----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:46:33]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.136266660226729 0.000000000000000 0.000000000000000 b 0.000000000000000 5.014902330000000 0.000000000000000 c -3.107724513005127 0.000000000000000 7.096794185605138 Atomic positions (fractional): *1 P 0.59161163204920 0.40228498514767 0.91821068509722 30.974 2 P 0.40838836795080 0.90228498514767 0.58178931490278 30.974 3 P 0.40838836795080 0.59771501485233 0.08178931490279 30.974 4 P 0.59161163204920 0.09771501485233 0.41821068509721 30.974 *5 P 0.72793577718233 0.76692559328602 0.30285306359227 30.974 6 P 0.27206422281767 0.26692559328602 0.19714693640773 30.974 7 P 0.27206422281767 0.23307440671398 0.69714693640773 30.974 8 P 0.72793577718233 0.73307440671398 0.80285306359227 30.974 *9 Ag 0.85987273600089 0.04603619987935 0.10113486947448 107.868 10 Ag 0.14012726399911 0.54603619987935 0.39886513052552 107.868 11 Ag 0.14012726399911 0.95396380012065 0.89886513052552 107.868 12 Ag 0.85987273600089 0.45396380012065 0.60113486947448 107.868 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.136266660226729 0.000000000000000 0.000000000000000 b 0.000000000000000 5.014902330000000 0.000000000000000 c -3.107724513005127 0.000000000000000 7.096794185605138 Atomic positions (fractional): *1 P 0.59161163204920 0.40228498514767 0.91821068509722 30.974 > 1 2 P 0.40838836795080 0.90228498514767 0.58178931490278 30.974 > 2 3 P 0.40838836795080 0.59771501485233 0.08178931490279 30.974 > 3 4 P 0.59161163204920 0.09771501485233 0.41821068509721 30.974 > 4 *5 P 0.72793577718233 0.76692559328602 0.30285306359227 30.974 > 5 6 P 0.27206422281767 0.26692559328602 0.19714693640773 30.974 > 6 7 P 0.27206422281767 0.23307440671398 0.69714693640773 30.974 > 7 8 P 0.72793577718233 0.73307440671398 0.80285306359227 30.974 > 8 *9 Ag 0.85987273600089 0.04603619987935 0.10113486947448 107.868 > 9 10 Ag 0.14012726399911 0.54603619987935 0.39886513052552 107.868 > 10 11 Ag 0.14012726399911 0.95396380012065 0.89886513052552 107.868 > 11 12 Ag 0.85987273600089 0.45396380012065 0.60113486947448 107.868 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.272533320453459 0.000000000000000 0.000000000000000 b 0.000000000000000 15.044706990000000 0.000000000000000 c -6.215449026010254 0.000000000000000 14.193588371210277 Atomic positions (fractional): *1 P 0.29580581602460 0.13409499504922 0.45910534254861 30.974 > 1 2 P 0.79580581602460 0.13409499504922 0.45910534254861 30.974 > 1 3 P 0.29580581602460 0.46742832838256 0.45910534254861 30.974 > 1 4 P 0.79580581602460 0.46742832838256 0.45910534254861 30.974 > 1 5 P 0.29580581602460 0.80076166171589 0.45910534254861 30.974 > 1 6 P 0.79580581602460 0.80076166171589 0.45910534254861 30.974 > 1 7 P 0.29580581602460 0.13409499504922 0.95910534254861 30.974 > 1 8 P 0.79580581602460 0.13409499504922 0.95910534254861 30.974 > 1 9 P 0.29580581602460 0.46742832838256 0.95910534254861 30.974 > 1 10 P 0.79580581602460 0.46742832838256 0.95910534254861 30.974 > 1 11 P 0.29580581602460 0.80076166171589 0.95910534254861 30.974 > 1 12 P 0.79580581602460 0.80076166171589 0.95910534254861 30.974 > 1 13 P 0.20419418397540 0.30076166171589 0.29089465745139 30.974 > 2 14 P 0.70419418397540 0.30076166171589 0.29089465745139 30.974 > 2 15 P 0.20419418397540 0.63409499504922 0.29089465745139 30.974 > 2 16 P 0.70419418397540 0.63409499504922 0.29089465745139 30.974 > 2 17 P 0.20419418397540 0.96742832838256 0.29089465745139 30.974 > 2 18 P 0.70419418397540 0.96742832838256 0.29089465745139 30.974 > 2 19 P 0.20419418397540 0.30076166171589 0.79089465745139 30.974 > 2 20 P 0.70419418397540 0.30076166171589 0.79089465745139 30.974 > 2 21 P 0.20419418397540 0.63409499504922 0.79089465745139 30.974 > 2 22 P 0.70419418397540 0.63409499504922 0.79089465745139 30.974 > 2 23 P 0.20419418397540 0.96742832838256 0.79089465745139 30.974 > 2 24 P 0.70419418397540 0.96742832838256 0.79089465745139 30.974 > 2 25 P 0.20419418397540 0.19923833828411 0.04089465745139 30.974 > 3 26 P 0.70419418397540 0.19923833828411 0.04089465745139 30.974 > 3 27 P 0.20419418397540 0.53257167161744 0.04089465745139 30.974 > 3 28 P 0.70419418397540 0.53257167161744 0.04089465745139 30.974 > 3 29 P 0.20419418397540 0.86590500495078 0.04089465745139 30.974 > 3 30 P 0.70419418397540 0.86590500495078 0.04089465745139 30.974 > 3 31 P 0.20419418397540 0.19923833828411 0.54089465745139 30.974 > 3 32 P 0.70419418397540 0.19923833828411 0.54089465745139 30.974 > 3 33 P 0.20419418397540 0.53257167161744 0.54089465745139 30.974 > 3 34 P 0.70419418397540 0.53257167161744 0.54089465745139 30.974 > 3 35 P 0.20419418397540 0.86590500495078 0.54089465745139 30.974 > 3 36 P 0.70419418397540 0.86590500495078 0.54089465745139 30.974 > 3 37 P 0.29580581602460 0.03257167161744 0.20910534254861 30.974 > 4 38 P 0.79580581602460 0.03257167161744 0.20910534254861 30.974 > 4 39 P 0.29580581602460 0.36590500495078 0.20910534254861 30.974 > 4 40 P 0.79580581602460 0.36590500495078 0.20910534254861 30.974 > 4 41 P 0.29580581602460 0.69923833828411 0.20910534254861 30.974 > 4 42 P 0.79580581602460 0.69923833828411 0.20910534254861 30.974 > 4 43 P 0.29580581602460 0.03257167161744 0.70910534254861 30.974 > 4 44 P 0.79580581602460 0.03257167161744 0.70910534254861 30.974 > 4 45 P 0.29580581602460 0.36590500495078 0.70910534254861 30.974 > 4 46 P 0.79580581602460 0.36590500495078 0.70910534254861 30.974 > 4 47 P 0.29580581602460 0.69923833828411 0.70910534254861 30.974 > 4 48 P 0.79580581602460 0.69923833828411 0.70910534254861 30.974 > 4 *49 P 0.36396788859116 0.25564186442867 0.15142653179614 30.974 > 5 50 P 0.86396788859116 0.25564186442867 0.15142653179614 30.974 > 5 51 P 0.36396788859116 0.58897519776201 0.15142653179614 30.974 > 5 52 P 0.86396788859116 0.58897519776201 0.15142653179614 30.974 > 5 53 P 0.36396788859116 0.92230853109534 0.15142653179614 30.974 > 5 54 P 0.86396788859116 0.92230853109534 0.15142653179614 30.974 > 5 55 P 0.36396788859116 0.25564186442867 0.65142653179614 30.974 > 5 56 P 0.86396788859116 0.25564186442867 0.65142653179614 30.974 > 5 57 P 0.36396788859116 0.58897519776201 0.65142653179614 30.974 > 5 58 P 0.86396788859116 0.58897519776201 0.65142653179614 30.974 > 5 59 P 0.36396788859116 0.92230853109534 0.65142653179614 30.974 > 5 60 P 0.86396788859116 0.92230853109534 0.65142653179614 30.974 > 5 61 P 0.13603211140884 0.08897519776201 0.09857346820386 30.974 > 6 62 P 0.63603211140884 0.08897519776201 0.09857346820386 30.974 > 6 63 P 0.13603211140884 0.42230853109534 0.09857346820386 30.974 > 6 64 P 0.63603211140884 0.42230853109534 0.09857346820386 30.974 > 6 65 P 0.13603211140884 0.75564186442867 0.09857346820386 30.974 > 6 66 P 0.63603211140884 0.75564186442867 0.09857346820386 30.974 > 6 67 P 0.13603211140884 0.08897519776201 0.59857346820386 30.974 > 6 68 P 0.63603211140884 0.08897519776201 0.59857346820386 30.974 > 6 69 P 0.13603211140884 0.42230853109534 0.59857346820386 30.974 > 6 70 P 0.63603211140884 0.42230853109534 0.59857346820386 30.974 > 6 71 P 0.13603211140884 0.75564186442867 0.59857346820386 30.974 > 6 72 P 0.63603211140884 0.75564186442867 0.59857346820386 30.974 > 6 73 P 0.13603211140884 0.07769146890466 0.34857346820386 30.974 > 7 74 P 0.63603211140884 0.07769146890466 0.34857346820386 30.974 > 7 75 P 0.13603211140884 0.41102480223799 0.34857346820386 30.974 > 7 76 P 0.63603211140884 0.41102480223799 0.34857346820386 30.974 > 7 77 P 0.13603211140884 0.74435813557133 0.34857346820386 30.974 > 7 78 P 0.63603211140884 0.74435813557133 0.34857346820386 30.974 > 7 79 P 0.13603211140884 0.07769146890466 0.84857346820386 30.974 > 7 80 P 0.63603211140884 0.07769146890466 0.84857346820386 30.974 > 7 81 P 0.13603211140884 0.41102480223799 0.84857346820386 30.974 > 7 82 P 0.63603211140884 0.41102480223799 0.84857346820386 30.974 > 7 83 P 0.13603211140884 0.74435813557133 0.84857346820386 30.974 > 7 84 P 0.63603211140884 0.74435813557133 0.84857346820386 30.974 > 7 85 P 0.36396788859116 0.24435813557133 0.40142653179614 30.974 > 8 86 P 0.86396788859116 0.24435813557133 0.40142653179614 30.974 > 8 87 P 0.36396788859116 0.57769146890466 0.40142653179614 30.974 > 8 88 P 0.86396788859116 0.57769146890466 0.40142653179614 30.974 > 8 89 P 0.36396788859116 0.91102480223799 0.40142653179614 30.974 > 8 90 P 0.86396788859116 0.91102480223799 0.40142653179614 30.974 > 8 91 P 0.36396788859116 0.24435813557133 0.90142653179614 30.974 > 8 92 P 0.86396788859116 0.24435813557133 0.90142653179614 30.974 > 8 93 P 0.36396788859116 0.57769146890466 0.90142653179614 30.974 > 8 94 P 0.86396788859116 0.57769146890466 0.90142653179614 30.974 > 8 95 P 0.36396788859116 0.91102480223799 0.90142653179614 30.974 > 8 96 P 0.86396788859116 0.91102480223799 0.90142653179614 30.974 > 8 *97 Ag 0.42993636800044 0.01534539995978 0.05056743473724 107.868 > 9 98 Ag 0.92993636800044 0.01534539995978 0.05056743473724 107.868 > 9 99 Ag 0.42993636800044 0.34867873329312 0.05056743473724 107.868 > 9 100 Ag 0.92993636800044 0.34867873329312 0.05056743473724 107.868 > 9 101 Ag 0.42993636800044 0.68201206662645 0.05056743473724 107.868 > 9 102 Ag 0.92993636800044 0.68201206662645 0.05056743473724 107.868 > 9 103 Ag 0.42993636800044 0.01534539995978 0.55056743473724 107.868 > 9 104 Ag 0.92993636800044 0.01534539995978 0.55056743473724 107.868 > 9 105 Ag 0.42993636800044 0.34867873329312 0.55056743473724 107.868 > 9 106 Ag 0.92993636800044 0.34867873329312 0.55056743473724 107.868 > 9 107 Ag 0.42993636800044 0.68201206662645 0.55056743473724 107.868 > 9 108 Ag 0.92993636800044 0.68201206662645 0.55056743473724 107.868 > 9 109 Ag 0.07006363199956 0.18201206662645 0.19943256526276 107.868 > 10 110 Ag 0.57006363199956 0.18201206662645 0.19943256526276 107.868 > 10 111 Ag 0.07006363199956 0.51534539995978 0.19943256526276 107.868 > 10 112 Ag 0.57006363199956 0.51534539995978 0.19943256526276 107.868 > 10 113 Ag 0.07006363199956 0.84867873329312 0.19943256526276 107.868 > 10 114 Ag 0.57006363199956 0.84867873329312 0.19943256526276 107.868 > 10 115 Ag 0.07006363199956 0.18201206662645 0.69943256526276 107.868 > 10 116 Ag 0.57006363199956 0.18201206662645 0.69943256526276 107.868 > 10 117 Ag 0.07006363199956 0.51534539995978 0.69943256526276 107.868 > 10 118 Ag 0.57006363199956 0.51534539995978 0.69943256526276 107.868 > 10 119 Ag 0.07006363199956 0.84867873329312 0.69943256526276 107.868 > 10 120 Ag 0.57006363199956 0.84867873329312 0.69943256526276 107.868 > 10 121 Ag 0.07006363199956 0.31798793337355 0.44943256526276 107.868 > 11 122 Ag 0.57006363199956 0.31798793337355 0.44943256526276 107.868 > 11 123 Ag 0.07006363199956 0.65132126670688 0.44943256526276 107.868 > 11 124 Ag 0.57006363199956 0.65132126670688 0.44943256526276 107.868 > 11 125 Ag 0.07006363199956 0.98465460004022 0.44943256526276 107.868 > 11 126 Ag 0.57006363199956 0.98465460004022 0.44943256526276 107.868 > 11 127 Ag 0.07006363199956 0.31798793337355 0.94943256526276 107.868 > 11 128 Ag 0.57006363199956 0.31798793337355 0.94943256526276 107.868 > 11 129 Ag 0.07006363199956 0.65132126670688 0.94943256526276 107.868 > 11 130 Ag 0.57006363199956 0.65132126670688 0.94943256526276 107.868 > 11 131 Ag 0.07006363199956 0.98465460004022 0.94943256526276 107.868 > 11 132 Ag 0.57006363199956 0.98465460004022 0.94943256526276 107.868 > 11 133 Ag 0.42993636800044 0.15132126670688 0.30056743473724 107.868 > 12 134 Ag 0.92993636800044 0.15132126670688 0.30056743473724 107.868 > 12 135 Ag 0.42993636800044 0.48465460004022 0.30056743473724 107.868 > 12 136 Ag 0.92993636800044 0.48465460004022 0.30056743473724 107.868 > 12 137 Ag 0.42993636800044 0.81798793337355 0.30056743473724 107.868 > 12 138 Ag 0.92993636800044 0.81798793337355 0.30056743473724 107.868 > 12 139 Ag 0.42993636800044 0.15132126670688 0.80056743473724 107.868 > 12 140 Ag 0.92993636800044 0.15132126670688 0.80056743473724 107.868 > 12 141 Ag 0.42993636800044 0.48465460004022 0.80056743473724 107.868 > 12 142 Ag 0.92993636800044 0.48465460004022 0.80056743473724 107.868 > 12 143 Ag 0.42993636800044 0.81798793337355 0.80056743473724 107.868 > 12 144 Ag 0.92993636800044 0.81798793337355 0.80056743473724 107.868 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 14.6868600 0.0000000 0.2680972 0.0000000 18.9135848 0.0000000 0.2680967 0.0000000 16.0145798 -------------------------- Born effective charges -------------------------- 1 P 0.0688171 0.4565150 -0.4467933 0.3611907 0.6914608 -0.1279548 -0.3702518 -0.1835942 0.1945426 2 P 0.0688171 -0.4565150 -0.4467933 -0.3611907 0.6914608 0.1279548 -0.3702518 0.1835942 0.1945426 3 P 0.0688171 0.4565150 -0.4467933 0.3611907 0.6914608 -0.1279548 -0.3702518 -0.1835942 0.1945426 4 P 0.0688171 -0.4565150 -0.4467933 -0.3611907 0.6914608 0.1279548 -0.3702518 0.1835942 0.1945426 5 P -0.5911213 0.0634649 0.1906257 -0.2929397 -1.2767867 -0.2484710 0.3069712 -0.1200676 -0.6965385 6 P -0.5911213 -0.0634649 0.1906257 0.2929397 -1.2767867 0.2484710 0.3069712 0.1200676 -0.6965385 7 P -0.5911213 0.0634649 0.1906257 -0.2929397 -1.2767867 -0.2484710 0.3069712 -0.1200676 -0.6965385 8 P -0.5911213 -0.0634649 0.1906257 0.2929397 -1.2767867 0.2484710 0.3069712 0.1200676 -0.6965385 9 Ag 0.5223042 0.0664264 0.2561676 0.5402552 0.5853259 0.2730747 0.0632806 0.0922906 0.5019960 10 Ag 0.5223042 -0.0664264 0.2561676 -0.5402552 0.5853259 -0.2730747 0.0632806 -0.0922906 0.5019960 11 Ag 0.5223042 0.0664264 0.2561676 0.5402552 0.5853259 0.2730747 0.0632806 0.0922906 0.5019960 12 Ag 0.5223042 -0.0664264 0.2561676 -0.5402552 0.5853259 -0.2730747 0.0632806 -0.0922906 0.5019960 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2034 Number of blocks in projector: 2034 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: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 246 Use standard eigh solver. Tree of FC basis block matrices: - (2034, 2008), data: False |-- (246, 243), data: True |-- (246, 243), data: True |-- (246, 243), data: True |-- (432, 427), data: True |-- (432, 426), data: True |-- (432, 426), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 4.690 Solver_block: 200 / 400 - Time: 4.822 Solver_block: 300 / 400 - Time: 4.811 Solver_block: 400 / 400 - Time: 4.862 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.484 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2034 Number of blocks in projector: 2034 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: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 246 Use standard eigh solver. Tree of FC basis block matrices: - (2034, 2008), data: False |-- (246, 243), data: True |-- (246, 243), data: True |-- (246, 243), data: True |-- (432, 427), data: True |-- (432, 426), data: True |-- (432, 426), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:47:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:47:19]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.136266660226729 0.000000000000000 0.000000000000000 b 0.000000000000000 5.014902330000000 0.000000000000000 c -3.107724513005127 0.000000000000000 7.096794185605138 Atomic positions (fractional): 1 P 0.59161163204920 0.40228498514767 0.91821068509722 30.974 2 P 0.40838836795080 0.90228498514767 0.58178931490278 30.974 3 P 0.40838836795080 0.59771501485233 0.08178931490279 30.974 4 P 0.59161163204920 0.09771501485233 0.41821068509721 30.974 5 P 0.72793577718233 0.76692559328602 0.30285306359227 30.974 6 P 0.27206422281767 0.26692559328602 0.19714693640773 30.974 7 P 0.27206422281767 0.23307440671398 0.69714693640773 30.974 8 P 0.72793577718233 0.73307440671398 0.80285306359227 30.974 9 Ag 0.85987273600089 0.04603619987935 0.10113486947448 107.868 10 Ag 0.14012726399911 0.54603619987935 0.39886513052552 107.868 11 Ag 0.14012726399911 0.95396380012065 0.89886513052552 107.868 12 Ag 0.85987273600089 0.45396380012065 0.60113486947448 107.868 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.272533320453459 0.000000000000000 0.000000000000000 b 0.000000000000000 15.044706990000000 0.000000000000000 c -6.215449026010254 0.000000000000000 14.193588371210277 Atomic positions (fractional): 1 P 0.29580581602460 0.13409499504922 0.45910534254861 30.974 > 1 2 P 0.79580581602460 0.13409499504922 0.45910534254861 30.974 > 1 3 P 0.29580581602460 0.46742832838256 0.45910534254861 30.974 > 1 4 P 0.79580581602460 0.46742832838256 0.45910534254861 30.974 > 1 5 P 0.29580581602460 0.80076166171589 0.45910534254861 30.974 > 1 6 P 0.79580581602460 0.80076166171589 0.45910534254861 30.974 > 1 7 P 0.29580581602460 0.13409499504922 0.95910534254861 30.974 > 1 8 P 0.79580581602460 0.13409499504922 0.95910534254861 30.974 > 1 9 P 0.29580581602460 0.46742832838256 0.95910534254861 30.974 > 1 10 P 0.79580581602460 0.46742832838256 0.95910534254861 30.974 > 1 11 P 0.29580581602460 0.80076166171589 0.95910534254861 30.974 > 1 12 P 0.79580581602460 0.80076166171589 0.95910534254861 30.974 > 1 13 P 0.20419418397540 0.30076166171589 0.29089465745139 30.974 > 13 14 P 0.70419418397540 0.30076166171589 0.29089465745139 30.974 > 13 15 P 0.20419418397540 0.63409499504922 0.29089465745139 30.974 > 13 16 P 0.70419418397540 0.63409499504922 0.29089465745139 30.974 > 13 17 P 0.20419418397540 0.96742832838256 0.29089465745139 30.974 > 13 18 P 0.70419418397540 0.96742832838256 0.29089465745139 30.974 > 13 19 P 0.20419418397540 0.30076166171589 