 0.000 -0.709) 0.709 7.661 ( 0.000 0.000 -0.460) 0.460 7.669 ( 0.000 0.000 3.789) 3.789 7.681 ( 0.000 0.000 -1.120) 1.120 7.874 ( 0.000 0.000 -4.846) 4.846 8.290 ( 0.000 0.000 6.007) 6.007 8.591 ( 0.000 0.000 -8.690) 8.690 8.780 ( 0.000 0.000 4.624) 4.624 8.973 ( 0.000 0.000 -4.183) 4.183 9.036 ( 0.000 0.000 8.420) 8.420 9.303 ( 0.000 0.000 -4.477) 4.477 9.436 ( 0.000 0.000 3.150) 3.150 9.545 ( 0.000 0.000 -1.634) 1.634 9.851 ( 0.000 0.000 0.471) 0.471 9.887 ( 0.000 0.000 -0.787) 0.787 9.924 ( 0.000 0.000 0.355) 0.355 9.950 ( 0.000 0.000 -0.537) 0.537 ======================= Grid point 92 (30/84) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( 6.415 0.000 8.392) 10.563 0.484 ( 16.406 0.000 7.215) 17.922 0.666 ( 7.591 0.000 6.861) 10.232 0.734 ( 4.969 0.000 4.663) 6.814 0.766 ( 7.148 0.000 -5.591) 9.075 1.111 ( -2.973 0.000 -1.846) 3.500 1.138 ( -0.721 0.000 1.265) 1.456 1.174 ( -1.620 0.000 -0.487) 1.692 1.273 ( -0.248 0.000 -2.628) 2.640 1.280 ( 2.619 0.000 -2.093) 3.352 1.387 ( 2.285 0.000 3.355) 4.060 1.463 ( 0.086 0.000 0.078) 0.116 1.468 ( 0.447 0.000 -0.122) 0.464 1.660 ( 3.618 0.000 -11.360) 11.923 1.744 ( -3.116 0.000 0.509) 3.157 1.754 ( -1.325 0.000 0.512) 1.421 1.777 ( -1.542 0.000 -0.467) 1.612 1.835 ( -5.252 0.000 -4.563) 6.957 2.067 ( 0.188 0.000 8.826) 8.828 2.243 ( -0.420 0.000 2.912) 2.942 2.615 ( -0.112 0.000 3.107) 3.109 2.766 ( -2.565 0.000 -1.482) 2.962 3.581 ( -1.519 0.000 0.514) 1.603 3.595 ( -2.603 0.000 -0.113) 2.605 4.669 ( 6.704 0.000 2.985) 7.338 4.822 ( 4.451 0.000 -3.676) 5.772 5.087 ( 1.083 0.000 3.016) 3.205 5.152 ( -4.594 0.000 2.712) 5.335 5.435 ( -1.145 0.000 0.995) 1.517 5.470 ( -5.479 0.000 -0.578) 5.510 5.609 ( -3.409 0.000 2.273) 4.097 5.704 ( -6.370 0.000 -2.022) 6.683 5.949 ( -2.013 0.000 1.494) 2.506 5.990 ( -2.185 0.000 -0.345) 2.213 6.098 ( 2.900 0.000 -0.019) 2.900 6.113 ( 1.440 0.000 -0.675) 1.591 6.325 ( 8.579 0.000 -4.369) 9.628 6.482 ( 8.557 0.000 -6.604) 10.808 6.839 ( 16.710 0.000 -11.016) 20.015 6.936 ( 3.402 0.000 -3.929) 5.197 7.341 ( 2.956 0.000 0.486) 2.996 7.366 ( 2.174 0.000 -0.601) 2.256 7.581 ( -1.259 0.000 0.758) 1.470 7.612 ( -4.093 0.000 0.822) 4.175 7.613 ( -1.569 0.000 -0.653) 1.699 7.636 ( -4.160 0.000 0.368) 4.176 7.822 ( 12.287 0.000 -9.648) 15.622 7.936 ( 5.489 0.000 -8.259) 9.917 8.317 ( 3.009 0.000 6.827) 7.461 8.628 ( 3.310 0.000 -9.389) 9.955 8.774 ( -0.612 0.000 4.443) 4.485 8.929 ( -4.630 0.000 -0.513) 4.658 9.032 ( -0.519 0.000 5.573) 5.597 9.275 ( -5.389 0.000 -1.536) 5.604 9.340 ( -9.104 0.000 8.420) 12.401 9.404 ( -3.502 0.000 1.899) 3.984 9.845 ( -0.245 0.000 1.021) 1.050 9.894 ( 0.219 0.000 -1.200) 1.220 9.937 ( 0.079 0.000 0.925) 0.928 9.968 ( 1.555 0.000 -1.023) 1.861 ======================= Grid point 93 (31/84) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( 12.676 0.000 -0.271) 12.679 0.755 ( 5.941 0.000 -7.450) 9.529 0.777 ( 13.834 0.000 2.915) 14.138 0.877 ( 2.138 0.000 6.415) 6.762 0.913 ( 7.473 0.000 -3.096) 8.089 1.053 ( -3.110 0.000 -3.016) 4.332 1.114 ( -1.994 0.000 0.514) 2.059 1.124 ( -3.821 0.000 -0.050) 3.821 1.263 ( 1.381 0.000 -2.207) 2.604 1.337 ( 2.994 0.000 -0.433) 3.026 1.452 ( 2.766 0.000 3.674) 4.599 1.468 ( 0.473 0.000 0.214) 0.519 1.477 ( 0.418 0.000 -0.181) 0.456 1.597 ( -6.881 0.000 -1.956) 7.153 1.725 ( -1.460 0.000 0.341) 1.499 1.740 ( -2.051 0.000 -0.331) 2.077 1.773 ( 1.917 0.000 -1.334) 2.336 1.859 ( 9.994 0.000 -7.037) 12.223 2.047 ( -4.275 0.000 8.121) 9.177 2.181 ( -5.375 0.000 3.723) 6.538 2.620 ( 1.383 0.000 2.004) 2.435 2.731 ( -2.116 0.000 -2.148) 3.015 3.542 ( -2.343 0.000 0.019) 2.343 3.546 ( -1.959 0.000 -0.077) 1.961 4.831 ( 9.610 0.000 1.898) 9.796 4.924 ( 5.554 0.000 -2.153) 5.957 5.084 ( -0.343 0.000 1.617) 1.653 5.122 ( -0.883 0.000 0.029) 0.883 5.383 ( -2.752 0.000 1.066) 2.952 5.406 ( -1.951 0.000 0.210) 1.962 5.518 ( -5.620 0.000 0.899) 5.692 5.556 ( -8.411 0.000 -0.748) 8.445 5.926 ( -0.402 0.000 0.771) 0.869 5.955 ( -1.579 0.000 -0.489) 1.653 6.137 ( 1.096 0.000 -0.055) 1.097 6.139 ( 1.359 0.000 -0.099) 1.363 6.460 ( 5.640 0.000 1.209) 5.768 6.538 ( 0.744 0.000 2.077) 2.206 6.993 ( 3.490 0.000 -3.348) 4.837 7.025 ( 3.365 0.000 -5.929) 6.817 7.413 ( 4.379 0.000 0.127) 4.381 7.420 ( 3.381 0.000 -0.200) 3.387 7.535 ( -3.409 0.000 1.877) 3.891 7.546 ( -2.456 0.000 0.550) 2.517 7.555 ( -3.847 0.000 1.822) 4.256 7.570 ( -3.068 0.000 -0.488) 3.106 8.006 ( 6.780 0.000 -13.249) 14.883 8.038 ( 4.423 0.000 -12.335) 13.104 8.411 ( 7.345 0.000 8.430) 11.181 8.687 ( 2.310 0.000 -6.482) 6.882 8.756 ( -1.658 0.000 4.394) 4.696 8.798 ( -8.585 0.000 4.245) 9.577 9.030 ( 1.010 0.000 1.981) 2.224 9.146 ( -4.799 0.000 3.617) 6.010 9.281 ( -1.517 0.000 -0.729) 1.683 9.327 ( -4.149 0.000 0.126) 4.151 9.845 ( 0.269 0.000 1.585) 1.608 9.881 ( -1.335 0.000 0.323) 1.374 9.954 ( 1.471 0.000 0.218) 1.487 9.985 ( 0.239 0.000 -0.854) 0.887 ======================= Grid point 94 (32/84) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -9.994 0.000 -1.585) 10.119 0.740 ( 9.994 0.000 -1.585) 10.119 0.938 ( -8.372 0.000 -5.608) 10.076 0.938 ( 8.372 0.000 -5.608) 10.076 0.972 ( -5.377 0.000 0.421) 5.393 0.972 ( 5.377 0.000 0.421) 5.393 1.068 ( -1.557 0.000 -0.432) 1.616 1.068 ( 1.557 0.000 -0.432) 1.616 1.346 ( -3.814 0.000 1.297) 4.028 1.346 ( 3.814 0.000 1.297) 4.028 1.478 ( -0.390 0.000 0.046) 0.392 1.478 ( 0.390 0.000 0.046) 0.392 1.486 ( -3.281 0.000 -0.725) 3.361 1.486 ( 3.281 0.000 -0.725) 3.361 1.713 ( -0.498 0.000 -0.013) 0.498 1.713 ( 0.498 0.000 -0.013) 0.498 1.901 ( -9.530 0.000 5.206) 10.859 1.901 ( 9.530 0.000 5.206) 10.859 2.048 ( -8.992 0.000 -1.757) 9.162 2.048 ( 8.992 0.000 -1.757) 9.162 2.673 ( -3.727 0.000 0.390) 3.747 2.673 ( 3.727 0.000 0.390) 3.747 3.522 ( -0.306 0.000 -0.215) 0.375 3.522 ( 0.306 0.000 -0.215) 0.375 4.967 ( -2.874 0.000 0.083) 2.875 4.967 ( 2.874 0.000 0.083) 2.875 5.095 ( -1.420 0.000 0.653) 1.563 5.095 ( 1.420 0.000 0.653) 1.563 5.373 ( -1.183 0.000 0.443) 1.263 5.373 ( 1.183 0.000 0.443) 1.263 5.454 ( -0.733 0.000 -0.143) 0.746 5.454 ( 0.733 0.000 -0.143) 0.746 5.931 ( -0.892 0.000 0.133) 0.902 5.931 ( 0.892 0.000 0.133) 0.902 6.150 ( -0.125 0.000 -0.063) 0.140 6.150 ( 0.125 0.000 -0.063) 0.140 6.529 ( -1.872 0.000 2.715) 3.298 6.529 ( 1.872 0.000 2.715) 3.298 7.038 ( -1.260 0.000 -2.987) 3.242 7.038 ( 1.260 0.000 -2.987) 3.242 7.478 ( -0.951 0.000 0.072) 0.954 7.478 ( 0.951 0.000 0.072) 0.954 7.508 ( -1.809 0.000 -0.075) 1.810 7.508 ( 1.809 0.000 -0.075) 1.810 7.509 ( -0.770 0.000 2.183) 2.314 7.509 ( 0.770 0.000 2.183) 2.314 8.075 ( -0.724 0.000 -12.861) 12.881 8.075 ( 0.724 0.000 -12.861) 12.881 8.586 ( -10.628 0.000 7.871) 13.225 8.586 ( 10.628 0.000 7.871) 13.225 8.736 ( -1.498 0.000 -0.222) 1.514 8.736 ( 1.498 0.000 -0.222) 1.514 9.075 ( -3.338 0.000 -0.133) 3.341 9.075 ( 3.338 0.000 -0.133) 3.341 9.274 ( -1.204 0.000 -0.321) 1.246 9.274 ( 1.204 0.000 -0.321) 1.246 9.857 ( -1.055 0.000 1.445) 1.789 9.857 ( 1.055 0.000 1.445) 1.789 9.978 ( -0.920 0.000 -0.550) 1.072 9.978 ( 0.920 0.000 -0.550) 1.072 ======================= Grid point 98 (33/84) ======================= q-point: ( 0.00 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 0.000 11.498 6.214) 13.070 0.434 ( 0.000 9.878 7.998) 12.709 0.776 ( 0.000 10.349 2.684) 10.691 0.825 ( 0.000 19.777 4.488) 20.280 0.847 ( 0.000 10.779 -4.466) 11.667 1.110 ( 0.000 -1.593 -2.985) 3.383 1.230 ( 0.000 4.026 0.347) 4.041 1.238 ( 0.000 -0.440 -0.423) 0.611 1.267 ( 0.000 3.315 1.469) 3.626 1.287 ( 0.000 5.491 -0.393) 5.506 1.349 ( 0.000 1.547 1.481) 2.141 1.468 ( 0.000 2.639 -1.754) 3.168 1.553 ( 0.000 6.773 1.036) 6.852 1.719 ( 0.000 -2.078 3.960) 4.472 1.759 ( 0.000 10.092 -10.096) 14.275 1.840 ( 0.000 0.309 -2.736) 2.753 1.900 ( 0.000 9.857 -1.974) 10.053 1.923 ( 0.000 8.175 -3.745) 8.992 2.078 ( 0.000 7.482 6.356) 9.817 2.155 ( 0.000 5.103 2.684) 5.765 2.649 ( 0.000 5.146 5.009) 7.181 2.786 ( 0.000 3.705 -1.829) 4.132 3.589 ( 0.000 -0.720 0.672) 0.985 3.607 ( 0.000 -1.377 -0.160) 1.386 4.932 ( 0.000 -2.632 0.447) 2.670 5.004 ( 0.000 -0.310 -3.039) 3.054 5.363 ( 0.000 21.613 8.186) 23.111 5.421 ( 0.000 -2.512 1.619) 2.988 5.576 ( 0.000 16.799 1.494) 16.865 5.743 ( 0.000 7.512 2.868) 8.041 5.869 ( 0.000 6.100 -2.889) 6.749 6.004 ( 0.000 5.124 3.699) 6.320 6.006 ( 0.000 9.162 -1.285) 9.252 6.108 ( 0.000 5.401 0.564) 5.430 6.169 ( 0.000 15.613 1.882) 15.726 6.231 ( 0.000 5.930 -11.067) 12.556 6.281 ( 0.000 17.325 -2.057) 17.446 6.425 ( 0.000 6.058 -10.036) 11.723 6.854 ( 0.000 -3.082 -2.162) 3.764 6.996 ( 0.000 32.951 -31.397) 45.514 7.356 ( 0.000 0.704 -0.913) 1.153 7.380 ( 0.000 10.073 -12.590) 16.124 7.463 ( 0.000 -8.583 1.896) 8.791 7.536 ( 0.000 -7.052 -1.856) 7.292 7.661 ( 0.000 -0.082 -0.230) 0.244 7.688 ( 0.000 0.793 -1.642) 1.824 7.728 ( 0.000 2.105 2.997) 3.662 7.899 ( 0.000 1.337 -5.011) 5.186 8.323 ( 0.000 2.795 5.691) 6.341 8.616 ( 0.000 1.821 -9.107) 9.288 8.773 ( 0.000 -0.944 5.365) 5.447 8.966 ( 0.000 -0.723 -4.211) 4.272 8.998 ( 0.000 -3.627 8.442) 9.189 9.264 ( 0.000 -3.696 -4.468) 5.799 9.266 ( 0.000 -15.770 13.592) 20.819 9.347 ( 0.000 -7.958 2.137) 8.240 9.832 ( 0.000 -1.604 0.400) 1.654 9.861 ( 0.000 -2.311 -0.693) 2.413 9.902 ( 0.000 -2.054 0.422) 2.097 9.925 ( 0.000 -2.298 -0.432) 2.338 ======================= Grid point 99 (34/84) ======================= q-point: ( 0.17 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( 1.650 9.288 5.702) 11.022 0.505 ( 6.743 5.141 5.691) 10.212 0.755 ( -0.386 4.989 -2.437) 5.566 0.926 ( 6.809 11.832 -4.265) 14.302 0.970 ( 10.778 18.001 5.535) 21.699 1.091 ( -1.721 0.024 -2.216) 2.806 1.231 ( -0.777 3.182 -0.833) 3.380 1.257 ( 0.271 4.542 1.419) 4.767 1.260 ( 0.945 0.424 -2.330) 2.550 1.287 ( 0.551 5.271 0.374) 5.313 1.347 ( -0.306 -0.261 2.511) 2.543 1.452 ( -1.635 0.942 -1.416) 2.360 1.560 ( 0.641 6.450 1.260) 6.603 1.680 ( -2.812 1.304 0.214) 3.107 1.802 ( -0.305 1.623 -4.403) 4.702 1.827 ( 2.762 6.816 -4.517) 8.630 1.901 ( 0.539 12.220 -0.918) 12.267 1.951 ( 1.599 10.914 -3.613) 11.607 2.082 ( 0.694 6.064 6.953) 9.252 2.190 ( 2.623 3.190 2.150) 4.656 2.654 ( 0.525 5.473 4.213) 6.927 2.786 ( -0.106 4.026 -2.040) 4.515 3.575 ( -1.407 -0.574 0.331) 1.555 3.582 ( -2.459 -1.226 0.008) 2.748 4.931 ( 0.191 -1.294 1.167) 1.753 5.006 ( 0.660 0.826 -2.504) 2.718 5.348 ( -2.309 13.602 4.227) 14.430 5.387 ( -3.427 0.296 2.664) 4.350 5.484 ( -7.941 17.828 -0.336) 19.519 5.602 ( -17.705 26.492 -0.753) 31.872 5.745 ( -2.321 10.589 1.502) 10.944 5.827 ( -4.412 7.786 -2.036) 9.178 6.046 ( -2.839 5.548 0.235) 6.236 6.055 ( -1.389 9.026 -0.022) 9.133 6.221 ( 2.716 12.617 0.606) 12.920 6.248 ( -0.850 11.035 -0.823) 11.098 6.357 ( 7.866 4.613 -2.450) 9.442 6.493 ( 3.240 0.863 -1.060) 3.517 6.898 ( 4.300 -1.665 -1.805) 4.952 7.053 ( 3.186 15.971 -17.476) 23.888 7.347 ( -0.589 0.430 -0.989) 1.229 7.369 ( 1.333 -0.166 -1.042) 1.700 7.478 ( 0.175 -5.748 0.388) 5.763 7.526 ( -1.119 -6.372 -0.674) 6.504 7.621 ( -3.743 -0.502 -0.068) 3.777 7.637 ( -4.735 -0.218 -0.187) 4.743 7.874 ( 11.198 3.517 -10.039) 15.445 7.972 ( 5.978 2.378 -8.572) 10.718 8.348 ( 2.750 2.584 6.496) 7.512 8.645 ( 2.541 1.069 -9.034) 9.445 8.764 ( -0.898 -1.204 5.088) 5.305 8.910 ( -5.000 -1.887 0.998) 5.436 9.007 ( 0.080 -2.357 4.053) 4.689 9.188 ( -5.487 -8.236 9.497) 13.716 9.262 ( -0.790 -4.361 -2.045) 4.881 9.324 ( -2.417 -7.134 1.257) 7.636 9.825 ( -0.389 -1.774 0.888) 2.022 9.869 ( 0.223 -2.229 -1.092) 2.493 9.907 ( 0.315 -2.510 1.033) 2.732 9.936 ( 1.068 -2.733 -0.610) 2.997 ======================= Grid point 100 (35/84) ======================= q-point: ( 0.33 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 11.440 1.878 0.040) 11.593 0.648 ( 7.210 -0.849 0.212) 7.262 0.803 ( 5.100 2.050 0.205) 5.500 1.002 ( -4.275 -0.086 -3.398) 5.461 1.054 ( 4.996 11.032 -2.823) 12.435 1.124 ( 0.525 11.044 -1.459) 11.152 1.190 ( -1.971 2.506 -0.420) 3.215 1.251 ( -1.818 5.140 -2.706) 6.087 1.294 ( 3.254 7.478 1.899) 8.373 1.325 ( 2.859 2.911 1.028) 4.208 1.339 ( 0.153 -4.647 2.337) 5.203 1.414 ( -2.259 -2.169 -0.448) 3.164 1.573 ( 0.747 5.971 0.704) 6.058 1.628 ( -2.385 4.554 -1.111) 5.259 1.802 ( 1.138 5.143 -0.811) 5.329 1.867 ( -0.462 6.532 -1.725) 6.771 1.925 ( 2.381 11.793 0.658) 12.049 1.979 ( 1.386 8.995 -1.270) 9.190 2.114 ( 2.837 9.314 3.784) 10.446 2.217 ( -0.243 7.149 0.947) 7.216 2.672 ( 1.677 5.835 2.788) 6.680 2.772 ( -1.788 4.510 -1.548) 5.093 3.533 ( -2.134 -0.832 0.108) 2.293 3.542 ( -1.872 -0.346 -0.240) 1.919 4.959 ( 3.123 0.248 2.034) 3.735 5.032 ( 1.585 0.477 -1.185) 2.035 5.267 ( -3.825 4.736 1.202) 6.205 5.306 ( -5.412 -3.382 1.325) 6.518 5.371 ( -2.802 27.157 -0.330) 27.303 5.413 ( -5.352 18.431 -0.061) 19.193 5.709 ( -1.853 11.447 0.231) 11.599 5.736 ( -4.431 10.969 -0.925) 11.866 6.005 ( -1.430 4.856 0.690) 5.109 6.018 ( -1.945 8.684 0.148) 8.901 6.249 ( 0.690 8.876 0.344) 8.910 6.257 ( 0.931 11.309 0.063) 11.348 6.478 ( 4.849 3.324 1.186) 5.998 6.533 ( 1.290 1.765 1.385) 2.588 6.986 ( 4.400 0.224 -1.107) 4.543 7.079 ( -0.258 5.415 -6.048) 8.122 7.364 ( 1.706 -5.307 0.898) 5.647 7.397 ( 1.214 -3.390 -0.650) 3.659 7.474 ( -0.528 -2.016 0.924) 2.280 7.494 ( -1.678 -3.719 1.046) 4.212 7.551 ( -3.257 -0.902 0.393) 3.403 7.555 ( -3.445 -1.358 -0.247) 3.711 8.043 ( 6.436 2.808 -12.364) 14.218 8.074 ( 4.168 2.610 -11.250) 12.277 8.435 ( 6.804 1.880 8.116) 10.756 8.690 ( 2.010 -0.095 -5.752) 6.094 8.740 ( -2.047 -1.609 4.979) 5.619 8.785 ( -7.838 -1.126 3.690) 8.736 9.012 ( 1.046 -2.066 1.599) 2.814 9.108 ( -3.175 -3.660 3.566) 6.017 9.241 ( -1.234 -3.596 -1.802) 4.207 9.269 ( -2.975 -5.264 -0.025) 6.046 9.823 ( 0.271 -1.864 1.470) 2.389 9.858 ( -1.192 -2.034 0.293) 2.375 9.923 ( 1.230 -2.814 0.214) 3.079 9.949 ( 0.205 -3.179 -0.671) 3.255 ======================= Grid point 101 (36/84) ======================= q-point: (-0.50 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -6.146 -1.377 -1.045) 6.384 0.678 ( 6.146 -1.377 -1.045) 6.384 0.907 ( -5.637 -0.017 -3.403) 6.584 0.907 ( 5.637 -0.017 -3.403) 6.584 1.095 ( -2.027 7.492 -0.507) 7.778 1.095 ( 2.027 7.492 -0.507) 7.778 1.200 ( -2.916 5.230 -1.835) 6.263 1.200 ( 2.916 5.230 -1.835) 6.263 1.342 ( -0.822 3.377 1.376) 3.738 1.342 ( 0.822 3.377 1.376) 3.738 1.373 ( -2.085 -2.017 0.276) 2.914 1.373 ( 2.085 -2.017 0.276) 2.914 1.594 ( -1.479 6.570 -0.791) 6.781 1.594 ( 1.479 6.570 -0.791) 6.781 1.833 ( -2.146 8.147 0.110) 8.426 1.833 ( 2.146 8.147 0.110) 8.426 1.974 ( -2.109 4.934 2.610) 5.966 1.974 ( 2.109 4.934 2.610) 5.966 2.179 ( -3.459 13.416 -0.405) 13.861 2.179 ( 3.459 13.416 -0.405) 13.861 2.720 ( -3.237 5.104 0.702) 6.085 2.720 ( 3.237 5.104 0.702) 6.085 3.517 ( -0.484 -0.420 -0.252) 0.688 3.517 ( 0.484 -0.420 -0.252) 0.688 5.027 ( -2.817 -0.135 1.054) 3.011 5.027 ( 2.817 -0.135 1.054) 3.011 5.242 ( -0.938 -2.735 0.921) 3.035 5.242 ( 0.938 -2.735 0.921) 3.035 5.351 ( -1.033 22.358 -0.671) 22.391 5.351 ( 1.033 22.358 -0.671) 22.391 5.690 ( -0.364 12.893 -0.693) 12.917 5.690 ( 0.364 12.893 -0.693) 12.917 5.995 ( -0.379 6.139 0.873) 6.212 5.995 ( 0.379 6.139 0.873) 6.212 6.261 ( -0.390 9.709 0.129) 9.717 6.261 ( 0.390 9.709 0.129) 9.717 6.535 ( -1.331 2.664 1.805) 3.482 6.535 ( 1.331 2.664 1.805) 3.482 7.051 ( -2.580 1.958 -1.987) 3.800 7.051 ( 2.580 1.958 -1.987) 3.800 7.393 ( -1.382 -7.360 1.276) 7.596 7.393 ( 1.382 -7.360 1.276) 7.596 7.478 ( -1.395 -0.591 -0.422) 1.573 7.478 ( 1.395 -0.591 -0.422) 1.573 7.516 ( -0.801 -0.873 0.714) 1.383 7.516 ( 0.801 -0.873 0.714) 1.383 8.109 ( -0.721 2.574 -11.890) 12.187 8.109 ( 0.721 2.574 -11.890) 12.187 8.597 ( -9.864 0.656 7.696) 12.528 8.597 ( 9.864 0.656 7.696) 12.528 8.723 ( -1.449 -1.212 -0.278) 1.909 8.723 ( 1.449 -1.212 -0.278) 1.909 9.052 ( -2.920 -2.584 0.068) 3.900 9.052 ( 2.920 -2.584 0.068) 3.900 9.232 ( -0.675 -3.745 -0.735) 3.876 9.232 ( 0.675 -3.745 -0.735) 3.876 9.836 ( -1.021 -1.879 1.354) 2.531 9.836 ( 1.021 -1.879 