0.79089465745139 30.974 > 13 20 P 0.70419418397540 0.30076166171589 0.79089465745139 30.974 > 13 21 P 0.20419418397540 0.63409499504922 0.79089465745139 30.974 > 13 22 P 0.70419418397540 0.63409499504922 0.79089465745139 30.974 > 13 23 P 0.20419418397540 0.96742832838256 0.79089465745139 30.974 > 13 24 P 0.70419418397540 0.96742832838256 0.79089465745139 30.974 > 13 25 P 0.20419418397540 0.19923833828411 0.04089465745139 30.974 > 25 26 P 0.70419418397540 0.19923833828411 0.04089465745139 30.974 > 25 27 P 0.20419418397540 0.53257167161744 0.04089465745139 30.974 > 25 28 P 0.70419418397540 0.53257167161744 0.04089465745139 30.974 > 25 29 P 0.20419418397540 0.86590500495078 0.04089465745139 30.974 > 25 30 P 0.70419418397540 0.86590500495078 0.04089465745139 30.974 > 25 31 P 0.20419418397540 0.19923833828411 0.54089465745139 30.974 > 25 32 P 0.70419418397540 0.19923833828411 0.54089465745139 30.974 > 25 33 P 0.20419418397540 0.53257167161744 0.54089465745139 30.974 > 25 34 P 0.70419418397540 0.53257167161744 0.54089465745139 30.974 > 25 35 P 0.20419418397540 0.86590500495078 0.54089465745139 30.974 > 25 36 P 0.70419418397540 0.86590500495078 0.54089465745139 30.974 > 25 37 P 0.29580581602460 0.03257167161744 0.20910534254861 30.974 > 37 38 P 0.79580581602460 0.03257167161744 0.20910534254861 30.974 > 37 39 P 0.29580581602460 0.36590500495078 0.20910534254861 30.974 > 37 40 P 0.79580581602460 0.36590500495078 0.20910534254861 30.974 > 37 41 P 0.29580581602460 0.69923833828411 0.20910534254861 30.974 > 37 42 P 0.79580581602460 0.69923833828411 0.20910534254861 30.974 > 37 43 P 0.29580581602460 0.03257167161744 0.70910534254861 30.974 > 37 44 P 0.79580581602460 0.03257167161744 0.70910534254861 30.974 > 37 45 P 0.29580581602460 0.36590500495078 0.70910534254861 30.974 > 37 46 P 0.79580581602460 0.36590500495078 0.70910534254861 30.974 > 37 47 P 0.29580581602460 0.69923833828411 0.70910534254861 30.974 > 37 48 P 0.79580581602460 0.69923833828411 0.70910534254861 30.974 > 37 49 P 0.36396788859116 0.25564186442867 0.15142653179614 30.974 > 49 50 P 0.86396788859116 0.25564186442867 0.15142653179614 30.974 > 49 51 P 0.36396788859116 0.58897519776201 0.15142653179614 30.974 > 49 52 P 0.86396788859116 0.58897519776201 0.15142653179614 30.974 > 49 53 P 0.36396788859116 0.92230853109534 0.15142653179614 30.974 > 49 54 P 0.86396788859116 0.92230853109534 0.15142653179614 30.974 > 49 55 P 0.36396788859116 0.25564186442867 0.65142653179614 30.974 > 49 56 P 0.86396788859116 0.25564186442867 0.65142653179614 30.974 > 49 57 P 0.36396788859116 0.58897519776201 0.65142653179614 30.974 > 49 58 P 0.86396788859116 0.58897519776201 0.65142653179614 30.974 > 49 59 P 0.36396788859116 0.92230853109534 0.65142653179614 30.974 > 49 60 P 0.86396788859116 0.92230853109534 0.65142653179614 30.974 > 49 61 P 0.13603211140884 0.08897519776201 0.09857346820386 30.974 > 61 62 P 0.63603211140884 0.08897519776201 0.09857346820386 30.974 > 61 63 P 0.13603211140884 0.42230853109534 0.09857346820386 30.974 > 61 64 P 0.63603211140884 0.42230853109534 0.09857346820386 30.974 > 61 65 P 0.13603211140884 0.75564186442867 0.09857346820386 30.974 > 61 66 P 0.63603211140884 0.75564186442867 0.09857346820386 30.974 > 61 67 P 0.13603211140884 0.08897519776201 0.59857346820386 30.974 > 61 68 P 0.63603211140884 0.08897519776201 0.59857346820386 30.974 > 61 69 P 0.13603211140884 0.42230853109534 0.59857346820386 30.974 > 61 70 P 0.63603211140884 0.42230853109534 0.59857346820386 30.974 > 61 71 P 0.13603211140884 0.75564186442867 0.59857346820386 30.974 > 61 72 P 0.63603211140884 0.75564186442867 0.59857346820386 30.974 > 61 73 P 0.13603211140884 0.07769146890466 0.34857346820386 30.974 > 73 74 P 0.63603211140884 0.07769146890466 0.34857346820386 30.974 > 73 75 P 0.13603211140884 0.41102480223799 0.34857346820386 30.974 > 73 76 P 0.63603211140884 0.41102480223799 0.34857346820386 30.974 > 73 77 P 0.13603211140884 0.74435813557133 0.34857346820386 30.974 > 73 78 P 0.63603211140884 0.74435813557133 0.34857346820386 30.974 > 73 79 P 0.13603211140884 0.07769146890466 0.84857346820386 30.974 > 73 80 P 0.63603211140884 0.07769146890466 0.84857346820386 30.974 > 73 81 P 0.13603211140884 0.41102480223799 0.84857346820386 30.974 > 73 82 P 0.63603211140884 0.41102480223799 0.84857346820386 30.974 > 73 83 P 0.13603211140884 0.74435813557133 0.84857346820386 30.974 > 73 84 P 0.63603211140884 0.74435813557133 0.84857346820386 30.974 > 73 85 P 0.36396788859116 0.24435813557133 0.40142653179614 30.974 > 85 86 P 0.86396788859116 0.24435813557133 0.40142653179614 30.974 > 85 87 P 0.36396788859116 0.57769146890466 0.40142653179614 30.974 > 85 88 P 0.86396788859116 0.57769146890466 0.40142653179614 30.974 > 85 89 P 0.36396788859116 0.91102480223799 0.40142653179614 30.974 > 85 90 P 0.86396788859116 0.91102480223799 0.40142653179614 30.974 > 85 91 P 0.36396788859116 0.24435813557133 0.90142653179614 30.974 > 85 92 P 0.86396788859116 0.24435813557133 0.90142653179614 30.974 > 85 93 P 0.36396788859116 0.57769146890466 0.90142653179614 30.974 > 85 94 P 0.86396788859116 0.57769146890466 0.90142653179614 30.974 > 85 95 P 0.36396788859116 0.91102480223799 0.90142653179614 30.974 > 85 96 P 0.86396788859116 0.91102480223799 0.90142653179614 30.974 > 85 97 Ag 0.42993636800044 0.01534539995978 0.05056743473724 107.868 > 97 98 Ag 0.92993636800044 0.01534539995978 0.05056743473724 107.868 > 97 99 Ag 0.42993636800044 0.34867873329312 0.05056743473724 107.868 > 97 100 Ag 0.92993636800044 0.34867873329312 0.05056743473724 107.868 > 97 101 Ag 0.42993636800044 0.68201206662645 0.05056743473724 107.868 > 97 102 Ag 0.92993636800044 0.68201206662645 0.05056743473724 107.868 > 97 103 Ag 0.42993636800044 0.01534539995978 0.55056743473724 107.868 > 97 104 Ag 0.92993636800044 0.01534539995978 0.55056743473724 107.868 > 97 105 Ag 0.42993636800044 0.34867873329312 0.55056743473724 107.868 > 97 106 Ag 0.92993636800044 0.34867873329312 0.55056743473724 107.868 > 97 107 Ag 0.42993636800044 0.68201206662645 0.55056743473724 107.868 > 97 108 Ag 0.92993636800044 0.68201206662645 0.55056743473724 107.868 > 97 109 Ag 0.07006363199956 0.18201206662645 0.19943256526276 107.868 > 109 110 Ag 0.57006363199956 0.18201206662645 0.19943256526276 107.868 > 109 111 Ag 0.07006363199956 0.51534539995978 0.19943256526276 107.868 > 109 112 Ag 0.57006363199956 0.51534539995978 0.19943256526276 107.868 > 109 113 Ag 0.07006363199956 0.84867873329312 0.19943256526276 107.868 > 109 114 Ag 0.57006363199956 0.84867873329312 0.19943256526276 107.868 > 109 115 Ag 0.07006363199956 0.18201206662645 0.69943256526276 107.868 > 109 116 Ag 0.57006363199956 0.18201206662645 0.69943256526276 107.868 > 109 117 Ag 0.07006363199956 0.51534539995978 0.69943256526276 107.868 > 109 118 Ag 0.57006363199956 0.51534539995978 0.69943256526276 107.868 > 109 119 Ag 0.07006363199956 0.84867873329312 0.69943256526276 107.868 > 109 120 Ag 0.57006363199956 0.84867873329312 0.69943256526276 107.868 > 109 121 Ag 0.07006363199956 0.31798793337355 0.44943256526276 107.868 > 121 122 Ag 0.57006363199956 0.31798793337355 0.44943256526276 107.868 > 121 123 Ag 0.07006363199956 0.65132126670688 0.44943256526276 107.868 > 121 124 Ag 0.57006363199956 0.65132126670688 0.44943256526276 107.868 > 121 125 Ag 0.07006363199956 0.98465460004022 0.44943256526276 107.868 > 121 126 Ag 0.57006363199956 0.98465460004022 0.44943256526276 107.868 > 121 127 Ag 0.07006363199956 0.31798793337355 0.94943256526276 107.868 > 121 128 Ag 0.57006363199956 0.31798793337355 0.94943256526276 107.868 > 121 129 Ag 0.07006363199956 0.65132126670688 0.94943256526276 107.868 > 121 130 Ag 0.57006363199956 0.65132126670688 0.94943256526276 107.868 > 121 131 Ag 0.07006363199956 0.98465460004022 0.94943256526276 107.868 > 121 132 Ag 0.57006363199956 0.98465460004022 0.94943256526276 107.868 > 121 133 Ag 0.42993636800044 0.15132126670688 0.30056743473724 107.868 > 133 134 Ag 0.92993636800044 0.15132126670688 0.30056743473724 107.868 > 133 135 Ag 0.42993636800044 0.48465460004022 0.30056743473724 107.868 > 133 136 Ag 0.92993636800044 0.48465460004022 0.30056743473724 107.868 > 133 137 Ag 0.42993636800044 0.81798793337355 0.30056743473724 107.868 > 133 138 Ag 0.92993636800044 0.81798793337355 0.30056743473724 107.868 > 133 139 Ag 0.42993636800044 0.15132126670688 0.80056743473724 107.868 > 133 140 Ag 0.92993636800044 0.15132126670688 0.80056743473724 107.868 > 133 141 Ag 0.42993636800044 0.48465460004022 0.80056743473724 107.868 > 133 142 Ag 0.92993636800044 0.48465460004022 0.80056743473724 107.868 > 133 143 Ag 0.42993636800044 0.81798793337355 0.80056743473724 107.868 > 133 144 Ag 0.92993636800044 0.81798793337355 0.80056743473724 107.868 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 14.6868600 0.0000000 0.2680972 0.0000000 18.9135848 0.0000000 0.2680967 0.0000000 16.0145798 -------------------------- Born effective charges -------------------------- 1 P 0.0688171 0.4565150 -0.4467933 0.3611907 0.6914608 -0.1279548 -0.3702518 -0.1835942 0.1945426 2 P 0.0688171 -0.4565150 -0.4467933 -0.3611907 0.6914608 0.1279548 -0.3702518 0.1835942 0.1945426 3 P 0.0688171 0.4565150 -0.4467933 0.3611907 0.6914608 -0.1279548 -0.3702518 -0.1835942 0.1945426 4 P 0.0688171 -0.4565150 -0.4467933 -0.3611907 0.6914608 0.1279548 -0.3702518 0.1835942 0.1945426 5 P -0.5911213 0.0634649 0.1906257 -0.2929397 -1.2767867 -0.2484710 0.3069712 -0.1200676 -0.6965385 6 P -0.5911213 -0.0634649 0.1906257 0.2929397 -1.2767867 0.2484710 0.3069712 0.1200676 -0.6965385 7 P -0.5911213 0.0634649 0.1906257 -0.2929397 -1.2767867 -0.2484710 0.3069712 -0.1200676 -0.6965385 8 P -0.5911213 -0.0634649 0.1906257 0.2929397 -1.2767867 0.2484710 0.3069712 0.1200676 -0.6965385 9 Ag 0.5223042 0.0664264 0.2561676 0.5402552 0.5853259 0.2730747 0.0632806 0.0922906 0.5019960 10 Ag 0.5223042 -0.0664264 0.2561676 -0.5402552 0.5853259 -0.2730747 0.0632806 -0.0922906 0.5019960 11 Ag 0.5223042 0.0664264 0.2561676 0.5402552 0.5853259 0.2730747 0.0632806 0.0922906 0.5019960 12 Ag 0.5223042 -0.0664264 0.2561676 -0.5402552 0.5853259 -0.2730747 0.0632806 -0.0922906 0.5019960 ---------------------------------------------------------------------------- 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:47:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:47:41]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.136266660226729 0.000000000000000 0.000000000000000 b 0.000000000000000 5.014902330000000 0.000000000000000 c -3.107724513005127 0.000000000000000 7.096794185605138 Atomic positions (fractional): 1 P 0.59161163204920 0.40228498514767 0.91821068509722 30.974 2 P 0.40838836795080 0.90228498514767 0.58178931490278 30.974 3 P 0.40838836795080 0.59771501485233 0.08178931490279 30.974 4 P 0.59161163204920 0.09771501485233 0.41821068509721 30.974 5 P 0.72793577718233 0.76692559328602 0.30285306359227 30.974 6 P 0.27206422281767 0.26692559328602 0.19714693640773 30.974 7 P 0.27206422281767 0.23307440671398 0.69714693640773 30.974 8 P 0.72793577718233 0.73307440671398 0.80285306359227 30.974 9 Ag 0.85987273600089 0.04603619987935 0.10113486947448 107.868 10 Ag 0.14012726399911 0.54603619987935 0.39886513052552 107.868 11 Ag 0.14012726399911 0.95396380012065 0.89886513052552 107.868 12 Ag 0.85987273600089 0.45396380012065 0.60113486947448 107.868 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.272533320453459 0.000000000000000 0.000000000000000 b 0.000000000000000 15.044706990000000 0.000000000000000 c -6.215449026010254 0.000000000000000 14.193588371210277 Atomic positions (fractional): 1 P 0.29580581602460 0.13409499504922 0.45910534254861 30.974 > 1 2 P 0.79580581602460 0.13409499504922 0.45910534254861 30.974 > 1 3 P 0.29580581602460 0.46742832838256 0.45910534254861 30.974 > 1 4 P 0.79580581602460 0.46742832838256 0.45910534254861 30.974 > 1 5 P 0.29580581602460 0.80076166171589 0.45910534254861 30.974 > 1 6 P 0.79580581602460 0.80076166171589 0.45910534254861 30.974 > 1 7 P 0.29580581602460 0.13409499504922 0.95910534254861 30.974 > 1 8 P 0.79580581602460 0.13409499504922 0.95910534254861 30.974 > 1 9 P 0.29580581602460 0.46742832838256 0.95910534254861 30.974 > 1 10 P 0.79580581602460 0.46742832838256 0.95910534254861 30.974 > 1 11 P 0.29580581602460 0.80076166171589 0.95910534254861 30.974 > 1 12 P 0.79580581602460 0.80076166171589 0.95910534254861 30.974 > 1 13 P 0.20419418397540 0.30076166171589 0.29089465745139 30.974 > 13 14 P 0.70419418397540 0.30076166171589 0.29089465745139 30.974 > 13 15 P 0.20419418397540 0.63409499504922 0.29089465745139 30.974 > 13 16 P 0.70419418397540 0.63409499504922 0.29089465745139 30.974 > 13 17 P 0.20419418397540 0.96742832838256 0.29089465745139 30.974 > 13 18 P 0.70419418397540 0.96742832838256 0.29089465745139 30.974 > 13 19 P 0.20419418397540 0.30076166171589 0.79089465745139 30.974 > 13 20 P 0.70419418397540 0.30076166171589 0.79089465745139 30.974 > 13 21 P 0.20419418397540 0.63409499504922 0.79089465745139 30.974 > 13 22 P 0.70419418397540 0.63409499504922 0.79089465745139 30.974 > 13 23 P 0.20419418397540 0.96742832838256 0.79089465745139 30.974 > 13 24 P 0.70419418397540 0.96742832838256 0.79089465745139 30.974 > 13 25 P 0.20419418397540 0.19923833828411 0.04089465745139 30.974 > 25 26 P 0.70419418397540 0.19923833828411 0.04089465745139 30.974 > 25 27 P 0.20419418397540 0.53257167161744 0.04089465745139 30.974 > 25 28 P 0.70419418397540 0.53257167161744 0.04089465745139 30.974 > 25 29 P 0.20419418397540 0.86590500495078 0.04089465745139 30.974 > 25 30 P 0.70419418397540 0.86590500495078 0.04089465745139 30.974 > 25 31 P 0.20419418397540 0.19923833828411 0.54089465745139 30.974 > 25 32 P 0.70419418397540 0.19923833828411 0.54089465745139 30.974 > 25 33 P 0.20419418397540 0.53257167161744 0.54089465745139 30.974 > 25 34 P 0.70419418397540 0.53257167161744 0.54089465745139 30.974 > 25 35 P 0.20419418397540 0.86590500495078 0.54089465745139 30.974 > 25 36 P 0.70419418397540 0.86590500495078 0.54089465745139 30.974 > 25 37 P 0.29580581602460 0.03257167161744 0.20910534254861 30.974 > 37 38 P 0.79580581602460 0.03257167161744 0.20910534254861 30.974 > 37 39 P 0.29580581602460 0.36590500495078 0.20910534254861 30.974 > 37 40 P 0.79580581602460 0.36590500495078 0.20910534254861 30.974 > 37 41 P 0.29580581602460 0.69923833828411 0.20910534254861 30.974 > 37 42 P 0.79580581602460 0.69923833828411 0.20910534254861 30.974 > 37 43 P 0.29580581602460 0.03257167161744 0.70910534254861 30.974 > 37 44 P 0.79580581602460 0.03257167161744 0.70910534254861 30.974 > 37 45 P 0.29580581602460 0.36590500495078 0.70910534254861 30.974 > 37 46 P 0.79580581602460 0.36590500495078 0.70910534254861 30.974 > 37 47 P 0.29580581602460 0.69923833828411 0.70910534254861 30.974 > 37 48 P 0.79580581602460 0.69923833828411 0.70910534254861 30.974 > 37 49 P 0.36396788859116 0.25564186442867 0.15142653179614 30.974 > 49 50 P 0.86396788859116 0.25564186442867 0.15142653179614 30.974 > 49 51 P 0.36396788859116 0.58897519776201 0.15142653179614 30.974 > 49 52 P 0.86396788859116 0.58897519776201 0.15142653179614 30.974 > 49 53 P 0.36396788859116 0.92230853109534 0.15142653179614 30.974 > 49 54 P 0.86396788859116 0.92230853109534 0.15142653179614 30.974 > 49 55 P 0.36396788859116 0.25564186442867 0.65142653179614 30.974 > 49 56 P 0.86396788859116 0.25564186442867 0.65142653179614 30.974 > 49 57 P 0.36396788859116 0.58897519776201 0.65142653179614 30.974 > 49 58 P 0.86396788859116 0.58897519776201 0.65142653179614 30.974 > 49 59 P 0.36396788859116 0.92230853109534 0.65142653179614 30.974 > 49 60 P 0.86396788859116 0.92230853109534 0.65142653179614 30.974 > 49 61 P 0.13603211140884 0.08897519776201 0.09857346820386 30.974 > 61 62 P 0.63603211140884 0.08897519776201 0.09857346820386 30.974 > 61 63 P 0.13603211140884 0.42230853109534 0.09857346820386 30.974 > 61 64 P 0.63603211140884 0.42230853109534 0.09857346820386 30.974 > 61 65 P 0.13603211140884 0.75564186442867 0.09857346820386 30.974 > 61 66 P 0.63603211140884 0.75564186442867 0.09857346820386 30.974 > 61 67 P 0.13603211140884 0.08897519776201 0.59857346820386 30.974 > 61 68 P 0.63603211140884 0.08897519776201 0.59857346820386 30.974 > 61 69 P 0.13603211140884 0.42230853109534 0.59857346820386 30.974 > 61 70 P 0.63603211140884 0.42230853109534 0.59857346820386 30.974 > 61 71 P 0.13603211140884 0.75564186442867 0.59857346820386 30.974 > 61 72 P 0.63603211140884 0.75564186442867 0.59857346820386 30.974 > 61 73 P 0.13603211140884 0.07769146890466 0.34857346820386 30.974 > 73 74 P 0.63603211140884 0.07769146890466 0.34857346820386 30.974 > 73 75 P 0.13603211140884 0.41102480223799 0.34857346820386 30.974 > 73 76 P 0.63603211140884 0.41102480223799 0.34857346820386 30.974 > 73 77 P 0.13603211140884 0.74435813557133 0.34857346820386 30.974 > 73 78 P 0.63603211140884 0.74435813557133 0.34857346820386 30.974 > 73 79 P 0.13603211140884 0.07769146890466 0.84857346820386 30.974 > 73 80 P 0.63603211140884 0.07769146890466 0.84857346820386 30.974 > 73 81 P 0.13603211140884 0.41102480223799 0.84857346820386 30.974 > 73 82 P 0.63603211140884 0.41102480223799 0.84857346820386 30.974 > 73 83 P 0.13603211140884 0.74435813557133 0.84857346820386 30.974 > 73 84 P 0.63603211140884 0.74435813557133 0.84857346820386 30.974 > 73 85 P 0.36396788859116 0.24435813557133 0.40142653179614 30.974 > 85 86 P 0.86396788859116 0.24435813557133 0.40142653179614 30.974 > 85 87 P 0.36396788859116 0.57769146890466 0.40142653179614 30.974 > 85 88 P 0.86396788859116 0.57769146890466 0.40142653179614 30.974 > 85 89 P 0.36396788859116 0.91102480223799 0.40142653179614 30.974 > 85 90 P 0.86396788859116 0.91102480223799 0.40142653179614 30.974 > 85 91 P 0.36396788859116 0.24435813557133 0.90142653179614 30.974 > 85 92 P 0.86396788859116 0.24435813557133 0.90142653179614 30.974 > 85 93 P 0.36396788859116 0.57769146890466 0.90142653179614 30.974 > 85 94 P 0.86396788859116 0.57769146890466 0.90142653179614 30.974 > 85 95 P 0.36396788859116 0.91102480223799 0.90142653179614 30.974 > 85 96 P 0.86396788859116 0.91102480223799 0.90142653179614 30.974 > 85 97 Ag 0.42993636800044 0.01534539995978 0.05056743473724 107.868 > 97 98 Ag 0.92993636800044 0.01534539995978 0.05056743473724 107.868 > 97 99 Ag 0.42993636800044 0.34867873329312 0.05056743473724 107.868 > 97 100 Ag 0.92993636800044 0.34867873329312 0.05056743473724 107.868 > 97 101 Ag 0.42993636800044 0.68201206662645 0.05056743473724 107.868 > 97 102 Ag 0.92993636800044 0.68201206662645 0.05056743473724 107.868 > 97 103 Ag 0.42993636800044 0.01534539995978 0.55056743473724 107.868 > 97 104 Ag 0.92993636800044 0.01534539995978 0.55056743473724 107.868 > 97 105 Ag 0.42993636800044 0.34867873329312 0.55056743473724 107.868 > 97 106 Ag 0.92993636800044 0.34867873329312 0.55056743473724 107.868 > 97 107 Ag 0.42993636800044 0.68201206662645 0.55056743473724 107.868 > 97 108 Ag 0.92993636800044 0.68201206662645 0.55056743473724 107.868 > 97 109 Ag 0.07006363199956 0.18201206662645 0.19943256526276 107.868 > 109 110 Ag 0.57006363199956 0.18201206662645 0.19943256526276 107.868 > 109 111 Ag 0.07006363199956 0.51534539995978 0.19943256526276 107.868 > 109 112 Ag 0.57006363199956 0.51534539995978 0.19943256526276 107.868 > 109 113 Ag 0.07006363199956 0.84867873329312 0.19943256526276 107.868 > 109 114 Ag 0.57006363199956 0.84867873329312 0.19943256526276 107.868 > 109 115 Ag 0.07006363199956 0.18201206662645 0.69943256526276 107.868 > 109 116 Ag 0.57006363199956 0.18201206662645 0.69943256526276 107.868 > 109 117 Ag 0.07006363199956 0.51534539995978 0.69943256526276 107.868 > 109 118 Ag 0.57006363199956 0.51534539995978 0.69943256526276 107.868 > 109 119 Ag 0.07006363199956 0.84867873329312 0.69943256526276 107.868 > 109 120 Ag 0.57006363199956 0.84867873329312 0.69943256526276 107.868 > 109 121 Ag 0.07006363199956 0.31798793337355 0.44943256526276 107.868 > 121 122 Ag 0.57006363199956 0.31798793337355 0.44943256526276 107.868 > 121 123 Ag 0.07006363199956 0.65132126670688 0.44943256526276 107.868 > 121 124 Ag 0.57006363199956 0.65132126670688 0.44943256526276 107.868 > 121 125 Ag 0.07006363199956 0.98465460004022 0.44943256526276 107.868 > 121 126 Ag 0.57006363199956 0.98465460004022 0.44943256526276 107.868 > 121 127 Ag 0.07006363199956 0.31798793337355 0.94943256526276 107.868 > 121 128 Ag 0.57006363199956 0.31798793337355 0.94943256526276 107.868 > 121 129 Ag 0.07006363199956 0.65132126670688 0.94943256526276 107.868 > 121 130 Ag 0.57006363199956 0.65132126670688 0.94943256526276 107.868 > 121 131 Ag 0.07006363199956 0.98465460004022 0.94943256526276 107.868 > 121 132 Ag 0.57006363199956 0.98465460004022 0.94943256526276 107.868 > 121 133 Ag 0.42993636800044 0.15132126670688 0.30056743473724 107.868 > 133 134 Ag 0.92993636800044 0.15132126670688 0.30056743473724 107.868 > 133 135 Ag 0.42993636800044 0.48465460004022 0.30056743473724 107.868 > 133 136 Ag 0.92993636800044 0.48465460004022 0.30056743473724 107.868 > 133 137 Ag 0.42993636800044 0.81798793337355 0.30056743473724 107.868 > 133 138 Ag 0.92993636800044 0.81798793337355 0.30056743473724 107.868 > 133 139 Ag 0.42993636800044 0.15132126670688 0.80056743473724 107.868 > 133 140 Ag 0.92993636800044 0.15132126670688 0.80056743473724 107.868 > 133 141 Ag 0.42993636800044 0.48465460004022 0.80056743473724 107.868 > 133 142 Ag 0.92993636800044 0.48465460004022 0.80056743473724 107.868 > 133 143 Ag 0.42993636800044 0.81798793337355 0.80056743473724 107.868 > 133 144 Ag 0.92993636800044 0.81798793337355 0.80056743473724 107.868 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 14.6868600 0.0000000 0.2680972 0.0000000 18.9135848 0.0000000 0.2680967 0.0000000 16.0145798 -------------------------- Born effective charges -------------------------- 1 P 0.0688171 0.4565150 -0.4467933 0.3611907 0.6914608 -0.1279548 -0.3702518 -0.1835942 0.1945426 2 P 0.0688171 -0.4565150 -0.4467933 -0.3611907 0.6914608 0.1279548 -0.3702518 0.1835942 0.1945426 3 P 0.0688171 0.4565150 -0.4467933 0.3611907 0.6914608 -0.1279548 -0.3702518 -0.1835942 0.1945426 4 P 0.0688171 -0.4565150 -0.4467933 -0.3611907 0.6914608 0.1279548 -0.3702518 0.1835942 0.1945426 5 P -0.5911213 0.0634649 0.1906257 -0.2929397 -1.2767867 -0.2484710 0.3069712 -0.1200676 -0.6965385 6 P -0.5911213 -0.0634649 0.1906257 0.2929397 -1.2767867 0.2484710 0.3069712 0.1200676 -0.6965385 7 P -0.5911213 0.0634649 0.1906257 -0.2929397 -1.2767867 -0.2484710 0.3069712 -0.1200676 -0.6965385 8 P -0.5911213 -0.0634649 0.1906257 0.2929397 -1.2767867 0.2484710 0.3069712 0.1200676 -0.6965385 9 Ag 0.5223042 0.0664264 0.2561676 0.5402552 0.5853259 0.2730747 0.0632806 0.0922906 0.5019960 10 Ag 0.5223042 -0.0664264 0.2561676 -0.5402552 0.5853259 -0.2730747 0.0632806 -0.0922906 0.5019960 11 Ag 0.5223042 0.0664264 0.2561676 0.5402552 0.5853259 0.2730747 0.0632806 0.0922906 0.5019960 12 Ag 0.5223042 -0.0664264 0.2561676 -0.5402552 0.5853259 -0.2730747 0.0632806 -0.0922906 0.5019960 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 10 7 ] 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: 0.69, Number of G-points: 307, Lambda: 0.29 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/192) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.681 ( 0.000 0.000 0.000) 0.000 1.773 ( 0.000 0.000 0.000) 0.000 2.024 ( 0.000 0.000 0.000) 0.000 2.113 ( 0.000 0.000 0.000) 0.000 2.260 ( 0.000 0.000 0.000) 0.000 2.501 ( 0.000 0.000 0.000) 0.000 2.587 ( 0.000 0.000 0.000) 0.000 3.396 ( 0.000 0.000 0.000) 0.000 3.528 ( 0.000 0.000 0.000) 0.000 3.601 ( 0.000 0.000 0.000) 0.000 3.811 ( 0.000 0.000 0.000) 0.000 4.653 ( 0.000 0.000 0.000) 0.000 4.937 ( 0.000 0.000 0.000) 0.000 5.837 ( 0.000 0.000 0.000) 0.000 6.205 ( 0.000 0.000 0.000) 0.000 7.485 ( 0.000 0.000 0.000) 0.000 7.515 ( 0.000 0.000 0.000) 0.000 7.570 ( 0.000 0.000 0.000) 0.000 7.911 ( 0.000 0.000 0.000) 0.000 8.113 ( 0.000 0.000 0.000) 0.000 8.355 ( 0.000 0.000 0.000) 0.000 8.589 ( 0.000 0.000 0.000) 0.000 8.914 ( 0.000 0.000 0.000) 0.000 11.844 ( 0.000 0.000 0.000) 0.000 12.075 ( 0.000 0.000 0.000) 0.000 12.792 ( 0.000 0.000 0.000) 0.000 12.817 ( 0.000 0.000 0.000) 0.000 12.862 ( 0.000 0.000 0.000) 0.000 13.059 ( 0.000 0.000 0.000) 0.000 13.110 ( 0.000 0.000 0.000) 0.000 13.359 ( 0.000 0.000 0.000) 0.000 13.538 ( 0.000 0.000 0.000) 0.000 14.046 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/192) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.275 ( 18.725 0.000 -9.078) 20.810 0.441 ( 26.100 0.000 -5.328) 26.638 0.983 ( 41.247 0.000 18.785) 45.323 1.723 ( 3.725 0.000 1.089) 3.881 1.795 ( 2.273 0.000 0.727) 2.386 2.031 ( 0.338 0.000 0.968) 1.025 2.098 ( -1.430 0.000 -0.662) 1.575 2.275 ( 1.572 0.000 -0.059) 1.573 2.483 ( -1.535 0.000 -0.844) 1.752 2.589 ( 0.783 0.000 -1.040) 1.302 3.357 ( -6.502 0.000 6.380) 9.109 3.524 ( 0.735 0.000 -2.631) 2.731 3.665 ( 6.164 0.000 -3.291) 6.988 3.815 ( -0.364 0.000 2.180) 2.210 4.701 ( 3.012 0.000 -3.495) 4.614 5.007 ( 2.932 0.000 8.708) 9.188 5.848 ( 1.254 0.000 -0.676) 1.425 6.095 ( -8.494 0.000 -6.923) 10.958 7.480 ( -2.880 0.000 4.345) 5.213 7.501 ( 0.686 0.000 -3.996) 4.055 7.514 ( -4.478 0.000 -2.061) 4.930 7.927 ( 0.339 0.000 0.334) 0.476 8.147 ( 2.790 0.000 1.560) 3.197 8.364 ( 0.683 0.000 0.646) 0.940 8.566 ( -1.458 0.000 -1.854) 2.358 8.889 ( -2.170 0.000 -1.214) 2.486 11.881 ( 2.461 0.000 3.208) 4.043 12.039 ( -3.382 0.000 -1.179) 3.582 12.812 ( 1.542 0.000 -1.421) 2.097 12.819 ( 0.028 0.000 0.315) 0.316 12.873 ( 1.166 0.000 0.066) 1.167 13.040 ( -1.886 0.000 1.158) 2.213 13.133 ( 2.466 0.000 -1.608) 2.944 13.344 ( -1.350 0.000 -0.338) 1.391 13.517 ( -1.440 0.000 -1.980) 2.448 14.048 ( 0.107 0.000 0.279) 0.299 ======================= Grid point 2 (3/192) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 16.468 0.000 -5.892) 17.490 0.850 ( 23.530 0.000 -5.627) 24.194 1.615 ( 10.080 0.000 8.403) 13.124 1.805 ( 3.778 0.000 0.021) 3.778 1.966 ( 16.001 0.000 3.225) 16.323 2.049 ( -3.026 0.000 -1.490) 3.373 2.069 ( 6.257 0.000 2.688) 6.810 2.309 ( 2.031 0.000 -0.283) 2.050 2.441 ( -1.914 0.000 -0.989) 2.155 2.601 ( 1.600 0.000 -1.266) 2.041 3.275 ( -8.905 0.000 8.316) 12.184 3.513 ( 1.082 0.000 -4.172) 4.310 3.762 ( 6.808 0.000 -3.237) 7.538 3.836 ( 0.166 0.000 3.778) 3.781 4.782 ( 9.549 0.000 -3.903) 10.316 5.145 ( 2.099 0.000 12.955) 13.124 5.781 ( -10.890 0.000 -11.215) 15.632 5.906 ( -0.606 0.000 -0.642) 0.883 7.403 ( -5.340 0.000 -2.311) 5.819 7.433 ( -4.318 0.000 1.666) 4.628 7.499 ( 0.924 0.000 -1.020) 1.377 7.931 ( -0.081 0.000 0.073) 0.109 8.222 ( 3.477 0.000 2.085) 4.054 8.389 ( 1.214 0.000 1.157) 1.677 8.518 ( -1.513 0.000 -2.584) 2.994 8.821 ( -3.813 0.000 -1.961) 4.288 11.943 ( -5.470 0.000 -1.980) 5.817 11.972 ( 3.609 0.000 4.737) 5.955 12.820 ( -0.258 0.000 0.292) 0.389 12.831 ( 1.039 0.000 0.045) 1.040 12.899 ( 1.518 0.000 -0.055) 1.519 13.023 ( -1.101 0.000 1.941) 2.232 13.160 ( 2.101 0.000 -2.614) 3.353 13.310 ( -2.110 0.000 -0.083) 2.112 13.465 ( -1.764 0.000 -3.180) 3.636 14.054 ( 0.248 0.000 0.499) 0.557 ======================= Grid point 3 (4/192) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 14.016 0.000 -1.375) 14.083 1.195 ( 19.310 0.000 -5.782) 20.157 1.681 ( -3.098 0.000 4.202) 5.220 1.808 ( -3.225 0.000 -3.209) 4.550 1.988 ( -1.214 0.000 -1.768) 2.145 2.059 ( 0.824 0.000 1.762) 1.946 2.329 ( 0.147 0.000 -0.366) 0.394 2.418 ( 0.339 0.000 -0.295) 0.450 2.436 ( 18.731 0.000 -0.009) 18.731 2.631 ( 2.272 0.000 0.436) 2.313 3.170 ( -9.602 0.000 8.046) 12.528 3.501 ( 1.106 0.000 -3.481) 3.652 3.846 ( 4.590 0.000 -2.121) 5.057 3.880 ( 1.080 0.000 3.815) 3.965 4.969 ( 14.211 0.000 -5.914) 15.392 5.268 ( -1.214 0.000 14.944) 14.993 5.457 ( -12.240 0.000 -10.721) 16.271 5.927 ( 1.540 0.000 -0.045) 1.541 7.301 ( -3.906 0.000 -1.635) 4.234 7.367 ( -3.611 0.000 0.474) 3.642 7.510 ( 0.583 0.000 0.158) 0.604 7.928 ( -0.093 0.000 -0.099) 0.136 8.292 ( 2.432 0.000 1.462) 2.838 8.423 ( 1.347 0.000 1.347) 1.905 8.483 ( -0.199 0.000 -1.861) 1.872 8.729 ( -4.255 0.000 -1.957) 4.684 11.826 ( -5.196 0.000 -1.963) 5.555 12.070 ( 3.004 0.000 3.996) 4.999 12.814 ( -0.550 0.000 0.105) 0.559 12.845 ( 0.286 0.000 0.175) 0.335 12.922 ( 1.143 0.000 -0.334) 1.191 13.033 ( 0.096 0.000 2.803) 2.805 13.164 ( 0.963 0.000 -3.387) 3.521 13.274 ( -1.846 0.000 0.551) 1.926 13.413 ( -1.011 0.000 -2.940) 3.109 14.064 ( 0.295 0.000 0.509) 0.588 ======================= Grid point 4 (5/192) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 7.656 0.000 1.151) 7.742 1.451 ( 13.866 0.000 -5.393) 14.878 1.613 ( -8.247 0.000 4.586) 9.436 1.679 ( -5.184 0.000 -3.109) 6.045 1.973 ( 0.166 0.000 -0.861) 0.876 2.080 ( 0.295 0.000 0.803) 0.856 2.320 ( -0.429 0.000 -0.137) 0.450 2.433 ( 0.771 0.000 0.031) 0.772 2.620 ( 3.664 0.000 -2.358) 4.357 2.717 ( 5.411 0.000 0.543) 5.438 3.071 ( -5.874 0.000 4.429) 7.357 3.498 ( 0.547 0.000 -1.252) 1.367 3.890 ( 1.544 0.000 -0.726) 1.706 3.922 ( 0.764 0.000 1.717) 1.879 5.143 ( 8.472 0.000 -5.734) 10.230 5.229 ( -5.112 0.000 -4.367) 6.723 5.329 ( -2.728 0.000 9.529) 9.912 5.947 ( 0.624 0.000 -0.057) 0.626 7.243 ( -1.396 0.000 -0.583) 1.513 7.321 ( -1.417 0.000 0.098) 1.421 7.519 ( 0.219 0.000 0.164) 0.274 7.927 ( -0.013 0.000 -0.055) 0.057 8.330 ( 0.855 0.000 0.477) 0.979 8.451 ( 0.605 0.000 0.637) 0.879 8.480 ( 0.600 0.000 -0.524) 0.797 8.652 ( -2.305 0.000 -0.934) 2.487 11.744 ( -2.174 0.000 -0.844) 2.332 12.131 ( 1.137 0.000 1.532) 1.908 12.806 ( -0.299 0.000 0.015) 0.299 12.846 ( -0.088 0.000 -0.002) 0.089 12.935 ( 0.425 0.000 -0.197) 0.469 13.063 ( 0.503 0.000 2.289) 2.344 13.145 ( -0.027 0.000 -2.521) 2.521 13.255 ( -0.695 0.000 0.427) 0.816 13.385 ( -0.247 0.000 -1.205) 1.230 14.071 ( 0.134 0.000 0.218) 0.256 ======================= Grid point 9 (6/192) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.233 ( 0.000 14.615 0.000) 14.615 0.645 ( 0.000 29.760 0.000) 29.760 0.894 ( 0.000 40.387 0.000) 40.387 1.717 ( 0.000 2.939 0.000) 2.939 1.833 ( 0.000 6.217 0.000) 6.217 2.028 ( 0.000 -0.287 0.000) 0.287 2.164 ( 0.000 2.988 0.000) 2.988 2.260 ( 0.000 -0.568 0.000) 0.568 2.486 ( 0.000 -1.354 0.000) 1.354 2.573 ( 0.000 -1.419 0.000) 1.419 3.406 ( 0.000 1.176 0.000) 1.176 3.540 ( 0.000 -0.121 0.000) 0.121 3.656 ( 0.000 5.296 0.000) 5.296 3.815 ( 0.000 0.401 0.000) 0.401 4.678 ( 0.000 2.382 0.000) 2.382 4.873 ( 0.000 -5.807 0.000) 5.807 5.853 ( 0.000 1.340 0.000) 1.340 6.173 ( 0.000 -2.930 0.000) 2.930 7.419 ( 0.000 -7.126 0.000) 7.126 7.454 ( 0.000 -2.980 0.000) 2.980 7.676 ( 0.000 6.330 0.000) 6.330 7.977 ( 0.000 5.846 0.000) 5.846 8.132 ( 0.000 2.049 0.000) 2.049 8.360 ( 0.000 0.582 0.000) 0.582 8.619 ( 0.000 -1.100 0.000) 1.100 8.885 ( 0.000 -2.816 0.000) 2.816 11.853 ( 0.000 0.690 0.000) 0.690 12.110 ( 0.000 3.200 0.000) 3.200 12.764 ( 0.000 -2.791 0.000) 2.791 12.794 ( 0.000 -2.335 0.000) 2.335 12.865 ( 0.000 0.273 0.000) 0.273 13.105 ( 0.000 -0.596 0.000) 0.596 13.148 ( 0.000 0.210 0.000) 0.210 13.377 ( 0.000 2.021 0.000) 2.021 13.486 ( 0.000 -4.562 0.000) 4.562 14.076 ( 0.000 2.361 0.000) 2.361 ======================= Grid point 10 (7/192) ======================= q-point: ( 0.11 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 1.347 23.907 8.459) 25.395 0.739 ( 21.311 11.480 7.720) 25.407 1.147 ( 24.377 20.320 -0.490) 31.739 1.773 ( 5.600 3.980 1.020) 6.946 1.845 ( 1.813 5.534 -0.281) 5.830 2.024 ( -0.406 -0.778 -0.128) 0.887 2.155 ( -0.651 4.741 -0.012) 4.786 2.274 ( 1.408 -0.208 0.328) 1.461 2.471 ( -0.892 -1.032 -0.930) 1.651 2.579 ( 0.787 -1.060 -0.521) 1.420 3.367 ( -6.084 1.246 5.500) 8.296 3.534 ( 0.765 0.982 -2.263) 2.583 3.705 ( 5.385 4.138 -2.564) 7.259 3.820 ( -0.079 0.548 1.970) 2.047 4.691 ( 3.645 0.171 -4.346) 5.675 4.944 ( 2.550 -5.327 9.713) 11.368 5.870 ( 1.713 2.029 0.172) 2.661 6.066 ( -8.344 -2.662 -6.682) 11.016 7.389 ( -2.695 -6.283 -0.536) 6.857 7.459 ( -0.017 -2.501 1.088) 2.727 7.637 ( -2.815 6.901 -2.188) 7.767 7.975 ( -0.292 4.731 0.076) 4.741 8.163 ( 2.576 1.723 1.161) 3.310 8.370 ( 0.953 0.819 0.522) 1.361 8.583 ( -2.273 0.160 -1.826) 2.920 8.863 ( -1.913 -2.548 -1.102) 3.371 11.883 ( 1.832 0.353 2.673) 3.260 12.080 ( -2.517 3.805 -0.933) 4.657 12.782 ( 1.054 -3.115 0.626) 3.347 12.793 ( 0.330 -2.096 -0.363) 2.153 12.874 ( 1.069 0.090 -0.182) 1.088 13.073 ( -2.939 0.905 1.054) 3.251 13.148 ( 1.674 0.931 -2.195) 2.913 13.359 ( -2.034 1.646 0.572) 2.679 13.475 ( -0.214 -3.560 -2.349) 4.271 14.074 ( -0.134 2.076 -0.032) 2.080 ======================= Grid point 11 (8/192) ======================= q-point: ( 0.22 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 8.386 18.678 4.520) 20.968 1.087 ( 17.833 16.679 -6.335) 25.226 1.548 ( 11.617 -4.511 7.018) 14.302 1.845 ( 0.696 4.237 0.871) 4.381 1.992 ( 11.087 2.355 1.264) 11.405 2.006 ( 0.637 -1.706 -1.244) 2.206 2.148 ( 1.226 4.197 -1.513) 4.626 2.307 ( 1.282 -0.440 0.313) 1.391 2.465 ( 1.724 2.429 -0.056) 2.980 2.594 ( 1.490 -0.748 -0.718) 1.815 3.286 ( -8.339 1.368 7.448) 11.264 3.535 ( 1.786 2.583 -3.592) 4.771 3.778 ( 3.791 1.375 -0.903) 4.132 3.853 ( 2.087 1.917 1.822) 3.369 4.763 ( 8.915 -1.980 -5.671) 10.750 5.082 ( 1.578 -5.127 14.072) 15.060 5.782 ( -12.108 -0.457 -11.264) 16.543 5.929 ( 2.001 2.554 1.341) 3.510 7.322 ( -3.695 -4.977 -1.164) 6.307 7.465 ( -1.340 -0.414 2.418) 2.796 7.562 ( -2.306 6.151 -3.184) 7.300 7.968 ( -0.479 3.651 0.128) 3.685 8.229 ( 3.037 0.823 1.694) 3.573 8.401 ( 1.661 1.327 0.995) 2.347 8.528 ( -1.685 0.547 -2.291) 2.896 8.802 ( -3.393 -1.807 -1.720) 4.211 11.922 ( -1.405 -0.438 0.970) 1.763 12.041 ( 0.076 5.132 1.369) 5.313 12.777 ( -0.822 -3.752 -0.364) 3.859 12.824 ( 1.761 -1.079 0.931) 2.266 12.898 ( 1.616 -0.178 -0.325) 1.658 13.045 ( -1.372 1.270 1.895) 2.662 13.162 ( 1.646 0.267 -2.612) 3.099 13.320 ( -2.804 1.230 1.122) 3.261 13.443 ( -0.538 -1.767 -3.675) 4.113 14.073 ( 0.040 1.500 0.130) 1.506 ======================= Grid point 12 (9/192) ======================= q-point: ( 0.33 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 10.483 15.487 3.163) 18.967 1.325 ( 14.689 10.091 -7.386) 19.291 1.685 ( 0.511 -0.124 4.448) 4.479 1.824 ( -3.512 2.568 -2.559) 5.048 1.967 ( -0.989 -1.401 0.297) 1.741 2.087 ( -1.005 1.836 -0.325) 2.118 2.271 ( 7.766 -6.349 -0.214) 10.033 2.317 ( 1.423 -1.345 -0.497) 2.021 2.546 ( 6.673 3.518 -1.792) 7.754 2.626 ( 2.237 -0.565 0.887) 2.472 3.189 ( -8.435 2.151 6.986) 11.161 3.540 ( 1.817 4.141 -3.178) 5.527 3.834 ( 2.313 -0.551 1.521) 2.823 3.905 ( 2.056 1.958 0.366) 2.862 4.907 ( 11.468 -6.129 -6.995) 14.765 5.207 ( -0.740 -4.539 14.562) 15.271 5.472 ( -10.997 1.332 -9.493) 14.589 5.983 ( 2.339 4.838 1.108) 5.487 7.249 ( -3.057 -3.705 -1.013) 4.909 7.430 ( -3.401 4.367 0.643) 5.573 7.534 ( 0.797 2.346 -0.928) 2.646 7.962 ( -0.292 3.333 0.160) 3.349 8.287 ( 1.930 -0.214 1.235) 2.301 8.441 ( 1.641 1.775 1.201) 2.699 8.495 ( -0.019 