1.354) 2.531 9.943 ( -0.794 -3.167 -0.474) 3.300 9.943 ( 0.794 -3.167 -0.474) 3.300 ======================= Grid point 105 (37/84) ======================= q-point: ( 0.00 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 0.000 10.255 4.238) 11.096 0.709 ( 0.000 17.372 -0.074) 17.372 0.950 ( 0.000 8.559 -4.532) 9.685 0.970 ( 0.000 1.722 -3.802) 4.173 1.125 ( 0.000 1.663 0.038) 1.663 1.200 ( 0.000 2.929 -1.662) 3.368 1.285 ( 0.000 4.423 0.832) 4.500 1.306 ( 0.000 5.698 0.601) 5.730 1.365 ( 0.000 13.741 4.178) 14.362 1.436 ( 0.000 9.667 0.980) 9.717 1.493 ( 0.000 8.397 0.432) 8.408 1.562 ( 0.000 4.932 -1.998) 5.321 1.671 ( 0.000 4.275 1.110) 4.417 1.760 ( 0.000 -1.342 -2.730) 3.042 1.829 ( 0.000 11.324 2.704) 11.643 2.005 ( 0.000 12.275 -4.931) 13.228 2.174 ( 0.000 13.622 -1.278) 13.682 2.188 ( 0.000 10.475 -1.279) 10.553 2.302 ( 0.000 14.722 3.989) 15.253 2.393 ( 0.000 18.121 -1.190) 18.160 2.851 ( 0.000 14.142 3.019) 14.461 2.944 ( 0.000 11.585 -1.559) 11.690 3.560 ( 0.000 -2.156 0.297) 2.176 3.562 ( 0.000 -3.003 0.205) 3.010 4.872 ( 0.000 -1.600 2.523) 2.987 4.972 ( 0.000 -1.483 -1.939) 2.441 5.353 ( 0.000 -3.755 1.312) 3.977 5.387 ( 0.000 -3.993 0.022) 3.993 5.881 ( 0.000 5.467 1.150) 5.586 5.917 ( 0.000 -0.999 -0.478) 1.107 6.128 ( 0.000 14.544 3.615) 14.986 6.145 ( 0.000 7.095 2.823) 7.636 6.229 ( 0.000 3.901 3.683) 5.365 6.236 ( 0.000 13.115 -1.307) 13.180 6.279 ( 0.000 -1.124 -3.854) 4.014 6.400 ( 0.000 -0.420 -1.841) 1.888 6.630 ( 0.000 24.746 2.752) 24.899 6.742 ( 0.000 24.752 -2.264) 24.856 6.949 ( 0.000 16.434 4.621) 17.072 7.242 ( 0.000 2.427 -1.483) 2.844 7.277 ( 0.000 -8.271 2.138) 8.543 7.346 ( 0.000 -9.216 -1.374) 9.318 7.377 ( 0.000 1.394 -0.528) 1.491 7.643 ( 0.000 0.030 -3.245) 3.245 7.704 ( 0.000 0.684 -2.023) 2.136 7.727 ( 0.000 10.770 -20.545) 23.197 7.750 ( 0.000 0.701 2.798) 2.885 7.925 ( 0.000 2.530 -9.220) 9.561 8.386 ( 0.000 2.860 4.936) 5.705 8.636 ( 0.000 -0.368 -6.848) 6.858 8.712 ( 0.000 -5.594 8.116) 9.857 8.892 ( 0.000 -6.224 7.843) 10.012 8.933 ( 0.000 -3.113 -4.825) 5.742 9.068 ( 0.000 -3.395 7.292) 8.044 9.149 ( 0.000 -9.550 -0.552) 9.566 9.158 ( 0.000 -6.547 -2.163) 6.895 9.795 ( 0.000 -1.685 -0.148) 1.691 9.805 ( 0.000 -2.694 -0.497) 2.740 9.849 ( 0.000 -2.774 0.590) 2.837 9.863 ( 0.000 -3.400 0.038) 3.401 ======================= Grid point 106 (38/84) ======================= q-point: ( 0.17 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -1.838 16.219 1.580) 16.399 0.681 ( 1.560 11.499 2.523) 11.876 0.889 ( -2.942 6.848 -2.568) 7.883 1.009 ( 1.383 0.694 -6.230) 6.419 1.135 ( 0.950 2.148 0.602) 2.424 1.217 ( 1.005 -0.073 -2.048) 2.282 1.294 ( -0.726 1.599 0.649) 1.872 1.313 ( -0.428 2.729 0.669) 2.843 1.401 ( 3.351 16.517 2.170) 16.993 1.450 ( 2.181 10.650 0.058) 10.871 1.472 ( -1.243 7.805 1.263) 8.004 1.538 ( -1.873 7.810 -1.416) 8.156 1.676 ( 0.666 4.507 1.240) 4.721 1.767 ( 0.661 3.379 -2.427) 4.212 1.849 ( 1.908 8.132 2.486) 8.715 2.000 ( -0.747 9.936 -3.558) 10.580 2.179 ( -0.645 10.386 -0.064) 10.407 2.200 ( 1.075 10.714 -1.018) 10.816 2.322 ( 3.122 17.560 3.237) 18.127 2.427 ( 3.474 18.290 -2.085) 18.734 2.858 ( 0.691 13.964 2.859) 14.270 2.945 ( 0.038 11.449 -1.359) 11.529 3.543 ( -1.785 -2.446 0.353) 3.049 3.552 ( -0.902 -1.795 0.005) 2.010 4.888 ( 1.773 -1.237 2.531) 3.328 4.983 ( 1.196 -1.328 -1.707) 2.471 5.322 ( -3.201 -3.014 1.137) 4.541 5.346 ( -4.189 -3.242 0.291) 5.305 5.859 ( -2.915 5.672 1.102) 6.472 5.877 ( -3.589 -1.083 0.567) 3.791 6.006 ( -9.588 10.545 0.213) 14.254 6.051 ( -6.024 14.379 -1.090) 15.628 6.191 ( -2.199 7.480 2.813) 8.288 6.283 ( -0.613 8.315 -0.753) 8.371 6.319 ( 3.285 3.199 1.490) 4.822 6.418 ( 1.796 0.793 -1.327) 2.370 6.657 ( 2.947 23.664 2.293) 23.956 6.761 ( 1.712 22.805 -1.905) 22.949 6.998 ( 4.400 13.947 4.115) 15.193 7.223 ( -1.250 -0.988 -0.629) 1.713 7.285 ( -0.694 -4.694 -1.257) 4.908 7.318 ( -1.733 -5.508 -0.881) 5.841 7.410 ( 2.436 -0.519 0.170) 2.497 7.546 ( -7.299 7.072 -4.190) 10.993 7.603 ( -3.879 -0.423 -1.575) 4.208 7.629 ( -6.071 0.271 -1.489) 6.257 7.943 ( 10.270 3.004 -9.109) 14.053 8.019 ( 6.777 2.630 -9.712) 12.131 8.406 ( 2.206 2.722 5.480) 6.505 8.649 ( 1.127 -0.999 -6.616) 6.785 8.704 ( -0.743 -5.042 7.559) 9.117 8.847 ( -3.980 -4.113 3.823) 6.882 8.935 ( -0.155 -4.871 -0.153) 4.876 9.047 ( -2.005 -4.689 5.548) 7.536 9.150 ( -0.205 -7.472 -1.765) 7.681 9.156 ( -0.278 -6.465 -1.379) 6.616 9.784 ( -0.523 -1.779 0.502) 1.921 9.814 ( 0.325 -2.699 -0.870) 2.854 9.847 ( -0.106 -2.967 0.938) 3.113 9.866 ( 0.232 -3.781 -0.116) 3.790 ======================= Grid point 107 (39/84) ======================= q-point: ( 0.33 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 3.801 13.804 0.316) 14.321 0.739 ( 3.472 8.079 0.368) 8.801 0.878 ( 1.857 4.472 -0.998) 4.944 0.997 ( -2.766 0.236 -4.448) 5.243 1.160 ( 1.271 1.174 -1.039) 2.018 1.227 ( -0.202 -0.332 -2.858) 2.884 1.245 ( -4.727 1.553 0.201) 4.980 1.258 ( -3.217 -0.038 0.516) 3.258 1.441 ( 1.434 12.531 1.216) 12.671 1.476 ( 1.898 8.835 0.842) 9.076 1.503 ( -1.691 10.918 -0.034) 11.049 1.520 ( 2.496 10.253 0.039) 10.552 1.707 ( 2.916 6.561 0.246) 7.184 1.779 ( 0.317 8.275 -2.132) 8.551 1.890 ( 2.385 4.447 2.145) 5.483 1.974 ( -1.934 5.858 -0.904) 6.235 2.158 ( -1.121 9.814 0.948) 9.923 2.192 ( -1.732 10.375 -0.556) 10.533 2.425 ( 6.680 19.002 1.457) 20.194 2.499 ( 3.264 17.425 -1.780) 17.817 2.874 ( 1.091 13.463 2.217) 13.688 2.938 ( -1.094 11.711 -0.727) 11.784 3.510 ( -1.305 -1.299 0.371) 1.878 3.529 ( -1.459 -1.051 -0.407) 1.844 4.940 ( 3.782 -0.655 2.328) 4.489 5.013 ( 1.658 -1.129 -0.838) 2.174 5.245 ( -4.745 -1.551 0.771) 5.051 5.252 ( -4.747 -1.795 0.763) 5.132 5.771 ( -4.664 8.130 1.745) 9.534 5.795 ( -5.171 3.889 2.606) 6.976 5.891 ( -2.085 8.680 -4.343) 9.927 5.952 ( -4.329 9.468 -4.731) 11.435 6.163 ( -0.407 10.211 4.773) 11.279 6.232 ( -3.386 8.306 2.995) 9.456 6.384 ( 3.080 7.148 -0.213) 7.787 6.441 ( 0.358 4.219 -1.223) 4.407 6.725 ( 3.810 20.658 1.427) 21.055 6.790 ( 0.894 20.449 -1.141) 20.500 7.083 ( 4.390 10.253 2.630) 11.459 7.200 ( -1.463 0.629 -1.218) 2.005 7.251 ( -2.016 -2.793 -0.824) 3.542 7.277 ( -2.490 -5.134 -0.878) 5.773 7.446 ( -0.271 -0.787 1.104) 1.383 7.477 ( 0.737 2.186 0.435) 2.347 7.520 ( -4.837 -1.547 -0.856) 5.150 7.546 ( -2.272 2.017 0.099) 3.040 8.098 ( 5.871 2.248 -11.031) 12.697 8.128 ( 4.380 2.621 -9.543) 10.822 8.474 ( 5.340 1.767 7.147) 9.095 8.662 ( -0.248 -3.146 -0.550) 3.204 8.692 ( -0.351 -2.735 3.286) 4.290 8.757 ( -5.411 -1.605 2.436) 6.147 8.932 ( 0.315 -5.839 0.842) 5.907 9.003 ( -2.594 -6.118 2.696) 7.171 9.141 ( -0.577 -5.607 -1.532) 5.841 9.147 ( -0.638 -5.537 -2.251) 6.011 9.781 ( 0.236 -1.802 1.108) 2.129 9.809 ( -0.786 -2.315 0.195) 2.453 9.850 ( 0.436 -3.831 0.247) 3.864 9.867 ( -0.174 -4.405 -0.276) 4.417 ======================= Grid point 108 (40/84) ======================= q-point: (-0.50 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -2.984 8.196 -0.597) 8.743 0.757 ( 2.984 8.196 -0.597) 8.743 0.932 ( -3.360 1.999 -2.159) 4.466 0.932 ( 3.360 1.999 -2.159) 4.466 1.169 ( -1.619 2.428 -0.121) 2.921 1.169 ( 1.619 2.428 -0.121) 2.921 1.230 ( -0.913 -1.196 -2.108) 2.590 1.230 ( 0.913 -1.196 -2.108) 2.590 1.466 ( -1.553 11.881 0.398) 11.989 1.466 ( 1.553 11.881 0.398) 11.989 1.523 ( -1.677 8.496 1.262) 8.751 1.523 ( 1.677 8.496 1.262) 8.751 1.764 ( -2.234 9.121 -1.372) 9.491 1.764 ( 2.234 9.121 -1.372) 9.491 1.934 ( -2.257 3.208 0.966) 4.040 1.934 ( 2.257 3.208 0.966) 4.040 2.158 ( -1.276 10.758 0.275) 10.836 2.158 ( 1.276 10.758 0.275) 10.836 2.516 ( -2.060 17.525 -0.167) 17.646 2.516 ( 2.060 17.525 -0.167) 17.646 2.904 ( -2.127 12.715 0.785) 12.916 2.904 ( 2.127 12.715 0.785) 12.916 3.505 ( -0.765 -0.701 -0.189) 1.055 3.505 ( 0.765 -0.701 -0.189) 1.055 5.011 ( -2.691 -0.789 1.162) 3.036 5.011 ( 2.691 -0.789 1.162) 3.036 5.194 ( -0.683 -1.016 0.575) 1.353 5.194 ( 0.683 -1.016 0.575) 1.353 5.732 ( -0.864 7.906 1.954) 8.189 5.732 ( 0.864 7.906 1.954) 8.189 5.893 ( -1.823 6.849 -5.266) 8.830 5.893 ( 1.823 6.849 -5.266) 8.830 6.179 ( -1.997 10.274 4.892) 11.553 6.179 ( 1.997 10.274 4.892) 11.553 6.429 ( -1.632 6.721 -1.127) 7.008 6.429 ( 1.632 6.721 -1.127) 7.008 6.782 ( -1.875 19.588 0.138) 19.678 6.782 ( 1.875 19.588 0.138) 19.678 7.156 ( -3.297 7.582 0.220) 8.271 7.156 ( 3.297 7.582 0.220) 8.271 7.240 ( -1.052 -6.528 0.288) 6.619 7.240 ( 1.052 -6.528 0.288) 6.619 7.450 ( -2.004 -1.277 -0.657) 2.466 7.450 ( 2.004 -1.277 -0.657) 2.466 7.513 ( -1.784 1.584 1.433) 2.782 7.513 ( 1.784 1.584 1.433) 2.782 8.161 ( -0.940 2.272 -10.719) 10.998 8.161 ( 0.940 2.272 -10.719) 10.998 8.596 ( -6.768 -1.007 7.274) 9.987 8.596 ( 6.768 -1.007 7.274) 9.987 8.694 ( -0.845 -1.363 0.000) 1.604 8.694 ( 0.845 -1.363 0.000) 1.604 8.956 ( -2.143 -6.527 0.777) 6.913 8.956 ( 2.143 -6.527 0.777) 6.913 9.137 ( -0.250 -4.965 -1.936) 5.335 9.137 ( 0.250 -4.965 -1.936) 5.335 9.792 ( -0.870 -1.935 1.100) 2.390 9.792 ( 0.870 -1.935 1.100) 2.390 9.860 ( -0.527 -4.494 -0.285) 4.533 9.860 ( 0.527 -4.494 -0.285) 4.533 ======================= Grid point 112 (41/84) ======================= q-point: ( 0.00 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 0.000 6.989 1.641) 7.179 0.979 ( 0.000 4.215 -5.248) 6.731 1.038 ( 0.000 7.539 -0.070) 7.539 1.112 ( 0.000 6.184 -3.872) 7.296 1.176 ( 0.000 5.137 1.199) 5.275 1.219 ( 0.000 1.256 -0.095) 1.260 1.308 ( 0.000 1.050 -0.219) 1.072 1.357 ( 0.000 -1.200 -2.191) 2.498 1.633 ( 0.000 9.015 2.004) 9.235 1.650 ( 0.000 4.800 -0.127) 4.802 1.654 ( 0.000 8.971 -0.798) 9.006 1.685 ( 0.000 9.356 -0.413) 9.365 1.786 ( 0.000 8.144 1.881) 8.359 1.849 ( 0.000 7.717 -1.040) 7.786 2.075 ( 0.000 10.402 3.914) 11.114 2.217 ( 0.000 4.814 -2.246) 5.312 2.332 ( 0.000 3.572 -0.376) 3.592 2.342 ( 0.000 8.032 -0.865) 8.079 2.738 ( 0.000 23.965 1.928) 24.043 2.826 ( 0.000 20.370 -2.136) 20.482 3.198 ( 0.000 18.363 1.640) 18.436 3.249 ( 0.000 16.930 -0.759) 16.947 3.496 ( 0.000 -2.200 0.347) 2.227 3.502 ( 0.000 -2.972 0.121) 2.974 4.877 ( 0.000 1.848 2.400) 3.029 4.960 ( 0.000 0.459 -1.308) 1.386 5.274 ( 0.000 -3.700 1.044) 3.844 5.299 ( 0.000 -4.140 0.020) 4.140 5.844 ( 0.000 -5.802 1.405) 5.970 5.941 ( 0.000 -2.387 -3.793) 4.482 6.104 ( 0.000 -4.396 3.543) 5.646 6.192 ( 0.000 -5.103 -1.263) 5.257 6.311 ( 0.000 6.144 3.561) 7.101 6.370 ( 0.000 8.563 2.928) 9.050 6.445 ( 0.000 3.131 -2.400) 3.945 6.512 ( 0.000 12.726 -2.709) 13.011 7.057 ( 0.000 -4.984 0.636) 5.025 7.077 ( 0.000 8.115 0.552) 8.134 7.173 ( 0.000 2.733 -0.409) 2.763 7.240 ( 0.000 16.064 -2.348) 16.235 7.286 ( 0.000 0.877 0.901) 1.257 7.288 ( 0.000 5.494 1.554) 5.710 7.489 ( 0.000 9.538 2.903) 9.970 7.617 ( 0.000 -1.872 -0.274) 1.892 7.726 ( 0.000 3.054 -1.293) 3.317 7.808 ( 0.000 6.500 3.334) 7.305 7.836 ( 0.000 2.390 -5.228) 5.748 8.049 ( 0.000 7.878 -12.400) 14.691 8.431 ( 0.000 1.258 3.536) 3.753 8.570 ( 0.000 -7.031 7.215) 10.074 8.599 ( 0.000 -3.175 -2.608) 4.109 8.754 ( 0.000 -6.574 5.964) 8.876 8.818 ( 0.000 -7.216 -5.792) 9.253 8.960 ( 0.000 -8.989 -1.195) 9.068 9.043 ( 0.000 -4.182 0.081) 4.182 9.059 ( 0.000 0.712 0.578) 0.916 9.769 ( 0.000 -0.426 -0.362) 0.559 9.770 ( 0.000 -1.056 -0.687) 1.260 9.804 ( 0.000 -1.109 0.703) 1.313 9.808 ( 0.000 -0.757 0.752) 1.068 ======================= Grid point 113 (42/84) ======================= q-point: ( 0.17 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 1.717 6.647 1.429) 7.013 0.973 ( -0.767 5.711 -4.054) 7.045 1.008 ( -2.548 8.235 -0.294) 8.625 1.073 ( -2.769 5.321 -3.620) 7.006 1.186 ( 0.454 3.882 0.661) 3.963 1.222 ( 0.300 1.515 -0.968) 1.823 1.306 ( -0.363 1.058 0.004) 1.119 1.340 ( -1.796 -0.099 -1.313) 2.227 1.630 ( -0.512 7.451 0.551) 7.489 1.641 ( 1.111 8.513 0.644) 8.609 1.699 ( 3.467 9.619 -0.632) 10.244 1.727 ( 2.358 8.113 -1.130) 8.524 1.782 ( 0.087 7.124 2.123) 7.434 1.854 ( 1.121 6.152 -1.198) 6.367 2.063 ( -1.323 9.582 3.723) 10.365 2.188 ( -3.061 5.801 -1.849) 6.815 2.336 ( -0.210 7.171 -0.249) 7.179 2.345 ( 0.957 4.136 -0.564) 4.282 2.766 ( 2.813 22.379 1.439) 22.601 2.837 ( 1.013 18.552 -1.777) 18.665 3.198 ( 0.039 17.933 1.488) 17.995 3.245 ( -0.254 16.759 -0.680) 16.775 3.496 ( -0.031 -0.968 0.398) 1.047 3.505 ( 0.264 -2.040 0.014) 2.058 4.894 ( 1.902 1.716 2.361) 3.484 4.973 ( 1.282 0.449 -1.119) 1.760 5.260 ( -1.469 -2.823 0.982) 3.330 5.279 ( -2.084 -3.010 0.223) 3.668 5.779 ( -4.894 -6.977 2.527) 8.889 5.924 ( -2.446 -0.837 -4.122) 4.866 6.078 ( -3.543 -2.037 0.849) 4.174 6.131 ( -5.628 -1.925 -1.150) 6.059 6.309 ( 1.000 5.454 4.223) 6.970 6.382 ( 0.623 7.443 2.879) 8.004 6.456 ( 1.585 3.474 -1.484) 4.097 6.542 ( 2.315 10.874 -2.679) 11.436 7.060 ( 0.391 -3.924 0.519) 3.977 7.082 ( 0.430 4.124 0.348) 4.161 7.169 ( -0.310 5.775 -0.111) 5.785 7.234 ( -0.606 15.051 -2.038) 15.201 7.283 ( -0.310 5.275 0.885) 5.357 7.289 ( -0.002 0.255 0.471) 0.535 7.492 ( -0.759 4.509 2.869) 5.398 7.550 ( -5.841 -1.921 0.290) 6.156 7.649 ( -3.630 9.144 -0.344) 9.844 7.762 ( -1.292 8.798 -0.598) 8.913 7.991 ( 8.980 1.812 -4.354) 10.143 8.101 ( 4.499 5.260 -9.853) 12.041 8.454 ( 2.276 1.681 3.524) 4.519 8.570 ( -0.097 -6.608 5.498) 8.597 8.607 ( 0.875 -3.327 -1.125) 3.619 8.748 ( -0.866 -5.206 5.369) 7.529 8.792 ( -2.184 -8.112 -3.749) 9.200 8.935 ( -2.233 -6.894 0.936) 7.306 9.029 ( -0.645 -4.921 -1.730) 5.256 9.076 ( 0.472 -0.803 -1.064) 1.414 9.764 ( -0.207 -0.131 -0.126) 0.275 9.774 ( 0.169 -0.996 -0.478) 1.117 9.800 ( -0.437 -1.458 0.655) 1.657 9.802 ( -0.582 -1.038 0.679) 1.370 ======================= Grid point 114 (43/84) ======================= q-point: ( 0.33 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 2.820 5.780 0.470) 6.448 0.955 ( -0.861 10.348 -1.740) 10.528 0.975 ( -0.567 4.813 -1.359) 5.034 1.025 ( -2.463 3.098 -3.598) 5.349 1.197 ( 0.905 2.764 -0.040) 2.909 1.226 ( 0.052 1.732 -1.419) 2.240 1.288 ( -1.689 2.782 0.060) 3.255 1.293 ( -2.822 2.878 -0.095) 4.032 1.635 ( 0.901 6.969 0.824) 7.075 1.672 ( 1.827 8.091 -0.517) 8.311 1.709 ( -1.623 8.821 0.630) 8.991 1.748 ( -0.659 10.123 -1.283) 10.225 1.834 ( 5.332 5.887 0.997) 8.005 1.910 ( 4.437 5.068 -1.617) 6.928 2.023 ( -2.968 7.061 3.184) 8.295 2.110 ( -4.972 6.393 -0.936) 8.153 2.338 ( 0.520 7.545 0.445) 7.576 2.359 ( 0.254 5.629 -0.598) 5.666 2.825 ( 2.853 17.756 0.353) 17.987 2.854 ( 0.642 14.972 -0.932) 15.015 3.204 ( 0.688 17.628 1.170) 17.680 3.240 ( -0.430 16.807 -0.407) 16.818 3.496 ( 0.109 1.001 0.377) 1.075 3.508 ( -0.093 -0.102 -0.103) 0.172 4.945 ( 3.382 1.083 2.115) 4.134 5.002 ( 1.447 0.140 -0.361) 1.498 5.223 ( -2.368 -0.687 0.734) 2.573 5.227 ( -2.961 -0.699 0.689) 3.120 5.713 ( -1.520 -6.549 2.788) 7.278 5.839 ( -6.359 -1.594 -1.200) 6.665 6.001 ( -2.948 1.272 -3.234) 4.557 6.036 ( -4.088 1.032 -2.659) 4.985 6.335 ( 1.367 6.186 5.135) 8.155 6.379 ( -0.860 7.425 3.575) 8.286 6.509 ( 3.527 3.793 -1.314) 5.344 6.574 ( 0.777 8.369 -2.684) 8.823 7.071 ( 0.671 -3.525 0.267) 3.599 7.088 ( 0.092 -2.141 -0.164) 2.149 7.172 ( 0.859 11.814 0.472) 11.855 7.220 ( -0.862 13.983 -1.052) 14.049 7.272 ( -0.837 3.903 0.549) 4.029 7.282 ( -0.785 0.284 -0.797) 1.154 7.439 ( -3.458 -1.847 0.877) 4.018 7.455 ( -3.570 -2.801 0.575) 4.574 7.649 ( 2.367 15.504 1.683) 15.773 7.737 ( -1.601 13.376 0.965) 13.506 8.127 ( 5.354 0.352 -8.039) 9.665 8.181 ( 3.181 2.455 -8.806) 9.679 8.505 ( 2.897 1.032 4.832) 5.728 8.567 ( -0.161 -5.302 4.803) 7.156 8.628 ( 1.231 -3.428 0.220) 3.649 8.709 ( -2.881 -3.625 1.161) 4.774 8.777 ( 0.748 -8.257 2.349) 8.617 8.882 ( -3.466 -4.837 2.280) 6.372 9.026 ( 0.425 -5.793 -3.448) 6.754 9.067 ( -1.179 -1.929 -2.904) 3.681 9.763 ( 0.169 0.104 0.348) 0.401 9.776 ( 0.021 -0.782 0.006) 0.782 9.788 ( -0.824 -1.384 0.456) 1.674 9.790 ( -0.586 -2.128 0.485) 2.260 ======================= Grid point 115 (44/84) ======================= q-point: (-0.50 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -1.594 7.050 -0.844) 7.278 0.939 ( 1.594 7.050 -0.844) 7.278 0.984 ( -1.516 3.537 -2.175) 4.420 0.984 ( 1.516 3.537 -2.175) 4.420 1.220 ( -1.100 1.934 -0.770) 2.354 1.220 ( 1.100 1.934 -0.770) 2.354 1.261 ( -0.108 4.835 -0.270) 4.843 1.261 ( 0.108 4.835 -0.270) 4.843 1.662 ( -1.920 6.154 1.195) 6.556 1.662 ( 1.920 6.154 1.195) 6.556 1.720 ( -2.015 10.037 -1.156) 10.302 1.720 ( 2.015 10.037 -1.156) 10.302 1.934 ( -4.540 6.793 0.512) 8.187 1.934 ( 4.540 6.793 0.512) 8.187 2.015 ( -4.706 4.895 0.122) 6.791 2.015 ( 4.706 4.895 0.122) 6.791 2.352 ( -0.806 7.502 0.133) 7.546 2.352 ( 0.806 7.502 0.133) 7.546 2.857 ( -0.550 14.019 -0.430) 14.036 2.857 ( 0.550 14.019 -0.430) 14.036 3.224 ( -1.246 17.378 0.468) 17.429 3.224 ( 1.246 17.378 0.468) 17.429 3.502 ( -0.436 1.324 0.062) 1.395 3.502 ( 0.436 1.324 0.062) 1.395 5.002 ( -1.909 -0.020 1.204) 2.257 5.002 ( 1.909 -0.020 1.204) 2.257 5.194 ( -0.280 0.743 0.554) 0.968 5.194 ( 0.280 0.743 0.554) 0.968 5.734 ( -3.784 -4.164 1.727) 5.886 5.734 ( 3.784 -4.164 1.727) 5.886 5.986 ( -1.144 2.078 -4.413) 5.010 5.986 ( 1.144 2.078 -4.413) 5.010 6.358 ( -1.188 7.336 4.989) 8.951 6.358 ( 1.188 7.336 4.989) 8.951 6.564 ( -1.904 5.690 -2.271) 6.415 6.564 ( 1.904 5.690 -2.271) 6.415 7.083 ( -0.574 -3.729 -0.102) 3.775 7.083 ( 0.574 -3.729 -0.102) 3.775 7.198 ( -1.586 14.031 0.395) 14.126 7.198 ( 1.586 14.031 0.395) 14.126 7.266 ( -0.508 1.597 -0.499) 1.748 7.266 ( 0.508 1.597 -0.499) 1.748 7.414 ( -0.747 -2.923 0.060) 3.017 7.414 ( 0.747 -2.923 0.060) 3.017 7.699 ( -2.505 15.453 2.267) 15.818 7.699 ( 2.505 15.453 2.267) 15.818 8.194 ( -1.779 0.757 -9.666) 9.857 8.194 ( 1.779 0.757 -9.666) 9.857 8.552 ( -1.797 -3.035 5.928) 6.897 8.552 ( 1.797 -3.035 5.928) 6.897 8.659 ( -2.266 -2.794 0.636) 3.653 8.659 ( 2.266 -2.794 0.636) 3.653 8.816 ( -3.212 -5.788 2.651) 7.130 8.816 ( 3.212 -5.788 2.651) 7.130 9.042 ( -1.230 -4.032 -3.722) 5.624 9.042 ( 1.230 -4.032 -3.722) 5.624 9.771 ( -0.594 0.019 0.673) 0.898 9.771 ( 0.594 0.019 0.673) 0.898 9.781 ( -0.242 -2.262 0.098) 2.277 9.781 ( 0.242 -2.262 0.098) 2.277 ======================= Grid point 119 (45/84) ======================= q-point: ( 0.00 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 0.000 5.687 -0.379) 5.699 1.035 ( 0.000 2.732 -3.482) 4.426 1.123 ( 0.000 1.990 0.653) 2.094 1.181 ( 0.000 1.311 -2.563) 2.879 1.268 ( 0.000 3.111 -0.773) 3.206 1.302 ( 0.000 2.121 -3.409) 4.015 1.361 ( 0.000 3.848 -0.269) 3.858 1.366 ( 0.000 5.375 -0.401) 5.390 1.729 ( 0.000 1.830 0.515) 1.901 1.753 ( 0.000 1.434 -0.796) 1.640 1.817 ( 0.000 8.861 1.844) 9.050 1.867 ( 0.000 8.481 -0.785) 8.517 1.964 ( 0.000 7.180 0.791) 7.223 1.996 ( 0.000 5.731 -0.669) 5.770 2.154 ( 0.000 -3.666 1.617) 4.007 2.183 ( 0.000 -6.107 -0.198) 6.110 2.438 ( 0.000 8.016 2.313) 8.343 2.542 ( 0.000 9.480 -2.005) 9.690 3.071 ( 0.000 1.022 0.817) 1.308 3.106 ( 0.000 6.110 -0.701) 6.150 3.536 ( 0.000 10.658 1.370) 10.746 3.570 ( 0.000 16.841 0.754) 16.858 3.590 ( 0.000 13.062 -0.792) 13.086 3.604 ( 0.000 16.524 -0.538) 16.533 4.936 ( 0.000 3.507 1.721) 3.907 4.988 ( 0.000 2.066 -0.627) 2.159 5.206 ( 0.000 -2.772 1.105) 2.984 5.226 ( 0.000 -2.836 0.330) 2.855 5.699 ( 0.000 -7.501 1.094) 7.581 5.763 ( 0.000 -10.843 -1.917) 11.012 6.101 ( 0.000 1.271 0.491) 1.362 6.108 ( 0.000 -2.899 0.048) 2.900 6.427 ( 0.000 5.134 1.211) 5.275 6.494 ( 0.000 1.367 -1.254) 1.855 6.525 ( 0.000 6.175 5.294) 8.134 6.739 ( 0.000 8.788 -4.086) 9.691 6.935 ( 0.000 -4.794 0.511) 4.821 6.977 ( 0.000 -4.816 -1.525) 5.052 7.274 ( 0.000 -2.727 0.588) 2.789 7.292 ( 0.000 -2.393 -0.275) 2.408 7.428 ( 0.000 9.815 0.650) 9.837 7.493 ( 0.000 6.493 -1.922) 6.772 7.574 ( 0.000 0.876 0.695) 1.118 7.586 ( 0.000 -0.555 0.232) 0.602 7.873 ( 0.000 9.445 -1.485) 9.561 7.900 ( 0.000 4.070 -1.727) 4.422 8.020 ( 0.000 11.055 3.954) 11.741 8.198 ( 0.000 5.896 -5.885) 8.330 8.422 ( 0.000 -2.211 1.698) 2.788 8.443 ( 0.000 -4.989 3.477) 6.081 8.491 ( 0.000 -7.117 2.189) 7.446 8.659 ( 0.000 -2.046 2.576) 3.290 8.672 ( 0.000 -7.599 -5.357) 9.297 8.792 ( 0.000 -5.743 -1.959) 6.068 8.968 ( 0.000 -3.617 2.084) 4.174 9.054 ( 0.000 -1.662 -1.624) 2.323 9.757 ( 0.000 0.522 0.866) 1.011 9.791 ( 0.000 2.369 -0.598) 2.443 9.816 ( 0.000 2.250 0.945) 2.440 9.846 ( 0.000 3.599 -0.375) 3.619 ======================= Grid point 120 (46/84) ======================= q-point: ( 0.17 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 0.770 5.241 -0.528) 5.324 1.035 ( 0.052 2.880 -3.337) 4.408 1.108 ( -1.399 2.458 0.336) 2.849 1.161 ( -1.927 2.016 -2.504) 3.748 1.266 ( -0.072 3.656 -0.586) 3.704 1.303 ( 0.145 3.289 -3.050) 4.487 1.360 ( -0.032 3.630 -0.048) 3.630 1.369 ( 0.231 4.689 -0.210) 4.699 1.732 ( 0.083 1.789 0.510) 1.862 1.762 ( 0.903 1.732 -1.066) 2.225 1.848 ( 2.849 7.409 1.119) 8.016 1.884 ( 0.552 7.253 -1.082) 7.354 1.942 ( -0.556 6.279 1.404) 6.458 1.977 ( -1.399 4.257 -0.447) 4.503 2.159 ( 0.030 -1.034 1.891) 2.155 2.200 ( 1.242 -3.135 -0.360) 3.391 2.436 ( 0.034 6.604 1.725) 6.826 2.517 ( -2.338 8.815 -1.572) 9.254 3.056 ( -1.419 1.101 0.709) 1.931 3.089 ( -1.682 4.690 -0.727) 5.035 3.544 ( 0.880 13.732 1.439) 13.835 3.586 ( 1.425 14.315 0.433) 14.392 3.601 ( 0.954 13.872 -0.864) 13.931 3.603 ( -0.016 15.169 -0.210) 15.171 4.948 ( 1.240 3.108 1.809) 3.804 4.999 ( 0.983 1.844 -0.459) 2.139 5.208 ( 0.171 -2.165 1.018) 2.398 5.224 ( -0.234 -2.340 0.410) 2.387 5.628 ( -4.236 -6.768 2.954) 8.513 5.805 ( 1.508 -8.433 -5.480) 10.169 6.051 ( -4.867 -1.330 2.076) 5.456 6.089 ( -2.082 -0.936 -0.181) 2.290 6.428 ( 0.636 5.630 1.542) 5.872 6.510 ( 1.136 2.993 -0.922) 3.331 6.539 ( 1.778 5.289 4.360) 7.082 6.737 ( -0.384 7.600 -3.767) 8.491 6.945 ( 1.021 -4.792 0.198) 4.903 6.971 ( -0.401 -4.985 -1.112) 5.123 7.261 ( -1.264 -3.305 0.583) 3.586 7.278 ( -1.472 -2.067 -0.139) 2.541 7.415 ( -1.499 5.671 0.454) 5.883 7.471 ( -2.446 4.694 -1.844) 5.605 7.536 ( -2.967 4.385 0.645) 5.334 7.541 ( -3.567 2.656 0.336) 4.460 7.897 ( 2.377 10.043 -0.701) 10.344 7.949 ( 3.967 7.270 -1.041) 8.347 8.048 ( 2.541 5.492 1.968) 6.364 8.213 ( 1.325 4.782 -5.986) 7.775 8.445 ( 0.756 -4.188 3.018) 5.217 8.456 ( 2.693 -2.736 1.707) 4.202 8.512 ( 2.065 -6.241 2.038) 6.883 8.621 ( -1.913 -5.962 -0.381) 6.273 8.689 ( -1.302 -2.049 -0.906) 2.591 8.788 ( 0.973 -6.182 -0.696) 6.296 8.942 ( -2.424 -3.917 1.366) 4.805 9.054 ( -0.471 -2.200 -2.623) 3.456 9.763 ( 0.496 0.902 0.824) 1.319 9.792 ( 0.079 2.440 -0.430) 2.479 9.811 ( -0.402 2.345 0.839) 2.523 9.835 ( -1.012 3.557 -0.240) 3.706 ======================= Grid point 121 (47/84) ======================= q-point: ( 0.33 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 1.441 4.134 -0.987) 4.488 1.036 ( -0.129 2.580 -2.992) 3.953 1.080 ( -1.148 3.786 -0.378) 3.974 1.119 ( -2.343 3.272 -2.369) 4.669 1.269 ( 0.493 4.047 -0.195) 4.082 1.303 ( -0.402 4.722 -1.629) 5.011 1.359 ( 0.093 3.601 0.018) 3.602 1.374 ( 0.170 4.743 -0.341) 4.758 1.731 ( 0.007 1.444 0.535) 1.540 1.772 ( -0.552 0.994 -1.633) 1.990 1.851 ( -1.129 4.281 0.595) 4.468 1.891 ( -0.381 4.501 -1.742) 4.841 1.969 ( 3.318 6.379 2.082) 7.486 2.014 ( 5.344 5.043 -0.218) 7.351 2.134 ( -2.967 3.331 2.457) 5.093 2.199 ( -2.075 1.733 -0.733) 2.801 2.447 ( 1.075 3.991 0.636) 4.182 2.477 ( -1.355 6.222 -0.556) 6.392 3.027 ( -1.308 1.136 0.364) 1.770 3.050 ( -2.200 2.282 -0.628) 3.231 3.566 ( 1.236 16.261 1.195) 16.352 3.598 ( -0.452 16.171 0.072) 16.178 3.613 ( 1.262 12.067 0.046) 12.133 3.621 ( 0.909 12.183 -0.533) 12.228 4.979 ( 1.934 1.960 1.842) 3.313 5.016 ( 0.553 1.050 0.222) 1.207 5.210 ( -0.066 -0.820 0.745) 1.110 5.215 ( -0.611 -0.831 0.557) 1.173 5.588 ( 0.547 -4.391 3.101) 5.404 5.775 ( -5.385 -3.379 -5.332) 8.297 5.970 ( -1.906 -3.208 2.008) 4.238 6.037 ( -3.180 -0.880 -1.148) 3.494 6.457 ( 2.167 5.712 1.954) 6.414 6.518 ( -0.396 5.567 1.136) 5.696 6.594 ( 3.722 3.988 0.955) 5.538 6.717 ( -1.915 5.444 -2.773) 6.402 6.969 ( 1.239 -4.496 -0.274) 4.672 6.972 ( 0.550 -5.034 -0.459) 5.085 7.233 ( -1.430 -4.327 0.409) 4.576 7.245 ( -1.791 -2.707 0.007) 3.246 7.377 ( -2.039 -0.498 0.582) 2.178 7.408 ( -3.581 1.016 -0.548) 3.762 7.490 ( -1.324 9.427 -0.064) 9.520 7.497 ( -1.421 8.361 -0.276) 8.486 7.946 ( 2.673 10.074 0.743) 10.449 8.001 ( 0.840 11.898 2.492) 12.185 8.115 ( 4.771 -0.979 -4.519) 6.644 8.231 ( 0.088 2.554 -7.003) 7.455 8.458 ( 0.950 -4.163 4.264) 6.034 8.505 ( 1.179 -2.394 1.510) 3.066 8.559 ( 2.101 -3.585 -0.078) 4.156 8.590 ( -1.806 -6.111 -1.322) 6.508 8.656 ( 0.825 -3.073 5.724) 6.549 8.809 ( -1.165 -2.711 2.679) 3.986 8.907 ( 0.498 -5.685 -3.014) 6.454 9.025 ( -2.650 -3.041 -3.977) 5.664 9.770 ( 0.281 1.743 0.658) 1.884 9.789 ( -0.488 2.478 -0.138) 2.529 9.806 ( -0.034 2.610 0.608) 2.680 9.816 ( -0.761 3.456 0.143) 3.541 ======================= Grid point 122 (48/84) ======================= q-point: (-0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -1.639 2.825 -1.782) 3.721 1.018 ( 1.639 2.825 -1.782) 3.721 1.083 ( -1.316 4.171 -1.783) 4.724 1.083 ( 1.316 4.171 -1.783) 4.724 1.286 ( -1.175 4.343 -0.114) 4.501 1.286 ( 1.175 4.343 -0.114) 4.501 1.369 ( -0.698 4.821 -0.630) 4.912 1.369 ( 0.698 4.821 -0.630) 4.912 1.743 ( -1.498 0.847 0.125) 1.726 1.743 ( 1.498 0.847 0.125) 1.726 1.864 ( -1.719 3.640 -1.270) 4.221 1.864 ( 1.719 3.640 -1.270) 4.221 2.055 ( -4.845 5.479 2.313) 7.671 2.055 ( 4.845 5.479 2.313) 7.671 2.123 ( -5.460 4.764 -0.598) 7.271 2.123 ( 5.460 4.764 -0.598) 7.271 2.464 ( -0.569 3.817 0.104) 3.860 2.464 ( 0.569 3.817 0.104) 3.860 3.020 ( -0.704 1.136 -0.201) 1.352 3.020 ( 0.704 1.136 -0.201) 1.352 3.585 ( -0.858 16.366 0.655) 16.401 3.585 ( 0.858 16.366 0.655) 16.401 3.628 ( -0.225 11.804 -0.271) 11.809 3.628 ( 0.225 11.804 -0.271) 11.809 5.010 ( -1.177 0.781 1.327) 1.938 5.010 ( 1.177 0.781 1.327) 1.938 5.208 ( -0.065 0.092 0.475) 0.488 5.208 ( 0.065 0.092 0.475) 0.488 5.652 ( -5.959 -2.478 0.602) 6.481 5.652 ( 5.959 -2.478 0.602) 6.481 5.982 ( -2.367 -2.081 -1.457) 3.472 5.982 ( 2.367 -2.081 -1.457) 3.472 6.496 ( -1.819 6.010 1.863) 6.550 6.496 ( 1.819 6.010 1.863) 6.550 6.665 ( -3.569 4.072 -1.177) 5.541 6.665 ( 3.569 4.072 -1.177) 5.541 6.981 ( -0.119 -4.427 -0.335) 4.442 6.981 ( 0.119 -4.427 -0.335) 4.442 7.221 ( -0.418 -4.325 0.082) 4.346 7.221 ( 0.418 -4.325 0.082) 4.346 7.363 ( -0.904 -0.482 0.529) 1.153 7.363 ( 0.904 -0.482 0.529) 1.153 7.482 ( -0.241 9.898 -0.565) 9.917 7.482 ( 0.241 9.898 -0.565) 9.917 7.989 ( -1.710 10.383 2.329) 10.778 7.989 ( 1.710 10.383 2.329) 10.778 8.200 ( -3.506 0.676 -7.608) 8.404 8.200 ( 3.506 0.676 -7.608) 8.404 8.486 ( -2.031 -2.935 4.304) 5.591 8.486 ( 2.031 -2.935 4.304) 5.591 8.573 ( -0.265 -4.612 -0.526) 4.650 8.573 ( 0.265 -4.612 -0.526) 4.650 8.733 ( -5.461 -2.980 4.854) 7.891 8.733 ( 5.461 -2.980 4.854) 7.891 8.961 ( -3.861 -4.302 -4.647) 7.417 8.961 ( 3.861 -4.302 -4.647) 7.417 9.777 ( -0.576 2.339 0.273) 2.424 9.777 ( 0.576 2.339 0.273) 2.424 9.808 ( -0.216 3.073 0.427) 3.110 9.808 ( 0.216 3.073 0.427) 3.110 ======================= Grid point 126 (49/84) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 0.000 4.875 -1.859) 5.217 1.100 ( 0.000 3.296 -2.857) 4.362 1.164 ( 0.000 2.073 0.217) 2.085 1.199 ( 0.000 0.603 -1.708) 1.811 1.347 ( 0.000 4.657 -1.281) 4.830 1.348 ( 0.000 3.740 -2.029) 4.255 1.445 ( 0.000 4.131 -0.084) 4.131 1.472 ( 0.000 3.841 -1.375) 4.080 1.709 ( 0.000 -3.538 0.830) 3.634 1.736 ( 0.000 -2.669 -0.507) 2.717 1.934 ( 0.000 -7.975 0.514) 7.991 1.953 ( 0.000 -2.685 -0.036) 2.686 2.027 ( 0.000 0.119 0.064) 0.135 2.045 ( 0.000 3.410 -0.739) 3.489 2.091 ( 0.000 1.767 0.420) 1.816 2.094 ( 0.000 2.492 0.406) 2.525 2.613 ( 0.000 8.086 2.819) 8.564 2.711 ( 0.000 6.862 -1.581) 7.041 2.994 ( 0.000 -5.563 1.868) 5.868 3.061 ( 0.000 -5.729 -1.103) 5.835 3.846 ( 0.000 14.349 1.116) 14.392 3.877 ( 0.000 12.052 0.626) 12.069 3.890 ( 0.000 13.162 -0.722) 13.182 3.903 ( 0.000 11.925 -0.443) 11.933 5.008 ( 0.000 3.157 0.903) 3.283 5.035 ( 0.000 2.134 -0.352) 2.163 5.162 ( 0.000 -1.515 1.705) 2.281 5.180 ( 0.000 -1.663 1.005) 1.944 5.560 ( 0.000 -5.452 0.071) 5.452 5.569 ( 0.000 -7.171 -0.518) 7.190 6.071 ( 0.000 -0.692 0.445) 0.823 6.112 ( 0.000 -0.282 -1.384) 1.412 6.503 ( 0.000 -0.050 0.969) 0.970 6.516 ( 0.000 2.914 -0.126) 2.917 6.637 ( 0.000 5.453 5.908) 8.040 6.863 ( 0.000 3.467 -4.753) 5.883 6.877 ( 0.000 -0.812 0.065) 0.814 6.936 ( 0.000 0.230 -2.298) 2.310 7.168 ( 0.000 -6.901 0.921) 6.962 7.206 ( 0.000 -5.392 -0.851) 5.459 7.558 ( 0.000 3.310 -0.637) 3.370 7.569 ( 0.000 2.060 -0.804) 2.212 7.596 ( 0.000 1.183 0.704) 1.376 7.601 ( 0.000 1.615 0.691) 1.757 8.003 ( 0.000 5.702 0.651) 5.739 8.057 ( 0.000 7.468 -2.117) 7.762 8.193 ( 0.000 5.404 2.421) 5.921 8.278 ( 0.000 1.530 -1.940) 2.470 8.344 ( 0.000 -5.979 2.706) 6.563 8.367 ( 0.000 -2.268 0.374) 2.299 8.370 ( 0.000 -2.035 0.744) 2.167 8.490 ( 0.000 -8.997 -3.495) 9.652 8.655 ( 0.000 1.175 1.147) 1.642 8.738 ( 0.000 -0.525 -2.725) 2.775 8.889 ( 0.000 -3.862 2.859) 4.805 8.988 ( 0.000 -4.423 -1.862) 4.799 9.797 ( 0.000 3.006 1.547) 3.381 9.855 ( 0.000 3.420 -0.927) 3.544 9.877 ( 0.000 3.043 1.212) 3.275 9.926 ( 0.000 3.434 -0.845) 3.536 ======================= Grid point 127 (50/84) ======================= q-point: ( 0.17 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -0.027 4.568 -1.902) 4.948 1.098 ( -0.191 3.069 -2.831) 4.180 1.157 ( -0.627 2.159 -0.175) 2.255 1.188 ( -1.097 0.844 -1.787) 2.260 1.353 ( 0.701 5.192 -0.799) 5.300 1.367 ( 1.796 3.790 -1.853) 4.585 1.440 ( -0.482 4.105 -0.086) 4.134 1.465 ( -0.593 3.552 -1.250) 3.812 1.703 ( -0.723 -4.188 0.826) 4.329 1.738 ( -0.016 -3.277 -0.900) 3.399 1.915 ( -1.936 -5.867 -0.111) 6.180 1.923 ( -2.777 -5.727 -0.211) 6.368 2.031 ( 2.129 5.591 1.136) 6.089 2.053 ( 1.448 4.510 -0.038) 4.737 2.132 ( 3.017 0.326 0.509) 3.077 2.146 ( 3.864 -0.313 -0.271) 3.886 2.594 ( -1.870 7.817 2.466) 8.407 2.679 ( -3.236 6.827 -1.332) 7.672 2.988 ( -0.708 -5.321 1.502) 5.574 3.041 ( -2.033 -5.539 -0.863) 5.963 3.852 ( 0.628 13.661 0.879) 13.704 3.880 ( -0.379 12.275 -0.299) 12.285 3.886 ( 0.574 12.429 0.516) 12.453 3.913 ( 0.550 12.358 -0.570) 12.383 5.011 ( 0.391 2.809 1.141) 3.057 5.037 ( 0.144 1.581 -0.021) 1.587 5.169 ( 0.614 -1.745 1.272) 2.245 5.181 ( 0.043 -1.902 1.037) 2.166 5.526 ( -0.379 -2.749 2.028) 3.437 5.644 ( 4.754 -6.431 -3.155) 8.597 6.026 ( -5.135 -0.597 1.102) 5.286 6.077 ( -3.123 -0.800 -1.242) 3.454 6.526 ( 1.184 3.244 -0.014) 3.453 6.534 ( 3.026 0.205 0.412) 3.061 6.644 ( 0.706 4.992 5.542) 7.492 6.844 ( -1.917 2.678 -4.007) 5.187 6.886 ( 0.860 -0.668 -0.287) 1.126 6.925 ( -0.971 0.147 -1.860) 2.104 7.149 ( -1.861 -6.810 0.813) 7.106 7.189 ( -1.806 -5.664 -0.992) 6.027 7.490 ( -4.538 3.549 0.549) 5.787 7.523 ( -4.117 2.026 -0.704) 4.642 7.596 ( -0.302 1.112 0.785) 1.394 7.629 ( 0.940 2.581 -0.587) 2.808 8.043 ( 3.857 4.303 -0.050) 5.779 8.071 ( 1.396 7.114 -1.632) 7.431 8.191 ( -0.246 5.693 2.419) 6.191 8.284 ( 0.508 2.098 -2.367) 3.203 8.371 ( 2.677 -5.455 2.077) 6.422 8.377 ( 0.760 -2.345 1.443) 2.856 8.399 ( 3.183 -2.836 0.189) 4.267 8.487 ( -0.087 -7.351 -2.337) 7.714 8.673 ( 0.338 0.202 -0.302) 0.496 8.720 ( -0.488 -0.723 -0.988) 1.318 8.860 ( -2.894 -3.877 2.578) 5.482 8.977 ( -1.454 -5.017 -2.371) 5.736 9.809 ( 1.216 3.200 1.344) 3.677 9.858 ( 0.291 3.472 -0.687) 3.551 9.876 ( -0.072 3.317 1.008) 3.468 9.917 ( -0.888 3.609 -0.673) 3.777 ======================= Grid point 128 (51/84) ======================= q-point: ( 0.33 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 0.278 3.865 -2.063) 4.390 1.092 ( -0.536 2.808 -2.614) 3.874 1.145 ( -0.447 2.203 -0.981) 2.452 1.164 ( -1.338 1.401 -1.800) 2.645 1.371 ( 1.225 6.060 -0.014) 6.183 1.403 ( 1.422 4.629 -1.616) 5.105 1.430 ( -0.318 3.629 0.059) 3.644 1.455 ( -0.471 2.794 -1.125) 3.048 1.687 ( -0.657 -4.933 0.426) 4.994 1.724 ( -1.637 -4.565 -1.465) 5.066 1.872 ( -1.316 -2.839 0.623) 3.190 1.890 ( -1.351 -4.867 -0.461) 5.072 2.089 ( 3.545 5.116 1.213) 6.342 2.106 ( 3.777 3.403 0.078) 5.085 2.177 ( 1.420 