1.010 -1.777) 2.044 8.721 ( -3.833 -0.835 -1.609) 4.241 11.852 ( -4.162 2.419 -1.533) 5.052 12.099 ( 2.491 2.968 3.185) 5.015 12.756 ( -0.965 -4.320 -0.574) 4.463 12.860 ( 1.134 0.151 1.286) 1.721 12.922 ( 1.356 -0.096 -0.701) 1.530 13.052 ( -0.053 1.076 2.928) 3.120 13.159 ( 0.645 -0.140 -3.436) 3.499 13.283 ( -2.280 1.138 1.396) 2.905 13.404 ( -0.438 -0.733 -3.442) 3.546 14.078 ( 0.247 1.109 0.274) 1.168 ======================= Grid point 13 (10/192) ======================= q-point: ( 0.44 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 6.712 14.419 2.454) 16.093 1.493 ( 8.162 1.570 -4.063) 9.251 1.681 ( -2.922 3.273 0.849) 4.469 1.697 ( -5.409 6.408 -1.339) 8.492 1.974 ( 0.466 -0.044 0.350) 0.584 2.063 ( -0.672 -1.991 -0.490) 2.158 2.298 ( -0.219 -2.059 0.143) 2.076 2.390 ( 2.582 -3.088 0.216) 4.032 2.616 ( 2.513 -0.714 -1.881) 3.220 2.687 ( 2.640 -3.137 0.365) 4.117 3.108 ( -4.306 3.736 3.346) 6.610 3.549 ( 0.846 4.983 -1.158) 5.185 3.883 ( 1.645 -0.468 1.184) 2.080 3.923 ( -0.089 -0.025 -0.244) 0.261 5.025 ( 5.472 -10.462 -4.060) 12.485 5.225 ( -3.962 -0.412 -0.149) 3.986 5.329 ( -1.262 0.389 3.537) 3.775 6.020 ( 0.905 6.092 0.408) 6.172 7.204 ( -1.151 -2.992 -0.383) 3.229 7.384 ( -1.421 5.264 -0.066) 5.453 7.548 ( 0.558 2.288 0.049) 2.356 7.960 ( -0.084 3.301 0.068) 3.303 8.317 ( 0.614 -0.934 0.435) 1.199 8.469 ( 0.506 1.526 0.519) 1.689 8.497 ( 0.918 1.836 -0.584) 2.134 8.653 ( -2.121 -0.084 -0.689) 2.232 11.784 ( -1.828 3.790 -0.754) 4.275 12.151 ( 1.002 2.075 1.283) 2.637 12.738 ( -0.439 -4.594 -0.289) 4.624 12.883 ( 0.370 1.454 0.811) 1.705 12.933 ( 0.483 -0.139 -0.628) 0.804 13.085 ( 0.636 1.208 3.587) 3.838 13.132 ( -0.347 -0.688 -3.753) 3.831 13.263 ( -0.866 1.105 0.705) 1.571 13.378 ( -0.121 -0.541 -1.439) 1.542 14.084 ( 0.144 0.996 0.145) 1.017 ======================= Grid point 18 (11/192) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 0.000 19.616 0.000) 19.616 1.148 ( 0.000 20.240 0.000) 20.240 1.509 ( 0.000 19.633 0.000) 19.633 1.775 ( 0.000 2.729 0.000) 2.729 1.995 ( 0.000 -2.761 0.000) 2.761 2.010 ( 0.000 10.605 0.000) 10.605 2.231 ( 0.000 -0.966 0.000) 0.966 2.310 ( 0.000 9.148 0.000) 9.148 2.456 ( 0.000 -1.419 0.000) 1.419 2.528 ( 0.000 -3.041 0.000) 3.041 3.455 ( 0.000 4.010 0.000) 4.010 3.581 ( 0.000 5.891 0.000) 5.891 3.796 ( 0.000 6.490 0.000) 6.490 3.832 ( 0.000 3.362 0.000) 3.362 4.736 ( 0.000 3.013 0.000) 3.013 4.741 ( 0.000 -6.517 0.000) 6.517 5.893 ( 0.000 2.658 0.000) 2.658 6.102 ( 0.000 -3.859 0.000) 3.859 7.259 ( 0.000 -8.741 0.000) 8.741 7.373 ( 0.000 -4.868 0.000) 4.868 7.809 ( 0.000 7.063 0.000) 7.063 8.094 ( 0.000 4.519 0.000) 4.519 8.206 ( 0.000 5.510 0.000) 5.510 8.379 ( 0.000 1.225 0.000) 1.225 8.584 ( 0.000 -2.320 0.000) 2.320 8.810 ( 0.000 -4.491 0.000) 4.491 11.882 ( 0.000 2.303 0.000) 2.303 12.192 ( 0.000 4.794 0.000) 4.794 12.673 ( 0.000 -6.417 0.000) 6.417 12.735 ( 0.000 -3.218 0.000) 3.218 12.869 ( 0.000 0.109 0.000) 0.109 13.081 ( 0.000 -2.068 0.000) 2.068 13.154 ( 0.000 0.502 0.000) 0.502 13.391 ( 0.000 -4.266 0.000) 4.266 13.444 ( 0.000 4.678 0.000) 4.678 14.112 ( 0.000 0.738 0.000) 0.738 ======================= Grid point 19 (12/192) ======================= q-point: ( 0.11 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 16.346 8.267 11.779) 21.778 1.120 ( -2.066 19.251 4.772) 19.941 1.540 ( 2.726 13.731 -3.151) 14.349 1.849 ( 7.520 3.333 -0.388) 8.235 1.984 ( -0.219 -0.559 -1.169) 1.314 2.023 ( 1.406 8.703 -0.617) 8.838 2.227 ( -0.449 -0.428 -0.531) 0.817 2.314 ( 0.106 5.074 -0.963) 5.166 2.462 ( 1.659 1.078 0.028) 1.979 2.543 ( 0.960 -2.561 0.728) 2.830 3.419 ( -5.044 4.241 3.441) 7.435 3.601 ( 2.688 7.237 -1.375) 7.841 3.799 ( -0.500 2.681 0.976) 2.897 3.862 ( 3.514 5.952 -0.715) 6.949 4.681 ( 2.493 -2.313 -8.461) 9.119 4.854 ( 1.894 -2.263 12.796) 13.132 5.922 ( 2.292 3.008 1.850) 4.210 6.004 ( -7.653 -3.176 -6.001) 10.231 7.246 ( -1.276 -7.899 -0.276) 8.006 7.389 ( 1.393 -4.319 0.779) 4.604 7.781 ( -2.437 7.475 -1.582) 8.020 8.082 ( -1.111 4.972 -0.126) 5.096 8.220 ( 1.446 3.989 0.532) 4.277 8.397 ( 1.548 1.647 0.578) 2.333 8.565 ( -1.343 -1.696 -1.280) 2.514 8.794 ( -1.262 -4.078 -0.835) 4.350 11.904 ( 1.307 1.946 1.880) 3.005 12.176 ( -1.056 5.528 -0.784) 5.682 12.682 ( 0.321 -6.686 0.170) 6.696 12.746 ( 1.462 -2.663 0.119) 3.040 12.875 ( 0.712 -0.118 -0.321) 0.790 13.066 ( -1.389 -1.524 0.279) 2.081 13.162 ( 0.927 0.638 -0.489) 1.226 13.379 ( -3.373 -2.064 4.996) 6.372 13.441 ( 2.068 3.140 -5.656) 6.791 14.105 ( -0.389 0.560 -0.570) 0.889 ======================= Grid point 20 (13/192) ======================= q-point: ( 0.22 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 5.164 12.078 5.755) 14.341 1.296 ( 14.247 5.404 6.190) 16.447 1.551 ( 1.642 4.898 -1.365) 5.343 1.952 ( 0.666 4.653 2.316) 5.240 1.973 ( 0.319 -1.618 -2.496) 2.991 2.080 ( 6.538 6.859 -0.804) 9.510 2.195 ( -1.341 0.346 -3.786) 4.031 2.292 ( -0.983 -0.663 -0.930) 1.507 2.519 ( 3.481 1.734 -0.127) 3.891 2.568 ( 1.309 -1.876 0.682) 2.387 3.344 ( -6.524 4.732 4.842) 9.402 3.645 ( 4.212 9.214 -4.521) 11.094 3.804 ( -1.047 1.195 4.829) 5.084 3.923 ( 3.631 5.196 -1.650) 6.550 4.693 ( 5.623 -4.873 -7.577) 10.620 4.998 ( 1.802 -2.662 14.303) 14.659 5.763 ( -11.121 -0.987 -9.114) 14.412 5.998 ( 3.589 3.791 3.071) 6.057 7.210 ( -2.111 -6.076 -0.700) 6.471 7.433 ( 2.329 -2.570 1.541) 3.795 7.703 ( -3.820 7.639 -2.973) 9.044 8.062 ( -1.129 5.204 0.645) 5.364 8.260 ( 1.932 2.248 1.050) 3.144 8.438 ( 2.121 1.960 0.967) 3.046 8.530 ( -0.635 -0.248 -2.020) 2.132 8.753 ( -2.323 -2.912 -1.133) 3.894 11.934 ( -0.132 1.677 1.206) 2.069 12.162 ( 0.323 6.833 0.165) 6.843 12.675 ( -0.669 -6.284 -0.668) 6.355 12.791 ( 2.622 -2.148 1.110) 3.566 12.890 ( 1.332 -0.634 -0.541) 1.571 13.048 ( -0.965 -1.112 0.947) 1.751 13.173 ( 0.893 0.962 -1.040) 1.675 13.352 ( -4.300 0.981 6.083) 7.513 13.427 ( 2.001 1.519 -7.280) 7.701 14.094 ( -0.207 0.129 -0.621) 0.667 ======================= Grid point 21 (14/192) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 7.921 11.380 4.917) 14.712 1.477 ( 4.664 4.361 -4.449) 7.782 1.646 ( 5.786 -2.903 5.169) 8.283 1.937 ( -1.679 1.983 -2.372) 3.518 1.953 ( -1.214 5.069 1.490) 5.421 2.103 ( -3.463 -0.209 -3.299) 4.788 2.215 ( 5.550 0.954 -0.227) 5.636 2.285 ( 1.237 -1.752 -0.332) 2.171 2.558 ( 1.845 -2.156 -2.063) 3.508 2.600 ( 1.134 -2.276 0.857) 2.684 3.269 ( -5.539 5.999 4.314) 9.235 3.670 ( 3.189 8.066 -5.576) 10.311 3.841 ( -0.238 2.240 6.626) 6.999 3.952 ( 1.130 2.861 -2.500) 3.964 4.749 ( 5.946 -8.578 -6.046) 12.062 5.132 ( 1.155 -3.007 11.804) 12.236 5.504 ( -8.962 1.972 -7.575) 11.899 6.086 ( 3.156 4.665 2.740) 6.263 7.166 ( -1.897 -4.316 -0.657) 4.760 7.490 ( 2.013 0.660 1.807) 2.784 7.614 ( -2.769 6.041 -2.902) 7.251 8.053 ( -0.588 5.397 0.930) 5.508 8.296 ( 0.998 1.230 0.972) 1.858 8.477 ( 1.001 0.868 0.921) 1.613 8.526 ( 2.099 2.557 -1.797) 3.765 8.697 ( -2.892 -1.432 -0.762) 3.315 11.914 ( -1.836 3.667 -0.547) 4.137 12.190 ( 1.599 6.157 1.346) 6.502 12.655 ( -0.815 -5.726 -0.803) 5.840 12.846 ( 2.092 -1.490 1.542) 2.996 12.911 ( 1.461 -1.044 -0.788) 1.961 13.048 ( -0.170 -1.483 1.646) 2.222 13.174 ( 0.276 1.654 -1.643) 2.348 13.326 ( -3.561 2.767 5.445) 7.070 13.399 ( 1.194 0.835 -6.743) 6.899 14.091 ( 0.222 -0.244 -0.277) 0.430 ======================= Grid point 22 (15/192) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 7.384 11.282 4.165) 14.112 1.498 ( 1.289 0.205 -1.811) 2.233 1.679 ( -3.766 -1.557 -1.925) 4.507 1.920 ( 1.069 10.249 -0.669) 10.326 1.954 ( 0.465 -1.926 2.583) 3.256 2.019 ( -2.589 -0.673 -3.286) 4.237 2.259 ( 0.232 -1.338 0.582) 1.478 2.344 ( 3.035 -1.604 0.452) 3.463 2.558 ( -0.015 -5.930 -1.335) 6.079 2.618 ( 0.522 -2.753 0.142) 2.805 3.220 ( -2.269 7.485 1.784) 8.022 3.682 ( 1.518 7.009 -2.348) 7.546 3.887 ( -0.133 1.903 5.723) 6.032 3.929 ( -0.337 1.259 -4.082) 4.285 4.794 ( 2.469 -11.105 -2.400) 11.626 5.210 ( 0.232 -2.088 4.007) 4.525 5.352 ( -3.052 2.801 -2.243) 4.711 6.143 ( 1.216 5.215 1.066) 5.460 7.138 ( -0.738 -3.267 -0.247) 3.359 7.511 ( -0.458 6.913 0.311) 6.935 7.580 ( 0.373 0.677 -0.635) 1.001 8.052 ( -0.185 5.417 0.367) 5.432 8.313 ( 0.286 1.015 0.497) 1.166 8.492 ( 0.376 0.610 0.155) 0.733 8.559 ( 1.946 4.019 -0.798) 4.536 8.646 ( -2.053 -0.583 0.003) 2.134 11.881 ( -0.933 5.577 -0.444) 5.672 12.222 ( 0.701 5.208 0.632) 5.293 12.638 ( -0.364 -5.382 -0.345) 5.405 12.886 ( 0.917 -1.158 1.150) 1.872 12.924 ( 0.542 -0.961 -0.840) 1.386 13.062 ( 0.178 -2.577 1.231) 2.861 13.161 ( -0.142 2.897 -1.179) 3.131 13.312 ( -1.517 3.871 2.756) 4.988 13.372 ( 0.498 0.058 -3.332) 3.369 14.094 ( 0.187 -0.372 -0.040) 0.419 ======================= Grid point 27 (16/192) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 0.000 19.897 0.000) 19.897 1.462 ( 0.000 11.909 0.000) 11.909 1.717 ( 0.000 3.710 0.000) 3.710 1.826 ( 0.000 2.550 0.000) 2.550 1.931 ( 0.000 -3.548 0.000) 3.548 2.195 ( 0.000 -2.322 0.000) 2.322 2.208 ( 0.000 8.077 0.000) 8.077 2.394 ( 0.000 -3.298 0.000) 3.298 2.434 ( 0.000 -0.730 0.000) 0.730 2.511 ( 0.000 2.031 0.000) 2.031 3.555 ( 0.000 5.646 0.000) 5.646 3.820 ( 0.000 17.030 0.000) 17.030 3.820 ( 0.000 -0.194 0.000) 0.194 4.028 ( 0.000 11.704 0.000) 11.704 4.641 ( 0.000 -3.099 0.000) 3.099 4.781 ( 0.000 1.113 0.000) 1.113 5.953 ( 0.000 3.008 0.000) 3.008 6.028 ( 0.000 -3.439 0.000) 3.439 7.090 ( 0.000 -7.293 0.000) 7.293 7.268 ( 0.000 -5.473 0.000) 5.473 7.953 ( 0.000 7.085 0.000) 7.085 8.149 ( 0.000 1.378 0.000) 1.378 8.320 ( 0.000 5.007 0.000) 5.007 8.397 ( 0.000 0.269 0.000) 0.269 8.539 ( 0.000 -1.775 0.000) 1.775 8.717 ( 0.000 -4.572 0.000) 4.572 11.947 ( 0.000 4.202 0.000) 4.202 12.294 ( 0.000 5.289 0.000) 5.289 12.519 ( 0.000 -8.654 0.000) 8.654 12.670 ( 0.000 -3.361 0.000) 3.361 12.870 ( 0.000 -0.043 0.000) 0.043 13.018 ( 0.000 -4.072 0.000) 4.072 13.173 ( 0.000 1.500 0.000) 1.500 13.329 ( 0.000 -1.999 0.000) 1.999 13.559 ( 0.000 6.705 0.000) 6.705 14.093 ( 0.000 -2.786 0.000) 2.786 ======================= Grid point 28 (17/192) ======================= q-point: ( 0.11 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 5.542 13.892 6.176) 16.182 1.418 ( -2.847 10.990 1.508) 11.453 1.700 ( -2.510 4.050 -0.454) 4.786 1.889 ( 6.585 -0.425 -3.271) 7.365 1.943 ( 0.578 -0.995 2.931) 3.149 2.192 ( -1.515 -1.192 1.760) 2.610 2.206 ( 0.866 5.734 -1.909) 6.105 2.351 ( -1.370 -0.373 -3.602) 3.872 2.465 ( 1.359 -3.145 1.002) 3.570 2.521 ( 0.446 0.792 0.905) 1.282 3.527 ( -3.756 6.178 2.132) 7.538 3.813 ( -0.709 0.003 -0.449) 0.839 3.856 ( 4.003 16.900 -0.449) 17.373 4.042 ( 1.296 10.492 -0.116) 10.573 4.619 ( 1.001 -2.544 -5.778) 6.392 4.840 ( 1.541 -0.454 9.243) 9.381 5.947 ( -6.421 -2.310 -4.287) 8.059 5.982 ( 2.045 2.418 2.000) 3.745 7.096 ( 0.414 -6.309 0.129) 6.324 7.295 ( 2.606 -5.036 0.510) 5.693 7.933 ( -1.890 7.634 -1.179) 7.953 8.154 ( 0.022 2.257 0.744) 2.377 8.301 ( -0.707 3.390 -0.549) 3.506 8.421 ( 1.290 0.314 1.136) 1.747 8.532 ( 0.174 -0.994 -1.441) 1.760 8.711 ( -0.430 -4.078 -0.447) 4.125 11.963 ( 1.045 3.891 1.051) 4.164 12.292 ( 0.307 5.828 -0.644) 5.871 12.528 ( 0.746 -8.318 -0.022) 8.352 12.688 ( 1.992 -3.080 0.190) 3.673 12.870 ( 0.264 -0.232 -0.338) 0.487 13.013 ( -0.368 -3.572 -0.124) 3.593 13.182 ( 0.573 1.571 0.895) 1.897 13.335 ( -0.532 -1.688 2.625) 3.166 13.547 ( -0.125 6.571 -2.771) 7.132 14.084 ( -0.453 -2.890 -1.089) 3.121 ======================= Grid point 29 (18/192) ======================= q-point: ( 0.22 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 5.151 4.397 6.874) 9.650 1.444 ( 3.853 7.381 2.473) 8.685 1.643 ( -1.860 3.619 -1.474) 4.328 1.927 ( 0.911 -2.947 -1.533) 3.445 2.016 ( 2.683 1.985 2.484) 4.161 2.159 ( -2.860 -1.005 0.027) 3.031 2.215 ( 2.102 1.981 -1.822) 3.415 2.306 ( -0.908 2.964 -2.560) 4.021 2.488 ( 0.822 -4.201 -0.394) 4.299 2.531 ( -0.151 -2.218 0.759) 2.349 3.466 ( -4.656 7.018 2.803) 8.876 3.787 ( -0.829 0.561 -2.263) 2.475 3.941 ( 4.424 15.821 1.190) 16.471 4.056 ( 0.264 7.911 -0.746) 7.950 4.601 ( 2.261 -3.541 -5.996) 7.322 4.956 ( 1.761 -2.474 11.033) 11.444 5.756 ( -8.678 0.520 -6.734) 10.996 6.055 ( 3.143 1.211 3.560) 4.901 7.102 ( 0.198 -3.877 -0.036) 3.882 7.366 ( 4.331 -4.069 1.144) 6.051 7.862 ( -3.861 8.270 -3.081) 9.633 8.158 ( -0.679 4.005 1.682) 4.396 8.305 ( 0.823 1.861 0.695) 2.150 8.444 ( 0.419 -1.814 1.097) 2.161 8.541 ( 2.694 1.728 -2.084) 3.819 8.696 ( -0.852 -2.555 -0.306) 2.710 11.988 ( 0.664 3.709 0.789) 3.850 12.302 ( 1.367 6.817 -0.327) 6.960 12.536 ( 0.358 -7.196 -0.571) 7.228 12.741 ( 3.156 -2.840 0.710) 4.305 12.875 ( 0.696 -0.678 -0.519) 1.102 13.006 ( -0.385 -2.863 0.197) 2.895 13.203 ( 0.726 2.030 1.005) 2.379 13.348 ( -1.425 -0.713 4.757) 5.017 13.513 ( 0.010 6.168 -5.237) 8.092 14.065 ( -0.307 -3.225 -1.472) 3.558 ======================= Grid point 30 (19/192) ======================= q-point: ( 0.33 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 5.573 0.272 5.290) 7.688 1.510 ( 0.963 0.049 -1.272) 1.596 1.659 ( 3.415 3.890 2.045) 5.566 1.920 ( -0.292 -1.529 -1.587) 2.223 2.048 ( -0.463 0.997 1.797) 2.106 2.094 ( -3.039 -0.246 -2.015) 3.655 2.259 ( 3.023 -0.297 -0.092) 3.039 2.275 ( -0.864 3.537 -0.682) 3.704 2.476 ( -1.700 -5.285 -1.278) 5.697 2.539 ( 1.085 -3.660 -0.130) 3.819 3.415 ( -3.264 7.879 2.593) 8.914 3.753 ( -0.439 -0.022 -2.862) 2.895 4.013 ( -0.458 14.161 6.688) 15.668 4.035 ( 0.979 6.116 -6.428) 8.926 4.605 ( 2.549 -5.507 -4.531) 7.573 5.061 ( 0.859 -4.894 8.666) 9.990 5.564 ( -6.180 4.496 -5.615) 9.483 6.138 ( 2.694 -0.252 3.169) 4.166 7.103 ( -0.014 -1.180 -0.033) 1.180 7.458 ( 4.328 -3.376 1.438) 5.674 7.762 ( -3.880 8.351 -3.178) 9.741 8.154 ( -1.034 3.884 0.941) 4.128 8.332 ( 0.943 2.065 1.871) 2.942 8.467 ( 1.250 -1.594 0.800) 2.178 8.586 ( 3.580 2.735 -2.261) 5.040 8.676 ( -1.453 -0.299 0.548) 1.581 11.997 ( 0.023 4.669 0.045) 4.669 12.331 ( 1.663 7.297 0.116) 7.485 12.533 ( -0.134 -6.144 -0.704) 6.186 12.802 ( 2.550 -2.923 0.842) 3.969 12.887 ( 1.025 -1.071 -0.508) 1.567 13.004 ( -0.152 -2.702 0.535) 2.758 13.221 ( 0.498 2.993 0.705) 3.115 13.357 ( -2.096 0.433 5.758) 6.143 13.467 ( 0.263 5.744 -6.670) 8.807 14.054 ( 0.220 -3.666 -1.020) 3.811 ======================= Grid point 31 (20/192) ======================= q-point: ( 0.44 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 0.792 -0.983 1.804) 2.202 1.520 ( 3.503 -4.541 0.351) 5.745 1.706 ( -0.272 5.019 -0.111) 5.028 1.903 ( -0.169 -1.522 -0.591) 1.641 2.021 ( -1.278 0.049 -1.521) 1.987 2.069 ( 0.005 2.525 0.998) 2.715 2.258 ( -0.385 1.535 0.165) 1.592 2.317 ( 2.177 -1.199 1.180) 2.751 2.420 ( -2.348 -6.789 -1.753) 7.394 2.558 ( 0.768 -3.565 -0.190) 3.652 3.391 ( -1.092 8.716 1.163) 8.860 3.732 ( 0.034 -1.640 -1.471) 2.203 3.992 ( -2.213 6.065 1.446) 6.616 4.047 ( 1.338 12.868 -1.390) 13.012 4.615 ( 1.140 -6.836 -1.713) 7.139 5.115 ( -0.048 -7.319 3.181) 7.981 5.461 ( -1.835 7.828 -2.009) 8.287 6.191 ( 1.028 -1.191 1.237) 2.001 7.103 ( -0.018 0.551 0.016) 0.551 7.530 ( 2.068 -3.605 0.834) 4.239 7.688 ( -1.815 8.705 -1.439) 9.008 8.140 ( -0.578 2.531 0.063) 2.597 8.362 ( 0.602 3.502 1.334) 3.795 8.492 ( 0.745 -0.685 0.248) 1.042 8.620 ( 2.015 0.978 -2.372) 3.262 8.658 ( -1.262 3.014 1.618) 3.646 11.995 ( -0.058 5.800 -0.096) 5.802 12.356 ( 0.760 7.825 0.101) 7.863 12.524 ( -0.237 -6.054 -0.323) 6.067 12.839 ( 0.929 -3.338 0.406) 3.488 12.900 ( 0.559 -1.109 -0.258) 1.268 13.007 ( -0.011 -2.887 0.320) 2.905 13.231 ( 0.170 3.979 0.280) 3.992 13.366 ( -1.329 0.557 4.262) 4.499 13.425 ( 0.408 5.995 -4.812) 7.698 14.054 ( 0.228 -3.926 -0.317) 3.945 ======================= Grid point 36 (21/192) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 0.000 16.072 0.000) 16.072 1.647 ( 0.000 7.092 0.000) 7.092 1.720 ( 0.000 -2.804 0.000) 2.804 1.852 ( 0.000 -4.375 0.000) 4.375 1.890 ( 0.000 4.252 0.000) 4.252 2.129 ( 0.000 -4.860 0.000) 4.860 2.307 ( 0.000 1.777 0.000) 1.777 2.316 ( 0.000 -2.611 0.000) 2.611 2.434 ( 0.000 1.013 0.000) 1.013 2.512 ( 0.000 -1.652 0.000) 1.652 3.669 ( 0.000 5.411 0.000) 5.411 3.805 ( 0.000 -1.449 0.000) 1.449 4.159 ( 0.000 14.464 0.000) 14.464 4.243 ( 0.000 8.694 0.000) 8.694 4.623 ( 0.000 1.322 0.000) 1.322 4.768 ( 0.000 -2.504 0.000) 2.504 5.974 ( 0.000 -1.645 0.000) 1.645 5.989 ( 0.000 0.120 0.000) 0.120 7.004 ( 0.000 -0.758 0.000) 0.758 7.158 ( 0.000 -5.587 0.000) 5.587 8.074 ( 0.000 4.534 0.000) 4.534 8.154 ( 0.000 -0.716 0.000) 0.716 8.394 ( 0.000 2.528 0.000) 2.528 8.400 ( 0.000 0.720 0.000) 0.720 8.522 ( 0.000 -0.052 0.000) 0.052 8.628 ( 0.000 -4.458 0.000) 4.458 12.048 ( 0.000 5.945 0.000) 5.945 12.344 ( 0.000 -8.620 0.000) 8.620 12.400 ( 0.000 5.370 0.000) 5.370 12.597 ( 0.000 -4.075 0.000) 4.075 12.871 ( 0.000 0.246 0.000) 0.246 12.936 ( 0.000 -3.580 0.000) 3.580 13.213 ( 0.000 2.402 0.000) 2.402 13.298 ( 0.000 -1.514 0.000) 1.514 13.705 ( 0.000 7.760 0.000) 7.760 14.003 ( 0.000 -6.061 0.000) 6.061 ======================= Grid point 37 (22/192) ======================= q-point: ( 0.11 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -0.816 13.480 1.956) 13.646 1.573 ( -4.120 4.507 0.558) 6.132 1.744 ( -1.944 0.922 -0.165) 2.158 1.825 ( 2.042 -4.551 -2.295) 5.490 1.966 ( 4.141 2.492 2.700) 5.537 2.140 ( 0.035 -3.801 1.125) 3.964 2.263 ( -1.966 0.654 -1.888) 2.803 2.340 ( 1.906 -1.577 -1.307) 2.798 2.425 ( -1.391 0.378 0.649) 1.581 2.503 ( -1.076 -2.051 0.172) 2.322 3.650 ( -2.554 5.789 1.283) 6.456 3.796 ( -1.389 -1.572 0.971) 2.311 4.188 ( 4.371 13.772 -3.171) 14.793 4.240 ( -1.192 8.365 1.768) 8.633 4.607 ( -0.215 1.666 -3.145) 3.566 4.803 ( 0.739 -3.695 6.053) 7.130 5.919 ( -4.352 -0.140 -2.958) 5.264 5.997 ( 0.499 -1.266 1.017) 1.699 7.029 ( 2.220 0.060 0.640) 2.311 7.191 ( 3.239 -5.358 0.560) 6.286 8.072 ( -0.641 5.797 -0.154) 5.834 8.173 ( 1.352 -0.252 1.213) 1.834 8.344 ( -1.903 1.325 -1.524) 2.775 8.412 ( -1.320 -0.871 0.485) 1.654 8.534 ( 2.200 1.035 -1.074) 2.658 8.635 ( 0.654 -3.577 0.296) 3.648 12.059 ( 0.884 5.701 0.360) 5.780 12.337 ( 0.000 -6.494 -0.482) 6.512 12.430 ( 2.596 3.898 0.156) 4.686 12.620 ( 2.349 -3.857 0.226) 4.521 12.869 ( 0.024 0.270 -0.239) 0.362 12.939 ( 0.218 -3.443 0.060) 3.450 13.224 ( 0.477 2.426 1.505) 2.895 13.307 ( 0.089 -1.439 2.052) 2.508 13.691 ( -0.504 7.747 -2.251) 8.083 13.992 ( -0.476 -6.162 -1.577) 6.379 ======================= Grid point 38 (23/192) ======================= q-point: ( 0.22 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -1.422 7.463 3.590) 8.403 1.533 ( -1.792 1.131 0.696) 2.231 1.704 ( -0.171 2.980 -0.741) 3.076 1.853 ( 1.356 -4.304 -0.065) 4.513 2.039 ( 1.325 0.781 0.927) 1.796 2.126 ( -1.669 -2.420 -0.936) 3.085 2.237 ( 0.980 1.729 -0.858) 2.164 2.367 ( 1.162 0.774 -0.831) 1.625 2.395 ( -1.976 -3.129 0.856) 3.799 2.476 ( -1.630 -2.922 -0.545) 3.390 3.603 ( -3.548 6.291 1.477) 7.372 3.769 ( -2.460 -1.993 0.850) 3.278 4.221 ( 0.082 8.092 -3.576) 8.848 4.255 ( 2.769 12.435 1.967) 12.890 4.571 ( -0.455 1.402 -4.046) 4.307 4.871 ( 0.404 -6.409 7.341) 9.753 5.796 ( -5.199 3.783 -4.109) 7.630 6.023 ( 1.074 -4.400 1.831) 4.885 7.083 ( 2.803 2.107 0.938) 3.630 7.274 ( 4.833 -5.132 1.076) 7.131 8.026 ( -3.178 7.930 -2.860) 9.009 8.205 ( 0.179 0.383 1.376) 1.439 8.327 ( 0.365 0.482 0.622) 0.867 8.387 ( -0.415 -3.259 1.066) 3.454 8.581 ( 3.637 2.018 -1.342) 4.370 8.655 ( 1.105 -1.693 0.620) 2.114 12.081 ( 1.141 5.533 0.309) 5.658 12.343 ( 0.943 -5.712 -0.224) 5.793 12.480 ( 2.701 4.543 -0.392) 5.300 12.677 ( 3.292 -3.756 0.236) 5.000 12.870 ( 0.326 0.317 -0.252) 0.519 12.944 ( 0.172 -3.093 0.179) 3.103 13.251 ( 0.798 2.645 2.321) 3.608 13.331 ( -0.057 -1.101 3.632) 3.796 13.654 ( -0.737 7.755 -4.034) 8.772 13.966 ( -0.453 -6.554 -2.397) 6.993 ======================= Grid point 39 (24/192) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 0.820 1.619 3.928) 4.327 1.496 ( -2.302 -1.844 -0.092) 2.951 1.737 ( 2.957 3.556 0.831) 4.699 1.871 ( 0.663 -3.309 0.135) 3.378 2.031 ( -1.506 -0.818 -0.562) 1.803 2.084 ( -1.011 -1.547 -2.362) 2.999 2.273 ( 1.705 1.602 1.193) 2.626 2.327 ( -3.060 1.311 -0.073) 3.330 2.382 ( -1.981 -3.179 -0.471) 3.775 2.460 ( 1.244 -4.026 -0.959) 4.322 3.557 ( -2.491 6.074 1.168) 6.668 3.723 ( -2.810 -2.565 0.026) 3.804 4.185 ( -1.840 8.651 -0.678) 8.870 4.310 ( 2.328 12.289 -0.535) 12.519 4.532 ( -0.283 -0.665 -3.543) 3.616 4.918 ( -0.857 -9.552 5.095) 10.860 5.692 ( -2.785 8.261 -2.864) 9.177 6.060 ( 1.173 -7.238 1.818) 7.555 7.137 ( 2.109 4.296 0.900) 4.870 7.368 ( 4.191 -5.442 1.181) 6.970 7.934 ( -3.559 8.649 -3.145) 9.867 8.180 ( -2.307 -1.624 -1.140) 3.043 8.366 ( 1.962 1.298 3.133) 3.917 8.425 ( 2.170 -2.189 1.922) 3.632 8.632 ( 2.993 2.237 -1.836) 4.163 8.683 ( 1.211 0.391 1.126) 1.699 12.102 ( 0.953 5.910 0.138) 5.988 12.365 ( 1.377 -5.901 0.131) 6.061 12.514 ( 1.474 6.017 -0.785) 6.245 12.732 ( 2.432 -4.111 0.022) 4.777 12.878 ( 0.669 0.287 -0.075) 0.731 12.948 ( 0.073 -2.776 0.261) 2.790 13.284 ( 0.739 3.072 2.194) 3.846 13.356 ( -0.490 -0.507 3.734) 3.800 13.606 ( -0.592 7.989 -4.471) 9.174 13.944 ( 0.042 -7.242 -1.989) 7.511 ======================= Grid point 40 (25/192) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 0.996 -2.722 2.108) 3.584 1.463 ( -0.905 -2.119 -0.287) 2.322 1.792 ( 1.714 3.362 0.736) 3.845 1.876 ( -0.053 -1.538 -0.484) 1.613 2.003 ( -0.758 -1.071 -0.265) 1.338 2.063 ( 0.145 -1.999 -0.888) 2.192 2.272 ( -1.542 -0.849 0.775) 1.923 2.299 ( -1.082 -2.319 -0.082) 2.560 2.345 ( -0.170 1.578 -0.846) 1.799 2.480 ( 0.865 -4.004 -0.230) 4.103 3.535 ( -0.712 5.502 0.526) 5.573 3.680 ( -1.412 -2.935 -0.262) 3.267 4.155 ( -0.953 9.654 -0.110) 9.701 4.331 ( 0.590 13.067 -0.394) 13.086 4.510 ( 0.021 -3.126 -1.389) 3.421 4.927 ( -0.743 -11.383 1.653) 11.527 5.650 ( -0.566 10.799 -0.846) 10.847 6.087 ( 0.507 -8.680 0.757) 8.727 7.169 ( 0.775 5.616 0.391) 5.682 7.431 ( 1.670 -5.981 0.542) 6.234 7.868 ( -1.468 9.020 -1.261) 9.226 8.137 ( -1.093 -2.828 -0.670) 3.105 8.418 ( 1.000 1.635 1.601) 2.497 8.469 ( 1.051 -1.431 0.797) 1.946 8.655 ( 0.945 2.863 -0.953) 3.162 8.711 ( 0.738 1.510 0.608) 1.787 12.115 ( 0.387 6.359 0.038) 6.371 12.388 ( 0.759 -6.673 0.177) 6.719 12.523 ( 0.270 7.581 -0.467) 7.600 12.761 ( 0.826 -4.442 -0.041) 4.518 12.889 ( 0.370 0.108 0.009) 0.385 12.950 ( 0.033 -2.652 0.130) 2.655 13.307 ( 0.291 3.299 0.927) 3.439 13.370 ( -0.371 -0.165 1.729) 1.776 13.570 ( -0.207 8.524 -2.182) 8.801 13.936 ( 0.170 -7.799 -0.723) 7.835 ======================= Grid point 45 (26/192) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 0.000 -9.273 0.000) 9.273 1.603 ( 0.000 9.273 0.000) 9.273 1.761 ( 0.000 -4.813 0.000) 4.813 1.761 ( 0.000 4.813 0.000) 4.813 2.003 ( 0.000 -6.813 0.000) 6.813 2.003 ( 0.000 6.813 0.000) 6.813 2.306 ( 0.000 -0.775 0.000) 0.775 2.306 ( 0.000 0.775 0.000) 0.775 2.470 ( 0.000 -2.208 0.000) 2.208 2.470 ( 0.000 2.208 0.000) 2.208 3.758 ( 0.000 -3.382 0.000) 3.382 3.758 ( 0.000 3.382 0.000) 3.382 4.326 ( 0.000 -1.529 0.000) 1.529 4.326 ( 0.000 1.529 0.000) 1.529 4.689 ( 0.000 -4.698 0.000) 4.698 4.689 ( 0.000 4.698 0.000) 4.698 5.970 ( 0.000 -1.087 0.000) 1.087 5.970 ( 0.000 1.087 0.000) 1.087 7.052 ( 0.000 -4.650 0.000) 4.650 7.052 ( 0.000 4.650 0.000) 4.650 8.130 ( 0.000 -1.607 0.000) 1.607 8.130 ( 0.000 1.607 0.000) 1.607 8.420 ( 0.000 -0.189 0.000) 0.189 8.420 ( 0.000 0.189 0.000) 0.189 8.547 ( 0.000 -3.041 0.000) 3.041 8.547 ( 0.000 3.041 0.000) 3.041 12.182 ( 0.000 -7.456 0.000) 7.456 12.182 ( 0.000 7.456 0.000) 7.456 12.505 ( 0.000 -5.065 0.000) 5.065 12.505 ( 0.000 5.065 0.000) 5.065 12.886 ( 0.000 -1.495 0.000) 1.495 12.886 ( 0.000 1.495 0.000) 1.495 13.261 ( 0.000 -2.214 0.000) 2.214 13.261 ( 0.000 2.214 0.000) 2.214 13.862 ( 0.000 -7.755 0.000) 7.755 13.862 ( 0.000 7.755 0.000) 7.755 ======================= Grid point 47 (27/192) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -4.042 -6.466 0.264) 7.630 1.563 ( -4.042 6.466 0.264) 7.630 1.757 ( 0.399 -1.319 -0.704) 1.548 1.757 ( 0.399 1.319 -0.704) 1.548 2.043 ( 2.350 -5.050 1.621) 5.801 2.043 ( 2.350 5.050 1.621) 5.801 2.292 ( -0.444 -2.372 -1.155) 2.676 2.292 ( -0.444 2.372 -1.155) 2.676 2.458 ( -1.331 -2.212 0.093) 2.583 2.458 ( -1.331 2.212 0.093) 2.583 3.745 ( -1.786 -3.622 0.916) 4.141 3.745 ( -1.786 3.622 0.916) 4.141 4.332 ( 0.983 -0.418 -0.945) 1.426 4.332 ( 0.983 0.418 -0.945) 1.426 4.695 ( -0.272 -6.354 1.876) 6.631 4.695 ( -0.272 6.354 1.876) 6.631 5.948 ( -1.774 -2.756 -1.060) 3.445 5.948 ( -1.774 2.756 -1.060) 3.445 7.086 ( 3.200 -4.800 0.782) 5.822 7.086 ( 3.200 4.800 0.782) 5.822 8.150 ( 1.268 -2.185 1.203) 2.798 8.150 ( 1.268 2.185 1.203) 2.798 8.380 ( -2.763 -2.242 -1.881) 4.025 8.380 ( -2.763 2.242 -1.881) 4.025 8.571 ( 2.098 -2.642 0.511) 3.412 8.571 ( 2.098 2.642 0.511) 3.412 12.188 ( 0.694 -7.219 -0.080) 7.253 12.188 ( 0.694 7.219 -0.080) 7.253 12.531 ( 2.565 -5.034 0.200) 5.653 12.531 ( 2.565 5.034 0.200) 5.653 12.887 ( 0.172 -1.670 -0.019) 1.679 12.887 ( 0.172 1.670 -0.019) 1.679 13.271 ( 0.346 -2.170 1.788) 2.833 13.271 ( 0.346 2.170 1.788) 2.833 13.849 ( -0.533 -7.832 -1.974) 8.095 13.849 ( -0.533 7.832 -1.974) 8.095 ======================= Grid point 49 (28/192) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -4.351 -5.441 1.042) 7.044 1.487 ( -4.351 5.441 1.042) 7.044 1.770 ( 1.274 -3.718 0.165) 3.933 1.770 ( 1.274 3.718 0.165) 3.933 2.070 ( -0.139 -2.517 -0.768) 2.635 2.070 ( -0.139 2.517 -0.768) 2.635 2.295 ( 1.296 -3.840 0.299) 4.064 2.295 ( 1.296 3.840 0.299) 4.064 2.423 ( -2.295 -2.320 -0.430) 3.292 2.423 ( -2.295 2.320 -0.430) 3.292 3.708 ( -3.076 -4.140 0.966) 5.247 3.708 ( -3.076 4.140 0.966) 5.247 4.341 ( 0.889 -2.854 -1.301) 3.260 4.341 ( 0.889 2.854 -1.301) 3.260 4.702 ( -0.944 -9.812 2.053) 10.069 4.702 ( -0.944 9.812 2.053) 10.069 5.904 ( -1.664 -6.547 -1.042) 6.835 5.904 ( -1.664 6.547 -1.042) 6.835 7.166 ( 4.338 -5.383 1.245) 7.025 7.166 ( 4.338 5.383 1.245) 7.025 8.161 ( -1.351 -4.917 -1.330) 5.270 8.161 ( -1.351 4.917 -1.330) 5.270 8.339 ( 0.052 -1.217 1.145) 1.672 8.339 ( 0.052 1.217 1.145) 1.672 8.621 ( 2.863 -1.892 0.237) 3.440 8.621 ( 2.863 1.892 0.237) 3.440 12.206 ( 1.250 -6.889 -0.009) 7.001 12.206 ( 1.250 6.889 -0.009) 7.001 12.588 ( 3.220 -5.161 -0.116) 6.084 12.588 ( 3.220 5.161 -0.116) 6.084 12.892 ( 0.341 -1.920 0.082) 1.952 12.892 ( 0.341 1.920 0.082) 1.952 13.300 ( 0.582 -2.053 3.044) 3.718 13.300 ( 0.582 2.053 3.044) 3.718 13.815 ( -0.705 -8.165 -3.289) 8.831 13.815 ( -0.705 8.165 -3.289) 8.831 ======================= Grid point 51 (29/192) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -2.596 -3.859 1.735) 4.964 1.434 ( -2.596 3.859 1.735) 4.964 1.803 ( 1.776 -3.262 0.885) 3.818 1.803 ( 1.776 3.262 0.885) 3.818 2.043 ( -0.820 -1.874 -2.402) 3.155 2.043 ( -0.820 1.874 -2.402) 3.155 2.309 ( -1.801 -1.882 0.983) 2.784 2.309 ( -1.801 1.882 0.983) 2.784 2.390 ( 0.230 -2.760 -0.786) 2.879 2.390 ( 0.230 2.760 -0.786) 2.879 3.657 ( -2.945 -4.071 0.464) 5.046 3.657 ( -2.945 4.071 0.464) 5.046 4.342 ( 0.229 -5.931 -1.002) 6.019 4.342 ( 0.229 5.931 -1.002) 6.019 4.690 ( -1.498 -12.629 0.914) 12.751 4.690 ( -1.498 12.629 0.914) 12.751 5.880 ( -0.447 -9.960 -0.283) 9.974 5.880 ( -0.447 9.960 -0.283) 9.974 7.249 ( 3.424 -6.273 1.191) 7.245 7.249 ( 3.424 6.273 1.191) 7.245 8.092 ( -3.115 -6.698 -2.673) 7.855 8.092 ( -3.115 6.698 -2.673) 7.855 8.390 ( 2.454 -1.337 2.847) 3.989 8.390 ( 2.454 1.337 2.847) 3.989 8.673 ( 2.564 -1.515 0.120) 2.981 8.673 ( 2.564 1.515 0.120) 2.981 12.230 ( 1.291 -6.843 0.110) 6.964 12.230 ( 1.291 6.843 0.110) 6.964 12.636 ( 2.201 -5.544 -0.452) 5.982 12.636 ( 2.201 5.544 -0.452) 5.982 12.900 ( 0.375 -1.854 0.168) 1.899 12.900 ( 0.375 1.854 0.168) 1.899 13.334 ( 0.382 -1.797 2.950) 3.475 13.334 ( 0.382 1.797 2.950) 3.475 13.778 ( -0.373 -8.903 -3.168) 9.458 13.778 ( -0.373 8.903 -3.168) 9.458 ======================= Grid point 53 (30/192) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -0.760 -1.892 0.919) 2.237 1.416 ( -0.760 1.892 0.919) 2.237 1.841 ( 1.247 -1.851 0.776) 2.362 1.841 ( 1.247 1.851 0.776) 2.362 2.014 ( -0.397 -2.223 -1.447) 2.683 2.014 ( -0.397 2.223 -1.447) 2.683 2.265 ( -1.999 -0.558 0.006) 2.075 2.265 ( -1.999 0.558 0.006) 2.075 2.404 ( 0.774 -3.540 -0.048) 3.624 2.404 ( 0.774 3.540 -0.048) 3.624 3.619 ( -1.212 -3.308 0.089) 3.524 3.619 ( -1.212 3.308 0.089) 3.524 4.337 ( -0.047 -7.663 -0.364) 7.672 4.337 ( -0.047 7.663 -0.364) 7.672 4.671 ( -0.755 -13.796 0.145) 13.817 4.671 ( -0.755 13.796 0.145) 13.817 5.877 ( 0.063 -11.559 0.046) 11.559 5.877 ( 0.063 11.559 0.046) 11.559 7.300 ( 1.283 -6.943 0.504) 7.078 7.300 ( 1.283 6.943 0.504) 7.078 8.034 ( -1.299 -7.185 -1.081) 7.381 8.034 ( -1.299 7.185 -1.081) 7.381 8.442 ( 1.090 -1.183 1.164) 1.985 8.442 ( 1.090 1.183 1.164) 1.985 8.708 ( 1.072 -1.746 0.084) 2.050 8.708 ( 1.072 1.746 0.084) 2.050 12.249 ( 0.566 -6.979 0.078) 7.002 12.249 ( 0.566 6.979 0.078) 7.002 12.659 ( 0.732 -5.909 -0.251) 5.960 12.659 ( 0.732 5.909 -0.251) 5.960 12.906 ( 0.159 -1.637 0.085) 1.647 12.906 ( 0.159 1.637 0.085) 1.647 13.355 ( 0.050 -1.484 1.210) 1.915 13.355 ( 0.050 1.484 1.210) 1.915 13.756 ( -0.032 -9.688 -1.310) 9.776 13.756 ( -0.032 9.688 -1.310) 9.776 ======================= Grid point 99 (31/192) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( -16.781 0.000 23.746) 29.077 0.584 ( 18.816 0.000 28.095) 33.813 0.893 ( -14.727 0.000 38.423) 41.149 1.694 ( 0.892 0.000 1.126) 1.437 1.810 ( -1.254 0.000 2.756) 3.028 2.034 ( 0.558 0.000 1.297) 1.412 2.130 ( -1.651 0.000 1.480) 2.217 2.267 ( -0.233 0.000 0.630) 0.672 2.478 ( -0.076 0.000 -2.078) 2.079 2.566 ( -0.408 0.000 -1.906) 1.950 3.337 ( 7.463 0.000 -3.545) 8.263 3.539 ( -3.143 0.000 0.832) 3.252 3.695 ( -4.980 0.000 7.068) 8.646 3.814 ( 2.013 0.000 0.673) 2.123 4.613 ( 0.202 0.000 -3.585) 3.591 5.028 ( 5.290 0.000 7.985) 9.578 5.753 ( 3.159 0.000 -8.257) 8.841 6.144 ( -5.680 0.000 -6.148) 8.370 7.431 ( 1.646 0.000 -2.334) 2.856 7.550 ( -1.548 0.000 -1.709) 2.306 7.579 ( -1.726 0.000 3.496) 3.899 7.905 ( 1.047 0.000 -1.074) 1.500 8.164 ( -0.419 0.000 2.262) 2.300 8.372 ( 0.027 0.000 1.669) 1.669 8.577 ( -1.726 0.000 -1.114) 2.054 8.864 ( 0.784 0.000 -4.712) 4.777 11.870 ( 2.590 0.000 2.397) 3.529 12.073 ( -1.234 0.000 -0.280) 1.266 12.816 ( -1.775 0.000 -0.242) 1.791 12.819 ( 0.353 0.000 0.160) 0.387 12.876 ( -0.652 0.000 1.225) 1.388 13.044 ( 2.064 0.000 -1.372) 2.478 13.107 ( -1.751 0.000 -0.380) 1.792 13.304 ( 0.769 0.000 -4.287) 4.355 13.605 ( -3.935 0.000 5.300) 6.601 14.035 ( 0.797 0.000 -1.071) 1.335 ======================= Grid point 100 (32/192) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( -4.575 0.000 19.629) 20.155 0.805 ( -4.697 0.000 26.839) 27.247 1.447 ( 27.823 0.000 23.427) 36.372 1.745 ( 3.140 0.000 0.788) 3.237 1.825 ( 1.231 0.000 2.423) 2.718 2.060 ( 0.801 0.000 2.377) 2.509 2.090 ( -3.273 0.000 -0.765) 3.362 2.280 ( 1.016 0.000 0.598) 1.179 2.447 ( -1.133 0.000 -2.461) 2.710 2.554 ( 1.124 0.000 -2.174) 2.447 3.425 ( 3.005 0.000 0.068) 3.006 3.496 ( -1.757 0.000 -0.112) 1.760 3.686 ( -1.391 0.000 6.227) 6.381 3.859 ( 1.651 0.000 2.291) 2.824 4.612 ( 3.532 0.000 -4.140) 5.442 5.222 ( 6.401 0.000 12.175) 13.755 5.743 ( 2.147 0.000 -9.218) 9.465 5.916 ( -9.710 0.000 -11.121) 14.764 7.427 ( -0.072 0.000 -2.819) 2.820 7.474 ( -4.730 0.000 -1.766) 5.049 7.575 ( -2.090 0.000 4.675) 5.121 7.909 ( 0.750 0.000 -2.285) 2.405 8.208 ( 2.082 0.000 4.125) 4.620 8.395 ( 0.639 0.000 2.392) 2.476 8.522 ( -2.450 0.000 -2.508) 3.506 8.821 ( -1.125 0.000 -5.286) 5.404 11.959 ( 3.891 0.000 4.187) 5.716 12.013 ( -4.381 0.000 -1.434) 4.610 12.815 ( 0.776 0.000 0.744) 1.075 12.825 ( 0.082 0.000 0.280) 0.292 12.884 ( 0.454 0.000 0.886) 0.996 13.056 ( -0.138 0.000 0.256) 0.291 13.093 ( 1.194 0.000 -1.991) 2.322 13.273 ( 0.186 0.000 -5.358) 5.362 13.562 ( -5.042 0.000 5.156) 7.212 14.043 ( 0.872 0.000 -0.757) 1.155 ======================= Grid point 101 (33/192) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 7.051 0.000 13.844) 15.536 0.986 ( 5.627 0.000 14.898) 15.925 1.789 ( 1.080 0.000 -1.800) 2.099 1.805 ( -1.559 0.000 9.290) 9.420 1.999 ( -4.021 0.000 -4.176) 5.797 2.036 ( 10.257 0.000 3.487) 10.833 2.134 ( 11.373 0.000 3.418) 11.876 2.308 ( 1.352 0.000 0.299) 1.384 2.410 ( -0.653 0.000 -1.766) 1.883 2.581 ( 3.152 0.000 -0.317) 3.168 3.432 ( -4.785 0.000 6.320) 7.927 3.481 ( -0.221 0.000 1.104) 1.126 3.747 ( 3.342 0.000 3.271) 4.677 3.909 ( 1.263 0.000 3.514) 3.734 4.688 ( 8.788 0.000 -5.052) 10.136 5.428 ( 3.810 0.000 14.605) 15.094 5.539 ( -12.022 0.000 -11.861) 16.888 5.805 ( 4.590 0.000 -9.878) 10.893 7.372 ( -5.065 0.000 -0.676) 5.110 7.383 ( -1.965 0.000 -3.123) 3.690 7.581 ( -1.832 0.000 5.680) 5.969 7.901 ( 0.811 0.000 -2.914) 3.025 8.280 ( 2.042 0.000 3.590) 4.130 8.431 ( 0.858 0.000 2.868) 2.993 8.465 ( -1.134 0.000 -2.537) 2.779 8.745 ( -2.377 0.000 -5.249) 5.762 11.904 ( -5.783 0.000 -1.979) 6.112 12.060 ( 3.367 0.000 3.710) 5.010 12.823 ( -0.449 0.000 -0.073) 0.455 12.835 ( 0.735 0.000 0.033) 0.736 12.903 ( 0.953 0.000 0.645) 1.150 13.061 ( 0.098 0.000 1.439) 1.443 13.102 ( 1.531 0.000 -2.544) 2.969 13.231 ( 0.248 0.000 -5.690) 5.695 13.515 ( -4.878 0.000 6.135) 7.838 14.054 ( 0.832 0.000 -0.571) 1.010 ======================= Grid point 102 (34/192) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 10.138 0.000 12.912) 16.416 1.216 ( 9.824 0.000 6.226) 11.631 1.708 ( -5.537 0.000 -7.169) 9.058 1.811 ( -4.699 0.000 7.833) 9.134 1.936 ( 0.935 0.000 -3.074) 3.213 2.090 ( -0.246 0.000 1.392) 1.414 2.318 ( -0.042 0.000 -0.866) 0.867 2.406 ( 12.465 0.000 -2.379) 12.690 2.410 ( 1.260 0.000 -0.081) 1.262 2.654 ( 3.718 0.000 1.047) 3.862 3.364 ( -9.966 0.000 10.818) 14.708 3.505 ( 0.615 0.000 3.604) 3.656 3.832 ( 3.504 0.000 1.642) 3.869 3.952 ( 0.070 0.000 3.383) 3.384 4.831 ( 11.777 0.000 -7.595) 14.013 5.270 ( -7.544 0.000 -7.430) 10.589 5.562 ( -2.319 0.000 13.800) 13.994 5.823 ( 5.733 0.000 -10.450) 11.919 7.291 ( -3.597 0.000 0.703) 3.665 7.319 ( -1.989 0.000 -2.987) 3.589 7.593 ( -2.082 0.000 5.876) 6.233 7.896 ( 1.172 0.000 -3.008) 3.228 8.330 ( 0.809 0.000 2.413) 2.545 8.449 ( 1.088 0.000 -1.458) 1.820 8.464 ( 0.225 0.000 2.490) 2.501 8.661 ( -2.236 0.000 -4.533) 5.055 11.792 ( -4.475 0.000 -1.401) 4.690 12.126 ( 1.462 0.000 1.396) 2.022 12.810 ( -0.575 0.000 -0.530) 0.782 12.838 ( 0.172 0.000 -0.840) 0.858 12.926 ( 0.853 0.000 0.831) 1.191 13.068 ( 0.003 0.000 -1.382) 1.382 13.120 ( 1.573 0.000 1.222) 1.992 13.197 ( 0.839 0.000 -5.148) 5.215 13.489 ( -3.835 0.000 7.332) 8.275 14.062 ( 0.580 0.000 -0.696) 0.906 ======================= Grid point 103 (35/192) ======================= q-point: ( 0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 0.087 0.000 11.860) 11.861 1.423 ( 9.236 0.000 1.745) 9.399 1.593 ( 2.391 0.000 -5.039) 5.577 1.758 ( -8.586 0.000 8.640) 12.181 1.954 ( 2.226 0.000 -1.002) 2.441 2.080 ( -0.975 0.000 -0.741) 1.225 2.309 ( 0.173 0.000 -0.987) 1.002 2.432 ( 0.649 0.000 0.152) 0.667 2.562 ( 7.668 0.000 -2.901) 8.199 2.703 ( 1.706 