1.280 0.946) 2.133 2.203 ( 1.692 -0.342 -0.443) 1.782 2.557 ( -1.539 6.749 1.525) 7.089 2.606 ( -3.958 6.394 -0.633) 7.547 2.971 ( -0.873 -4.865 0.766) 5.002 2.996 ( -2.387 -5.111 -0.347) 5.651 3.867 ( 0.816 12.706 0.563) 12.745 3.876 ( 0.001 12.133 0.083) 12.133 3.899 ( 0.657 12.297 0.257) 12.318 3.918 ( -0.123 12.259 -0.460) 12.268 5.022 ( 0.695 2.149 1.449) 2.684 5.038 ( -0.063 1.010 0.747) 1.258 5.178 ( 0.305 -2.510 0.734) 2.633 5.183 ( 0.174 -1.985 0.722) 2.119 5.557 ( 3.683 1.204 2.438) 4.578 5.720 ( 1.786 -2.110 -5.555) 6.205 5.909 ( -5.074 -1.797 3.733) 6.551 6.005 ( -4.537 -2.117 -1.437) 5.209 6.560 ( 2.301 3.687 0.273) 4.355 6.596 ( 2.659 2.036 -0.190) 3.355 6.663 ( 1.694 2.854 3.589) 4.889 6.793 ( -3.461 1.813 -2.512) 4.645 6.908 ( 1.298 -1.197 -0.646) 1.880 6.912 ( -0.127 -0.450 -1.010) 1.113 7.109 ( -1.961 -6.674 0.470) 6.972 7.143 ( -2.805 -6.067 -1.017) 6.761 7.419 ( -2.675 4.145 1.056) 5.045 7.444 ( -3.741 2.510 0.325) 4.517 7.593 ( 0.235 1.399 -0.038) 1.419 7.627 ( -0.864 2.742 -1.275) 3.145 8.094 ( 1.352 5.446 -0.442) 5.629 8.116 ( 1.990 2.410 -0.645) 3.191 8.199 ( 2.127 6.607 0.868) 6.995 8.288 ( -0.413 2.628 -3.167) 4.136 8.396 ( 1.633 -1.884 2.600) 3.602 8.427 ( 2.598 -4.321 1.301) 5.207 8.467 ( 2.947 -3.772 -0.812) 4.855 8.489 ( 0.151 -5.021 -0.919) 5.107 8.638 ( -1.425 0.660 2.521) 2.970 8.755 ( 0.708 -2.472 1.771) 3.122 8.797 ( -1.592 -4.689 -1.239) 5.104 8.930 ( -3.452 -5.842 -3.166) 7.488 9.835 ( 1.318 3.789 0.868) 4.104 9.863 ( 0.097 3.911 -0.348) 3.928 9.875 ( 0.039 3.542 0.740) 3.619 9.898 ( -1.005 3.796 -0.238) 3.934 ======================= Grid point 129 (52/84) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -0.614 3.132 -2.316) 3.943 1.080 ( 0.614 3.132 -2.316) 3.943 1.145 ( -0.503 1.923 -1.564) 2.529 1.145 ( 0.503 1.923 -1.564) 2.529 1.396 ( -1.295 6.223 -0.033) 6.357 1.396 ( 1.295 6.223 -0.033) 6.357 1.443 ( -0.912 2.430 -1.042) 2.797 1.443 ( 0.912 2.430 -1.042) 2.797 1.691 ( -1.277 -4.895 -0.624) 5.098 1.691 ( 1.277 -4.895 -0.624) 5.098 1.870 ( -0.732 -3.236 0.142) 3.321 1.870 ( 0.732 -3.236 0.142) 3.321 2.144 ( -1.306 2.770 0.810) 3.167 2.144 ( 1.306 2.770 0.810) 3.167 2.198 ( -1.693 2.265 0.121) 2.830 2.198 ( 1.693 2.265 0.121) 2.830 2.553 ( -1.345 5.741 0.381) 5.909 2.553 ( 1.345 5.741 0.381) 5.909 2.966 ( -0.628 -4.755 0.160) 4.799 2.966 ( 0.628 -4.755 0.160) 4.799 3.876 ( -0.139 12.276 0.417) 12.284 3.876 ( 0.139 12.276 0.417) 12.284 3.910 ( -0.582 12.142 -0.216) 12.158 3.910 ( 0.582 12.142 -0.216) 12.158 5.033 ( -0.454 1.424 1.359) 2.020 5.033 ( 0.454 1.424 1.359) 2.020 5.183 ( -0.200 -2.442 0.480) 2.497 5.183 ( 0.200 -2.442 0.480) 2.497 5.656 ( -6.329 2.697 -0.099) 6.880 5.656 ( 6.329 2.697 -0.099) 6.880 5.918 ( -4.261 -3.799 -0.145) 5.710 5.918 ( 4.261 -3.799 -0.145) 5.710 6.601 ( -1.635 3.975 0.746) 4.362 6.601 ( 1.635 3.975 0.746) 4.362 6.722 ( -3.985 1.097 -0.486) 4.162 6.722 ( 3.985 1.097 -0.486) 4.162 6.918 ( -0.334 -1.323 -0.573) 1.480 6.918 ( 0.334 -1.323 -0.573) 1.480 7.100 ( -1.281 -6.348 -0.429) 6.490 7.100 ( 1.281 -6.348 -0.429) 6.490 7.400 ( -0.761 3.535 1.119) 3.785 7.400 ( 0.761 3.535 1.119) 3.785 7.607 ( -1.100 2.123 -1.076) 2.622 7.607 ( 1.100 2.123 -1.076) 2.622 8.116 ( -1.003 3.995 0.394) 4.137 8.116 ( 1.003 3.995 0.394) 4.137 8.258 ( -2.861 4.008 -2.730) 5.631 8.258 ( 2.861 4.008 -2.730) 5.631 8.437 ( -2.052 -2.011 1.995) 3.498 8.437 ( 2.052 -2.011 1.995) 3.498 8.485 ( -0.467 -3.851 -0.358) 3.896 8.485 ( 0.467 -3.851 -0.358) 3.896 8.680 ( -4.928 -1.863 3.738) 6.459 8.680 ( 4.928 -1.863 3.738) 6.459 8.855 ( -4.354 -5.799 -3.662) 8.124 8.855 ( 4.354 -5.799 -3.662) 8.124 9.855 ( -0.863 4.338 0.276) 4.432 9.855 ( 0.863 4.338 0.276) 4.432 9.883 ( -0.643 3.552 0.248) 3.618 9.883 ( 0.643 3.552 0.248) 3.618 ======================= Grid point 133 (53/84) ======================= q-point: ( 0.00 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 0.000 2.901 -2.446) 3.794 1.161 ( 0.000 2.480 -2.283) 3.371 1.188 ( 0.000 -0.140 -1.387) 1.394 1.199 ( 0.000 -0.797 -1.500) 1.699 1.456 ( 0.000 5.405 0.205) 5.409 1.467 ( 0.000 6.982 -0.419) 6.995 1.530 ( 0.000 1.732 -1.740) 2.455 1.531 ( 0.000 3.697 -1.605) 4.030 1.614 ( 0.000 -4.183 1.281) 4.375 1.664 ( 0.000 -4.426 -1.385) 4.637 1.722 ( 0.000 -7.951 1.577) 8.106 1.771 ( 0.000 -8.658 -0.843) 8.699 2.104 ( 0.000 1.415 0.323) 1.452 2.110 ( 0.000 2.370 0.237) 2.382 2.116 ( 0.000 1.039 0.192) 1.056 2.134 ( 0.000 0.766 -0.548) 0.942 2.762 ( 0.000 6.281 2.247) 6.671 2.832 ( 0.000 4.938 -1.011) 5.041 2.882 ( 0.000 -5.051 1.970) 5.422 2.942 ( 0.000 -5.410 -0.792) 5.468 4.050 ( 0.000 4.981 0.580) 5.015 4.053 ( 0.000 4.535 0.497) 4.562 4.078 ( 0.000 4.532 -0.221) 4.537 4.078 ( 0.000 4.606 -0.259) 4.613 5.057 ( 0.000 1.472 -0.152) 1.480 5.065 ( 0.000 0.642 -0.637) 0.905 5.144 ( 0.000 -0.238 2.695) 2.706 5.152 ( 0.000 -1.011 2.325) 2.536 5.477 ( 0.000 -1.855 -0.439) 1.906 5.482 ( 0.000 -2.091 -0.491) 2.148 6.073 ( 0.000 0.740 -0.467) 0.875 6.095 ( 0.000 -1.131 -1.439) 1.830 6.512 ( 0.000 1.042 2.364) 2.583 6.535 ( 0.000 -0.670 1.623) 1.756 6.770 ( 0.000 7.082 3.265) 7.799 6.886 ( 0.000 -2.537 -1.132) 2.778 6.895 ( 0.000 2.307 -1.633) 2.826 6.946 ( 0.000 -0.346 -4.220) 4.234 7.037 ( 0.000 -2.926 0.809) 3.036 7.092 ( 0.000 -5.178 -1.540) 5.402 7.596 ( 0.000 0.854 -0.175) 0.872 7.598 ( 0.000 0.696 -0.147) 0.711 7.615 ( 0.000 0.761 0.762) 1.077 7.624 ( 0.000 0.211 0.540) 0.580 8.126 ( 0.000 5.816 0.691) 5.857 8.163 ( 0.000 2.854 -1.260) 3.120 8.232 ( 0.000 -2.986 0.963) 3.138 8.238 ( 0.000 -1.615 1.447) 2.169 8.307 ( 0.000 0.397 0.136) 0.420 8.340 ( 0.000 -4.195 -1.516) 4.460 8.346 ( 0.000 0.150 -0.459) 0.483 8.354 ( 0.000 -0.241 -0.605) 0.651 8.694 ( 0.000 2.342 0.110) 2.345 8.735 ( 0.000 -0.816 -2.117) 2.269 8.833 ( 0.000 -0.273 2.020) 2.038 8.889 ( 0.000 -4.601 -0.877) 4.684 9.862 ( 0.000 2.853 1.590) 3.266 9.896 ( 0.000 -0.025 1.024) 1.024 9.937 ( 0.000 2.666 -0.651) 2.745 9.966 ( 0.000 0.227 -1.004) 1.029 ======================= Grid point 134 (54/84) ======================= q-point: ( 0.17 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -0.425 2.831 -2.435) 3.759 1.156 ( -0.487 2.336 -2.247) 3.277 1.180 ( -0.718 -0.103 -1.493) 1.660 1.192 ( -0.747 -0.713 -1.568) 1.878 1.453 ( 0.159 4.431 0.247) 4.440 1.486 ( 1.321 6.009 -0.850) 6.211 1.520 ( -0.905 1.723 -1.687) 2.576 1.527 ( -0.453 3.346 -1.680) 3.771 1.603 ( -0.725 -2.900 1.599) 3.390 1.664 ( -0.412 -2.643 -1.311) 2.979 1.727 ( 0.559 -8.659 1.245) 8.765 1.762 ( -0.707 -8.094 -0.464) 8.138 2.117 ( 1.559 1.873 0.382) 2.467 2.129 ( 1.736 2.963 0.069) 3.434 2.138 ( 2.189 -0.287 0.386) 2.241 2.156 ( 2.082 0.168 -0.408) 2.128 2.745 ( -1.644 6.700 1.960) 7.172 2.805 ( -2.731 5.522 -0.813) 6.213 2.874 ( -0.822 -5.523 1.677) 5.830 2.923 ( -1.979 -5.610 -0.556) 5.975 4.051 ( 0.222 5.185 0.428) 5.208 4.059 ( 0.447 4.402 0.287) 4.434 4.071 ( -0.190 5.107 0.079) 5.111 4.085 ( 0.260 3.899 -0.272) 3.917 5.055 ( -0.105 1.208 -0.156) 1.222 5.060 ( -0.265 0.670 -0.380) 0.815 5.139 ( -0.570 -0.750 2.438) 2.613 5.148 ( -0.329 -1.246 2.321) 2.655 5.509 ( 3.949 0.708 0.439) 4.036 5.547 ( 5.691 -3.075 -1.180) 6.575 6.030 ( -4.695 0.867 -0.431) 4.793 6.054 ( -4.031 -1.305 -1.508) 4.498 6.538 ( 2.685 0.661 2.183) 3.523 6.554 ( 1.965 -0.328 1.545) 2.521 6.762 ( -0.958 6.123 2.858) 6.825 6.858 ( -2.425 -1.722 -1.100) 3.171 6.904 ( 0.408 1.574 -1.513) 2.221 6.938 ( -0.621 0.156 -3.720) 3.775 7.025 ( -1.262 -2.960 0.785) 3.312 7.073 ( -1.928 -5.046 -1.430) 5.588 7.561 ( -3.123 1.788 0.285) 3.610 7.566 ( -2.500 3.014 -0.079) 3.917 7.596 ( -1.557 -0.503 1.069) 1.954 7.631 ( -0.106 -1.831 -0.547) 1.914 8.150 ( 2.325 5.573 0.641) 6.073 8.185 ( 1.835 3.657 -1.145) 4.248 8.250 ( 1.137 -0.590 1.597) 2.047 8.268 ( 3.080 -3.230 0.567) 4.499 8.316 ( 0.947 0.412 -0.008) 1.033 8.348 ( 1.069 -3.862 -1.364) 4.233 8.361 ( 1.020 -0.353 -0.158) 1.091 8.366 ( 1.913 -0.819 -0.386) 2.117 8.692 ( -0.438 1.513 -0.532) 1.662 8.720 ( -1.340 -0.374 -1.938) 2.385 8.805 ( -2.847 -0.200 2.274) 3.649 8.866 ( -2.396 -5.037 -0.893) 5.649 9.875 ( 1.221 2.654 1.360) 3.223 9.902 ( 0.641 0.295 0.881) 1.129 9.939 ( 0.102 2.510 -0.513) 2.564 9.962 ( -0.406 0.519 -0.816) 1.049 ======================= Grid point 135 (55/84) ======================= q-point: ( 0.33 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -0.303 2.570 -2.406) 3.533 1.146 ( -0.545 2.164 -2.210) 3.140 1.167 ( -0.532 -0.051 -1.746) 1.826 1.175 ( -0.876 -0.431 -1.742) 1.997 1.462 ( 0.794 2.612 -0.382) 2.757 1.499 ( -0.908 2.649 -1.951) 3.413 1.506 ( 0.381 2.087 -1.232) 2.454 1.517 ( -0.462 2.539 -1.752) 3.119 1.600 ( 0.455 0.726 1.770) 1.967 1.644 ( -1.524 -0.574 -0.438) 1.686 1.739 ( 0.545 -8.381 0.896) 8.446 1.751 ( -0.376 -7.437 0.426) 7.458 2.157 ( 2.348 1.748 0.374) 2.951 2.168 ( 1.994 2.435 0.036) 3.147 2.183 ( 2.311 -0.661 0.455) 2.446 2.197 ( 1.876 -0.544 -0.203) 1.964 2.710 ( -1.662 7.537 1.289) 7.826 2.744 ( -3.376 6.745 -0.212) 7.546 2.855 ( -0.937 -6.232 0.994) 6.380 2.879 ( -2.329 -6.100 -0.061) 6.529 4.058 ( 0.506 5.247 0.254) 5.277 4.065 ( 0.134 5.281 -0.065) 5.283 4.073 ( 0.342 4.248 0.374) 4.278 4.086 ( -0.155 3.709 -0.184) 3.716 5.058 ( 0.571 1.204 0.477) 1.415 5.064 ( 0.609 1.374 0.278) 1.528 5.126 ( -0.633 -1.692 1.827) 2.570 5.139 ( -0.732 -2.081 1.378) 2.601 5.610 ( 6.546 3.209 0.958) 7.353 5.672 ( 7.202 -2.658 -1.689) 7.861 5.909 ( -7.588 1.565 0.440) 7.761 5.955 ( -6.320 -2.529 -1.552) 6.982 6.599 ( 3.433 0.799 1.829) 3.971 6.612 ( 4.312 -0.309 1.053) 4.449 6.730 ( -2.481 3.705 2.173) 4.960 6.795 ( -4.206 -1.796 -0.590) 4.611 6.914 ( 0.771 1.425 -1.372) 2.123 6.930 ( -0.210 1.204 -2.407) 2.699 6.996 ( -1.512 -3.064 0.091) 3.418 7.028 ( -2.603 -4.577 -1.336) 5.432 7.506 ( -2.128 3.365 0.829) 4.066 7.520 ( -2.197 5.080 -0.033) 5.535 7.575 ( -0.340 -2.500 0.495) 2.571 7.615 ( -1.505 -3.213 -1.139) 3.726 8.193 ( 1.804 5.212 0.304) 5.524 8.214 ( 0.930 5.058 -0.574) 5.175 8.274 ( 1.557 0.063 1.023) 1.864 8.309 ( 0.625 -2.407 -0.462) 2.529 8.352 ( 2.973 -0.590 0.393) 3.056 8.381 ( 2.076 -2.321 -0.430) 3.143 8.392 ( 2.177 -1.249 0.399) 2.541 8.412 ( 2.264 -1.833 -0.290) 2.927 8.668 ( -1.553 1.944 -0.671) 2.577 8.709 ( 0.466 -2.261 -1.842) 2.953 8.738 ( -3.973 0.164 2.179) 4.535 8.806 ( -3.798 -5.521 -1.077) 6.788 9.902 ( 1.540 2.298 0.832) 2.888 9.918 ( 0.943 0.940 0.540) 1.436 9.938 ( -0.236 2.197 -0.167) 2.215 9.951 ( -0.743 1.077 -0.352) 1.355 ======================= Grid point 136 (56/84) ======================= q-point: (-0.50 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -0.168 2.249 -2.310) 3.229 1.139 ( 0.168 2.249 -2.310) 3.229 1.164 ( -0.253 -0.124 -1.854) 1.876 1.164 ( 0.253 -0.124 -1.854) 1.876 1.480 ( -1.011 1.894 -1.261) 2.490 1.480 ( 1.011 1.894 -1.261) 2.490 1.511 ( -0.261 1.647 -1.957) 2.571 1.511 ( 0.261 1.647 -1.957) 2.571 1.617 ( -1.255 1.431 1.118) 2.208 1.617 ( 1.255 1.431 1.118) 2.208 1.746 ( -0.271 -7.649 0.856) 7.702 1.746 ( 0.271 -7.649 0.856) 7.702 2.186 ( -0.364 1.640 0.181) 1.689 2.186 ( 0.364 1.640 0.181) 1.689 2.212 ( -0.485 -0.631 0.163) 0.812 2.212 ( 0.485 -0.631 0.163) 0.812 2.700 ( -0.899 7.743 0.544) 7.814 2.700 ( 0.899 7.743 0.544) 7.814 2.850 ( -0.583 -6.471 0.412) 6.510 2.850 ( 0.583 -6.471 0.412) 6.510 4.065 ( -0.152 5.305 0.159) 5.310 4.065 ( 0.152 5.305 0.159) 5.310 4.081 ( -0.406 3.910 -0.007) 3.931 4.081 ( 0.406 3.910 -0.007) 3.931 5.070 ( -0.323 2.184 1.135) 2.482 5.070 ( 0.323 2.184 1.135) 2.482 5.124 ( -0.559 -2.915 0.731) 3.056 5.124 ( 0.559 -2.915 0.731) 3.056 5.739 ( -5.837 4.652 -0.400) 7.475 5.739 ( 5.837 4.652 -0.400) 7.475 5.833 ( -5.341 -4.349 -0.203) 6.890 5.833 ( 5.341 -4.349 -0.203) 6.890 6.664 ( -2.862 2.413 1.382) 3.990 6.664 ( 2.862 2.413 1.382) 3.990 6.710 ( -4.250 -1.854 0.644) 4.681 6.710 ( 4.250 -1.854 0.644) 4.681 6.927 ( -0.392 1.870 -1.181) 2.246 6.927 ( 0.392 1.870 -1.181) 2.246 6.989 ( -1.128 -4.135 -1.226) 4.458 6.989 ( 1.128 -4.135 -1.226) 4.458 7.492 ( -0.570 4.984 0.550) 5.047 7.492 ( 0.570 4.984 0.550) 5.047 7.585 ( -1.340 -3.451 -0.623) 3.754 7.585 ( 1.340 -3.451 -0.623) 3.754 8.215 ( -0.640 5.422 0.074) 5.460 8.215 ( 0.640 5.422 0.074) 5.460 8.302 ( -1.129 -1.303 -0.222) 1.739 8.302 ( 1.129 -1.303 -0.222) 1.739 8.400 ( -1.021 -0.633 0.340) 1.249 8.400 ( 1.021 -0.633 0.340) 1.249 8.422 ( -0.996 -2.070 0.032) 2.297 8.422 ( 0.996 -2.070 0.032) 2.297 8.672 ( -2.394 1.428 0.996) 2.961 8.672 ( 2.394 1.428 0.996) 2.961 8.740 ( -2.827 -4.836 -1.671) 5.846 8.740 ( 2.827 -4.836 -1.671) 5.846 9.927 ( -0.962 2.141 0.221) 2.357 9.927 ( 0.962 2.141 0.221) 2.357 9.936 ( -0.860 1.252 0.198) 1.532 9.936 ( 0.860 1.252 0.198) 1.532 ======================= Grid point 182 (57/84) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 0.000 0.000 -11.630) 11.630 0.518 ( 0.000 0.000 11.630) 11.630 0.549 ( 0.000 0.000 -12.197) 12.197 0.549 ( 0.000 0.000 12.197) 12.197 0.990 ( 0.000 0.000 -19.415) 19.415 0.990 ( 0.000 0.000 19.415) 19.415 1.171 ( 0.000 0.000 -1.290) 1.290 1.171 ( 0.000 0.000 1.290) 1.290 1.230 ( 0.000 0.000 -0.318) 0.318 1.230 ( 0.000 0.000 0.318) 0.318 1.426 ( 0.000 0.000 -4.336) 4.336 1.426 ( 0.000 0.000 4.336) 4.336 1.462 ( 0.000 0.000 -0.024) 0.024 1.462 ( 0.000 0.000 0.024) 0.024 1.780 ( 0.000 0.000 -0.749) 0.749 1.780 ( 0.000 0.000 0.749) 0.749 1.822 ( 0.000 0.000 -2.544) 2.544 1.822 ( 0.000 0.000 2.544) 2.544 2.174 ( 0.000 0.000 -0.019) 0.019 2.174 ( 0.000 0.000 0.019) 0.019 2.739 ( 0.000 0.000 -5.991) 5.991 2.739 ( 0.000 0.000 5.991) 5.991 3.611 ( 0.000 0.000 -0.756) 0.756 3.611 ( 0.000 0.000 0.756) 0.756 4.686 ( 0.000 0.000 -5.267) 5.267 4.686 ( 0.000 0.000 5.267) 5.267 5.201 ( 0.000 0.000 -7.861) 7.861 5.201 ( 0.000 0.000 7.861) 7.861 5.493 ( 0.000 0.000 -2.535) 2.535 5.493 ( 0.000 0.000 2.535) 2.535 5.703 ( 0.000 0.000 -3.726) 3.726 5.703 ( 0.000 0.000 3.726) 3.726 6.026 ( 0.000 0.000 -1.776) 1.776 6.026 ( 0.000 0.000 1.776) 1.776 6.054 ( 0.000 0.000 -2.186) 2.186 6.054 ( 0.000 0.000 2.186) 2.186 6.086 ( 0.000 0.000 -9.032) 9.032 6.086 ( 0.000 0.000 9.032) 9.032 6.802 ( 0.000 0.000 -6.977) 6.977 6.802 ( 0.000 0.000 6.977) 6.977 7.328 ( 0.000 0.000 -0.996) 0.996 7.328 ( 0.000 0.000 0.996) 0.996 7.611 ( 0.000 0.000 -1.072) 1.072 7.611 ( 0.000 0.000 1.072) 1.072 7.659 ( 0.000 0.000 -0.501) 0.501 7.659 ( 0.000 0.000 0.501) 0.501 7.768 ( 0.000 0.000 -6.116) 6.116 7.768 ( 0.000 0.000 6.116) 6.116 8.429 ( 0.000 0.000 -8.658) 8.658 8.429 ( 0.000 0.000 8.658) 8.658 8.879 ( 0.000 0.000 -5.723) 5.723 8.879 ( 0.000 0.000 5.723) 5.723 9.189 ( 0.000 0.000 -7.735) 7.735 9.189 ( 0.000 0.000 7.735) 7.735 9.499 ( 0.000 0.000 -3.272) 3.272 9.499 ( 0.000 0.000 3.272) 3.272 9.867 ( 0.000 0.000 -1.186) 1.186 9.867 ( 0.000 0.000 1.186) 1.186 9.936 ( 0.000 0.000 -0.839) 0.839 9.936 ( 0.000 0.000 0.839) 0.839 ======================= Grid point 184 (58/84) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( -0.354 0.000 -11.354) 11.360 0.518 ( -0.354 0.000 11.354) 11.360 0.634 ( 10.614 0.000 -8.340) 13.499 0.634 ( 10.614 0.000 8.340) 13.499 1.019 ( 1.234 0.000 -12.096) 12.159 1.019 ( 1.234 0.000 12.096) 12.159 1.160 ( -1.220 0.000 -1.043) 1.606 1.160 ( -1.220 0.000 1.043) 1.606 1.233 ( 1.023 0.000 -1.597) 1.897 1.233 ( 1.023 0.000 1.597) 1.897 1.465 ( 0.283 0.000 -0.146) 0.318 1.465 ( 0.283 0.000 0.146) 0.318 1.470 ( 5.017 0.000 -6.550) 8.251 1.470 ( 5.017 0.000 6.550) 8.251 1.765 ( -1.441 0.000 -0.690) 1.598 1.765 ( -1.441 0.000 0.690) 1.598 1.771 ( -4.302 0.000 -2.502) 4.976 1.771 ( -4.302 0.000 2.502) 4.976 2.207 ( 1.666 0.000 -5.452) 5.701 2.207 ( 1.666 0.000 5.452) 5.701 2.704 ( -2.626 0.000 -4.948) 5.602 2.704 ( -2.626 0.000 4.948) 5.602 3.590 ( -2.139 0.000 -0.422) 2.180 3.590 ( -2.139 0.000 0.422) 2.180 4.742 ( 5.671 0.000 -4.618) 7.314 4.742 ( 5.671 0.000 4.618) 7.314 5.151 ( -3.174 0.000 -2.675) 4.150 5.151 ( -3.174 0.000 2.675) 4.150 5.455 ( -2.960 0.000 -1.040) 3.138 5.455 ( -2.960 0.000 1.040) 3.138 5.658 ( -4.776 