0.000 -2.034) 2.655 3.248 ( -13.003 0.000 12.557) 18.077 3.550 ( 0.060 0.000 5.706) 5.707 3.892 ( 1.779 0.000 1.377) 2.250 3.951 ( -2.497 0.000 1.364) 2.845 4.964 ( 10.145 0.000 -10.409) 14.535 5.191 ( 2.334 0.000 0.544) 2.396 5.538 ( -10.771 0.000 9.433) 14.318 5.840 ( 5.316 0.000 -10.658) 11.910 7.257 ( -1.209 0.000 1.910) 2.261 7.276 ( -0.099 0.000 -2.655) 2.656 7.595 ( -2.655 0.000 5.450) 6.062 7.896 ( 1.364 0.000 -2.867) 3.175 8.347 ( -0.624 0.000 1.306) 1.447 8.472 ( -1.097 0.000 1.308) 1.707 8.472 ( 1.692 0.000 -0.246) 1.710 8.610 ( 0.597 0.000 -3.097) 3.154 11.737 ( -0.725 0.000 0.228) 0.760 12.131 ( -0.878 0.000 -1.602) 1.827 12.799 ( -0.033 0.000 -0.640) 0.641 12.835 ( 0.365 0.000 -0.832) 0.909 12.942 ( 0.198 0.000 0.400) 0.446 13.041 ( -0.739 0.000 -2.987) 3.078 13.169 ( 1.427 0.000 3.371) 3.660 13.184 ( 1.599 0.000 -3.694) 4.025 13.491 ( -2.797 0.000 8.040) 8.513 14.063 ( 0.223 0.000 -1.097) 1.120 ======================= Grid point 104 (36/192) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -11.108 0.000 9.071) 14.341 1.552 ( 1.154 0.000 0.607) 1.304 1.646 ( -9.157 0.000 9.152) 12.947 1.729 ( 9.470 0.000 2.593) 9.818 1.985 ( 1.177 0.000 0.387) 1.239 2.050 ( -0.961 0.000 -2.082) 2.293 2.313 ( 1.156 0.000 -0.806) 1.409 2.431 ( -0.725 0.000 0.090) 0.731 2.638 ( 2.044 0.000 -0.501) 2.104 2.669 ( -3.691 0.000 -4.543) 5.853 3.111 ( -10.379 0.000 9.306) 13.940 3.593 ( -0.926 0.000 7.087) 7.148 3.889 ( -4.080 0.000 -0.976) 4.195 3.918 ( -0.582 0.000 2.158) 2.235 5.021 ( 6.046 0.000 -12.658) 14.028 5.334 ( -16.990 0.000 4.873) 17.675 5.356 ( 11.397 0.000 7.841) 13.834 5.843 ( 4.212 0.000 -10.382) 11.204 7.277 ( 2.340 0.000 -2.290) 3.275 7.278 ( 1.453 0.000 2.640) 3.014 7.585 ( -2.864 0.000 4.684) 5.490 7.898 ( 1.354 0.000 -2.649) 2.975 8.327 ( -2.259 0.000 0.263) 2.274 8.449 ( -1.995 0.000 0.389) 2.033 8.493 ( 0.658 0.000 0.692) 0.955 8.646 ( 4.841 0.000 -1.568) 5.088 11.771 ( 3.301 0.000 1.888) 3.803 12.073 ( -2.793 0.000 -4.092) 4.954 12.800 ( 0.589 0.000 -0.416) 0.721 12.838 ( 0.427 0.000 -0.631) 0.762 12.939 ( -0.409 0.000 -0.343) 0.534 13.003 ( -0.610 0.000 -2.978) 3.040 13.198 ( 2.375 0.000 -1.870) 3.023 13.212 ( 0.184 0.000 3.177) 3.182 13.513 ( -1.950 0.000 8.346) 8.571 14.054 ( 0.024 0.000 -1.505) 1.505 ======================= Grid point 105 (37/192) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -13.318 0.000 13.298) 18.821 1.384 ( -18.519 0.000 8.524) 20.386 1.650 ( -0.453 0.000 0.804) 0.923 1.857 ( 0.485 0.000 1.906) 1.967 2.014 ( 2.445 0.000 1.461) 2.848 2.018 ( -0.575 0.000 -2.287) 2.358 2.330 ( 0.575 0.000 -0.263) 0.632 2.420 ( 0.146 0.000 0.035) 0.150 2.425 ( -21.241 0.000 -0.180) 21.242 2.643 ( -1.383 0.000 1.085) 1.758 3.069 ( 1.611 0.000 -0.106) 1.614 3.629 ( -1.978 0.000 8.210) 8.444 3.806 ( -2.878 0.000 -3.041) 4.187 3.904 ( -3.546 0.000 3.588) 5.045 4.963 ( -2.499 0.000 -13.264) 13.497 5.077 ( -11.359 0.000 2.972) 11.741 5.680 ( 14.626 0.000 10.858) 18.215 5.828 ( 3.046 0.000 -9.816) 10.278 7.318 ( 3.801 0.000 -2.183) 4.383 7.349 ( 3.861 0.000 2.774) 4.754 7.571 ( -2.279 0.000 4.054) 4.651 7.902 ( 1.271 0.000 -2.373) 2.692 8.272 ( -3.569 0.000 -0.373) 3.589 8.413 ( -2.016 0.000 0.268) 2.034 8.521 ( 1.393 0.000 1.779) 2.260 8.735 ( 5.747 0.000 -1.426) 5.922 11.872 ( 5.287 0.000 2.560) 5.874 11.976 ( -3.508 0.000 -5.046) 6.145 12.809 ( 0.557 0.000 -0.284) 0.625 12.836 ( 0.006 0.000 -0.759) 0.759 12.924 ( -0.961 0.000 -0.212) 0.984 12.980 ( 0.548 0.000 -2.485) 2.545 13.222 ( -1.429 0.000 2.106) 2.545 13.236 ( 2.954 0.000 -0.981) 3.112 13.550 ( -1.286 0.000 8.296) 8.395 14.042 ( 0.126 0.000 -1.672) 1.677 ======================= Grid point 106 (38/192) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -15.961 0.000 18.223) 24.225 1.056 ( -24.258 0.000 4.989) 24.766 1.530 ( -18.187 0.000 2.331) 18.336 1.799 ( -5.393 0.000 -0.256) 5.399 1.952 ( -11.560 0.000 1.753) 11.692 2.050 ( -9.428 0.000 2.911) 9.868 2.085 ( 2.440 0.000 2.555) 3.533 2.314 ( -1.955 0.000 0.152) 1.961 2.447 ( 2.357 0.000 -0.365) 2.385 2.620 ( -1.690 0.000 0.540) 1.774 3.132 ( 6.651 0.000 -4.485) 8.022 3.636 ( -4.625 0.000 7.631) 8.923 3.758 ( 1.157 0.000 -3.847) 4.017 3.846 ( -6.388 0.000 4.889) 8.044 4.785 ( -5.790 0.000 -5.834) 8.219 4.968 ( -2.964 0.000 -2.128) 3.649 5.798 ( 2.120 0.000 -8.744) 8.997 6.007 ( 11.465 0.000 8.126) 14.053 7.369 ( 3.667 0.000 -2.313) 4.335 7.452 ( 4.969 0.000 2.095) 5.393 7.570 ( -1.311 0.000 3.663) 3.890 7.906 ( 0.958 0.000 -2.059) 2.271 8.203 ( -3.654 0.000 0.224) 3.661 8.384 ( -1.521 0.000 0.531) 1.611 8.565 ( 1.515 0.000 1.919) 2.444 8.817 ( 4.764 0.000 -2.293) 5.287 11.882 ( -2.476 0.000 -3.856) 4.582 11.985 ( 4.677 0.000 2.131) 5.140 12.813 ( 0.185 0.000 -0.384) 0.426 12.832 ( 0.235 0.000 -0.421) 0.482 12.903 ( -1.495 0.000 0.530) 1.586 12.985 ( 1.865 0.000 -1.818) 2.605 13.197 ( -2.544 0.000 0.930) 2.709 13.281 ( 2.809 0.000 -1.423) 3.149 13.592 ( -1.297 0.000 7.625) 7.735 14.034 ( 0.407 0.000 -1.584) 1.636 ======================= Grid point 107 (39/192) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( -30.003 0.000 -2.128) 30.078 0.657 ( -18.762 0.000 22.099) 28.989 1.109 ( -33.164 0.000 27.623) 43.161 1.711 ( -3.335 0.000 0.041) 3.335 1.825 ( -4.276 0.000 4.166) 5.970 2.020 ( 0.031 0.000 0.416) 0.417 2.128 ( 0.145 0.000 2.407) 2.411 2.280 ( -1.640 0.000 0.402) 1.688 2.479 ( 1.500 0.000 -1.190) 1.915 2.593 ( -1.263 0.000 -0.664) 1.427 3.228 ( 7.946 0.000 -4.876) 9.323 3.593 ( -4.467 0.000 3.425) 5.629 3.759 ( -7.484 0.000 5.757) 9.442 3.776 ( 2.343 0.000 -1.112) 2.594 4.670 ( -3.000 0.000 -4.487) 5.398 4.939 ( 0.416 0.000 1.822) 1.869 5.769 ( 2.324 0.000 -8.277) 8.597 6.186 ( 3.327 0.000 1.612) 3.697 7.409 ( 2.746 0.000 -2.301) 3.583 7.541 ( 3.145 0.000 0.230) 3.153 7.577 ( -1.065 0.000 3.308) 3.475 7.903 ( 0.438 0.000 -1.622) 1.680 8.162 ( -1.301 0.000 1.764) 2.192 8.369 ( -0.770 0.000 1.010) 1.270 8.593 ( 0.177 0.000 0.749) 0.770 8.864 ( 2.890 0.000 -3.591) 4.609 11.839 ( -0.003 0.000 -0.870) 0.870 12.061 ( 2.144 0.000 1.004) 2.367 12.813 ( 0.219 0.000 -0.231) 0.318 12.842 ( 0.940 0.000 -1.002) 1.374 12.883 ( -1.250 0.000 1.307) 1.809 13.013 ( 2.435 0.000 -1.485) 2.852 13.151 ( -2.732 0.000 0.115) 2.734 13.308 ( 1.887 0.000 -2.725) 3.315 13.616 ( -2.396 0.000 6.384) 6.819 14.032 ( 0.656 0.000 -1.361) 1.511 ======================= Grid point 108 (40/192) ======================= q-point: ( 0.00 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 9.503 6.324 23.591) 26.207 0.764 ( 6.742 20.625 14.525) 26.112 1.176 ( -15.508 20.715 19.190) 32.216 1.716 ( 0.786 1.682 -0.291) 1.879 1.865 ( -1.411 5.662 3.038) 6.579 2.029 ( -0.161 -0.712 0.466) 0.866 2.182 ( -1.119 4.665 2.089) 5.232 2.271 ( -0.081 0.295 1.109) 1.150 2.463 ( -0.403 -1.294 -1.972) 2.393 2.563 ( -0.155 -0.477 -1.051) 1.165 3.358 ( 6.607 2.068 -3.216) 7.634 3.525 ( -2.597 -0.883 0.144) 2.747 3.758 ( -4.363 5.630 6.426) 9.593 3.829 ( 0.756 1.557 2.541) 3.075 4.605 ( -0.301 -0.884 -4.684) 4.776 4.995 ( 4.434 -2.504 9.494) 10.774 5.780 ( 3.469 2.460 -7.114) 8.288 6.115 ( -5.390 -2.687 -5.822) 8.377 7.352 ( 1.292 -6.060 -2.820) 6.808 7.543 ( -1.774 -2.961 5.151) 6.201 7.641 ( -0.789 5.967 -2.981) 6.717 7.968 ( 0.348 5.613 -1.219) 5.754 8.166 ( -0.044 1.164 2.881) 3.108 8.371 ( 0.104 0.080 1.132) 1.140 8.590 ( -1.201 -0.030 -2.043) 2.370 8.839 ( 0.750 -2.439 -4.369) 5.060 11.877 ( 2.218 0.766 2.326) 3.304 12.105 ( -1.080 2.994 -0.499) 3.222 12.768 ( 0.597 -3.204 0.329) 3.276 12.803 ( -0.692 -2.412 0.573) 2.573 12.872 ( -0.503 0.069 0.825) 0.969 13.072 ( 2.529 0.600 -2.617) 3.689 13.124 ( -1.990 1.023 -1.319) 2.598 13.310 ( 1.347 0.550 -4.558) 4.785 13.567 ( -3.984 -2.806 5.966) 7.703 14.063 ( 0.504 2.110 -1.350) 2.554 ======================= Grid point 109 (41/192) ======================= q-point: ( 0.11 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 3.069 22.097 6.101) 23.128 0.974 ( -4.721 13.752 18.827) 23.788 1.414 ( 18.917 -0.365 18.736) 26.627 1.776 ( 7.207 1.602 -0.959) 7.444 1.874 ( -0.562 4.930 3.032) 5.815 2.022 ( -0.974 -1.645 0.294) 1.934 2.165 ( -2.146 4.453 0.391) 4.959 2.293 ( 0.983 1.040 1.404) 2.005 2.442 ( 0.219 -0.042 -1.571) 1.586 2.558 ( 0.888 0.220 -1.429) 1.697 3.432 ( 2.377 0.779 0.072) 2.503 3.487 ( -1.033 -0.288 -0.995) 1.463 3.760 ( -1.359 6.882 7.241) 10.082 3.867 ( 1.031 0.800 3.098) 3.361 4.589 ( 2.950 -2.124 -4.786) 6.010 5.181 ( 5.536 -3.192 12.863) 14.363 5.785 ( 1.136 3.411 -8.368) 9.108 5.905 ( -7.579 -0.786 -9.357) 12.067 7.334 ( -1.016 -5.799 -2.462) 6.382 7.548 ( -2.069 -2.305 3.534) 4.699 7.580 ( -2.826 6.395 -1.321) 7.116 7.960 ( 0.159 4.753 -1.855) 5.105 8.213 ( 1.982 0.717 3.546) 4.125 8.393 ( 1.008 0.108 1.614) 1.905 8.535 ( -2.307 0.593 -2.554) 3.492 8.801 ( -0.868 -1.933 -4.799) 5.246 11.947 ( 1.770 -0.362 3.334) 3.792 12.061 ( -2.072 3.890 -0.949) 4.508 12.791 ( -0.744 -3.504 0.196) 3.587 12.799 ( 1.763 -1.659 0.774) 2.542 12.879 ( 0.472 -0.228 0.675) 0.855 13.082 ( -0.592 -0.446 -0.511) 0.900 13.095 ( 1.303 2.290 -2.130) 3.388 13.285 ( 0.382 1.194 -5.578) 5.717 13.537 ( -4.559 -2.005 6.096) 7.871 14.061 ( 0.560 1.366 -1.274) 1.950 ======================= Grid point 110 (42/192) ======================= q-point: ( 0.22 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 5.222 20.148 5.448) 21.515 1.101 ( 5.190 9.928 10.073) 15.065 1.710 ( 3.632 -4.684 5.783) 8.281 1.872 ( -2.689 3.980 2.207) 5.286 1.982 ( 1.782 -2.676 -1.279) 3.460 2.037 ( 12.578 0.144 3.163) 12.971 2.115 ( -1.994 0.696 -1.458) 2.566 2.309 ( 0.149 -0.799 -0.397) 0.904 2.457 ( 2.125 3.519 -0.813) 4.191 2.584 ( 2.830 0.207 0.035) 2.838 3.424 ( -5.133 -0.344 5.382) 7.445 3.492 ( 2.180 0.995 -0.912) 2.564 3.815 ( 1.087 6.627 6.088) 9.064 3.914 ( 0.934 0.551 4.013) 4.157 4.641 ( 7.508 -4.270 -6.114) 10.582 5.372 ( 2.724 -4.294 13.736) 14.647 5.550 ( -11.157 0.947 -10.806) 15.561 5.874 ( 5.409 5.733 -6.858) 10.448 7.282 ( -2.628 -4.785 -1.535) 5.670 7.478 ( -3.589 4.714 -3.082) 6.678 7.580 ( -1.250 0.242 5.996) 6.129 7.947 ( 0.356 4.363 -2.296) 4.943 8.276 ( 1.804 -0.192 2.883) 3.406 8.429 ( 1.482 0.312 1.166) 1.912 8.484 ( -1.145 1.081 -1.451) 2.141 8.736 ( -1.966 -0.882 -4.538) 5.023 11.919 ( -4.672 1.406 -0.975) 4.976 12.085 ( 2.792 2.569 2.427) 4.504 12.771 ( -1.216 -4.044 -0.212) 4.228 12.842 ( 1.940 -0.508 0.504) 2.068 12.897 ( 0.991 -0.391 0.606) 1.225 13.081 ( 0.260 0.035 1.404) 1.428 13.100 ( 1.078 1.325 -2.966) 3.423 13.242 ( 0.139 1.172 -6.026) 6.140 13.504 ( -4.518 -0.796 6.795) 8.198 14.064 ( 0.786 0.764 -1.022) 1.499 ======================= Grid point 111 (43/192) ======================= q-point: ( 0.33 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 8.848 14.115 6.143) 17.755 1.288 ( 8.635 6.064 4.434) 11.445 1.716 ( -4.241 0.375 -5.102) 6.646 1.821 ( -2.992 1.838 4.212) 5.483 1.967 ( -0.154 2.329 -0.307) 2.354 2.074 ( -1.280 -2.171 0.008) 2.520 2.282 ( 6.836 -4.781 0.815) 8.381 2.306 ( 2.343 -1.816 -0.492) 3.005 2.495 ( 3.840 2.601 -2.755) 5.395 2.644 ( 2.723 -1.108 0.440) 2.973 3.353 ( -8.467 -0.448 8.406) 11.939 3.538 ( 2.088 2.383 2.297) 3.914 3.876 ( 0.782 4.513 4.072) 6.129 3.954 ( -0.532 0.337 4.229) 4.275 4.749 ( 10.236 -7.268 -8.509) 15.166 5.285 ( -6.776 1.368 -6.434) 9.444 5.511 ( -2.089 -3.607 12.639) 13.308 5.915 ( 5.191 7.311 -7.825) 11.900 7.226 ( -2.328 -3.738 -0.608) 4.445 7.400 ( -2.438 5.171 -2.227) 6.136 7.606 ( -1.373 1.059 6.078) 6.320 7.937 ( 0.712 4.007 -2.606) 4.832 8.316 ( 0.623 -1.091 1.615) 2.046 8.457 ( 1.840 0.979 -1.051) 2.335 8.479 ( 0.066 1.053 1.434) 1.780 8.666 ( -1.974 0.378 -3.555) 4.084 11.826 ( -3.875 3.268 -0.989) 5.165 12.141 ( 1.481 1.648 0.925) 2.401 12.749 ( -0.929 -4.287 -0.086) 4.388 12.868 ( 0.951 0.974 -0.951) 1.661 12.924 ( 1.028 -0.266 1.288) 1.670 13.084 ( 0.189 0.338 -3.719) 3.739 13.113 ( 1.123 0.341 3.043) 3.262 13.201 ( 0.675 0.639 -5.722) 5.797 13.486 ( -3.752 -0.132 7.678) 8.547 14.071 ( 0.738 0.650 -0.962) 1.376 ======================= Grid point 112 (44/192) ======================= q-point: ( 0.44 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 1.307 10.267 5.890) 11.908 1.456 ( 6.058 2.153 0.535) 6.452 1.611 ( 2.429 1.522 -3.856) 4.805 1.804 ( -4.619 4.391 6.426) 9.050 1.967 ( 0.214 1.287 -0.509) 1.400 2.061 ( -0.221 -2.154 0.086) 2.167 2.288 ( 0.033 -1.788 -0.999) 2.049 2.394 ( 1.806 -2.984 0.358) 3.506 2.562 ( 5.822 -0.622 -3.122) 6.635 2.672 ( 0.789 -2.839 -1.837) 3.472 3.257 ( -10.229 1.070 10.470) 14.676 3.595 ( 0.815 3.742 4.815) 6.152 3.897 ( -0.864 0.239 0.628) 1.095 3.962 ( -2.013 1.928 4.723) 5.484 4.856 ( 9.438 -9.417 -10.580) 17.021 5.215 ( 1.878 2.441 0.719) 3.163 5.495 ( -9.473 -3.507 8.994) 13.525 5.932 ( 4.068 7.364 -9.186) 12.457 7.196 ( -0.595 -3.244 -0.081) 3.299 7.362 ( -0.250 5.618 -0.890) 5.693 7.619 ( -2.332 1.929 5.342) 6.140 7.932 ( 1.015 3.510 -2.722) 4.556 8.326 ( -0.439 -1.695 0.502) 1.821 8.483 ( -0.745 0.950 0.659) 1.376 8.491 ( 2.102 1.749 -0.065) 2.735 8.621 ( -0.015 0.898 -2.274) 2.445 11.781 ( -0.635 4.161 0.479) 4.237 12.147 ( -0.584 1.746 -1.607) 2.444 12.740 ( -0.126 -4.153 0.441) 4.178 12.865 ( 0.248 1.337 -1.832) 2.281 12.948 ( 0.317 0.351 1.140) 1.234 13.050 ( -0.529 0.396 -3.676) 3.735 13.160 ( 1.147 -0.338 2.498) 2.770 13.183 ( 1.714 0.008 -3.480) 3.879 13.490 ( -2.807 0.135 8.296) 8.759 14.073 ( 0.411 0.834 -1.216) 1.530 ======================= Grid point 113 (45/192) ======================= q-point: (-0.44 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -10.125 8.878 4.308) 14.138 1.536 ( 2.353 -1.434 0.278) 2.769 1.695 ( -1.683 1.763 1.600) 2.916 1.791 ( 2.252 6.947 6.412) 9.719 1.957 ( -0.511 -2.018 -0.731) 2.206 2.070 ( 0.946 1.242 -0.179) 1.571 2.284 ( 0.503 -2.574 -1.019) 2.813 2.388 ( -2.128 -3.314 0.203) 3.943 2.627 ( 2.517 -1.584 -1.120) 3.178 2.643 ( -1.661 -2.520 -3.950) 4.970 3.162 ( -8.216 4.281 8.884) 12.836 3.637 ( -1.093 4.366 6.548) 7.946 3.854 ( -3.138 -2.046 -1.211) 3.937 3.964 ( -1.943 3.587 4.256) 5.895 4.913 ( 6.535 -9.540 -11.743) 16.480 5.282 ( -10.860 -2.621 5.689) 12.537 5.395 ( 5.488 1.895 6.186) 8.484 5.917 ( 2.616 6.069 -9.788) 11.810 7.205 ( 1.605 -3.362 -0.055) 3.726 7.377 ( 1.989 5.938 0.465) 6.280 7.608 ( -2.912 1.875 4.225) 5.463 7.931 ( 1.233 3.130 -2.557) 4.226 8.310 ( -1.476 -1.367 -0.133) 2.017 8.463 ( -1.563 1.201 -0.169) 1.978 8.513 ( 0.112 2.027 0.949) 2.241 8.645 ( 4.148 -0.062 -1.363) 4.367 11.811 ( 2.627 3.767 1.961) 4.994 12.098 ( -2.215 2.667 -3.708) 5.077 12.750 ( 0.577 -3.867 0.762) 3.983 12.853 ( -0.109 0.550 -1.674) 1.766 12.949 ( -0.712 0.549 0.067) 0.902 13.014 ( -0.201 0.745 -3.226) 3.317 13.185 ( 2.021 -0.716 -1.410) 2.566 13.209 ( 0.764 -0.437 1.681) 1.898 13.514 ( -2.070 0.252 8.526) 8.777 14.067 ( 0.207 1.097 -1.496) 1.867 ======================= Grid point 114 (46/192) ======================= q-point: (-0.33 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -12.622 7.698 7.866) 16.746 1.462 ( -13.356 4.565 2.985) 14.427 1.631 ( -3.167 -2.453 -0.645) 4.058 1.867 ( -0.639 1.728 1.716) 2.518 1.974 ( 2.436 -0.683 1.216) 2.807 2.070 ( -0.368 2.191 -1.580) 2.726 2.289 ( -1.004 -2.897 0.907) 3.198 2.333 ( -4.055 -2.200 1.200) 4.767 2.540 ( -6.153 3.177 -2.400) 7.329 2.632 ( -1.414 -1.017 1.043) 2.030 3.124 ( -0.516 5.352 2.404) 5.890 3.659 ( -3.097 3.399 7.872) 9.116 3.784 ( -2.117 -1.472 -2.920) 3.896 3.949 ( -3.737 4.049 4.472) 7.096 4.901 ( 2.705 -7.062 -13.496) 15.470 5.042 ( -14.652 -1.363 4.491) 15.385 5.675 ( 13.689 -0.621 9.773) 16.831 5.875 ( 1.380 4.092 -9.489) 10.425 7.248 ( 3.233 -3.981 -0.660) 5.171 7.433 ( 2.809 5.102 1.843) 6.109 7.592 ( -1.598 1.879 2.978) 3.867 7.937 ( 1.461 3.259 -2.007) 4.097 8.269 ( -2.698 -0.155 -0.443) 2.739 8.428 ( -1.977 1.383 -0.136) 2.417 8.529 ( 0.840 0.837 1.553) 1.954 8.724 ( 5.167 -0.971 -1.277) 5.410 11.885 ( 2.794 1.426 1.525) 3.488 12.026 ( -1.549 4.771 -3.549) 6.144 12.769 ( 0.741 -3.464 0.596) 3.592 12.834 ( -0.692 -0.556 -1.309) 1.582 12.929 ( -1.251 0.237 -0.138) 1.281 12.996 ( 0.818 1.233 -2.524) 2.926 13.210 ( -0.120 -1.044 1.135) 1.547 13.230 ( 2.192 -0.498 -1.153) 2.526 13.547 ( -1.767 -0.078 8.263) 8.451 14.060 ( 0.384 1.487 -1.505) 2.150 ======================= Grid point 115 (47/192) ======================= q-point: (-0.22 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -14.243 7.952 12.319) 20.442 1.112 ( -24.156 0.911 -5.230) 24.733 1.541 ( -9.090 2.361 4.988) 10.634 1.835 ( -2.970 3.582 -0.253) 4.660 1.980 ( -3.896 1.810 -0.647) 4.344 2.043 ( -3.025 0.195 2.829) 4.146 2.199 ( -6.427 8.038 4.144) 11.094 2.305 ( -1.477 -0.836 0.175) 1.706 2.463 ( -0.437 1.604 -0.217) 1.676 2.607 ( -1.870 -1.234 0.643) 2.331 3.171 ( 5.146 4.020 -2.490) 6.989 3.633 ( -5.376 0.020 5.380) 7.605 3.760 ( 1.633 0.706 -1.946) 2.637 3.897 ( -6.345 4.749 5.617) 9.714 4.782 ( -3.812 -0.768 -9.024) 9.826 4.907 ( -4.246 -4.519 2.426) 6.659 5.824 ( 1.305 2.210 -8.790) 9.157 5.980 ( 10.897 -2.327 7.775) 13.587 7.301 ( 3.413 -4.840 -1.836) 6.201 7.492 ( 0.959 1.245 3.780) 4.093 7.607 ( 1.634 3.973 0.782) 4.367 7.952 ( 1.464 4.243 -1.258) 4.662 8.213 ( -3.113 1.033 0.122) 3.282 8.394 ( -1.760 0.998 0.173) 2.031 8.566 ( 1.624 -0.077 1.433) 2.167 8.799 ( 4.260 -1.790 -2.080) 5.068 11.882 ( -1.626 0.471 -2.424) 2.956 12.040 ( 3.174 4.918 0.994) 5.937 12.781 ( 0.150 -3.160 -0.138) 3.166 12.811 ( -0.698 -1.610 -0.410) 1.802 12.905 ( -1.499 0.154 0.452) 1.574 13.005 ( 2.139 1.319 -1.960) 3.186 13.195 ( -1.793 -0.405 0.544) 1.917 13.271 ( 3.265 -0.890 -2.090) 3.978 13.575 ( -2.160 -1.134 7.451) 7.840 14.059 ( 0.696 2.037 -1.314) 2.522 ======================= Grid point 116 (48/192) ======================= q-point: (-0.11 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( -25.422 3.658 0.017) 25.684 0.726 ( -10.636 13.824 14.865) 22.918 1.374 ( -17.553 16.288 13.863) 27.669 1.753 ( -4.377 3.770 -0.708) 5.820 1.888 ( -4.610 5.985 3.657) 8.393 2.027 ( -0.444 0.207 0.758) 0.902 2.178 ( -0.710 5.094 2.554) 5.742 2.278 ( -1.389 -0.329 0.662) 1.574 2.472 ( 0.721 -0.512 -0.765) 1.169 2.580 ( -1.154 -1.359 -0.307) 1.809 3.259 ( 7.101 3.115 -3.800) 8.635 3.576 ( -3.801 -1.285 1.855) 4.420 3.787 ( 1.759 0.994 -1.008) 2.258 3.821 ( -7.023 5.851 7.766) 11.995 4.670 ( -2.243 -0.206 -5.862) 6.280 4.895 ( 0.121 -3.222 4.771) 5.758 5.788 ( 2.132 1.733 -7.721) 8.196 6.153 ( 3.345 -3.045 1.478) 4.759 7.337 ( 2.579 -5.600 -2.632) 6.703 7.527 ( -0.757 -2.193 4.846) 5.373 7.645 ( 2.129 5.392 -1.545) 6.000 7.965 ( 0.890 5.570 -0.920) 5.715 8.170 ( -2.124 1.370 1.552) 2.966 8.372 ( -0.890 0.367 0.582) 1.125 8.599 ( 1.030 -0.314 -0.066) 1.079 8.840 ( 2.567 -2.343 -3.320) 4.806 11.849 ( -0.053 1.060 -0.568) 1.204 12.097 ( 1.755 3.415 0.725) 3.908 12.771 ( -0.498 -3.553 -0.516) 3.624 12.807 ( -0.254 -2.304 0.647) 2.407 12.883 ( -1.332 0.195 0.778) 1.555 13.039 ( 3.079 1.030 -2.130) 3.883 13.164 ( -1.515 0.190 -0.670) 1.667 13.305 ( 2.608 -0.436 -3.164) 4.123 13.583 ( -3.086 -2.371 6.476) 7.555 14.062 ( 0.702 2.382 -1.255) 2.782 ======================= Grid point 117 (49/192) ======================= q-point: ( 0.00 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 7.269 12.473 17.791) 22.911 1.197 ( 3.725 19.274 5.171) 20.300 1.541 ( -4.679 14.266 2.518) 15.224 1.751 ( -0.833 1.777 -2.151) 2.912 1.987 ( -0.308 2.365 -0.518) 2.441 2.017 ( -0.653 3.354 0.904) 3.534 2.249 ( -0.973 -0.111 1.055) 1.439 2.334 ( -1.618 6.431 1.798) 6.871 2.441 ( -0.055 -0.284 -0.919) 0.963 2.537 ( 0.606 -2.245 0.555) 2.390 3.416 ( 5.118 3.505 -3.729) 7.238 3.540 ( -1.514 3.287 -0.894) 3.727 3.830 ( 1.232 1.476 0.052) 1.923 3.953 ( -5.185 10.678 10.680) 15.968 4.577 ( -0.852 -1.457 -4.566) 4.868 4.964 ( 2.618 -0.298 11.831) 12.121 5.843 ( 3.986 3.666 -4.990) 7.364 6.050 ( -4.543 -3.490 -5.090) 7.664 7.220 ( 0.859 -6.856 -1.801) 7.140 7.452 ( -1.980 -5.791 5.609) 8.302 7.768 ( 0.282 6.516 -3.547) 7.425 8.084 ( 0.098 4.893 -1.155) 5.029 8.223 ( -0.373 4.485 1.605) 4.778 8.379 ( 0.723 0.630 -0.052) 0.960 8.569 ( -0.875 -1.833 -1.301) 2.412 8.775 ( 0.529 -3.691 -3.277) 4.964 11.906 ( 1.414 2.217 2.281) 3.481 12.182 ( -0.781 4.533 -0.967) 4.701 12.678 ( 0.604 -6.223 0.422) 6.267 12.739 ( -0.564 -3.587 0.270) 3.641 12.875 ( -0.557 0.041 0.567) 0.796 13.063 ( 0.805 -1.560 -1.646) 2.407 13.139 ( 0.322 0.795 -1.230) 1.499 13.315 ( 2.782 -0.267 -4.307) 5.134 13.539 ( -4.275 0.781 6.144) 7.525 14.093 ( 0.094 0.503 -1.872) 1.941 ======================= Grid point 118 (50/192) ======================= q-point: ( 0.11 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 9.311 8.245 11.562) 16.981 1.252 ( -2.232 13.158 7.607) 15.362 1.532 ( 1.037 10.589 3.736) 11.276 1.806 ( 8.860 1.650 -3.492) 9.665 1.985 ( -0.131 4.036 1.321) 4.249 2.014 ( -0.126 3.022 0.370) 3.047 2.218 ( -2.843 0.692 -1.209) 3.166 2.305 ( -1.636 -0.287 -0.275) 1.684 2.470 ( 2.424 2.626 0.809) 3.664 2.552 ( 0.934 -1.016 0.099) 1.384 3.462 ( 1.498 2.492 -0.732) 2.998 3.510 ( 0.423 3.148 -3.386) 4.643 3.866 ( 2.230 1.238 0.967) 2.728 3.966 ( -3.174 11.205 11.629) 16.458 4.541 ( 0.896 -2.059 -4.301) 4.852 5.129 ( 3.715 -1.733 14.064) 14.649 5.829 ( -7.370 0.139 -9.549) 12.063 5.921 ( 3.141 3.151 -3.590) 5.717 7.213 ( -0.385 -6.119 -1.379) 6.284 7.471 ( -0.650 -5.038 5.202) 7.271 7.718 ( -2.481 7.002 -3.609) 8.259 8.072 ( -0.252 5.674 -1.235) 5.812 8.245 ( 1.229 2.534 1.855) 3.372 8.405 ( 2.015 1.062 0.112) 2.281 8.529 ( -1.752 -1.225 -1.938) 2.885 8.750 ( -0.322 -2.925 -3.367) 4.472 11.955 ( 0.892 1.240 2.960) 3.331 12.154 ( -0.560 5.325 -1.398) 5.534 12.686 ( -0.616 -6.779 0.257) 6.812 12.753 ( 2.267 -2.854 0.467) 3.674 12.875 ( 0.160 -0.217 0.469) 0.541 13.056 ( 0.032 -2.003 -1.317) 2.397 13.143 ( 0.908 2.241 -0.938) 2.593 13.315 ( 1.498 1.495 -5.717) 6.096 13.513 ( -4.245 0.357 7.127) 8.303 14.078 ( 0.126 -0.131 -2.172) 2.180 ======================= Grid point 119 (51/192) ======================= q-point: ( 0.22 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 2.411 11.998 6.063) 13.657 1.318 ( 4.719 10.633 -0.376) 11.639 1.629 ( 4.078 -2.280 6.978) 8.398 1.917 ( 3.676 -2.519 -2.270) 5.001 1.977 ( -1.585 6.614 -0.824) 6.851 2.073 ( 5.736 3.265 1.983) 6.892 2.135 ( -3.007 0.360 -2.723) 4.073 2.281 ( -0.641 -1.604 -0.689) 1.860 2.503 ( 1.177 0.568 -1.162) 1.749 2.581 ( 1.747 -0.820 0.499) 1.993 3.438 ( -4.831 2.145 3.891) 6.563 3.524 ( 4.660 2.413 -5.969) 7.948 3.915 ( 1.652 0.658 1.280) 2.191 4.013 ( -2.836 11.376 12.838) 17.386 4.545 ( 4.148 -4.444 -6.047) 8.575 5.295 ( 1.271 -3.199 14.164) 14.576 5.572 ( -9.609 1.280 -9.028) 13.247 5.995 ( 6.059 5.661 -3.718) 9.088 7.186 ( -1.534 -4.611 -0.593) 4.896 7.507 ( 0.529 -2.033 3.015) 3.675 7.640 ( -3.231 5.752 -1.073) 6.685 8.057 ( -0.170 6.064 -1.486) 6.246 8.284 ( 1.347 1.180 1.273) 2.197 8.448 ( 2.759 1.477 -0.717) 3.210 8.492 ( -0.714 -0.399 -0.808) 1.150 8.713 ( -1.023 -1.301 -2.626) 3.104 11.956 ( -2.379 2.314 0.855) 3.428 12.163 ( 2.018 5.199 -0.081) 5.578 12.668 ( -1.134 -6.179 -0.070) 6.282 12.811 ( 3.114 -2.446 0.628) 4.009 12.888 ( 0.796 -0.604 0.618) 1.175 13.052 ( 0.473 -2.146 -0.816) 2.344 13.150 ( 0.541 2.894 -0.711) 3.028 13.281 ( 0.432 2.580 -6.746) 7.235 13.498 ( -4.020 0.545 7.835) 8.823 14.069 ( 0.749 -0.655 -1.809) 2.065 ======================= Grid point 120 (52/192) ======================= q-point: ( 0.33 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 6.284 10.640 -2.277) 12.565 1.407 ( 5.273 5.413 4.255) 8.672 1.707 ( -1.026 -1.196 -0.230) 1.593 1.909 ( -1.616 6.543 -1.642) 6.937 1.958 ( 1.258 -4.229 0.106) 4.414 2.044 ( -2.572 1.371 -0.672) 2.991 2.237 ( 6.012 -0.020 1.542) 6.207 2.271 ( 1.054 -1.637 -1.101) 2.236 2.507 ( 1.070 -1.534 -2.657) 3.249 2.606 ( 0.785 -2.633 -0.103) 2.750 3.370 ( -6.110 2.582 4.696) 8.127 3.576 ( 5.201 1.515 -3.198) 6.290 3.929 ( -1.044 -0.459 0.183) 1.155 4.056 ( -4.167 10.755 13.677) 17.891 4.591 ( 6.900 -7.526 -8.278) 13.145 5.329 ( -4.204 2.921 -0.458) 5.140 5.438 ( -3.849 -3.637 8.121) 9.695 6.059 ( 4.807 6.230 -5.553) 9.631 7.155 ( -1.578 -3.130 0.183) 3.510 7.510 ( -0.418 5.301 -2.345) 5.811 7.619 ( -1.115 0.185 5.385) 5.502 8.041 ( 0.069 5.816 -2.274) 6.245 8.306 ( 0.471 0.506 -0.017) 0.691 8.488 ( 2.996 1.949 -1.953) 4.073 8.494 ( 0.442 0.306 0.880) 1.031 8.675 ( -1.385 0.607 -1.250) 1.962 11.911 ( -2.361 4.876 0.231) 5.422 12.199 ( 1.654 4.314 -0.489) 4.646 12.650 ( -0.804 -5.535 0.365) 5.605 12.862 ( 2.028 -1.651 -0.491) 2.661 12.913 ( 1.072 -0.815 1.482) 2.003 13.054 ( 0.450 -2.402 -1.570) 2.904 13.155 ( 0.345 3.000 0.352) 3.041 13.233 ( 0.545 2.581 -6.855) 7.345 13.493 ( -3.518 1.022 8.269) 9.044 14.074 ( 1.071 -0.681 -1.329) 1.838 ======================= Grid point 121 (53/192) ======================= q-point: ( 0.44 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 5.599 3.249 -3.042) 7.153 1.534 ( -1.859 9.377 2.598) 9.906 1.622 ( 1.192 -1.374 -2.369) 2.987 1.897 ( 1.326 3.319 -2.388) 4.299 1.983 ( -1.605 -0.989 1.941) 2.706 2.023 ( 0.878 1.014 2.253) 2.622 2.252 ( -0.183 -1.513 -1.144) 1.905 2.341 ( 2.189 -2.033 -0.503) 3.030 2.510 ( 2.386 -4.824 -2.837) 6.084 2.612 ( 0.380 -2.667 -1.005) 2.875 3.300 ( -5.830 3.597 5.502) 8.786 3.658 ( 4.963 1.911 -0.180) 5.321 3.884 ( -3.106 -1.497 -0.988) 3.587 4.079 ( -4.987 10.026 13.244) 17.343 4.653 ( 7.483 -9.599 -9.344) 15.344 5.293 ( 0.593 5.441 1.863) 5.782 5.407 ( -7.481 -5.254 7.968) 12.126 6.075 ( 2.720 6.016 -7.740) 10.173 7.137 ( -0.627 -2.360 0.625) 2.520 7.492 ( 0.658 7.326 -1.501) 7.507 7.641 ( -1.844 -0.532 5.281) 5.619 8.026 ( 0.499 5.388 -2.904) 6.141 8.304 ( -0.066 0.023 -1.132) 1.135 8.499 ( -0.221 0.439 -0.397) 0.631 8.536 ( 3.274 2.550 -0.569) 4.189 8.645 ( -1.290 1.639 -0.149) 2.091 11.889 ( -0.561 6.157 1.142) 6.287 12.208 ( 0.329 4.589 -1.861) 4.963 12.647 ( -0.212 -5.195 1.081) 5.311 12.873 ( 0.310 -0.805 -1.645) 1.857 12.943 ( 0.391 -0.915 1.832) 2.085 13.037 ( -0.135 -1.668 -2.920) 3.365 13.173 ( 0.620 1.617 1.594) 2.354 13.200 ( 1.626 2.014 -6.068) 6.597 13.504 ( -2.654 1.464 8.769) 9.278 14.082 ( 0.770 -0.342 -1.217) 1.480 ======================= Grid point 122 (54/192) ======================= q-point: (-0.44 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -8.977 8.994 -1.478) 12.793 1.510 ( 3.596 -0.336 -0.296) 3.624 1.684 ( -0.938 -2.223 -1.231) 2.709 1.905 ( 1.325 1.050 -1.965) 2.593 1.960 ( -0.912 4.518 2.939) 5.466 2.079 ( 2.327 -0.588 1.584) 2.876 2.240 ( 0.141 -1.059 -0.646) 1.248 2.327 ( -1.869 -2.611 -0.852) 3.322 2.546 ( 2.880 -5.511 -2.577) 6.731 2.603 ( -0.113 -1.981 -1.604) 2.552 3.254 ( -3.799 4.914 5.128) 8.054 3.737 ( 2.399 4.013 2.405) 5.257 3.818 ( -2.709 -1.432 -1.835) 3.571 4.085 ( -5.306 9.488 11.732) 15.994 4.705 ( 6.109 -9.992 -9.097) 14.829 5.239 ( -12.150 -2.133 5.461) 13.490 5.435 ( 7.239 2.657 5.297) 9.355 6.037 ( 0.625 5.102 -9.210) 10.547 7.143 ( 0.733 -2.580 0.653) 2.760 7.509 ( 1.115 6.807 0.580) 6.922 7.634 ( -2.089 0.478 3.420) 4.036 8.015 ( 0.979 4.937 -3.020) 5.870 8.292 ( -0.180 -0.077 -1.156) 1.173 8.481 ( -0.797 0.289 -1.472) 1.699 8.572 ( -0.332 3.665 0.824) 3.771 8.644 ( 2.177 0.082 -0.210) 2.189 11.906 ( 0.811 5.318 1.947) 5.721 12.184 ( -0.661 5.999 -2.857) 6.677 12.659 ( 0.333 -5.197 1.552) 5.434 12.853 ( -0.909 -0.681 -1.800) 2.128 12.947 ( -1.108 -0.875 0.683) 1.568 13.015 ( 0.357 -0.823 -2.510) 2.666 13.187 ( 1.070 0.877 -1.736) 2.220 13.204 ( 1.833 0.478 -1.701) 2.546 13.533 ( -2.112 1.857 8.873) 9.308 14.083 ( 0.488 0.064 -1.224) 1.319 ======================= Grid point 123 (55/192) ======================= q-point: (-0.33 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -9.265 9.289 0.725) 13.140 1.487 ( -12.353 -1.460 -4.651) 13.280 1.582 ( 0.014 -0.155 0.648) 0.667 1.913 ( 1.129 1.509 -1.892) 2.670 1.998 ( 0.883 2.632 2.981) 4.073 2.102 ( 0.262 1.021 -2.176) 2.418 2.269 ( 1.539 0.509 3.178) 3.568 2.288 ( -1.664 -2.088 0.332) 2.690 2.542 ( -0.477 -1.959 -3.711) 4.223 2.594 ( -0.351 -3.114 -0.034) 3.134 3.246 ( -0.454 5.952 2.728) 6.563 3.751 ( -3.351 0.537 -1.942) 3.910 3.779 ( -0.046 5.281 3.352) 6.255 4.072 ( -5.675 8.977 9.808) 14.456 4.726 ( 3.798 -8.788 -8.537) 12.827 5.038 ( -12.579 0.361 3.433) 13.044 5.663 ( 11.077 -0.173 7.612) 13.441 5.961 ( -0.459 3.996 -9.216) 10.056 7.170 ( 1.697 -3.658 0.135) 4.035 7.509 ( -3.113 1.285 3.429) 4.807 7.655 ( 2.945 5.110 0.244) 5.903 8.019 ( 1.808 4.561 -1.935) 5.274 8.275 ( -0.929 0.879 -0.894) 1.560 8.453 ( -1.027 0.397 -1.454) 1.824 8.558 ( -1.274 2.212 1.251) 2.843 8.700 ( 3.561 -1.299 -0.519) 3.826 11.930 ( -0.018 3.088 0.880) 3.211 12.153 ( -0.067 7.634 -1.989) 7.889 12.679 ( 0.397 -5.451 1.444) 5.653 12.815 ( -1.687 -1.296 -1.466) 2.584 12.925 ( -1.466 -0.683 0.391) 1.664 13.010 ( 0.954 -0.195 -1.914) 2.147 13.190 ( 0.188 -0.751 -0.930) 1.211 13.225 ( 2.520 0.275 -2.642) 3.661 13.562 ( -2.334 1.864 8.224) 8.750 14.084 ( 0.700 0.487 -1.012) 1.324 ======================= Grid point 124 (56/192) ======================= q-point: (-0.22 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -13.772 3.993 -1.792) 14.451 1.171 ( -12.017 11.307 -2.439) 16.680 1.606 ( -0.182 3.401 2.572) 4.268 1.905 ( -0.787 2.290 -2.053) 3.175 2.013 ( -0.737 0.695 0.783) 1.280 2.070 ( -2.084 3.408 -0.823) 4.079 2.262 ( -1.694 -1.449 2.082) 3.050 2.330 ( 1.488 2.901 2.217) 3.943 2.492 ( -1.646 0.583 -2.493) 3.044 2.572 ( -2.437 -2.474 0.844) 3.573 3.280 ( 3.152 5.962 -0.576) 6.769 3.663 ( -4.645 2.942 -1.042) 5.596 3.799 ( 0.274 3.686 1.673) 4.057 4.034 ( -6.686 9.217 9.126) 14.592 4.703 ( 1.347 -5.995 -9.161) 11.031 4.883 ( -7.839 1.727 6.452) 10.299 5.866 ( 2.400 1.444 -6.160) 6.767 5.936 ( 7.328 -1.389 3.985) 8.456 7.199 ( 1.675 -5.163 -0.945) 5.509 7.474 ( -3.776 -2.700 4.674) 6.587 7.719 ( 4.163 6.616 -1.849) 8.032 8.049 ( 2.312 4.880 -0.343) 5.411 8.246 ( -1.498 2.310 -0.271) 2.766 8.419 ( -1.698 1.084 -0.934) 2.220 8.559 ( 0.450 -0.341 0.934) 1.091 8.753 ( 2.831 -2.640 -1.260) 4.071 11.912 ( -1.521 2.556 -0.895) 3.106 12.160 ( 1.383 6.819 0.092) 6.958 12.689 ( -0.304 -5.903 0.547) 5.936 12.774 ( -1.714 -2.115 -0.479) 2.764 12.903 ( -1.433 -0.398 0.728) 1.655 13.021 ( 1.847 0.058 -1.545) 2.409 13.176 ( -0.765 -1.323 -0.956) 1.802 13.255 ( 3.321 -0.420 -3.356) 4.741 13.574 ( -3.053 1.498 7.095) 7.868 14.092 ( 0.941 0.843 -0.853) 1.524 ======================= Grid point 125 (57/192) ======================= q-point: (-0.11 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -12.065 12.396 3.459) 17.641 1.103 ( 0.785 19.546 3.517) 19.876 1.601 ( -2.804 7.047 2.153) 7.885 1.835 ( -5.191 3.777 -1.278) 6.546 2.000 ( -0.440 0.196 -0.770) 0.908 2.030 ( -1.956 4.737 1.071) 5.236 2.254 ( -1.011 -0.877 1.709) 2.171 2.344 ( -1.149 7.999 1.407) 8.202 2.463 ( -0.889 -0.274 -0.107) 0.937 2.535 ( -1.408 -3.202 0.279) 3.509 3.345 ( 5.327 4.944 -2.947) 7.842 3.585 ( -3.024 3.216 -0.719) 4.473 3.815 ( 0.684 2.009 0.043) 2.122 3.983 ( -6.899 10.192 9.836) 15.755 4.639 ( -0.732 -2.678 -7.103) 7.626 4.865 ( -1.476 0.741 9.425) 9.569 5.834 ( 1.956 2.882 -6.580) 7.445 6.079 ( 3.344 -4.058 1.018) 5.356 7.214 ( 1.299 -6.443 -1.759) 6.804 7.453 ( -2.909 -4.947 5.355) 7.849 7.764 ( 2.850 6.281 -3.004) 7.523 8.081 ( 1.152 4.866 -0.485) 5.024 8.226 ( -1.023 4.292 1.074) 4.541 8.384 ( -1.063 0.777 -0.604) 1.448 8.576 ( 0.581 -1.715 -0.054) 1.812 8.779 ( 1.627 -3.523 -2.368) 4.546 11.886 ( -0.438 2.749 0.138) 2.787 12.185 ( 0.806 5.117 0.104) 5.182 12.678 ( -0.680 -6.000 -0.196) 6.042 12.751 ( -1.052 -3.202 0.539) 3.413 12.885 ( -1.147 -0.071 0.734) 1.363 13.048 ( 2.085 -0.373 -1.432) 2.556 13.153 ( -0.616 -0.911 -1.346) 1.738 13.289 ( 3.374 -0.976 -3.625) 5.048 13.564 ( -3.785 1.141 6.164) 7.323 14.099 ( 0.621 0.874 -1.209) 1.616 ======================= Grid point 126 (58/192) ======================= q-point: ( 0.00 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 2.791 15.249 9.315) 18.086 1.493 ( -0.098 10.828 2.885) 11.206 1.708 ( 4.432 2.829 -1.340) 5.426 1.791 ( -4.787 2.080 -1.911) 5.558 1.974 ( -0.033 -0.577 3.276) 3.327 2.143 ( 1.647 4.791 -3.020) 5.898 2.240 ( -0.783 0.236 1.010) 1.300 2.369 ( -4.404 -2.263 -1.777) 5.261 2.471 ( 0.681 -0.812 2.569) 2.779 2.505 ( 1.712 1.888 -0.184) 2.555 3.500 ( 5.338 5.116 -5.795) 9.394 3.654 ( 0.878 6.667 -5.590) 8.745 3.869 ( -0.114 3.373 0.322) 3.390 4.164 ( -1.663 8.175 3.530) 9.058 4.595 ( -4.315 4.833 5.497) 8.497 4.973 ( 0.524 0.736 12.642) 12.675 5.918 ( 3.602 3.431 -3.629) 6.157 5.985 ( -3.094 -2.923 -4.176) 5.963 7.093 ( 0.020 -5.328 0.831) 5.392 7.326 ( -1.765 -6.506 4.966) 8.373 7.894 ( 1.627 5.968 -5.029) 7.973 8.146 ( 0.921 1.340 -0.854) 1.836 8.316 ( -1.526 3.797 -0.318) 4.104 8.397 ( 1.688 1.508 -0.127) 2.267 8.527 ( -1.090 -2.031 -0.856) 2.459 8.702 ( 0.146 -3.526 -1.580) 3.867 11.968 ( 0.517 4.007 2.023) 4.518 12.279 ( -0.331 5.050 -1.431) 5.259 12.527 ( -0.108 -8.463 0.770) 8.499 12.666 ( 0.188 -3.769 -0.432) 3.798 12.874 ( -0.562 -0.055 0.469) 0.734 13.007 ( 0.199 -3.758 -1.017) 3.898 13.165 ( 1.497 1.907 -0.607) 2.500 13.307 ( 2.609 -0.355 -1.873) 3.231 13.599 ( -3.526 4.841 3.608) 6.992 14.072 ( -0.373 -2.740 -2.059) 3.448 ======================= Grid point 127 (59/192) ======================= q-point: ( 0.11 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 4.725 7.583 10.136) 13.512 1.468 ( -2.736 8.426 2.921) 9.328 1.681 ( -4.383 3.844 -0.893) 5.898 1.826 ( 6.498 -0.334 -2.771) 7.072 2.020 ( 1.984 1.859 4.521) 5.276 2.150 ( 1.696 6.247 -2.922) 7.102 2.206 ( -3.181 -1.562 -1.590) 3.884 2.292 ( -1.743 -0.185 -1.890) 2.578 2.488 ( -0.358 -1.789 1.134) 2.148 2.535 ( 0.900 -0.001 1.026) 1.364 3.533 ( 1.657 4.523 -2.812) 5.578 3.622 ( 1.861 7.477 -7.996) 11.104 3.890 ( 1.851 1.853 0.359) 2.644 4.183 ( 0.401 7.819 3.689) 8.655 4.557 ( -4.823 5.353 5.891) 9.307 5.104 ( 1.465 -1.279 14.439) 14.569 5.820 ( -7.810 -0.359 -7.752) 11.011 5.988 ( 5.175 2.393 -1.915) 6.014 7.105 ( 0.175 -4.096 1.340) 4.313 7.359 ( 0.943 -5.943 5.005) 7.827 7.856 ( -1.338 6.888 -5.326) 8.809 8.160 ( 1.122 2.627 -1.029) 3.036 8.298 ( 0.078 2.277 0.221) 2.289 8.433 ( 2.171 1.538 -0.173) 2.666 8.494 ( -1.051 -1.830 -1.753) 2.743 8.693 ( 0.269 -2.597 -1.320) 2.926 11.998 ( 0.494 3.116 2.410) 3.970 12.267 ( 0.783 5.810 -1.773) 6.124 12.533 ( -0.042 -8.186 0.462) 8.199 12.690 ( 2.675 -3.496 -0.151) 4.404 12.870 ( -0.192 -0.210 0.374) 0.470 13.002 ( 0.221 -3.228 -0.934) 3.368 13.190 ( 1.381 2.621 0.105) 2.964 13.335 ( 2.193 0.438 -2.906) 3.666 13.562 ( -3.882 4.321 4.367) 7.267 14.045 ( -0.310 -3.244 -2.639) 4.193 ======================= Grid point 128 (60/192) ======================= q-point: ( 0.22 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 2.186 2.337 6.834) 7.546 1.471 ( 0.587 5.152 -0.632) 5.223 1.645 ( 0.871 2.825 2.524) 3.887 1.878 ( 2.094 -1.853 -2.578) 3.803 2.084 ( -0.178 2.511 2.492) 3.543 2.116 ( -3.468 -1.501 -3.876) 5.414 2.177 ( 4.165 5.045 -1.204) 6.652 2.267 ( -0.140 1.436 -1.457) 2.051 2.478 ( -0.958 -2.742 -0.561) 2.958 2.546 ( -0.631 -2.622 1.145) 2.930 3.512 ( -3.189 4.787 1.887) 6.054 3.604 ( 4.523 5.941 -11.032) 13.322 3.923 ( 1.220 