0.000 -2.850) 5.562 5.658 ( -4.776 0.000 2.850) 5.562 5.976 ( -2.695 0.000 -1.231) 2.963 5.976 ( -2.695 0.000 1.231) 2.963 6.101 ( 2.564 0.000 -0.444) 2.602 6.101 ( 2.564 0.000 0.444) 2.602 6.320 ( 16.115 0.000 -4.976) 16.866 6.320 ( 16.115 0.000 4.976) 16.866 6.847 ( 4.937 0.000 -5.161) 7.142 6.847 ( 4.937 0.000 5.161) 7.142 7.353 ( 2.572 0.000 -0.755) 2.680 7.353 ( 2.572 0.000 0.755) 2.680 7.597 ( -1.423 0.000 -0.984) 1.730 7.597 ( -1.423 0.000 0.984) 1.730 7.629 ( -2.864 0.000 -0.839) 2.984 7.629 ( -2.864 0.000 0.839) 2.984 7.810 ( 4.050 0.000 -5.026) 6.455 7.810 ( 4.050 0.000 5.026) 6.455 8.462 ( 3.489 0.000 -8.704) 9.377 8.462 ( 3.489 0.000 8.704) 9.377 8.862 ( -1.702 0.000 -4.909) 5.196 8.862 ( -1.702 0.000 4.909) 5.196 9.169 ( -2.188 0.000 -7.574) 7.884 9.169 ( -2.188 0.000 7.574) 7.884 9.422 ( -6.649 0.000 -0.896) 6.709 9.422 ( -6.649 0.000 0.896) 6.709 9.869 ( 0.235 0.000 -1.482) 1.500 9.869 ( 0.235 0.000 1.482) 1.500 9.951 ( 1.055 0.000 -0.793) 1.320 9.951 ( 1.055 0.000 0.793) 1.320 ======================= Grid point 186 (59/84) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 8.051 0.000 -8.218) 11.505 0.596 ( 8.051 0.000 8.218) 11.505 0.844 ( 10.565 0.000 -4.100) 11.333 0.844 ( 10.565 0.000 4.100) 11.333 0.974 ( -5.998 0.000 -4.913) 7.754 0.974 ( -5.998 0.000 4.913) 7.754 1.121 ( -3.055 0.000 -0.277) 3.067 1.121 ( -3.055 0.000 0.277) 3.067 1.296 ( 5.069 0.000 -3.952) 6.428 1.296 ( 5.069 0.000 3.952) 6.428 1.472 ( 0.474 0.000 -0.281) 0.551 1.472 ( 0.474 0.000 0.281) 0.551 1.529 ( -2.010 0.000 -4.623) 5.041 1.529 ( -2.010 0.000 4.623) 5.041 1.733 ( -1.770 0.000 -0.475) 1.833 1.733 ( -1.770 0.000 0.475) 1.833 1.776 ( 8.196 0.000 -1.847) 8.401 1.776 ( 8.196 0.000 1.847) 8.401 2.173 ( -6.072 0.000 -4.355) 7.473 2.173 ( -6.072 0.000 4.355) 7.473 2.676 ( -0.253 0.000 -3.592) 3.601 2.676 ( -0.253 0.000 3.592) 3.601 3.544 ( -2.328 0.000 -0.153) 2.333 3.544 ( -2.328 0.000 0.153) 2.333 4.876 ( 7.748 0.000 -2.841) 8.252 4.876 ( 7.748 0.000 2.841) 8.252 5.113 ( -1.125 0.000 -1.138) 1.600 5.113 ( -1.125 0.000 1.138) 1.600 5.402 ( -2.362 0.000 -0.757) 2.480 5.402 ( -2.362 0.000 0.757) 2.480 5.538 ( -7.172 0.000 -1.148) 7.264 5.538 ( -7.172 0.000 1.148) 7.264 5.942 ( -1.042 0.000 -0.892) 1.372 5.942 ( -1.042 0.000 0.892) 1.372 6.137 ( 1.270 0.000 -0.042) 1.270 6.137 ( 1.270 0.000 0.042) 1.270 6.517 ( 5.497 0.000 -3.878) 6.728 6.517 ( 5.497 0.000 3.878) 6.728 6.954 ( 4.899 0.000 -1.087) 5.018 6.954 ( 4.899 0.000 1.087) 5.018 7.416 ( 3.899 0.000 -0.224) 3.905 7.416 ( 3.899 0.000 0.224) 3.905 7.558 ( -2.779 0.000 -0.726) 2.872 7.558 ( -2.779 0.000 0.726) 2.872 7.570 ( -2.956 0.000 -0.977) 3.113 7.570 ( -2.956 0.000 0.977) 3.113 7.895 ( 4.287 0.000 -2.336) 4.882 7.895 ( 4.287 0.000 2.336) 4.882 8.555 ( 6.348 0.000 -7.548) 9.862 8.555 ( 6.348 0.000 7.548) 9.862 8.812 ( -3.967 0.000 -2.107) 4.492 8.812 ( -3.967 0.000 2.107) 4.492 9.111 ( -3.480 0.000 -5.273) 6.318 9.111 ( -3.480 0.000 5.273) 6.318 9.311 ( -4.286 0.000 -2.137) 4.789 9.311 ( -4.286 0.000 2.137) 4.789 9.873 ( 0.136 0.000 -1.216) 1.223 9.873 ( 0.136 0.000 1.216) 1.223 9.966 ( 0.512 0.000 -1.031) 1.151 9.966 ( 0.512 0.000 1.031) 1.151 ======================= Grid point 188 (60/84) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 0.000 0.000 0.000) 0.000 0.734 ( 0.000 0.000 0.000) 0.000 0.859 ( -0.000 0.000 -0.000) 0.000 0.859 ( 0.000 0.000 0.000) 0.000 0.977 ( 0.000 0.000 0.000) 0.000 0.977 ( -0.000 0.000 0.000) 0.000 1.063 ( -0.000 0.000 0.000) 0.000 1.063 ( 0.000 0.000 0.000) 0.000 1.367 ( 0.000 0.000 -0.000) 0.000 1.367 ( 0.000 0.000 0.000) 0.000 1.475 ( 0.000 0.000 -0.000) 0.000 1.475 ( 0.000 0.000 0.000) 0.000 1.478 ( 0.000 0.000 0.000) 0.000 1.478 ( 0.000 0.000 0.000) 0.000 1.713 ( 0.000 0.000 0.000) 0.000 1.713 ( 0.000 0.000 0.000) 0.000 1.992 ( 0.000 0.000 -0.000) 0.000 1.992 ( 0.000 0.000 0.000) 0.000 1.994 ( -0.000 0.000 -0.000) 0.000 1.994 ( -0.000 0.000 0.000) 0.000 2.678 ( 0.000 0.000 0.000) 0.000 2.678 ( 0.000 0.000 0.000) 0.000 3.519 ( 0.000 0.000 0.000) 0.000 3.519 ( 0.000 0.000 0.000) 0.000 4.968 ( -0.000 0.000 0.000) 0.000 4.968 ( 0.000 0.000 0.000) 0.000 5.103 ( 0.000 0.000 0.000) 0.000 5.103 ( 0.000 0.000 0.000) 0.000 5.378 ( 0.000 0.000 0.000) 0.000 5.378 ( 0.000 0.000 0.000) 0.000 5.452 ( 0.000 0.000 0.000) 0.000 5.452 ( 0.000 0.000 0.000) 0.000 5.933 ( 0.000 0.000 0.000) 0.000 5.933 ( 0.000 0.000 0.000) 0.000 6.149 ( 0.000 0.000 0.000) 0.000 6.149 ( 0.000 0.000 0.000) 0.000 6.564 ( 0.000 0.000 0.000) 0.000 6.564 ( 0.000 0.000 0.000) 0.000 7.000 ( 0.000 0.000 -0.000) 0.000 7.000 ( 0.000 0.000 0.000) 0.000 7.479 ( -0.000 0.000 0.000) 0.000 7.479 ( 0.000 0.000 0.000) 0.000 7.507 ( -0.000 0.000 0.000) 0.000 7.507 ( 0.000 0.000 0.000) 0.000 7.539 ( 0.000 0.000 0.000) 0.000 7.539 ( 0.000 0.000 0.000) 0.000 7.940 ( 0.000 0.000 0.000) 0.000 7.940 ( 0.000 0.000 0.000) 0.000 8.660 ( -0.000 0.000 -0.000) 0.000 8.660 ( -0.000 0.000 0.000) 0.000 8.732 ( 0.000 0.000 -0.000) 0.000 8.732 ( 0.000 0.000 0.000) 0.000 9.073 ( 0.000 0.000 -0.000) 0.000 9.073 ( 0.000 0.000 0.000) 0.000 9.271 ( 0.000 0.000 0.000) 0.000 9.271 ( 0.000 0.000 0.000) 0.000 9.874 ( 0.000 0.000 -0.000) 0.000 9.874 ( 0.000 0.000 0.000) 0.000 9.971 ( 0.000 0.000 0.000) 0.000 9.971 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 196 (61/84) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( 0.000 5.379 -3.267) 6.294 0.487 ( 0.000 5.379 3.267) 6.294 0.764 ( 0.000 11.110 -2.835) 11.466 0.764 ( 0.000 11.110 2.835) 11.466 1.024 ( 0.000 6.123 -8.523) 10.495 1.024 ( 0.000 6.123 8.523) 10.495 1.224 ( 0.000 1.099 -0.267) 1.131 1.224 ( 0.000 1.099 0.267) 1.131 1.282 ( 0.000 6.297 -0.509) 6.318 1.282 ( 0.000 6.297 0.509) 6.318 1.406 ( 0.000 2.268 -4.409) 4.958 1.406 ( 0.000 2.268 4.409) 4.958 1.599 ( 0.000 9.343 -5.034) 10.613 1.599 ( 0.000 9.343 5.034) 10.613 1.781 ( 0.000 -2.022 -3.254) 3.831 1.781 ( 0.000 -2.022 3.254) 3.831 1.891 ( 0.000 10.037 -0.588) 10.054 1.891 ( 0.000 10.037 0.588) 10.054 2.162 ( 0.000 4.869 -2.208) 5.346 2.162 ( 0.000 4.869 2.208) 5.346 2.734 ( 0.000 3.519 -3.879) 5.237 2.734 ( 0.000 3.519 3.879) 5.237 3.601 ( 0.000 -1.050 -0.535) 1.178 3.601 ( 0.000 -1.050 0.535) 1.178 4.952 ( 0.000 0.897 -2.048) 2.235 4.952 ( 0.000 0.897 2.048) 2.235 5.447 ( 0.000 -1.753 -0.357) 1.789 5.447 ( 0.000 -1.753 0.357) 1.789 5.772 ( 0.000 38.540 -19.748) 43.305 5.772 ( 0.000 38.540 19.748) 43.305 5.809 ( 0.000 9.715 -4.938) 10.898 5.809 ( 0.000 9.715 4.938) 10.898 6.067 ( 0.000 5.504 -2.714) 6.137 6.067 ( 0.000 5.504 2.714) 6.137 6.166 ( 0.000 7.909 -6.812) 10.438 6.166 ( 0.000 7.909 6.812) 10.438 6.236 ( 0.000 17.179 -1.858) 17.279 6.236 ( 0.000 17.179 1.858) 17.279 6.811 ( 0.000 3.944 -1.427) 4.194 6.811 ( 0.000 3.944 1.427) 4.194 7.338 ( 0.000 0.985 -0.695) 1.206 7.338 ( 0.000 0.985 0.695) 1.206 7.501 ( 0.000 -8.156 -2.097) 8.421 7.501 ( 0.000 -8.156 2.097) 8.421 7.664 ( 0.000 0.281 -0.696) 0.750 7.664 ( 0.000 0.281 0.696) 0.750 7.805 ( 0.000 1.612 -5.069) 5.319 7.805 ( 0.000 1.612 5.069) 5.319 8.455 ( 0.000 2.224 -8.314) 8.606 8.455 ( 0.000 2.224 8.314) 8.606 8.873 ( 0.000 -0.672 -5.589) 5.629 8.873 ( 0.000 -0.672 5.589) 5.629 9.150 ( 0.000 -3.663 -7.688) 8.516 9.150 ( 0.000 -3.663 7.688) 8.516 9.370 ( 0.000 -10.515 -0.629) 10.534 9.370 ( 0.000 -10.515 0.629) 10.534 9.845 ( 0.000 -1.996 -0.921) 2.198 9.845 ( 0.000 -1.996 0.921) 2.198 9.914 ( 0.000 -2.081 -0.733) 2.206 9.914 ( 0.000 -2.081 0.733) 2.206 ======================= Grid point 198 (62/84) ======================= q-point: ( 0.17 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 0.659 4.337 -6.977) 8.241 0.476 ( 0.659 4.337 6.977) 8.241 0.809 ( 4.596 7.531 -6.786) 11.131 0.809 ( 4.596 7.531 6.786) 11.131 1.062 ( 2.163 6.874 -2.416) 7.600 1.062 ( 2.163 6.874 2.416) 7.600 1.226 ( -0.076 2.478 -1.392) 2.843 1.226 ( -0.076 2.478 1.392) 2.843 1.280 ( 0.633 6.076 -1.046) 6.198 1.280 ( 0.633 6.076 1.046) 6.198 1.405 ( -0.361 0.196 -3.471) 3.495 1.405 ( -0.361 0.196 3.471) 3.495 1.611 ( 0.423 7.015 -4.748) 8.481 1.611 ( 0.423 7.015 4.748) 8.481 1.774 ( 0.677 2.808 -1.439) 3.227 1.774 ( 0.677 2.808 1.439) 3.227 1.909 ( 1.388 11.501 -1.437) 11.673 1.909 ( 1.388 11.501 1.437) 11.673 2.181 ( 1.566 2.956 -3.196) 4.627 2.181 ( 1.566 2.956 3.196) 4.627 2.732 ( -0.189 4.494 -3.850) 5.920 2.732 ( -0.189 4.494 3.850) 5.920 3.580 ( -2.037 -0.910 -0.184) 2.238 3.580 ( -2.037 -0.910 0.184) 2.238 4.961 ( 1.121 1.246 -2.143) 2.721 4.961 ( 1.121 1.246 2.143) 2.721 5.404 ( -4.809 -1.618 -1.747) 5.367 5.404 ( -4.809 -1.618 1.747) 5.367 5.542 ( -12.777 33.637 -5.675) 36.427 5.542 ( -12.777 33.637 5.675) 36.427 5.781 ( -2.737 8.434 -2.526) 9.220 5.781 ( -2.737 8.434 2.526) 9.220 6.052 ( -2.253 6.702 -0.290) 7.077 6.052 ( -2.253 6.702 0.290) 7.077 6.232 ( 1.873 12.206 -0.998) 12.389 6.232 ( 1.873 12.206 0.998) 12.389 6.387 ( 11.030 6.775 -6.317) 14.403 6.387 ( 11.030 6.775 6.317) 14.403 6.878 ( 6.317 5.276 -1.398) 8.349 6.878 ( 6.317 5.276 1.398) 8.349 7.349 ( 1.214 -0.625 -0.896) 1.633 7.349 ( 1.214 -0.625 0.896) 1.633 7.504 ( 0.071 -6.664 -1.670) 6.871 7.504 ( 0.071 -6.664 1.670) 6.871 7.624 ( -3.600 -0.671 -0.651) 3.720 7.624 ( -3.600 -0.671 0.651) 3.720 7.853 ( 4.456 2.675 -4.526) 6.891 7.853 ( 4.456 2.675 4.526) 6.891 8.486 ( 3.198 1.933 -8.282) 9.086 8.486 ( 3.198 1.933 8.282) 9.086 8.854 ( -2.013 -0.967 -4.745) 5.245 8.854 ( -2.013 -0.967 4.745) 5.245 9.133 ( -1.857 -3.405 -7.282) 8.251 9.133 ( -1.857 -3.405 7.282) 8.251 9.324 ( -4.129 -8.308 -2.141) 9.521 9.324 ( -4.129 -8.308 2.141) 9.521 9.846 ( 0.186 -2.033 -1.345) 2.445 9.846 ( 0.186 -2.033 1.345) 2.445 9.923 ( 0.747 -2.479 -0.768) 2.700 9.923 ( 0.747 -2.479 0.768) 2.700 ======================= Grid point 200 (63/84) ======================= q-point: ( 0.33 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 7.707 1.318 -6.510) 10.174 0.559 ( 7.707 1.318 6.510) 10.174 0.885 ( 1.247 0.614 -6.986) 7.123 0.885 ( 1.247 0.614 6.986) 7.123 1.072 ( 0.351 9.241 -3.244) 9.800 1.072 ( 0.351 9.241 3.244) 9.800 1.207 ( -1.841 3.942 -1.854) 4.729 1.207 ( -1.841 3.942 1.854) 4.729 1.327 ( 3.370 5.655 -1.029) 6.663 1.327 ( 3.370 5.655 1.029) 6.663 1.387 ( -1.358 -2.974 -2.441) 4.080 1.387 ( -1.358 -2.974 2.441) 4.080 1.596 ( -1.267 5.154 -1.870) 5.628 1.596 ( -1.267 5.154 1.870) 5.628 1.820 ( 2.357 6.240 -2.438) 7.102 1.820 ( 2.357 6.240 2.438) 7.102 1.946 ( 3.438 12.157 -1.500) 12.723 1.946 ( 3.438 12.157 1.500) 12.723 2.195 ( -0.635 5.592 -3.388) 6.569 2.195 ( -0.635 5.592 3.388) 6.569 2.729 ( -0.085 5.473 -3.009) 6.246 2.729 ( -0.085 5.473 3.009) 6.246 3.537 ( -2.178 -0.601 -0.304) 2.280 3.537 ( -2.178 -0.601 0.304) 2.280 5.000 ( 2.945 0.743 -2.193) 3.746 5.000 ( 2.945 0.743 2.193) 3.746 5.297 ( -4.693 2.058 -1.691) 5.396 5.297 ( -4.693 2.058 1.691) 5.396 5.395 ( -4.915 21.523 -1.876) 22.156 5.395 ( -4.915 21.523 1.876) 22.156 5.718 ( -3.391 10.543 -0.811) 11.105 5.718 ( -3.391 10.543 0.811) 11.105 6.017 ( -1.269 7.261 -0.393) 7.381 6.017 ( -1.269 7.261 0.393) 7.381 6.255 ( 0.740 10.593 -0.267) 10.622 6.255 ( 0.740 10.593 0.267) 10.622 6.521 ( 4.089 1.944 -2.610) 5.226 6.521 ( 4.089 1.944 2.610) 5.226 6.988 ( 4.253 4.101 -2.436) 6.391 6.988 ( 4.253 4.101 2.436) 6.391 7.382 ( 2.073 -4.238 -0.944) 4.812 7.382 ( 2.073 -4.238 0.944) 4.812 7.495 ( -1.201 -3.404 -0.978) 3.740 7.495 ( -1.201 -3.404 0.978) 3.740 7.555 ( -3.057 -1.363 -0.168) 3.351 7.555 ( -3.057 -1.363 0.168) 3.351 7.942 ( 4.245 3.323 -2.214) 5.828 7.942 ( 4.245 3.323 2.214) 5.828 8.571 ( 5.795 1.169 -7.004) 9.165 8.571 ( 5.795 1.169 7.004) 9.165 8.798 ( -4.059 -1.329 -2.034) 4.730 8.798 ( -4.059 -1.329 2.034) 4.730 9.084 ( -2.902 -2.690 -4.835) 6.248 9.084 ( -2.902 -2.690 4.835) 6.248 9.252 ( -2.902 -5.300 -1.836) 6.315 9.252 ( -2.902 -5.300 1.836) 6.315 9.850 ( 0.172 -2.034 -1.164) 2.350 9.850 ( 0.172 -2.034 1.164) 2.350 9.934 ( 0.354 -2.901 -0.890) 3.055 9.934 ( 0.354 -2.901 0.890) 3.055 ======================= Grid point 202 (64/84) ======================= q-point: (-0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 0.000 -1.110 0.000) 1.110 0.675 ( 0.000 -1.110 0.000) 1.110 0.852 ( -0.000 1.082 0.000) 1.082 0.852 ( 0.000 1.082 0.000) 1.082 1.099 ( 0.000 7.732 -0.000) 7.732 1.099 ( 0.000 7.732 0.000) 7.732 1.176 ( 0.000 4.443 -0.000) 4.443 1.176 ( 0.000 4.443 0.000) 4.443 1.363 ( 0.000 -2.473 -0.000) 2.473 1.363 ( 0.000 -2.473 0.000) 2.473 1.372 ( -0.000 4.195 0.000) 4.195 1.372 ( 0.000 4.195 0.000) 4.195 1.584 ( 0.000 6.075 0.000) 6.075 1.584 ( 0.000 6.075 0.000) 6.075 1.835 ( 0.000 8.443 0.000) 8.443 1.835 ( 0.000 8.443 0.000) 8.443 2.004 ( 0.000 2.651 0.000) 2.651 2.004 ( 0.000 2.651 0.000) 2.651 2.174 ( 0.000 14.543 0.000) 14.543 2.174 ( 0.000 14.543 0.000) 14.543 2.729 ( 0.000 5.306 0.000) 5.306 2.729 ( 0.000 5.306 0.000) 5.306 3.514 ( 0.000 -0.436 0.000) 0.436 3.514 ( 0.000 -0.436 0.000) 0.436 5.039 ( 0.000 0.058 0.000) 0.058 5.039 ( 0.000 0.058 0.000) 0.058 5.254 ( 0.000 -4.474 0.000) 4.474 5.254 ( 0.000 -4.474 0.000) 4.474 5.342 ( 0.000 24.249 0.000) 24.249 5.342 ( 0.000 24.249 0.000) 24.249 5.682 ( 0.000 11.904 0.000) 11.904 5.682 ( 0.000 11.904 0.000) 11.904 6.005 ( 0.000 7.257 0.000) 7.257 6.005 ( 0.000 7.257 0.000) 7.257 6.262 ( 0.000 9.898 0.000) 9.898 6.262 ( 0.000 9.898 0.000) 9.898 6.558 ( 0.000 1.457 0.000) 1.457 6.558 ( 0.000 1.457 0.000) 1.457 7.026 ( 0.000 3.154 -0.000) 3.154 7.026 ( 0.000 3.154 0.000) 3.154 7.409 ( 0.000 -7.704 0.000) 7.704 7.409 ( 0.000 -7.704 0.000) 7.704 7.472 ( 0.000 -0.991 0.000) 0.991 7.472 ( 0.000 -0.991 0.000) 0.991 7.527 ( 0.000 -0.649 0.000) 0.649 7.527 ( 0.000 -0.649 0.000) 0.649 7.985 ( 0.000 3.282 0.000) 3.282 7.985 ( 0.000 3.282 0.000) 3.282 8.673 ( -0.000 0.931 -0.000) 0.931 8.673 ( -0.000 0.931 0.000) 0.931 8.716 ( 0.000 -1.559 -0.000) 1.559 8.716 ( 0.000 -1.559 0.000) 1.559 9.053 ( 0.000 -2.295 -0.000) 2.295 9.053 ( 0.000 -2.295 0.000) 2.295 9.224 ( 0.000 -4.251 0.000) 4.251 9.224 ( 0.000 -4.251 0.000) 4.251 9.852 ( 0.000 -1.980 -0.000) 1.980 9.852 ( 0.000 -1.980 0.000) 1.980 9.937 ( 0.000 -3.085 0.000) 3.085 9.937 ( 0.000 -3.085 0.000) 3.085 ======================= Grid point 210 (65/84) ======================= q-point: ( 0.00 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 0.000 12.132 -0.834) 12.161 0.708 ( 0.000 12.132 0.834) 12.161 0.912 ( 0.000 5.611 -1.300) 5.760 0.912 ( 0.000 5.611 1.300) 5.760 1.147 ( 0.000 2.577 -2.616) 3.672 1.147 ( 0.000 2.577 2.616) 3.672 1.305 ( 0.000 3.991 -0.813) 4.073 1.305 ( 0.000 3.991 0.813) 4.073 1.438 ( 0.000 11.234 -1.823) 11.381 1.438 ( 0.000 11.234 1.823) 11.381 1.511 ( 0.000 6.306 -2.516) 6.789 1.511 ( 0.000 6.306 2.516) 6.789 1.706 ( 0.000 2.338 -2.708) 3.578 1.706 ( 0.000 2.338 2.708) 3.578 1.903 ( 0.000 12.938 -5.333) 13.994 1.903 ( 0.000 12.938 5.333) 13.994 2.170 ( 0.000 13.062 -0.594) 13.075 2.170 ( 0.000 13.062 0.594) 13.075 2.362 ( 0.000 14.800 -2.446) 15.001 2.362 ( 0.000 14.800 2.446) 15.001 2.905 ( 0.000 12.698 -2.669) 12.976 2.905 ( 0.000 12.698 2.669) 12.976 3.564 ( 0.000 -2.581 -0.030) 2.581 3.564 ( 0.000 -2.581 0.030) 2.581 4.925 ( 0.000 -1.251 -2.972) 3.224 4.925 ( 0.000 -1.251 2.972) 3.224 5.378 ( 0.000 -4.087 -1.082) 4.228 5.378 ( 0.000 -4.087 1.082) 4.228 5.903 ( 0.000 1.978 -1.044) 2.236 5.903 ( 0.000 1.978 1.044) 2.236 6.193 ( 0.000 9.304 -3.332) 9.883 6.193 ( 0.000 9.304 3.332) 9.883 6.209 ( 0.000 5.844 -3.642) 6.886 6.209 ( 0.000 5.844 3.642) 6.886 6.328 ( 0.000 1.713 -5.845) 6.091 6.328 ( 0.000 1.713 5.845) 6.091 6.689 ( 0.000 24.444 -3.352) 24.673 6.689 ( 0.000 24.444 3.352) 24.673 7.110 ( 0.000 16.613 -12.350) 20.700 7.110 ( 0.000 16.613 12.350) 20.700 7.324 ( 0.000 -7.553 -1.943) 7.799 7.324 ( 0.000 -7.553 1.943) 7.799 7.392 ( 0.000 6.403 -5.357) 8.348 7.392 ( 0.000 6.403 5.357) 8.348 7.671 ( 0.000 0.570 -1.263) 1.386 7.671 ( 0.000 0.570 1.263) 1.386 7.820 ( 0.000 0.530 -4.662) 4.692 7.820 ( 0.000 0.530 4.662) 4.692 8.500 ( 0.000 1.674 -7.206) 7.398 8.500 ( 0.000 1.674 7.206) 7.398 8.834 ( 0.000 -3.887 -5.836) 7.012 8.834 ( 0.000 -3.887 5.836) 7.012 9.041 ( 0.000 -6.909 -7.632) 10.295 9.041 ( 0.000 -6.909 7.632) 10.295 9.157 ( 0.000 -8.106 -2.014) 8.352 9.157 ( 0.000 -8.106 2.014) 8.352 9.796 ( 0.000 -2.321 -0.317) 2.343 9.796 ( 0.000 -2.321 0.317) 2.343 9.859 ( 0.000 -2.851 -0.442) 2.885 9.859 ( 0.000 -2.851 0.442) 2.885 ======================= Grid point 212 (66/84) ======================= q-point: ( 0.17 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -1.077 13.222 -1.651) 13.368 0.694 ( -1.077 13.222 1.651) 13.368 0.902 ( -0.081 3.580 -4.459) 5.719 0.902 ( -0.081 3.580 4.459) 5.719 1.163 ( 0.904 1.717 -2.769) 3.381 1.163 ( 0.904 1.717 2.769) 3.381 1.313 ( -0.583 1.485 -0.785) 1.778 1.313 ( -0.583 1.485 0.785) 1.778 1.439 ( 0.957 12.049 -1.439) 12.172 1.439 ( 0.957 12.049 1.439) 12.172 1.503 ( -0.529 8.197 -2.114) 8.482 1.503 ( -0.529 8.197 2.114) 8.482 1.714 ( 0.734 3.775 -2.810) 4.763 1.714 ( 0.734 3.775 2.810) 4.763 1.918 ( 1.332 10.628 -4.712) 11.702 1.918 ( 1.332 10.628 4.712) 11.702 2.184 ( 0.789 11.261 -0.593) 11.304 2.184 ( 0.789 11.261 0.593) 11.304 2.382 ( 2.642 16.616 -2.948) 17.081 2.382 ( 2.642 16.616 2.948) 17.081 2.910 ( 0.382 12.553 -2.508) 12.806 2.910 ( 0.382 12.553 2.508) 12.806 3.550 ( -1.428 -2.104 -0.274) 2.558 3.550 ( -1.428 -2.104 0.274) 2.558 4.940 ( 1.632 -1.061 -2.833) 3.438 4.940 ( 1.632 -1.061 2.833) 3.438 5.342 ( -3.639 -3.281 -0.791) 4.963 5.342 ( -3.639 -3.281 0.791) 4.963 5.878 ( -2.493 2.046 -0.605) 3.282 5.878 ( -2.493 2.046 0.605) 3.282 6.023 ( -10.595 10.286 -1.584) 14.851 6.023 ( -10.595 10.286 1.584) 14.851 6.246 ( -0.108 10.018 -2.869) 10.421 6.246 ( -0.108 10.018 2.869) 10.421 6.374 ( 2.776 1.214 -3.387) 4.544 6.374 ( 2.776 1.214 3.387) 4.544 6.712 ( 2.263 22.828 -3.270) 23.171 6.712 ( 2.263 22.828 3.270) 23.171 7.126 ( 1.346 13.136 -9.071) 16.020 7.126 ( 1.346 13.136 9.071) 16.020 7.290 ( -2.286 -5.049 -1.814) 5.831 7.290 ( -2.286 -5.049 1.814) 5.831 7.437 ( 3.198 3.656 -3.762) 6.144 7.437 ( 3.198 3.656 3.762) 6.144 7.600 ( -5.282 -1.626 -0.991) 5.615 7.600 ( -5.282 -1.626 0.991) 5.615 7.904 ( 6.381 2.621 -3.773) 7.863 7.904 ( 6.381 2.621 3.773) 7.863 8.522 ( 2.379 1.249 -6.914) 7.418 8.522 ( 2.379 1.249 6.914) 7.418 8.810 ( -2.283 -3.698 -4.813) 6.484 8.810 ( -2.283 -3.698 4.813) 6.484 9.030 ( -1.195 -6.538 -6.760) 9.480 9.030 ( -1.195 -6.538 6.760) 9.480 9.143 ( -1.275 -7.498 -2.221) 7.923 9.143 ( -1.275 -7.498 2.221) 7.923 9.797 ( 0.166 -2.308 -0.904) 2.484 9.797 ( 0.166 -2.308 0.904) 2.484 9.861 ( 0.051 -3.239 -0.500) 3.278 9.861 ( 0.051 -3.239 0.500) 3.278 ======================= Grid point 214 (67/84) ======================= q-point: ( 0.33 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 2.804 11.111 -2.987) 11.842 0.705 ( 2.804 11.111 2.987) 11.842 0.909 ( 0.114 1.805 -4.217) 4.588 0.909 ( 0.114 1.805 4.217) 4.588 1.172 ( 0.347 1.474 -2.410) 2.847 1.172 ( 0.347 1.474 2.410) 2.847 1.255 ( -4.613 0.792 -0.627) 4.722 1.255 ( -4.613 0.792 0.627) 4.722 1.469 ( 0.693 10.030 -1.481) 10.162 1.469 ( 0.693 10.030 1.481) 10.162 1.512 ( 1.955 10.254 -0.794) 10.469 1.512 ( 1.955 10.254 0.794) 10.469 1.732 ( 1.152 7.053 -2.374) 7.530 1.732 ( 1.152 7.053 2.374) 7.530 1.939 ( 0.722 6.023 -2.680) 6.631 1.939 ( 0.722 6.023 2.680) 6.631 2.177 ( -1.266 9.900 -1.014) 10.032 2.177 ( -1.266 9.900 1.014) 10.032 2.461 ( 4.827 17.842 -2.214) 18.616 2.461 ( 4.827 17.842 2.214) 18.616 2.914 ( 0.032 12.437 -1.893) 12.580 2.914 ( 0.032 12.437 1.893) 12.580 3.519 ( -1.536 -1.107 -0.586) 1.982 3.519 ( -1.536 -1.107 0.586) 1.982 4.985 ( 2.988 -0.800 -2.184) 3.787 4.985 ( 2.988 -0.800 2.184) 3.787 5.258 ( -4.764 -1.724 -0.304) 5.075 5.258 ( -4.764 -1.724 0.304) 5.075 5.818 ( -3.886 7.947 -3.383) 9.471 5.818 ( -3.886 7.947 3.383) 9.471 5.863 ( -5.252 6.158 -4.575) 9.297 5.863 ( -5.252 6.158 4.575) 9.297 6.238 ( -0.456 11.982 -2.600) 12.269 6.238 ( -0.456 11.982 2.600) 12.269 6.406 ( 0.864 3.472 -2.352) 4.282 6.406 ( 0.864 3.472 2.352) 4.282 6.759 ( 2.339 20.177 -2.028) 20.413 6.759 ( 2.339 20.177 2.028) 20.413 7.149 ( 0.959 9.336 -3.945) 10.181 7.149 ( 0.959 9.336 3.945) 10.181 7.256 ( -1.266 -6.029 -1.071) 6.252 7.256 ( -1.266 -6.029 1.071) 6.252 7.470 ( -1.079 1.442 -1.319) 2.232 7.470 ( -1.079 1.442 1.319) 2.232 7.527 ( -0.894 -0.523 -1.688) 1.980 7.527 ( -0.894 -0.523 1.688) 1.980 8.009 ( 4.208 3.060 -2.090) 5.607 8.009 ( 4.208 3.060 2.090) 5.607 8.588 ( 4.506 0.202 -5.352) 6.999 8.588 ( 4.506 0.202 5.352) 6.999 8.756 ( -3.417 -2.800 -2.400) 5.027 8.756 ( -3.417 -2.800 2.400) 5.027 8.995 ( -2.292 -5.799 -4.118) 7.473 8.995 ( -2.292 -5.799 4.118) 7.473 9.121 ( -0.902 -6.545 -1.184) 6.713 9.121 ( -0.902 -6.545 1.184) 6.713 9.802 ( 0.288 -2.241 -0.949) 2.450 9.802 ( 0.288 -2.241 0.949) 2.450 9.859 ( -0.227 -3.941 -0.581) 3.990 9.859 ( -0.227 -3.941 0.581) 3.990 ======================= Grid point 216 (68/84) ======================= q-point: (-0.50 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 0.000 7.874 0.000) 7.874 0.754 ( 0.000 7.874 0.000) 7.874 0.900 ( -0.000 2.944 0.000) 2.944 0.900 ( 0.000 2.944 0.000) 2.944 1.185 ( 0.000 2.069 -0.000) 2.069 1.185 ( 0.000 2.069 0.000) 2.069 1.192 ( -0.000 -0.192 -0.000) 0.192 1.192 ( -0.000 -0.192 0.000) 0.192 1.471 ( 0.000 10.847 0.000) 10.847 1.471 ( 0.000 10.847 0.000) 10.847 1.538 ( 0.000 8.641 0.000) 8.641 1.538 ( 0.000 8.641 0.000) 8.641 1.747 ( 0.000 9.236 0.000) 9.236 1.747 ( 0.000 9.236 0.000) 9.236 1.945 ( 0.000 3.274 0.000) 3.274 1.945 ( 0.000 3.274 0.000) 3.274 2.161 ( 0.000 10.436 0.000) 10.436 2.161 ( 0.000 10.436 0.000) 10.436 2.514 ( 0.000 17.344 0.000) 17.344 2.514 ( 0.000 17.344 0.000) 17.344 2.913 ( -0.000 12.582 0.000) 12.582 2.913 ( 0.000 12.582 0.000) 12.582 3.503 ( 0.000 -0.601 0.000) 0.601 3.503 ( 0.000 -0.601 0.000) 0.601 5.025 ( 0.000 -0.788 0.000) 0.788 5.025 ( 0.000 -0.788 0.000) 0.788 5.201 ( 0.000 -1.020 0.000) 1.020 5.201 ( 0.000 -1.020 0.000) 1.020 5.770 ( 0.000 13.281 -0.000) 13.281 5.770 ( 0.000 13.281 0.000) 13.281 5.823 ( 0.000 0.949 -0.000) 0.949 5.823 ( 0.000 0.949 0.000) 0.949 6.233 ( 0.000 12.685 -0.000) 12.685 6.233 ( 0.000 12.685 0.000) 12.685 6.413 ( 0.000 4.498 0.000) 4.498 6.413 ( 0.000 4.498 0.000) 4.498 6.783 ( 0.000 19.273 0.000) 19.273 6.783 ( 0.000 19.273 0.000) 19.273 7.158 ( 0.000 8.849 0.000) 8.849 7.158 ( 0.000 8.849 -0.000) 8.849 7.244 ( 0.000 -7.612 0.000) 7.612 7.244 ( 0.000 -7.612 0.000) 7.612 7.443 ( 0.000 -0.983 0.000) 0.983 7.443 ( 0.000 -0.983 0.000) 0.983 7.532 ( 0.000 2.169 0.000) 2.169 7.532 ( 0.000 2.169 0.000) 2.169 8.049 ( 0.000 2.706 0.000) 2.706 8.049 ( 0.000 2.706 0.000) 2.706 8.670 ( -0.000 -2.778 -0.000) 2.778 8.670 ( -0.000 -2.778 0.000) 2.778 8.689 ( 0.000 0.385 -0.000) 0.385 8.689 ( 0.000 0.385 0.000) 0.385 8.968 ( 0.000 -5.598 -0.000) 5.598 8.968 ( 0.000 -5.598 0.000) 5.598 9.112 ( 0.000 -6.128 0.000) 6.128 9.112 ( 0.000 -6.128 0.000) 6.128 9.805 ( 0.000 -2.107 -0.000) 2.107 9.805 ( 0.000 -2.107 0.000) 2.107 9.856 ( 0.000 -4.356 0.000) 4.356 9.856 ( 0.000 -4.356 0.000) 4.356 ======================= Grid point 224 (69/84) ======================= q-point: ( 0.00 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 0.000 5.287 -4.335) 6.837 0.886 ( 0.000 5.287 4.335) 6.837 1.054 ( 0.000 6.656 -2.084) 6.974 1.054 ( 0.000 6.656 2.084) 6.974 1.199 ( 0.000 3.698 -1.467) 3.978 1.199 ( 0.000 3.698 1.467) 3.978 1.321 ( 0.000 -0.897 -1.514) 1.760 1.321 ( 0.000 -0.897 1.514) 1.760 1.647 ( 0.000 6.560 -0.032) 6.560 1.647 ( 0.000 6.560 0.032) 6.560 1.666 ( 0.000 9.202 -1.506) 9.324 1.666 ( 0.000 9.202 1.506) 9.324 1.822 ( 0.000 8.202 -1.822) 8.402 1.822 ( 0.000 8.202 1.822) 8.402 2.155 ( 0.000 8.878 -4.326) 9.876 2.155 ( 0.000 8.878 4.326) 9.876 2.330 ( 0.000 5.111 -0.270) 5.118 2.330 ( 0.000 5.111 0.270) 5.118 2.781 ( 0.000 22.109 -2.569) 22.258 2.781 ( 0.000 22.109 2.569) 22.258 3.228 ( 0.000 17.499 -1.451) 17.559 3.228 ( 0.000 17.499 1.451) 17.559 3.502 ( 0.000 -2.627 -0.178) 2.633 3.502 ( 0.000 -2.627 0.178) 2.633 4.925 ( 0.000 1.209 -2.503) 2.780 4.925 ( 0.000 1.209 2.503) 2.780 5.293 ( 0.000 -3.897 -0.753) 3.969 5.293 ( 0.000 -3.897 0.753) 3.969 5.881 ( 0.000 -4.672 -2.670) 5.381 5.881 ( 0.000 -4.672 2.670) 5.381 6.158 ( 0.000 -4.073 -2.436) 4.746 6.158 ( 0.000 -4.073 2.436) 4.746 6.385 ( 0.000 4.042 -3.965) 5.663 6.385 ( 0.000 4.042 3.965) 5.663 6.443 ( 0.000 10.957 -4.448) 11.825 6.443 ( 0.000 10.957 4.448) 11.825 7.074 ( 0.000 -2.368 -0.965) 2.557 7.074 ( 0.000 -2.368 0.965) 2.557 7.191 ( 0.000 13.579 -2.402) 13.790 7.191 ( 0.000 13.579 2.402) 13.790 7.300 ( 0.000 0.949 -0.367) 1.017 7.300 ( 0.000 0.949 0.367) 1.017 7.577 ( 0.000 3.292 -5.090) 6.061 7.577 ( 0.000 3.292 5.090) 6.061 7.732 ( 0.000 6.505 -3.227) 7.262 7.732 ( 0.000 6.505 3.227) 7.262 7.887 ( 0.000 8.100 -5.754) 9.935 7.887 ( 0.000 8.100 5.754) 9.935 8.512 ( 0.000 -0.855 -4.845) 4.920 8.512 ( 0.000 -0.855 4.845) 4.920 8.707 ( 0.000 -7.249 -6.406) 9.673 8.707 ( 0.000 -7.249 6.406) 9.673 8.876 ( 0.000 -8.402 -6.566) 10.663 8.876 ( 0.000 -8.402 6.566) 10.663 9.060 ( 0.000 -2.360 -0.690) 2.459 9.060 ( 0.000 -2.360 0.690) 2.459 9.764 ( 0.000 -0.516 -0.015) 0.517 9.764 ( 0.000 -0.516 0.015) 0.517 9.814 ( 0.000 -1.023 -0.178) 1.039 9.814 ( 0.000 -1.023 0.178) 1.039 ======================= Grid point 226 (70/84) ======================= q-point: ( 0.17 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 0.881 5.234 -3.761) 6.505 0.895 ( 0.881 5.234 3.761) 6.505 1.020 ( -2.940 7.388 -1.801) 8.153 1.020 ( -2.940 7.388 1.801) 8.153 1.200 ( 0.056 2.719 -1.078) 2.926 1.200 ( 0.056 2.719 1.078) 2.926 1.317 ( -0.569 0.089 -1.066) 1.212 1.317 ( -0.569 0.089 1.066) 1.212 1.641 ( 0.018 7.556 -0.524) 7.574 1.641 ( 0.018 7.556 0.524) 7.574 1.706 ( 2.735 8.992 -1.064) 9.458 1.706 ( 2.735 8.992 1.064) 9.458 1.822 ( 0.497 7.048 -2.104) 7.372 1.822 ( 0.497 7.048 2.104) 7.372 2.136 ( -2.067 8.367 -3.741) 9.396 2.136 ( -2.067 8.367 3.741) 9.396 2.336 ( 0.569 5.241 -0.291) 5.280 2.336 ( 0.569 5.241 0.291) 5.280 2.800 ( 1.851 20.515 -2.101) 20.705 2.800 ( 1.851 20.515 2.101) 20.705 3.226 ( -0.145 17.166 -1.379) 17.222 3.226 ( -0.145 17.166 1.379) 17.222 3.503 ( 0.088 -1.507 -0.280) 1.536 3.503 ( 0.088 -1.507 0.280) 1.536 4.941 ( 1.687 1.139 -2.345) 3.106 4.941 ( 1.687 1.139 2.345) 3.106 5.277 ( -1.685 -2.908 -0.607) 3.416 5.277 ( -1.685 -2.908 0.607) 3.416 5.843 ( -3.417 -5.053 -4.283) 7.453 5.843 ( -3.417 -5.053 4.283) 7.453 6.103 ( -5.491 -0.426 -1.686) 5.760 6.103 ( -5.491 -0.426 1.686) 5.760 6.384 ( 0.884 4.429 -3.403) 5.655 6.384 ( 0.884 4.429 3.403) 5.655 6.476 ( 2.378 8.554 -3.966) 9.724 6.476 ( 2.378 8.554 3.966) 9.724 7.075 ( 0.196 -2.929 -0.925) 3.077 7.075 ( 0.196 -2.929 0.925) 3.077 7.189 ( -0.103 13.762 -2.312) 13.955 7.189 ( -0.103 13.762 2.312) 13.955 7.294 ( -0.667 1.158 -0.350) 1.381 7.294 ( -0.667 1.158 0.350) 1.381 7.545 ( -4.209 -1.738 -1.511) 4.798 7.545 ( -4.209 -1.738 1.511) 4.798 7.688 ( -0.681 13.758 -5.384) 14.789 7.688 ( -0.681 13.758 5.384) 14.789 7.978 ( 6.165 4.941 -3.697) 8.723 7.978 ( 6.165 4.941 3.697) 8.723 8.528 ( 1.724 -0.964 -4.140) 4.587 8.528 ( 1.724 -0.964 4.140) 4.587 8.697 ( -1.016 -6.548 -5.449) 8.579 8.697 ( -1.016 -6.548 5.449) 8.579 8.874 ( -0.177 -7.936 -6.303) 10.136 8.874 ( -0.177 -7.936 6.303) 10.136 9.044 ( -1.638 -2.730 -2.214) 3.879 9.044 ( -1.638 -2.730 2.214) 3.879 9.766 ( 0.198 -0.460 -0.352) 0.612 9.766 ( 0.198 -0.460 0.352) 0.612 9.808 ( -0.554 -1.260 -0.115) 1.382 9.808 ( -0.554 -1.260 0.115) 1.382 ======================= Grid point 228 (71/84) ======================= q-point: ( 0.33 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 1.247 5.976 -2.122) 6.463 0.915 ( 1.247 5.976 2.122) 6.463 0.972 ( -1.800 5.723 -1.484) 6.180 0.972 ( -1.800 5.723 1.484) 6.180 1.203 ( 0.403 2.333 -0.837) 2.511 1.203 ( 0.403 2.333 0.837) 2.511 1.291 ( -2.277 2.786 -0.192) 3.604 1.291 ( -2.277 2.786 0.192) 3.604 1.654 ( 1.430 7.152 -1.206) 7.392 1.654 ( 1.430 7.152 1.206) 7.392 1.725 ( -0.893 9.133 -1.092) 9.241 1.725 ( -0.893 9.133 1.092) 9.241 1.869 ( 4.427 6.433 -2.428) 8.178 1.869 ( 4.427 6.433 2.428) 8.178 2.079 ( -3.888 6.647 -2.521) 8.103 2.079 ( -3.888 6.647 2.521) 8.103 2.348 ( 0.597 6.506 -0.592) 6.560 2.348 ( 0.597 6.506 0.592) 6.560 2.836 ( 1.627 16.386 -0.869) 16.490 2.836 ( 1.627 16.386 0.869) 16.490 3.226 ( 0.180 17.067 -1.105) 17.103 3.226 ( 0.180 17.067 1.105) 17.103 3.503 ( -0.054 0.521 -0.354) 0.633 3.503 ( -0.054 0.521 0.354) 0.633 4.984 ( 2.645 0.684 -1.689) 3.212 4.984 ( 2.645 0.684 1.689) 3.212 5.234 ( -2.684 -0.716 -0.161) 2.782 5.234 ( -2.684 -0.716 0.161) 2.782 5.782 ( -2.562 -5.412 -4.302) 7.373 5.782 ( -2.562 -5.412 4.302) 7.373 5.990 ( -5.470 3.167 -1.759) 6.561 5.990 ( -5.470 3.167 1.759) 6.561 6.410 ( 1.343 5.065 -2.030) 5.619 6.410 ( 1.343 5.065 2.030) 5.619 6.513 ( 1.437 6.939 -2.982) 7.688 6.513 ( 1.437 6.939 2.982) 7.688 7.080 ( 0.208 -3.696 -0.646) 3.758 7.080 ( 0.208 -3.696 0.646) 3.758 7.193 ( 0.578 14.038 -1.661) 14.148 7.193 ( 0.578 14.038 1.661) 14.148 7.276 ( -1.201 1.373 -0.009) 1.824 7.276 ( -1.201 1.373 0.009) 1.824 7.455 ( -4.181 -2.718 -0.652) 5.029 7.455 ( -4.181 -2.718 0.652) 5.029 7.711 ( 1.886 15.580 -3.953) 16.183 7.711 ( 1.886 15.580 3.953) 16.183 8.065 ( 2.909 2.301 -2.566) 4.510 8.065 ( 2.909 2.301 2.566) 4.510 8.573 ( 2.738 -1.813 -2.366) 4.047 8.573 ( 2.738 -1.813 2.366) 4.047 8.675 ( -1.098 -5.121 -3.187) 6.131 8.675 ( -1.098 -5.121 3.187) 6.131 8.870 ( -0.280 -5.565 -4.968) 7.465 8.870 ( -0.280 -5.565 4.968) 7.465 9.006 ( -2.014 -4.261 -2.691) 5.427 9.006 ( -2.014 -4.261 2.691) 5.427 9.771 ( 0.348 -0.622 -0.438) 0.836 9.771 ( 0.348 -0.622 0.438) 0.836 9.795 ( -0.815 -1.452 -0.065) 1.667 9.795 ( -0.815 -1.452 0.065) 1.667 ======================= Grid point 230 (72/84) ======================= q-point: (-0.50 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -0.000 8.018 0.000) 8.018 0.933 ( 0.000 8.018 0.000) 8.018 0.953 ( 0.000 2.084 0.000) 2.084 0.953 ( 0.000 2.084 0.000) 2.084 1.212 ( 0.000 2.353 0.000) 2.353 1.212 ( 0.000 2.353 0.000) 2.353 1.257 ( 0.000 4.914 0.000) 4.914 1.257 ( 0.000 4.914 0.000) 4.914 1.683 ( 0.000 5.338 0.000) 5.338 1.683 ( 0.000 5.338 0.000) 5.338 1.699 ( -0.000 9.865 -0.000) 9.865 1.699 ( 0.000 9.865 0.000) 9.865 1.938 ( -0.000 8.647 0.000) 8.647 1.938 ( 0.000 8.647 0.000) 8.647 2.018 ( 0.000 3.968 0.000) 3.968 2.018 ( 0.000 3.968 0.000) 3.968 2.354 ( 0.000 7.461 0.000) 7.461 2.354 ( 0.000 7.461 0.000) 7.461 2.852 ( 0.000 13.976 0.000) 13.976 2.852 ( 0.000 13.976 0.000) 13.976 3.230 ( -0.000 17.244 0.000) 17.244 3.230 ( 0.000 17.244 0.000) 17.244 3.502 ( 0.000 1.442 0.000) 1.442 3.502 ( 0.000 1.442 0.000) 1.442 5.016 ( 0.000 0.036 0.000) 0.036 5.016 ( 0.000 0.036 0.000) 0.036 5.200 ( 0.000 0.707 0.000) 0.707 5.200 ( 0.000 0.707 0.000) 0.707 5.758 ( 0.000 -5.449 0.000) 5.449 5.758 ( 0.000 -5.449 0.000) 5.449 5.934 ( 0.000 4.142 -0.000) 4.142 5.934 ( 0.000 4.142 -0.000) 4.142 6.423 ( 0.000 5.793 -0.000) 5.793 6.423 ( 0.000 5.793 0.000) 5.793 6.527 ( 0.000 6.357 -0.000) 6.357 6.527 ( 0.000 6.357 0.000) 6.357 7.082 ( 0.000 -3.867 0.000) 3.867 7.082 ( 0.000 -3.867 0.000) 3.867 7.203 ( 0.000 14.935 0.000) 14.935 7.203 ( 0.000 14.935 0.000) 14.935 7.259 ( 0.000 0.553 0.000) 0.553 7.259 ( 0.000 0.553 0.000) 0.553 7.414 ( 0.000 -2.744 0.000) 2.744 7.414 ( 0.000 -2.744 0.000) 2.744 7.731 ( 0.000 15.883 -0.000) 15.883 7.731 ( 0.000 15.883 0.000) 15.883 8.090 ( 0.000 1.142 0.000) 1.142 8.090 ( 0.000 1.142 0.000) 1.142 8.605 ( 0.000 -3.325 0.000) 3.325 8.605 ( -0.000 -3.325 0.000) 3.325 8.663 ( 0.000 -3.809 -0.000) 3.809 8.663 ( 0.000 -3.809 0.000) 3.809 8.866 ( 0.000 -2.884 -0.000) 2.884 8.866 ( 0.000 -2.884 0.000) 2.884 8.985 ( 0.000 -6.031 -0.000) 6.031 8.985 ( 0.000 -6.031 0.000) 6.031 9.780 ( 0.000 -2.311 -0.000) 2.311 9.780 ( 0.000 -2.311 0.000) 2.311 9.781 ( -0.000 0.060 -0.000) 0.060 9.781 ( -0.000 0.060 0.000) 0.060 ======================= Grid point 238 (73/84) ======================= q-point: ( 0.00 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 0.000 4.007 -2.398) 4.670 0.976 ( 0.000 4.007 2.398) 4.670 1.137 ( 0.000 2.189 -1.575) 2.696 1.137 ( 0.000 2.189 1.575) 2.696 1.264 ( 0.000 1.837 -0.643) 1.946 1.264 ( 0.000 1.837 0.643) 1.946 1.359 ( 0.000 4.798 -0.156) 4.800 1.359 ( 0.000 4.798 0.156) 4.800 1.740 ( 0.000 1.910 -0.596) 2.001 1.740 ( 0.000 1.910 0.596) 2.001 1.848 ( 0.000 8.502 -1.363) 8.610 1.848 ( 0.000 8.502 1.363) 8.610 1.981 ( 0.000 6.073 -0.967) 6.149 1.981 ( 0.000 6.073 0.967) 6.149 2.175 ( 0.000 -5.262 -0.694) 5.307 2.175 ( 0.000 -5.262 0.694) 5.307 2.492 ( 0.000 9.373 -3.223) 9.911 2.492 ( 0.000 9.373 3.223) 9.911 3.089 ( 0.000 3.625 -1.055) 3.775 3.089 ( 0.000 3.625 1.055) 3.775 3.565 ( 0.000 11.951 -1.505) 12.045 3.565 ( 0.000 11.951 1.505) 12.045 3.590 ( 0.000 16.590 -0.889) 16.614 3.590 ( 0.000 16.590 0.889) 16.614 4.968 ( 0.000 2.727 -1.568) 3.145 4.968 ( 0.000 2.727 1.568) 3.145 5.224 ( 0.000 -2.600 -0.603) 2.668 5.224 ( 0.000 -2.600 0.603) 2.668 5.726 ( 0.000 -8.849 -1.864) 9.043 5.726 ( 0.000 -8.849 1.864) 9.043 6.107 ( 0.000 -1.302 -0.161) 1.312 6.107 ( 0.000 -1.302 0.161) 1.312 6.461 ( 0.000 3.224 -2.197) 3.901 6.461 ( 0.000 3.224 2.197) 3.901 6.638 ( 0.000 7.563 -6.473) 9.955 6.638 ( 0.000 7.563 6.473) 9.955 6.951 ( 0.000 -4.994 -1.198) 5.136 6.951 ( 0.000 -4.994 1.198) 5.136 7.285 ( 0.000 -2.728 -0.550) 2.783 7.285 ( 0.000 -2.728 0.550) 2.783 7.454 ( 0.000 8.141 -2.060) 8.398 7.454 ( 0.000 8.141 2.060) 8.398 7.584 ( 0.000 0.103 -0.398) 0.411 7.584 ( 0.000 0.103 0.398) 0.411 7.870 ( 0.000 7.205 -1.099) 7.288 7.870 ( 0.000 7.205 1.099) 7.288 8.100 ( 0.000 9.436 -4.793) 10.583 8.100 ( 0.000 9.436 4.793) 10.583 8.454 ( 0.000 -4.348 -1.349) 4.553 8.454 ( 0.000 -4.348 1.349) 4.553 8.569 ( 0.000 -6.689 -5.482) 8.649 8.569 ( 0.000 -6.689 5.482) 8.649 8.728 ( 0.000 -4.720 -4.320) 6.398 8.728 ( 0.000 -4.720 4.320) 6.398 9.014 ( 0.000 -2.667 -2.600) 3.725 9.014 ( 0.000 -2.667 2.600) 3.725 9.775 ( 0.000 1.610 -1.022) 1.907 9.775 ( 0.000 1.610 1.022) 1.907 9.834 ( 0.000 2.850 -0.898) 2.988 9.834 ( 0.000 2.850 0.898) 2.988 ======================= Grid point 240 (74/84) ======================= q-point: ( 0.17 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 0.360 3.761 -2.167) 4.356 0.979 ( 0.360 3.761 2.167) 4.356 1.120 ( -1.736 2.611 -1.466) 3.461 1.120 ( -1.736 2.611 1.466) 3.461 1.266 ( 0.322 3.017 -0.857) 3.153 1.266 ( 0.322 3.017 0.857) 3.153 1.362 ( 0.286 4.214 -0.288) 4.233 1.362 ( 0.286 4.214 0.288) 4.233 1.744 ( 0.277 1.831 -0.794) 2.015 1.744 ( 0.277 1.831 0.794) 2.015 1.868 ( 1.478 7.236 -0.910) 7.441 1.868 ( 1.478 7.236 0.910) 7.441 1.964 ( -0.796 5.262 -0.972) 5.410 1.964 ( -0.796 5.262 0.972) 5.410 2.188 ( 0.735 -2.580 -1.085) 2.894 2.188 ( 0.735 -2.580 1.085) 2.894 2.477 ( -1.240 8.294 -2.528) 8.759 2.477 ( -1.240 8.294 2.528) 8.759 3.073 ( -1.622 2.991 -0.991) 3.544 3.073 ( -1.622 2.991 0.991) 3.544 3.574 ( 0.876 14.264 -1.647) 14.385 3.574 ( 0.876 14.264 1.647) 14.385 3.597 ( 0.744 14.234 -0.442) 14.260 3.597 ( 0.744 14.234 0.442) 14.260 4.981 ( 1.265 2.478 -1.528) 3.175 4.981 ( 1.265 2.478 1.528) 3.175 5.225 ( -0.030 -2.123 -0.506) 2.182 5.225 ( -0.030 -2.123 0.506) 2.182 5.704 ( -2.029 -7.264 -5.164) 9.141 5.704 ( -2.029 -7.264 5.164) 9.141 6.079 ( -2.997 -1.394 -0.977) 3.447 6.079 ( -2.997 -1.394 0.977) 3.447 6.470 ( 1.111 3.712 -2.707) 4.727 6.470 ( 1.111 3.712 2.707) 4.727 6.644 ( 0.477 6.907 -6.004) 9.164 6.644 ( 0.477 6.907 6.004) 9.164 6.953 ( 0.361 -5.098 -0.731) 5.162 6.953 ( 0.361 -5.098 0.731) 5.162 7.272 ( -1.306 -3.015 -0.503) 3.324 7.272 ( -1.306 -3.015 0.503) 3.324 7.435 ( -1.885 5.574 -1.744) 6.138 7.435 ( -1.885 5.574 1.744) 6.138 7.543 ( -3.378 3.332 -0.176) 4.749 7.543 ( -3.378 3.332 0.176) 4.749 7.910 ( 3.742 7.683 -2.077) 8.795 7.910 ( 3.742 7.683 2.077) 8.795 8.113 ( 0.944 7.345 -4.736) 8.790 8.113 ( 0.944 7.345 4.736) 8.790 8.472 ( 1.771 -4.150 -0.572) 4.548 8.472 ( 1.771 -4.150 0.572) 4.548 8.570 ( 0.009 -6.028 -3.870) 7.163 8.570 ( 0.009 -6.028 3.870) 7.163 8.734 ( 0.929 -4.628 -4.098) 6.251 8.734 ( 0.929 -4.628 4.098) 6.251 8.993 ( -2.195 -2.798 -3.639) 5.088 8.993 ( -2.195 -2.798 3.639) 5.088 9.780 ( 0.348 1.786 -0.894) 2.027 9.780 ( 0.348 1.786 0.894) 2.027 9.827 ( -0.685 2.875 -0.719) 3.042 9.827 ( -0.685 2.875 0.719) 3.042 ======================= Grid point 242 (75/84) ======================= q-point: ( 0.33 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 0.610 3.027 -1.528) 3.445 0.988 ( 0.610 3.027 1.528) 3.445 1.083 ( -1.909 3.739 -1.072) 4.333 1.083 ( -1.909 3.739 1.072) 4.333 1.276 ( 0.720 4.343 -1.038) 4.523 1.276 ( 0.720 4.343 1.038) 4.523 1.365 ( -0.132 3.986 -0.550) 4.026 1.365 ( -0.132 3.986 0.550) 4.026 1.746 ( -0.049 1.050 -1.134) 1.546 1.746 ( -0.049 1.050 1.134) 1.546 1.866 ( -1.300 4.453 -1.079) 4.762 1.866 ( -1.300 4.453 1.079) 4.762 2.001 ( 4.463 5.958 -1.263) 7.551 2.001 ( 4.463 5.958 1.263) 7.551 2.176 ( -2.479 2.238 -1.838) 3.812 2.176 ( -2.479 2.238 1.838) 3.812 2.463 ( -0.098 5.343 -0.962) 5.430 2.463 ( -0.098 5.343 0.962) 5.430 3.037 ( -1.827 1.890 -0.684) 2.716 3.037 ( -1.827 1.890 0.684) 2.716 3.589 ( 0.539 17.108 -1.110) 17.152 3.589 ( 0.539 17.108 1.110) 17.152 3.614 ( 0.932 11.121 -0.109) 11.160 3.614 ( 0.932 11.121 0.109) 11.160 5.009 ( 1.518 1.600 -1.122) 2.475 5.009 ( 1.518 1.600 1.122) 2.475 5.220 ( -0.453 -0.864 -0.183) 0.993 5.220 ( -0.453 -0.864 0.183) 0.993 5.669 ( -1.254 -4.398 -5.552) 7.193 5.669 ( -1.254 -4.398 5.552) 7.193 6.008 ( -3.915 -1.015 -1.996) 4.510 6.008 ( -3.915 -1.015 1.996) 4.510 6.500 ( 1.767 4.117 -2.394) 5.080 6.500 ( 1.767 4.117 2.394) 5.080 6.650 ( 0.060 5.664 -4.197) 7.050 6.650 ( 0.060 5.664 4.197) 7.050 6.966 ( 0.929 -4.932 -0.087) 5.019 6.966 ( 0.929 -4.932 0.087) 5.019 7.242 ( -1.700 -3.839 -0.395) 4.217 7.242 ( -1.700 -3.839 0.395) 4.217 7.392 ( -2.241 1.037 -1.052) 2.684 7.392 ( -2.241 1.037 1.052) 2.684 7.492 ( -1.847 8.388 -0.234) 8.592 7.492 ( -1.847 8.388 0.234) 8.592 7.988 ( 4.107 9.021 -3.387) 10.474 7.988 ( 4.107 9.021 3.387) 10.474 8.117 ( -0.751 3.955 -4.856) 6.307 8.117 ( -0.751 3.955 4.856) 6.307 8.511 ( 2.093 -3.936 -1.310) 4.646 8.511 ( 2.093 -3.936 1.310) 4.646 8.565 ( -0.552 -4.956 -0.961) 5.078 8.565 ( -0.552 -4.956 0.961) 5.078 8.772 ( 3.164 -4.045 -6.091) 7.967 8.772 ( 3.164 -4.045 6.091) 7.967 8.935 ( -3.965 -3.296 -5.201) 7.324 8.935 ( -3.965 -3.296 5.201) 7.324 9.783 ( -0.091 2.184 -0.589) 2.264 9.783 ( -0.091 2.184 0.589) 2.264 9.815 ( -0.337 2.913 -0.290) 2.946 9.815 ( -0.337 2.913 0.290) 2.946 ======================= Grid point 244 (76/84) ======================= q-point: (-0.50 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 0.000 2.332 0.000) 2.332 0.996 ( 0.000 2.332 0.000) 2.332 1.062 ( -0.000 4.519 -0.000) 4.519 1.062 ( 0.000 4.519 0.000) 4.519 1.286 ( 0.000 4.564 -0.000) 4.564 1.286 ( 0.000 4.564 0.000) 4.564 1.361 ( 0.000 4.481 0.000) 4.481 1.361 ( 0.000 4.481 0.000) 4.481 1.745 ( 0.000 -0.003 0.000) 0.003 1.745 ( 0.000 -0.003 0.000) 0.003 1.851 ( 0.000 4.478 0.000) 4.478 1.851 ( 0.000 4.478 0.000) 4.478 2.084 ( -0.000 5.081 -0.000) 5.081 2.084 ( 0.000 5.081 0.000) 5.081 2.112 ( -0.000 5.089 0.000) 5.089 2.112 ( -0.000 5.089 0.000) 5.089 2.465 ( 0.000 3.881 0.000) 3.881 2.465 ( 0.000 3.881 0.000) 3.881 3.018 ( 0.000 1.378 0.000) 1.378 3.018 ( 0.000 1.378 0.000) 1.378 3.594 ( 0.000 17.181 -0.000) 17.181 3.594 ( 0.000 17.181 0.000) 17.181 3.624 ( 0.000 10.847 -0.000) 10.847 3.624 ( 0.000 10.847 0.000) 10.847 5.026 ( 0.000 0.847 0.000) 0.847 5.026 ( 0.000 0.847 0.000) 0.847 5.214 ( 0.000 0.052 0.000) 0.052 5.214 ( 0.000 0.052 0.000) 0.052 5.659 ( 0.000 -3.017 0.000) 3.017 5.659 ( 0.000 -3.017 0.000) 3.017 5.965 ( 0.000 -0.811 -0.000) 0.811 5.965 ( 0.000 -0.811 0.000) 0.811 6.520 ( 0.000 4.352 -0.000) 4.352 6.520 ( 0.000 4.352 0.000) 4.352 6.649 ( 0.000 4.870 0.000) 4.870 6.649 ( 0.000 4.870 0.000) 4.870 6.977 ( 0.000 -4.517 0.000) 4.517 6.977 ( 0.000 -4.517 0.000) 4.517 7.223 ( 0.000 -4.510 0.000) 4.510 7.223 ( 0.000 -4.510 0.000) 4.510 7.369 ( 0.000 -0.019 0.000) 0.019 7.369 ( 0.000 -0.019 0.000) 0.019 7.475 ( 0.000 9.588 0.000) 9.588 7.475 ( 0.000 9.588 0.000) 9.588 8.039 ( 0.000 12.256 -0.000) 12.256 8.039 ( 0.000 12.256 0.000) 12.256 8.098 ( 0.000 0.023 -0.000) 0.023 8.098 ( 0.000 0.023 0.000) 0.023 8.536 ( 0.000 -3.321 0.000) 3.321 8.536 ( -0.000 -3.321 0.000) 3.321 8.555 ( -0.000 -5.203 -0.000) 5.203 8.555 ( 0.000 -5.203 0.000) 5.203 8.834 ( 0.000 -1.568 -0.000) 1.568 8.834 ( 0.000 -1.568 0.000) 1.568 8.865 ( -0.000 -5.591 -0.000) 5.591 8.865 ( -0.000 -5.591 0.000) 5.591 9.780 ( 0.000 2.402 0.000) 2.402 9.780 ( 0.000 2.402 0.000) 2.402 9.813 ( 0.000 2.930 -0.000) 2.930 9.813 ( 0.000 2.930 0.000) 2.930 ======================= Grid point 252 (77/84) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 0.000 3.864 -1.043) 4.002 1.058 ( 0.000 3.864 1.043) 4.002 1.170 ( 0.000 1.133 -0.993) 1.506 1.170 ( 0.000 1.133 0.993) 1.506 1.330 ( 0.000 4.939 -0.200) 4.943 1.330 ( 0.000 4.939 0.200) 4.943 1.450 ( 0.000 3.645 -0.769) 3.726 1.450 ( 0.000 3.645 0.769) 3.726 1.725 ( 0.000 -3.051 -0.764) 3.145 1.725 ( 0.000 -3.051 0.764) 3.145 1.946 ( 0.000 -6.416 -0.660) 6.449 1.946 ( 0.000 -6.416 0.660) 6.449 2.034 ( 0.000 3.293 -0.554) 3.339 2.034 ( 0.000 3.293 0.554) 3.339 2.096 ( 0.000 1.470 -0.104) 1.474 2.096 ( 0.000 1.470 0.104) 1.474 2.669 ( 0.000 7.513 -2.914) 8.058 2.669 ( 0.000 7.513 2.914) 8.058 3.032 ( 0.000 -5.471 -2.017) 5.831 3.032 ( 0.000 -5.471 2.017) 5.831 3.870 ( 0.000 13.606 -1.330) 13.671 3.870 ( 0.000 13.606 1.330) 13.671 3.892 ( 0.000 12.107 -0.785) 12.133 3.892 ( 0.000 12.107 0.785) 12.133 5.025 ( 0.000 2.409 -0.799) 2.538 5.025 ( 0.000 2.409 0.799) 2.538 5.187 ( 0.000 -1.073 -0.601) 1.230 5.187 ( 0.000 -1.073 0.601) 1.230 5.562 ( 0.000 -6.392 -0.203) 6.395 5.562 ( 0.000 -6.392 0.203) 6.395 6.086 ( 0.000 -0.824 -1.192) 1.449 6.086 ( 0.000 -0.824 1.192) 1.449 6.516 ( 0.000 2.096 -0.222) 2.108 6.516 ( 0.000 2.096 0.222) 2.108 6.756 ( 0.000 4.375 -6.589) 7.909 6.756 ( 0.000 4.375 6.589) 7.909 6.893 ( 0.000 -0.960 -1.863) 2.096 6.893 ( 0.000 -0.960 1.863) 2.096 7.187 ( 0.000 -6.178 -1.117) 6.278 7.187 ( 0.000 -6.178 1.117) 6.278 7.556 ( 0.000 2.873 -0.427) 2.904 7.556 ( 0.000 2.873 0.427) 2.904 7.605 ( 0.000 1.426 -0.245) 1.447 7.605 ( 0.000 1.426 0.245) 1.447 8.022 ( 0.000 6.979 -1.503) 7.139 8.022 ( 0.000 6.979 1.503) 7.139 8.238 ( 0.000 3.925 -2.357) 4.578 8.238 ( 0.000 3.925 2.357) 4.578 8.372 ( 0.000 -2.865 -0.037) 2.865 8.372 ( 0.000 -2.865 0.037) 2.865 8.414 ( 0.000 -7.439 -4.258) 8.571 8.414 ( 0.000 -7.439 4.258) 8.571 8.689 ( 0.000 0.060 -2.440) 2.441 8.689 ( 0.000 0.060 2.440) 2.441 8.943 ( 0.000 -4.009 -2.912) 4.954 8.943 ( 0.000 -4.009 2.912) 4.954 9.829 ( 0.000 3.320 -1.779) 3.767 9.829 ( 0.000 3.320 1.779) 3.767 9.904 ( 0.000 3.135 -1.478) 3.466 9.904 ( 0.000 3.135 1.478) 3.466 ======================= Grid point 254 (78/84) ======================= q-point: ( 0.17 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -0.146 3.645 -1.023) 3.789 1.056 ( -0.146 3.645 1.023) 3.789 1.159 ( -1.047 1.329 -0.894) 1.914 1.159 ( -1.047 1.329 0.894) 1.914 1.346 ( 1.548 5.094 -0.272) 5.331 1.346 ( 1.548 5.094 0.272) 5.331 1.445 ( -0.468 3.404 -0.719) 3.510 1.445 ( -0.468 3.404 0.719) 3.510 1.720 ( -0.620 -3.628 -1.008) 3.816 1.720 ( -0.620 -3.628 1.008) 3.816 1.917 ( -2.339 -5.488 -0.302) 5.974 1.917 ( -2.339 -5.488 0.302) 5.974 2.048 ( 2.041 4.750 -0.567) 5.201 2.048 ( 2.041 4.750 0.567) 5.201 2.140 ( 3.421 -0.178 -0.351) 3.443 2.140 ( 3.421 -0.178 0.351) 3.443 2.643 ( -2.611 7.383 -2.532) 8.231 2.643 ( -2.611 7.383 2.532) 8.231 3.018 ( -1.436 -5.256 -1.608) 5.681 3.018 ( -1.436 -5.256 1.608) 5.681 3.869 ( 0.081 12.849 -0.856) 12.878 3.869 ( 0.081 12.849 0.856) 12.878 3.899 ( 0.580 12.477 -0.869) 12.520 3.899 ( 0.580 12.477 0.869) 12.520 5.030 ( 0.569 2.006 -0.765) 2.222 5.030 ( 0.569 2.006 0.765) 2.222 5.188 ( 0.113 -1.396 -0.444) 1.470 5.188 ( 0.113 -1.396 0.444) 1.470 5.579 ( 1.766 -4.377 -3.541) 5.900 5.579 ( 1.766 -4.377 3.541) 5.900 6.050 ( -3.634 -1.291 -1.531) 4.149 6.050 ( -3.634 -1.291 1.531) 4.149 6.534 ( 1.885 2.437 -0.480) 3.118 6.534 ( 1.885 2.437 0.480) 3.118 6.751 ( -0.512 3.792 -5.790) 6.941 6.751 ( -0.512 3.792 5.790) 6.941 6.892 ( 0.056 -0.924 -1.247) 1.553 6.892 ( 0.056 -0.924 1.247) 1.553 7.168 ( -1.951 -6.324 -1.158) 6.719 7.168 ( -1.951 -6.324 1.158) 6.719 7.505 ( -3.933 2.993 -1.071) 5.058 7.505 ( -3.933 2.993 1.071) 5.058 7.614 ( -0.048 1.752 -1.010) 2.023 7.614 ( -0.048 1.752 1.010) 2.023 8.048 ( 2.502 6.207 -0.769) 6.736 8.048 ( 2.502 6.207 0.769) 6.736 8.238 ( -0.094 4.261 -2.613) 5.000 8.238 ( -0.094 4.261 2.613) 5.000 8.392 ( 1.966 -2.954 -0.443) 3.576 8.392 ( 1.966 -2.954 0.443) 3.576 8.431 ( 1.689 -6.848 -3.346) 7.806 8.431 ( 1.689 -6.848 3.346) 7.806 8.689 ( 0.141 -0.488 -1.775) 1.847 8.689 ( 0.141 -0.488 1.775) 1.847 8.920 ( -2.461 -4.128 -3.562) 5.982 8.920 ( -2.461 -4.128 3.562) 5.982 9.837 ( 0.758 3.432 -1.500) 3.822 9.837 ( 0.758 3.432 1.500) 3.822 9.899 ( -0.480 3.344 -1.236) 3.597 9.899 ( -0.480 3.344 1.236) 3.597 ======================= Grid point 256 (79/84) ======================= q-point: ( 0.33 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -0.132 3.218 -0.732) 3.303 1.054 ( -0.132 3.218 0.732) 3.303 1.138 ( -1.056 1.674 -0.555) 2.056 1.138 ( -1.056 1.674 0.555) 2.056 1.379 ( 1.681 5.508 -0.887) 5.827 1.379 ( 1.681 5.508 0.887) 5.827 1.436 ( -0.458 2.849 -0.741) 2.979 1.436 ( -0.458 2.849 0.741) 2.979 1.700 ( -1.334 -4.570 -1.041) 4.873 1.700 ( -1.334 -4.570 1.041) 4.873 1.882 ( -1.216 -3.439 -0.460) 3.676 1.882 ( -1.216 -3.439 0.460) 3.676 2.105 ( 3.609 3.947 -0.370) 5.361 2.105 ( 3.609 3.947 0.370) 5.361 2.193 ( 1.678 0.265 -0.686) 1.832 2.193 ( 1.678 0.265 0.686) 1.832 2.587 ( -2.819 6.711 -1.464) 7.425 2.587 ( -2.819 6.711 1.464) 7.425 2.986 ( -1.686 -4.823 -0.763) 5.166 2.986 ( -1.686 -4.823 0.763) 5.166 3.875 ( 0.492 12.167 -0.240) 12.180 3.875 ( 0.492 12.167 0.240) 12.180 3.907 ( 0.162 12.483 -0.614) 12.499 3.907 ( 0.162 12.483 0.614) 12.499 5.043 ( 0.624 1.486 -0.483) 1.683 5.043 ( 0.624 1.486 0.483) 1.683 5.189 ( -0.033 -2.051 -0.229) 2.064 5.189 ( -0.033 -2.051 0.229) 2.064 5.623 ( 2.655 -0.199 -4.690) 5.393 5.623 ( 2.655 -0.199 4.690) 5.393 5.967 ( -4.566 -2.406 -2.640) 5.797 5.967 ( -4.566 -2.406 2.640) 5.797 6.579 ( 2.629 3.288 -1.450) 4.453 6.579 ( 2.629 3.288 1.450) 4.453 6.734 ( -1.370 2.471 -3.799) 4.735 6.734 ( -1.370 2.471 3.799) 4.735 6.900 ( 0.811 -1.207 -0.061) 1.456 6.900 ( 0.811 -1.207 0.061) 1.456 7.123 ( -2.493 -6.617 -1.043) 7.148 7.123 ( -2.493 -6.617 1.043) 7.148 7.440 ( -2.691 3.437 -0.919) 4.460 7.440 ( -2.691 3.437 0.919) 4.460 7.602 ( -0.831 1.947 -1.124) 2.397 7.602 ( -0.831 1.947 1.124) 2.397 8.098 ( 2.349 4.350 -0.879) 5.021 8.098 ( 2.349 4.350 0.879) 5.021 8.233 ( -0.388 5.285 -2.655) 5.927 8.233 ( -0.388 5.285 2.655) 5.927 8.435 ( 2.317 -3.056 -1.419) 4.089 8.435 ( 2.317 -3.056 1.419) 4.089 8.465 ( 1.437 -4.819 -1.359) 5.209 8.465 ( 1.437 -4.819 1.359) 5.209 8.705 ( 1.948 -2.351 -4.302) 5.275 8.705 ( 1.948 -2.351 4.302) 5.275 8.855 ( -4.313 -4.290 -4.675) 7.672 8.855 ( -4.313 -4.290 4.675) 7.672 9.852 ( 0.665 3.857 -0.872) 4.010 9.852 ( 0.665 3.857 0.872) 4.010 9.889 ( -0.429 3.593 -0.670) 3.680 9.889 ( -0.429 3.593 0.670) 3.680 ======================= Grid point 258 (80/84) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 0.000 2.999 0.000) 2.999 1.052 ( 0.000 2.999 0.000) 2.999 1.127 ( 0.000 1.841 -0.000) 1.841 1.127 ( 0.000 1.841 0.000) 1.841 1.397 ( -0.000 6.020 -0.000) 6.020 1.397 ( 0.000 6.020 0.000) 6.020 1.431 ( 0.000 2.292 0.000) 2.292 1.431 ( 0.000 2.292 0.000) 2.292 1.684 ( 0.000 -4.831 0.000) 4.831 1.684 ( 0.000 -4.831 0.000) 4.831 1.871 ( 0.000 -2.720 0.000) 2.720 1.871 ( 0.000 -2.720 0.000) 2.720 2.152 ( 0.000 2.055 -0.000) 2.055 2.152 ( 0.000 2.055 0.000) 2.055 2.200 ( 0.000 2.512 0.000) 2.512 2.200 ( 0.000 2.512 0.000) 2.512 2.558 ( 0.000 5.922 0.000) 5.922 2.558 ( 0.000 5.922 0.000) 5.922 2.968 ( 0.000 -4.598 0.000) 4.598 2.968 ( 0.000 -4.598 0.000) 4.598 3.882 ( 0.000 12.001 -0.000) 12.001 3.882 ( 0.000 12.001 0.000) 12.001 3.907 ( 0.000 12.361 0.000) 12.361 3.907 ( 0.000 12.361 0.000) 12.361 5.049 ( 0.000 1.383 0.000) 1.383 5.049 ( 0.000 1.383 0.000) 1.383 5.188 ( 0.000 -2.382 0.000) 2.382 5.188 ( 0.000 -2.382 0.000) 2.382 5.655 ( 0.000 2.403 0.000) 2.403 5.655 ( 0.000 2.403 0.000) 2.403 5.916 ( 0.000 -3.556 -0.000) 3.556 5.916 ( 0.000 -3.556 0.000) 3.556 6.611 ( -0.000 4.267 -0.000) 4.267 6.611 ( 0.000 4.267 0.000) 4.267 6.714 ( 0.000 1.331 0.000) 1.331 6.714 ( -0.000 1.331 0.000) 1.331 6.912 ( 0.000 -1.527 0.000) 1.527 6.912 ( 0.000 -1.527 0.000) 1.527 7.095 ( 0.000 -6.776 -0.000) 6.776 7.095 ( 0.000 -6.776 0.000) 6.776 7.414 ( 0.000 3.608 0.000) 3.608 7.414 ( 0.000 3.608 0.000) 3.608 7.593 ( 0.000 2.007 0.000) 2.007 7.593 ( 0.000 2.007 0.000) 2.007 8.122 ( 0.000 2.926 0.000) 2.926 8.122 ( 0.000 2.926 0.000) 2.926 8.228 ( -0.000 6.348 0.000) 6.348 8.228 ( 0.000 6.348 0.000) 6.348 8.467 ( 0.000 -3.457 -0.000) 3.457 8.467 ( -0.000 -3.457 0.000) 3.457 8.471 ( -0.000 -2.999 -0.000) 2.999 8.471 ( 0.000 -2.999 0.000) 2.999 8.757 ( 0.000 -4.579 -0.000) 4.579 8.757 ( 0.000 -4.579 0.000) 4.579 8.779 ( -0.000 -3.493 -0.000) 3.493 8.779 ( -0.000 -3.493 0.000) 3.493 9.858 ( 0.000 4.307 0.000) 4.307 9.858 ( 0.000 4.307 0.000) 4.307 9.885 ( 0.000 3.494 -0.000) 3.494 9.885 ( 0.000 3.494 0.000) 3.494 ======================= Grid point 266 (81/84) ======================= q-point: ( 0.00 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 0.000 2.705 -0.437) 2.740 1.129 ( 0.000 2.705 0.437) 2.740 1.176 ( 0.000 -0.653 -0.467) 0.803 1.176 ( 0.000 -0.653 0.467) 0.803 1.461 ( 0.000 7.009 -0.299) 7.016 1.461 ( 0.000 7.009 0.299) 7.016 1.511 ( 0.000 2.066 -0.111) 2.069 1.511 ( 0.000 2.066 0.111) 2.069 1.639 ( 0.000 -4.519 -1.372) 4.723 1.639 ( 0.000 -4.519 1.372) 4.723 1.750 ( 0.000 -8.046 -1.372) 8.162 1.750 ( 0.000 -8.046 1.372) 8.162 2.111 ( 0.000 2.089 -0.278) 2.107 2.111 ( 0.000 2.089 0.278) 2.107 2.122 ( 0.000 0.644 -0.643) 0.910 2.122 ( 0.000 0.644 0.643) 0.910 2.804 ( 0.000 5.684 -2.087) 6.055 2.804 ( 0.000 5.684 2.087) 6.055 2.919 ( 0.000 -5.261 -1.793) 5.558 2.919 ( 0.000 -5.261 1.793) 5.558 4.060 ( 0.000 4.580 -0.077) 4.580 4.060 ( 0.000 4.580 0.077) 4.580 4.074 ( 0.000 4.764 -0.011) 4.764 4.074 ( 0.000 4.764 0.011) 4.764 5.059 ( 0.000 0.810 -0.233) 0.843 5.059 ( 0.000 0.810 0.233) 0.843 5.176 ( 0.000 -0.158 -0.296) 0.335 5.176 ( 0.000 -0.158 0.296) 0.335 5.474 ( 0.000 -2.123 -0.200) 2.132 5.474 ( 0.000 -2.123 0.200) 2.132 6.073 ( 0.000 -0.350 -0.631) 0.722 6.073 ( 0.000 -0.350 0.631) 0.722 6.547 ( 0.000 0.873 -0.821) 1.198 6.547 ( 0.000 0.873 0.821) 1.198 6.840 ( 0.000 3.157 -3.749) 4.901 6.840 ( 0.000 3.157 3.749) 4.901 6.886 ( 0.000 0.425 -1.460) 1.520 6.886 ( 0.000 0.425 1.460) 1.520 7.059 ( 0.000 -5.119 -1.716) 5.399 7.059 ( 0.000 -5.119 1.716) 5.399 7.595 ( 0.000 1.001 -0.103) 1.006 7.595 ( 0.000 1.001 0.103) 1.006 7.626 ( 0.000 0.502 -0.304) 0.587 7.626 ( 0.000 0.502 0.304) 0.587 8.142 ( 0.000 4.406 -1.050) 4.529 8.142 ( 0.000 4.406 1.050) 4.529 8.249 ( 0.000 -3.164 -0.468) 3.199 8.249 ( 0.000 -3.164 0.468) 3.199 8.315 ( 0.000 -0.778 -0.887) 1.180 8.315 ( 0.000 -0.778 0.887) 1.180 8.343 ( 0.000 -0.432 -0.305) 0.529 8.343 ( 0.000 -0.432 0.305) 0.529 8.704 ( 0.000 0.953 -1.112) 1.465 8.704 ( 0.000 0.953 1.112) 1.465 8.866 ( 0.000 -2.677 -1.568) 3.102 8.866 ( 0.000 -2.677 1.568) 3.102 9.894 ( 0.000 2.349 -1.478) 2.775 9.894 ( 0.000 2.349 1.478) 2.775 9.942 ( 0.000 0.503 -1.325) 1.418 9.942 ( 0.000 0.503 1.325) 1.418 ======================= Grid point 268 (82/84) ======================= q-point: ( 0.17 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -0.444 2.623 -0.427) 2.694 1.124 ( -0.444 2.623 0.427) 2.694 1.168 ( -0.840 -0.593 -0.485) 1.137 1.168 ( -0.840 -0.593 0.485) 1.137 1.467 ( 0.349 5.528 -1.150) 5.657 1.467 ( 0.349 5.528 1.150) 5.657 1.505 ( -0.505 2.142 -0.354) 2.229 1.505 ( -0.505 2.142 0.354) 2.229 1.635 ( -0.408 -2.983 -1.780) 3.497 1.635 ( -0.408 -2.983 1.780) 3.497 1.749 ( 0.036 -7.909 -0.996) 7.971 1.749 ( 0.036 -7.909 0.996) 7.971 2.125 ( 1.618 2.186 -0.456) 2.758 2.125 ( 1.618 2.186 0.456) 2.758 2.147 ( 2.258 0.093 -0.550) 2.326 2.147 ( 2.258 0.093 0.550) 2.326 2.782 ( -2.227 6.111 -1.779) 6.743 2.782 ( -2.227 6.111 1.779) 6.743 2.904 ( -1.436 -5.506 -1.444) 5.871 2.904 ( -1.436 -5.506 1.444) 5.871 4.059 ( 0.037 5.009 -0.367) 5.023 4.059 ( 0.037 5.009 0.367) 5.023 4.077 ( 0.293 4.300 -0.536) 4.343 4.077 ( 0.293 4.300 0.536) 4.343 5.056 ( -0.021 0.495 -0.167) 0.523 5.056 ( -0.021 0.495 0.167) 0.523 5.170 ( -0.653 -0.378 -0.346) 0.830 5.170 ( -0.653 -0.378 0.346) 0.830 5.523 ( 4.919 -1.191 -1.195) 5.201 5.523 ( 4.919 -1.191 1.195) 5.201 6.031 ( -4.325 -0.509 -0.727) 4.415 6.031 ( -4.325 -0.509 0.727) 4.415 6.569 ( 2.183 0.865 -0.498) 2.401 6.569 ( 2.183 0.865 0.498) 2.401 6.820 ( -1.968 2.576 -2.949) 4.382 6.820 ( -1.968 2.576 2.949) 4.382 6.891 ( 0.348 0.434 -0.848) 1.015 6.891 ( 0.348 0.434 0.848) 1.015 7.044 ( -1.613 -4.626 -1.442) 5.107 7.044 ( -1.613 -4.626 1.442) 5.107 7.565 ( -2.639 2.426 -0.086) 3.585 7.565 ( -2.639 2.426 0.086) 3.585 7.616 ( -1.155 -1.003 -1.070) 1.867 7.616 ( -1.155 -1.003 1.070) 1.867 8.165 ( 2.094 4.768 -0.979) 5.299 8.165 ( 2.094 4.768 0.979) 5.299 8.272 ( 1.833 -2.261 -0.509) 2.954 8.272 ( 1.833 -2.261 0.509) 2.954 8.323 ( 1.140 -1.467 -1.030) 2.124 8.323 ( 1.140 -1.467 1.030) 2.124 8.360 ( 1.793 -0.661 -0.132) 1.916 8.360 ( 1.793 -0.661 0.132) 1.916 8.693 ( -1.077 0.544 -0.817) 1.457 8.693 ( -1.077 0.544 0.817) 1.457 8.842 ( -2.552 -2.661 -1.739) 4.076 8.842 ( -2.552 -2.661 1.739) 4.076 9.901 ( 0.731 2.207 -1.210) 2.621 9.901 ( 0.731 2.207 1.210) 2.621 9.943 ( 0.026 0.768 -1.080) 1.326 9.943 ( 0.026 0.768 1.080) 1.326 ======================= Grid point 270 (83/84) ======================= q-point: ( 0.33 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -0.399 2.471 -0.315) 2.523 1.115 ( -0.399 2.471 0.315) 2.523 1.150 ( -0.859 -0.459 -0.368) 1.042 1.150 ( -0.859 -0.459 0.368) 1.042 1.468 ( -0.135 2.561 -1.105) 2.792 1.468 ( -0.135 2.561 1.105) 2.792 1.497 ( -0.405 1.612 -0.301) 1.689 1.497 ( -0.405 1.612 0.301) 1.689 1.628 ( -0.161 0.633 -1.260) 1.419 1.628 ( -0.161 0.633 1.260) 1.419 1.753 ( 0.250 -7.583 -0.396) 7.598 1.753 ( 0.250 -7.583 0.396) 7.598 2.164 ( 2.159 1.930 -0.382) 2.921 2.164 ( 2.159 1.930 0.382) 2.921 2.192 ( 2.138 -0.557 -0.414) 2.247 2.192 ( 2.138 -0.557 0.414) 2.247 2.733 ( -2.527 7.114 -0.985) 7.614 2.733 ( -2.527 7.114 0.985) 7.614 2.872 ( -1.686 -6.046 -0.699) 6.316 2.872 ( -1.686 -6.046 0.699) 6.316 4.063 ( 0.325 5.238 -0.182) 5.251 4.063 ( 0.325 5.238 0.182) 5.251 4.081 ( 0.048 4.003 -0.397) 4.023 4.081 ( 0.048 4.003 0.397) 4.023 5.066 ( 1.093 0.671 -0.196) 1.297 5.066 ( 1.093 0.671 0.196) 1.297 5.151 ( -1.306 -1.204 -0.414) 1.824 5.151 ( -1.306 -1.204 0.414) 1.824 5.637 ( 6.689 0.773 -1.909) 6.999 5.637 ( 6.689 0.773 1.909) 6.999 5.926 ( -6.451 -1.219 -1.394) 6.712 5.926 ( -6.451 -1.219 1.394) 6.712 6.624 ( 3.550 0.941 -0.359) 3.690 6.624 ( 3.550 0.941 0.359) 3.690 6.771 ( -3.250 1.336 -1.974) 4.030 6.771 ( -3.250 1.336 1.974) 4.030 6.900 ( 0.780 0.560 -0.379) 1.032 6.900 ( 0.780 0.560 0.379) 1.032 7.004 ( -2.416 -3.974 -0.983) 4.754 7.004 ( -2.416 -3.974 0.983) 4.754 7.518 ( -1.970 3.807 -0.325) 4.299 7.518 ( -1.970 3.807 0.325) 4.299 7.591 ( -1.280 -2.391 -1.266) 2.993 7.591 ( -1.280 -2.391 1.266) 2.993 8.202 ( 1.494 5.267 -0.646) 5.513 8.202 ( 1.494 5.267 0.646) 5.513 8.294 ( 0.580 -0.478 -1.065) 1.304 8.294 ( 0.580 -0.478 1.065) 1.304 8.365 ( 2.925 -2.565 -0.944) 4.003 8.365 ( 2.925 -2.565 0.944) 4.003 8.403 ( 2.319 -1.041 -0.647) 2.623 8.403 ( 2.319 -1.041 0.647) 2.623 8.675 ( -0.336 -0.569 -1.432) 1.577 8.675 ( -0.336 -0.569 1.432) 1.577 8.777 ( -4.125 -2.516 -1.965) 5.217 8.777 ( -4.125 -2.516 1.965) 5.217 9.918 ( 0.899 2.010 -0.665) 2.301 9.918 ( 0.899 2.010 0.665) 2.301 9.942 ( -0.159 1.222 -0.580) 1.362 9.942 ( -0.159 1.222 0.580) 1.362 ======================= Grid point 272 (84/84) ======================= q-point: (-0.50 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 0.000 2.407 0.000) 2.407 1.111 ( 0.000 2.407 0.000) 2.407 1.141 ( 0.000 -0.391 -0.000) 0.391 1.141 ( 0.000 -0.391 0.000) 0.391 1.466 ( 0.000 1.528 0.000) 1.528 1.466 ( 0.000 1.528 0.000) 1.528 1.492 ( 0.000 0.806 -0.000) 0.806 1.492 ( 0.000 0.806 0.000) 0.806 1.628 ( 0.000 2.461 0.000) 2.461 1.628 ( 0.000 2.461 0.000) 2.461 1.756 ( 0.000 -7.378 -0.000) 7.378 1.756 ( 0.000 -7.378 0.000) 7.378 2.188 ( 0.000 1.557 -0.000) 1.557 2.188 ( 0.000 1.557 0.000) 1.557 2.213 ( 0.000 -0.688 0.000) 0.688 2.213 ( 0.000 -0.688 0.000) 0.688 2.706 ( 0.000 7.731 -0.000) 7.731 2.706 ( 0.000 7.731 0.000) 7.731 2.854 ( 0.000 -6.350 0.000) 6.350 2.854 ( 0.000 -6.350 0.000) 6.350 4.067 ( 0.000 5.196 0.000) 5.196 4.067 ( 0.000 5.196 0.000) 5.196 4.080 ( 0.000 4.011 0.000) 4.011 4.080 ( 0.000 4.011 0.000) 4.011 5.084 ( 0.000 1.975 0.000) 1.975 5.084 ( 0.000 1.975 0.000) 1.975 5.132 ( 0.000 -2.695 0.000) 2.695 5.132 ( 0.000 -2.695 0.000) 2.695 5.734 ( -0.000 4.629 0.000) 4.629 5.734 ( 0.000 4.629 0.000) 4.629 5.831 ( -0.000 -4.527 -0.000) 4.527 5.831 ( 0.000 -4.527 0.000) 4.527 6.683 ( -0.000 2.450 0.000) 2.450 6.683 ( 0.000 2.450 0.000) 2.450 6.715 ( -0.000 -0.834 0.000) 0.834 6.715 ( 0.000 -0.834 0.000) 0.834 6.913 ( 0.000 1.455 0.000) 1.455 6.913 ( 0.000 1.455 0.000) 1.455 6.973 ( -0.000 -4.503 -0.000) 4.503 6.973 ( 0.000 -4.503 0.000) 4.503 7.499 ( 0.000 4.316 0.000) 4.316 7.499 ( 0.000 4.316 0.000) 4.316 7.578 ( 0.000 -2.838 -0.000) 2.838 7.578 ( 0.000 -2.838 0.000) 2.838 8.216 ( 0.000 5.488 0.000) 5.488 8.216 ( 0.000 5.488 0.000) 5.488 8.299 ( 0.000 -0.531 0.000) 0.531 8.299 ( 0.000 -0.531 0.000) 0.531 8.404 ( 0.000 -1.345 0.000) 1.345 8.404 ( 0.000 -1.345 0.000) 1.345 8.422 ( -0.000 -1.883 0.000) 1.883 8.422 ( 0.000 -1.883 0.000) 1.883 8.693 ( 0.000 -1.170 -0.000) 1.170 8.693 ( 0.000 -1.170 0.000) 1.170 8.711 ( -0.000 -2.565 -0.000) 2.565 8.711 ( -0.000 -2.565 0.000) 2.565 9.929 ( -0.000 2.114 0.000) 2.114 9.929 ( 0.000 2.114 0.000) 2.114 9.938 ( -0.000 1.251 -0.000) 1.251 9.938 ( 0.000 1.251 0.000) 1.251 =================== 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 3/18720 10.0 35.059 49.251 22.047 0.000 0.000 -0.000 3/18720 20.0 9.677 23.784 5.846 0.000 0.000 -0.000 3/18720 30.0 5.408 17.245 3.290 0.000 0.000 -0.000 3/18720 40.0 3.784 13.794 2.308 0.000 0.000 -0.000 3/18720 50.0 2.914 11.422 1.780 0.000 0.000 -0.000 3/18720 60.0 2.364 9.643 1.449 0.000 0.000 -0.000 3/18720 70.0 1.985 8.276 1.221 0.000 0.000 -0.000 3/18720 80.0 1.708 7.213 1.056 0.000 0.000 -0.000 3/18720 90.0 1.498 6.374 0.931 0.000 0.000 -0.000 3/18720 100.0 1.334 5.701 0.833 0.000 0.000 -0.000 3/18720 110.0 1.202 5.153 0.755 0.000 0.000 -0.000 3/18720 120.0 1.095 4.700 0.690 0.000 0.000 -0.000 3/18720 130.0 1.005 4.319 0.636 0.000 0.000 -0.000 3/18720 140.0 0.929 3.995 0.590 0.000 0.000 -0.000 3/18720 150.0 0.864 3.717 0.551 0.000 0.000 -0.000 3/18720 160.0 0.807 3.475 0.516 0.000 0.000 -0.000 3/18720 170.0 0.758 3.263 0.486 0.000 0.000 -0.000 3/18720 180.0 0.714 3.075 0.459 0.000 0.000 -0.000 3/18720 190.0 0.675 2.908 0.435 0.000 0.000 -0.000 3/18720 200.0 0.640 2.759 0.413 0.000 0.000 -0.000 3/18720 210.0 0.609 2.624 0.394 0.000 0.000 -0.000 3/18720 220.0 0.581 2.502 0.376 0.000 0.000 -0.000 3/18720 230.0 0.555 2.391 0.360 0.000 0.000 -0.000 3/18720 240.0 0.531 2.289 0.345 0.000 0.000 -0.000 3/18720 250.0 0.510 2.196 0.331 0.000 0.000 -0.000 3/18720 260.0 0.490 2.110 0.318 0.000 0.000 -0.000 3/18720 270.0 0.471 2.030 0.307 0.000 0.000 -0.000 3/18720 280.0 0.454 1.957 0.296 0.000 0.000 -0.000 3/18720 290.0 0.438 1.888 0.286 0.000 0.000 -0.000 3/18720 300.0 0.424 1.825 0.276 0.000 0.000 -0.000 3/18720 310.0 0.410 1.765 0.267 0.000 0.000 -0.000 3/18720 320.0 0.397 1.709 0.259 0.000 0.000 -0.000 3/18720 330.0 0.385 1.657 0.251 0.000 0.000 -0.000 3/18720 340.0 0.373 1.608 0.244 0.000 0.000 -0.000 3/18720 350.0 0.363 1.561 0.237 0.000 0.000 -0.000 3/18720 360.0 0.352 1.518 0.231 0.000 0.000 -0.000 3/18720 370.0 0.343 1.476 0.224 0.000 0.000 -0.000 3/18720 380.0 0.334 1.437 0.219 0.000 0.000 -0.000 3/18720 390.0 0.325 1.400 0.213 0.000 0.000 -0.000 3/18720 400.0 0.317 1.365 0.208 0.000 0.000 -0.000 3/18720 410.0 0.309 1.331 0.203 0.000 0.000 -0.000 3/18720 420.0 0.302 1.300 0.198 0.000 0.000 -0.000 3/18720 430.0 0.295 1.269 0.193 0.000 0.000 -0.000 3/18720 440.0 0.288 1.240 0.189 0.000 0.000 -0.000 3/18720 450.0 0.282 1.212 0.185 0.000 0.000 -0.000 3/18720 460.0 0.275 1.186 0.181 0.000 0.000 -0.000 3/18720 470.0 0.270 1.161 0.177 0.000 0.000 -0.000 3/18720 480.0 0.264 1.136 0.173 0.000 0.000 -0.000 3/18720 490.0 0.259 1.113 0.170 0.000 0.000 -0.000 3/18720 500.0 0.253 1.091 0.166 0.000 0.000 -0.000 3/18720 510.0 0.248 1.069 0.163 0.000 0.000 -0.000 3/18720 520.0 0.244 1.049 0.160 0.000 0.000 -0.000 3/18720 530.0 0.239 1.029 0.157 0.000 0.000 -0.000 3/18720 540.0 0.235 1.010 0.154 0.000 0.000 -0.000 3/18720 550.0 0.230 0.991 0.151 0.000 0.000 -0.000 3/18720 560.0 0.226 0.974 0.149 0.000 0.000 -0.000 3/18720 570.0 0.222 0.956 0.146 0.000 0.000 -0.000 3/18720 580.0 0.218 0.940 0.143 0.000 0.000 -0.000 3/18720 590.0 0.215 0.924 0.141 0.000 0.000 -0.000 3/18720 600.0 0.211 0.909 0.139 0.000 0.000 -0.000 3/18720 610.0 0.208 0.894 0.136 0.000 0.000 -0.000 3/18720 620.0 0.204 0.879 0.134 0.000 0.000 -0.000 3/18720 630.0 0.201 0.865 0.132 0.000 0.000 -0.000 3/18720 640.0 0.198 0.852 0.130 0.000 0.000 -0.000 3/18720 650.0 0.195 0.838 0.128 0.000 0.000 -0.000 3/18720 660.0 0.192 0.826 0.126 0.000 0.000 -0.000 3/18720 670.0 0.189 0.813 0.124 0.000 0.000 -0.000 3/18720 680.0 0.186 0.801 0.122 0.000 0.000 -0.000 3/18720 690.0 0.183 0.790 0.121 0.000 0.000 -0.000 3/18720 700.0 0.181 0.779 0.119 0.000 0.000 -0.000 3/18720 710.0 0.178 0.768 0.117 0.000 0.000 -0.000 3/18720 720.0 0.176 0.757 0.116 0.000 0.000 -0.000 3/18720 730.0 0.173 0.746 0.114 0.000 0.000 -0.000 3/18720 740.0 0.171 0.736 0.113 0.000 0.000 -0.000 3/18720 750.0 0.169 0.727 0.111 0.000 0.000 -0.000 3/18720 760.0 0.167 0.717 0.110 0.000 0.000 -0.000 3/18720 770.0 0.164 0.708 0.108 0.000 0.000 -0.000 3/18720 780.0 0.162 0.699 0.107 0.000 0.000 -0.000 3/18720 790.0 0.160 0.690 0.105 0.000 0.000 -0.000 3/18720 800.0 0.158 0.681 0.104 0.000 0.000 -0.000 3/18720 810.0 0.156 0.673 0.103 0.000 0.000 -0.000 3/18720 820.0 0.154 0.664 0.102 0.000 0.000 -0.000 3/18720 830.0 0.152 0.656 0.100 0.000 0.000 -0.000 3/18720 840.0 0.151 0.649 0.099 0.000 0.000 -0.000 3/18720 850.0 0.149 0.641 0.098 0.000 0.000 -0.000 3/18720 860.0 0.147 0.634 0.097 0.000 0.000 -0.000 3/18720 870.0 0.145 0.626 0.096 0.000 0.000 -0.000 3/18720 880.0 0.144 0.619 0.095 0.000 0.000 -0.000 3/18720 890.0 0.142 0.612 0.094 0.000 0.000 -0.000 3/18720 900.0 0.141 0.605 0.093 0.000 0.000 -0.000 3/18720 910.0 0.139 0.599 0.092 0.000 0.000 -0.000 3/18720 920.0 0.138 0.592 0.091 0.000 0.000 -0.000 3/18720 930.0 0.136 0.586 0.090 0.000 0.000 -0.000 3/18720 940.0 0.135 0.580 0.089 0.000 0.000 -0.000 3/18720 950.0 0.133 0.574 0.088 0.000 0.000 -0.000 3/18720 960.0 0.132 0.568 0.087 0.000 0.000 -0.000 3/18720 970.0 0.130 0.562 0.086 0.000 0.000 -0.000 3/18720 980.0 0.129 0.556 0.085 0.000 0.000 -0.000 3/18720 990.0 0.128 0.550 0.084 0.000 0.000 -0.000 3/18720 1000.0 0.127 0.545 0.083 0.000 0.000 -0.000 3/18720 Thermal conductivity related properties were written into "kappa-m6134.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:06:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|