0.619 -0.537) 1.469 4.230 ( 0.923 7.236 4.516) 8.579 4.518 ( -3.817 3.983 4.520) 7.132 5.233 ( -0.515 -3.573 14.718) 15.154 5.610 ( -7.534 2.912 -7.415) 10.965 6.071 ( 5.296 1.237 -2.223) 5.876 7.117 ( -0.337 -1.762 1.845) 2.573 7.435 ( 2.894 -4.682 4.835) 7.326 7.772 ( -2.978 7.231 -4.842) 9.198 8.159 ( 0.053 3.289 -2.162) 3.936 8.317 ( 1.390 1.772 0.243) 2.265 8.461 ( 0.608 -1.706 0.844) 1.999 8.491 ( 2.949 2.171 -2.457) 4.410 8.691 ( 0.195 -0.829 -0.326) 0.912 12.013 ( -0.607 3.548 1.694) 3.978 12.283 ( 2.269 6.438 -1.559) 7.002 12.532 ( -0.184 -7.100 0.145) 7.104 12.750 ( 3.600 -3.627 0.015) 5.111 12.875 ( 0.393 -0.522 0.645) 0.918 13.001 ( 0.332 -2.851 -0.716) 2.958 13.213 ( 0.948 3.446 0.211) 3.580 13.331 ( 1.058 2.049 -5.636) 6.090 13.535 ( -3.689 3.325 6.489) 8.172 14.027 ( 0.567 -3.703 -2.119) 4.304 ======================= Grid point 129 (61/192) ======================= q-point: ( 0.33 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 1.446 0.290 -3.725) 4.007 1.476 ( 2.893 0.545 3.875) 4.867 1.708 ( 1.370 2.096 2.277) 3.385 1.884 ( 0.819 -2.409 -1.372) 2.890 2.021 ( -2.164 2.013 -3.464) 4.553 2.081 ( -0.752 1.791 -0.328) 1.970 2.254 ( -0.076 1.316 -1.452) 1.961 2.260 ( 4.324 1.442 0.413) 4.577 2.439 ( -2.385 -4.582 -1.865) 5.492 2.546 ( 0.096 -3.451 0.848) 3.555 3.461 ( -3.802 6.062 1.780) 7.374 3.617 ( 5.448 3.130 -7.885) 10.082 3.911 ( -1.314 -0.657 -2.014) 2.493 4.278 ( -0.761 7.887 6.768) 10.421 4.498 ( -0.856 0.820 1.556) 1.956 5.299 ( -4.740 -6.475 12.970) 15.252 5.465 ( -2.757 6.950 -3.977) 8.469 6.131 ( 3.749 0.218 -3.935) 5.439 7.122 ( -0.785 0.409 2.066) 2.248 7.527 ( 2.743 -3.675 4.461) 6.398 7.689 ( -2.248 7.103 -3.309) 8.152 8.133 ( -0.281 2.387 -3.064) 3.894 8.339 ( 1.179 2.428 -1.321) 3.005 8.486 ( 1.009 -1.142 0.794) 1.718 8.534 ( 3.440 2.905 -1.869) 4.875 8.694 ( -0.208 1.191 0.752) 1.424 12.011 ( -0.773 5.138 1.401) 5.381 12.314 ( 2.304 6.854 -1.798) 7.451 12.530 ( -0.236 -6.369 0.448) 6.390 12.806 ( 2.563 -3.695 -0.484) 4.523 12.895 ( 0.801 -0.865 1.284) 1.743 13.001 ( 0.244 -2.790 -0.864) 2.931 13.226 ( 0.416 3.979 -0.207) 4.007 13.292 ( 0.575 2.925 -7.061) 7.664 13.532 ( -2.981 3.006 7.850) 8.919 14.032 ( 1.208 -3.761 -1.066) 4.091 ======================= Grid point 130 (62/192) ======================= q-point: ( 0.44 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 1.646 -1.817 -4.251) 4.907 1.547 ( 0.533 -5.059 -0.024) 5.087 1.711 ( -0.571 6.324 0.918) 6.416 1.890 ( 0.965 -1.798 -1.089) 2.313 2.009 ( 1.554 1.140 0.785) 2.081 2.061 ( -0.781 2.137 -1.564) 2.761 2.241 ( 0.110 0.751 -1.421) 1.611 2.310 ( 0.528 -1.321 -1.829) 2.317 2.396 ( 0.568 -5.547 -0.498) 5.598 2.558 ( 0.514 -3.096 0.089) 3.140 3.408 ( -2.943 6.936 0.588) 7.557 3.678 ( 5.804 0.483 -3.110) 6.602 3.858 ( -1.545 -0.199 -3.439) 3.776 4.306 ( -3.135 9.149 9.135) 13.304 4.515 ( 2.270 -2.133 -0.825) 3.222 5.270 ( -7.949 -7.463 9.920) 14.741 5.445 ( 1.484 8.734 0.502) 8.874 6.139 ( 1.607 -0.231 -6.248) 6.456 7.122 ( -0.956 1.357 1.965) 2.573 7.587 ( -1.008 -4.567 4.644) 6.591 7.651 ( 1.289 8.462 -2.368) 8.881 8.112 ( 0.715 2.274 -3.068) 3.885 8.333 ( 0.137 2.577 -3.063) 4.005 8.493 ( 0.077 -1.064 -1.563) 1.892 8.588 ( 3.064 2.875 0.290) 4.211 8.689 ( -1.251 2.562 1.032) 3.032 12.011 ( -0.570 6.014 1.666) 6.266 12.332 ( 1.456 7.642 -2.310) 8.116 12.533 ( -0.103 -6.183 1.221) 6.303 12.831 ( 0.811 -3.281 -1.061) 3.543 12.917 ( 0.157 -1.375 1.647) 2.151 12.994 ( 0.051 -2.456 -1.456) 2.856 13.225 ( 0.027 3.401 -0.885) 3.515 13.252 ( 1.314 2.809 -6.777) 7.452 13.552 ( -2.019 3.435 8.682) 9.553 14.047 ( 0.929 -3.376 -0.426) 3.527 ======================= Grid point 131 (63/192) ======================= q-point: (-0.44 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -3.074 -3.511 -3.462) 5.811 1.514 ( -0.267 -2.479 -1.421) 2.870 1.701 ( -2.540 4.460 -0.615) 5.169 1.905 ( 1.413 -1.060 -1.512) 2.325 2.033 ( -0.210 0.853 -0.112) 0.885 2.061 ( 2.358 0.879 1.002) 2.709 2.248 ( 1.665 1.358 -0.028) 2.149 2.282 ( -0.745 -1.938 -2.012) 2.891 2.435 ( 2.882 -5.145 -0.725) 5.941 2.557 ( -0.459 -2.707 -0.674) 2.827 3.371 ( -1.109 7.033 -0.220) 7.124 3.744 ( 1.184 -2.528 -0.051) 2.792 3.834 ( 3.869 3.206 -4.933) 7.042 4.309 ( -4.482 9.357 9.036) 13.758 4.559 ( 2.853 -2.528 -0.108) 3.814 5.176 ( -9.936 -4.444 7.269) 13.089 5.521 ( 5.055 6.149 3.685) 8.772 6.093 ( -0.157 0.009 -8.141) 8.142 7.120 ( -0.871 0.766 1.781) 2.125 7.556 ( -4.877 -3.249 3.278) 6.715 7.703 ( 4.592 7.616 -0.317) 8.899 8.106 ( 1.325 3.430 -3.459) 5.048 8.308 ( 0.051 1.523 -2.529) 2.952 8.467 ( -0.792 -1.671 -2.969) 3.497 8.639 ( 1.861 2.297 0.433) 2.988 8.664 ( -2.212 2.437 1.233) 3.514 12.014 ( -0.725 5.525 1.709) 5.828 12.329 ( 0.311 7.883 -2.415) 8.251 12.546 ( 0.079 -5.870 1.862) 6.159 12.820 ( -0.913 -2.618 -1.331) 3.076 12.920 ( -1.126 -1.507 1.252) 2.259 12.985 ( 0.411 -2.059 -1.540) 2.603 13.213 ( -0.215 1.958 -1.846) 2.700 13.236 ( 2.280 2.173 -5.490) 6.329 13.591 ( -1.649 3.957 8.766) 9.758 14.057 ( 0.521 -2.835 -0.128) 2.886 ======================= Grid point 132 (64/192) ======================= q-point: (-0.33 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -7.245 -0.886 -3.444) 8.071 1.497 ( -2.993 0.910 -1.914) 3.668 1.637 ( -0.830 5.043 -0.324) 5.121 1.911 ( 1.206 -1.899 -2.509) 3.370 2.043 ( -0.298 1.679 1.461) 2.246 2.107 ( 2.281 -0.057 -0.370) 2.311 2.256 ( -0.955 -1.022 -0.449) 1.469 2.299 ( 2.577 2.031 2.112) 3.902 2.474 ( 2.399 -5.183 -1.557) 5.920 2.532 ( -1.283 -2.177 -1.329) 2.855 3.367 ( 1.441 6.724 -1.548) 7.049 3.732 ( 0.016 -1.443 -3.137) 3.453 3.889 ( 3.571 4.620 -2.280) 6.268 4.285 ( -5.381 8.871 7.331) 12.704 4.607 ( 1.427 -0.997 1.798) 2.503 5.039 ( -10.078 -0.521 5.464) 11.476 5.679 ( 7.919 1.991 5.437) 9.810 6.015 ( -0.773 0.930 -8.560) 8.645 7.118 ( -0.844 -1.018 1.469) 1.976 7.480 ( -6.169 -3.579 3.387) 7.895 7.790 ( 5.216 7.832 -1.255) 9.493 8.106 ( 1.772 3.802 -2.933) 5.119 8.300 ( 0.221 1.330 -0.955) 1.653 8.430 ( -0.329 -2.577 -2.817) 3.832 8.614 ( -3.054 2.959 0.663) 4.304 8.680 ( 1.268 -0.628 0.567) 1.524 12.007 ( -1.335 4.618 1.012) 4.913 12.311 ( -0.253 7.536 -1.698) 7.729 12.559 ( -0.479 -6.127 1.840) 6.415 12.779 ( -2.259 -2.401 -1.364) 3.568 12.905 ( -1.308 -1.158 0.987) 2.007 12.986 ( 0.814 -2.037 -0.989) 2.406 13.190 ( -0.204 0.867 -2.994) 3.124 13.242 ( 2.443 1.169 -4.083) 4.900 13.624 ( -2.064 4.302 7.771) 9.119 14.067 ( 0.629 -2.361 0.113) 2.446 ======================= Grid point 133 (65/192) ======================= q-point: (-0.22 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -6.453 6.524 -3.007) 9.656 1.407 ( -3.075 9.189 -0.811) 9.723 1.669 ( 2.209 2.872 0.778) 3.705 1.911 ( 0.752 -1.682 -2.145) 2.828 2.020 ( -3.711 0.644 1.786) 4.168 2.133 ( 1.626 1.275 -2.074) 2.928 2.243 ( -0.765 0.145 0.956) 1.233 2.364 ( 2.165 1.132 3.216) 4.039 2.491 ( 0.044 -4.868 -0.886) 4.948 2.498 ( -0.575 -0.410 -2.102) 2.218 3.396 ( 3.918 6.243 -3.633) 8.218 3.705 ( 0.751 0.823 -5.270) 5.386 3.907 ( -0.168 6.159 -0.702) 6.201 4.236 ( -5.319 8.240 5.396) 11.194 4.632 ( -0.707 1.012 2.642) 2.916 4.925 ( -7.289 1.893 6.988) 10.274 5.864 ( 7.309 -0.884 3.023) 7.958 5.946 ( 0.463 1.527 -6.172) 6.375 7.110 ( -1.104 -3.204 0.883) 3.502 7.398 ( -5.732 -4.624 3.972) 8.368 7.856 ( 4.277 6.940 -4.053) 9.104 8.128 ( 1.901 2.820 -0.859) 3.508 8.296 ( 0.364 2.315 -0.196) 2.352 8.415 ( 0.083 -1.500 -1.493) 2.118 8.568 ( -2.242 1.229 0.556) 2.616 8.700 ( 0.837 -2.478 -0.110) 2.618 11.983 ( -1.758 4.482 0.271) 4.822 12.298 ( -0.127 6.528 -0.717) 6.568 12.554 ( -1.344 -7.194 1.172) 7.412 12.725 ( -2.468 -2.892 -0.924) 3.913 12.891 ( -1.044 -0.677 0.968) 1.577 12.997 ( 0.984 -2.489 -0.549) 2.732 13.163 ( 0.101 0.489 -3.038) 3.079 13.256 ( 2.396 0.343 -3.312) 4.102 13.637 ( -2.610 4.588 6.115) 8.078 14.080 ( 0.693 -2.173 -0.056) 2.281 ======================= Grid point 134 (66/192) ======================= q-point: (-0.11 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -2.579 16.039 2.907) 16.503 1.416 ( 3.662 11.419 1.343) 12.066 1.694 ( 0.369 2.863 -0.974) 3.047 1.885 ( -2.829 0.866 -1.891) 3.511 1.968 ( -2.784 -1.376 3.369) 4.582 2.139 ( 1.453 3.043 -3.010) 4.520 2.240 ( -0.560 0.564 1.271) 1.499 2.425 ( 1.529 -0.027 3.515) 3.833 2.452 ( -3.354 -4.030 -0.344) 5.255 2.488 ( 1.074 2.112 -2.214) 3.243 3.446 ( 5.368 5.584 -5.468) 9.481 3.678 ( 1.181 4.098 -5.674) 7.098 3.885 ( -1.495 5.585 0.096) 5.783 4.187 ( -3.956 8.019 3.972) 9.784 4.624 ( -2.838 3.101 3.709) 5.606 4.901 ( -2.882 2.073 10.192) 10.792 5.900 ( 2.047 3.445 -5.294) 6.639 6.001 ( 3.134 -3.564 0.293) 4.755 7.096 ( -0.870 -4.889 0.542) 4.996 7.342 ( -4.093 -5.908 4.598) 8.533 7.887 ( 3.298 5.822 -5.047) 8.381 8.142 ( 0.546 1.333 -0.985) 1.745 8.320 ( 1.144 4.380 1.133) 4.667 8.394 ( -0.840 0.148 -1.284) 1.541 8.545 ( -0.755 -1.032 0.029) 1.279 8.708 ( 0.397 -3.501 -0.915) 3.641 11.959 ( -0.920 4.583 0.779) 4.739 12.292 ( -0.124 5.374 -0.658) 5.416 12.534 ( -1.317 -8.056 0.609) 8.186 12.683 ( -1.500 -3.658 -0.424) 3.976 12.882 ( -0.791 -0.229 0.753) 1.115 13.008 ( 0.569 -3.483 -0.669) 3.592 13.152 ( 0.954 1.115 -1.969) 2.456 13.277 ( 2.486 -0.235 -2.457) 3.503 13.627 ( -3.039 4.827 4.491) 7.260 14.086 ( 0.211 -2.346 -0.927) 2.531 ======================= Grid point 135 (67/192) ======================= q-point: ( 0.00 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 0.792 13.386 2.911) 13.722 1.655 ( -2.211 5.834 0.621) 6.270 1.706 ( 4.753 -2.413 -1.406) 5.512 1.806 ( -3.886 -0.996 -1.638) 4.333 1.982 ( 0.547 1.851 5.999) 6.302 2.144 ( 1.280 -3.297 1.234) 3.746 2.273 ( -0.358 1.215 -2.997) 3.254 2.308 ( -2.112 -2.618 -0.524) 3.405 2.462 ( -0.577 1.001 2.434) 2.695 2.529 ( -0.277 -0.361 1.554) 1.620 3.611 ( 4.909 5.488 -6.444) 9.785 3.730 ( 3.678 0.553 -6.691) 7.655 3.999 ( 0.861 8.834 -5.439) 10.410 4.232 ( 3.173 -0.732 -7.742) 8.399 4.765 ( -7.552 9.958 16.453) 20.661 4.975 ( -2.194 -0.888 14.087) 14.285 5.938 ( -2.000 -0.948 -3.458) 4.106 5.963 ( 2.137 0.260 -2.617) 3.388 7.035 ( -0.494 -0.028 3.028) 3.068 7.200 ( -1.222 -6.097 3.990) 7.388 8.000 ( 3.248 4.500 -6.191) 8.314 8.136 ( 2.342 -2.184 -2.650) 4.157 8.367 ( -2.420 2.097 -0.809) 3.302 8.438 ( 0.365 1.218 1.852) 2.247 8.502 ( -0.655 0.371 -1.484) 1.664 8.633 ( 0.128 -3.554 0.008) 3.556 12.065 ( -0.241 5.739 1.649) 5.976 12.350 ( -1.517 -6.956 0.534) 7.140 12.387 ( 1.441 3.734 -1.203) 4.179 12.585 ( 0.829 -4.466 -1.223) 4.704 12.875 ( -0.483 0.251 0.444) 0.702 12.934 ( 0.161 -3.161 -0.270) 3.176 13.212 ( 1.709 2.655 -0.024) 3.158 13.296 ( 1.965 -1.014 -0.242) 2.224 13.717 ( -2.604 6.690 1.186) 7.276 13.986 ( -1.034 -5.666 -1.600) 5.978 ======================= Grid point 136 (68/192) ======================= q-point: ( 0.11 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -0.335 8.827 3.923) 9.665 1.586 ( -3.589 3.121 0.472) 4.780 1.725 ( -2.991 1.185 -1.085) 3.396 1.792 ( 3.934 -2.655 -1.094) 4.870 2.056 ( 1.496 1.632 5.574) 5.998 2.154 ( -2.278 -3.023 -0.569) 3.828 2.217 ( -0.766 1.521 -1.877) 2.534 2.302 ( 2.067 -0.447 -1.972) 2.891 2.455 ( -2.210 -0.139 2.068) 3.030 2.523 ( -1.937 -1.469 1.710) 2.973 3.632 ( 1.635 4.939 -3.921) 6.515 3.733 ( 2.525 1.939 -6.817) 7.524 3.983 ( 2.724 7.946 -6.732) 10.765 4.235 ( 4.039 -1.598 -8.129) 9.217 4.749 ( -8.871 11.575 16.901) 22.323 5.060 ( -1.790 -3.486 15.262) 15.757 5.833 ( -5.026 2.027 -5.418) 7.663 5.988 ( 2.672 -2.601 -1.997) 4.230 7.072 ( 1.404 1.043 3.614) 4.015 7.242 ( 2.095 -5.669 4.255) 7.392 7.989 ( 0.714 6.282 -6.613) 9.149 8.166 ( 2.917 -1.883 -3.115) 4.665 8.331 ( -0.701 1.285 0.110) 1.468 8.420 ( -2.210 -2.637 0.568) 3.487 8.512 ( 2.378 3.426 -0.837) 4.254 8.645 ( 1.056 -2.513 0.290) 2.741 12.080 ( 0.291 5.086 1.767) 5.392 12.335 ( -0.143 -4.343 0.201) 4.350 12.418 ( 2.632 2.153 -1.290) 3.637 12.612 ( 3.032 -4.314 -1.026) 5.372 12.871 ( -0.278 0.404 0.382) 0.622 12.937 ( 0.427 -3.010 -0.230) 3.049 13.248 ( 1.714 2.973 0.868) 3.540 13.331 ( 1.941 -0.799 -0.113) 2.102 13.673 ( -2.986 6.542 0.874) 7.244 13.950 ( -1.009 -6.097 -2.353) 6.613 ======================= Grid point 137 (69/192) ======================= q-point: ( 0.22 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -1.323 3.465 3.524) 5.116 1.530 ( -2.808 0.646 -1.136) 3.097 1.709 ( 1.284 3.433 1.394) 3.921 1.833 ( 2.042 -2.690 -1.715) 3.788 2.074 ( -2.657 -1.800 -2.147) 3.861 2.088 ( -2.314 -1.772 1.816) 3.434 2.236 ( 2.599 2.704 0.658) 3.808 2.333 ( 2.195 2.195 -2.263) 3.842 2.416 ( -3.210 -2.281 1.062) 4.078 2.488 ( -3.110 -2.888 1.795) 4.608 3.610 ( -1.523 4.898 -0.895) 5.207 3.714 ( 1.343 2.670 -6.776) 7.406 3.977 ( 2.914 5.996 -8.628) 10.904 4.248 ( 5.253 -3.468 -9.672) 11.540 4.713 ( -9.670 12.640 16.933) 23.238 5.130 ( -4.207 -7.023 14.828) 16.937 5.706 ( -3.659 6.839 -4.623) 9.029 6.025 ( 2.847 -5.703 -1.652) 6.585 7.131 ( 1.573 3.082 3.673) 5.046 7.332 ( 3.583 -5.489 4.373) 7.879 7.923 ( -1.697 7.699 -6.519) 10.230 8.165 ( 0.375 -2.707 -5.168) 5.846 8.346 ( 1.729 1.143 0.582) 2.153 8.415 ( 0.896 -2.500 1.584) 3.092 8.558 ( 3.157 4.059 -0.667) 5.186 8.674 ( 1.608 -1.188 0.887) 2.187 12.100 ( 0.396 5.198 1.651) 5.468 12.348 ( 1.054 -4.559 0.759) 4.740 12.454 ( 2.687 3.779 -2.235) 5.148 12.668 ( 3.696 -4.603 -1.070) 6.000 12.874 ( 0.208 0.478 0.608) 0.801 12.943 ( 0.391 -2.772 -0.232) 2.809 13.283 ( 1.330 3.295 0.693) 3.620 13.353 ( 1.196 0.140 -2.186) 2.496 13.632 ( -2.767 6.230 2.530) 7.271 13.922 ( -0.109 -6.656 -1.618) 6.851 ======================= Grid point 138 (70/192) ======================= q-point: ( 0.33 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -0.859 -0.596 -0.309) 1.090 1.477 ( -1.366 -0.883 -0.877) 1.847 1.764 ( 2.513 2.979 1.655) 4.234 1.846 ( 1.243 -1.595 -1.907) 2.780 2.017 ( -1.211 -1.059 -2.102) 2.647 2.065 ( -1.289 -2.919 1.635) 3.586 2.290 ( 2.244 1.844 0.392) 2.931 2.314 ( -2.076 3.217 -1.298) 4.042 2.360 ( -3.213 -2.719 -1.378) 4.429 2.468 ( -0.263 -4.211 1.761) 4.572 3.575 ( -2.220 4.854 0.882) 5.410 3.682 ( 0.625 1.490 -4.875) 5.136 3.949 ( 2.599 5.840 -10.359) 12.173 4.268 ( 6.112 -5.559 -11.538) 14.191 4.678 ( -9.016 12.830 17.391) 23.417 5.137 ( -6.933 -9.496 12.945) 17.488 5.645 ( -0.491 10.514 -1.642) 10.653 6.056 ( 2.021 -7.350 -2.156) 7.922 7.178 ( 0.528 4.922 3.131) 5.857 7.424 ( 2.423 -6.035 4.173) 7.727 7.849 ( -0.840 8.378 -5.146) 9.869 8.120 ( -0.174 -3.497 -4.743) 5.895 8.381 ( 1.910 1.664 -1.245) 2.822 8.452 ( 1.581 -1.986 0.429) 2.575 8.611 ( 2.849 4.460 0.131) 5.294 8.711 ( 1.272 0.111 1.147) 1.716 12.120 ( 0.242 5.854 1.631) 6.082 12.379 ( 1.229 -5.751 1.423) 6.051 12.477 ( 2.177 6.169 -2.963) 7.181 12.720 ( 2.845 -4.920 -1.159) 5.800 12.887 ( 0.470 0.209 0.871) 1.012 12.947 ( 0.199 -2.537 -0.363) 2.570 13.300 ( 0.503 3.100 -0.812) 3.243 13.338 ( 0.409 1.427 -4.904) 5.124 13.621 ( -1.796 6.085 5.316) 8.277 13.924 ( 0.791 -6.962 0.164) 7.009 ======================= Grid point 139 (71/192) ======================= q-point: ( 0.44 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -0.256 -1.914 -4.353) 4.762 1.460 ( -0.677 -3.762 -0.937) 3.936 1.799 ( 0.269 3.000 -0.354) 3.033 1.858 ( 1.263 -1.344 -0.763) 1.996 2.003 ( 0.339 -0.572 0.554) 0.865 2.070 ( 0.355 -1.848 0.961) 2.113 2.259 ( -1.879 0.042 -0.714) 2.010 2.298 ( -1.215 -0.253 -2.096) 2.436 2.334 ( 1.541 0.669 0.560) 1.770 2.484 ( 0.417 -4.208 0.804) 4.304 3.543 ( -1.815 5.616 0.131) 5.904 3.671 ( 0.702 -1.429 -0.782) 1.774 3.922 ( 4.476 7.187 -11.582) 14.347 4.286 ( 6.375 -7.032 -12.555) 15.739 4.670 ( -7.447 12.417 18.295) 23.331 5.103 ( -7.313 -9.126 12.046) 16.789 5.645 ( 0.740 10.960 0.283) 10.989 6.059 ( 0.693 -7.452 -3.584) 8.298 7.196 ( -0.949 5.766 2.366) 6.305 7.472 ( -0.742 -6.670 3.521) 7.579 7.825 ( 2.029 8.786 -3.148) 9.550 8.100 ( 1.600 -3.374 -3.312) 4.991 8.384 ( 0.272 2.203 -3.356) 4.024 8.462 ( 0.007 -1.871 -1.877) 2.650 8.657 ( 1.586 3.829 1.037) 4.272 8.729 ( -0.247 1.025 0.710) 1.271 12.132 ( -0.377 6.241 1.583) 6.450 12.401 ( -0.194 -6.865 0.945) 6.932 12.494 ( 2.208 7.997 -2.063) 8.549 12.750 ( 1.379 -4.760 -1.085) 5.073 12.899 ( -0.036 -0.302 0.923) 0.972 12.945 ( 0.062 -2.319 -0.628) 2.403 13.289 ( -0.098 2.504 -2.717) 3.696 13.302 ( 0.583 1.962 -5.701) 6.058 13.647 ( -0.948 6.209 7.180) 9.540 13.945 ( 0.679 -6.665 1.499) 6.865 ======================= Grid point 140 (72/192) ======================= q-point: (-0.44 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -0.975 -1.644 -4.299) 4.705 1.444 ( 1.324 -4.139 -2.488) 5.008 1.777 ( -1.952 2.760 -0.655) 3.444 1.860 ( 0.029 -2.638 -1.680) 3.128 2.032 ( 1.217 0.465 2.563) 2.875 2.087 ( 0.826 -0.177 0.737) 1.121 2.247 ( 0.995 -0.221 -1.502) 1.815 2.289 ( 1.433 0.911 -0.523) 1.777 2.360 ( 1.122 -1.237 0.112) 1.674 2.490 ( -0.387 -3.982 0.840) 4.088 3.517 ( -0.271 6.664 -1.484) 6.833 3.685 ( 0.681 -3.078 0.231) 3.160 3.937 ( 6.958 7.414 -10.741) 14.790 4.298 ( 5.801 -7.142 -12.384) 15.428 4.696 ( -6.153 11.585 18.915) 23.018 5.064 ( -7.500 -6.649 11.431) 15.202 5.675 ( 2.067 8.970 1.326) 9.300 6.028 ( -0.086 -6.339 -5.125) 8.152 7.183 ( -2.314 5.356 1.939) 6.148 7.453 ( -3.954 -6.430 2.771) 8.041 7.871 ( 4.694 8.555 -1.414) 9.860 8.122 ( 3.153 -2.126 -2.636) 4.628 8.345 ( -0.955 1.964 -3.660) 4.262 8.425 ( -1.517 -2.234 -3.597) 4.498 8.680 ( -0.074 2.145 1.149) 2.435 8.711 ( -2.099 1.515 0.275) 2.604 12.130 ( -1.185 6.138 1.402) 6.407 12.389 ( -1.201 -5.368 -0.085) 5.501 12.518 ( 1.128 6.310 -0.416) 6.423 12.751 ( -0.364 -4.264 -1.088) 4.416 12.898 ( -0.785 -0.447 0.853) 1.243 12.940 ( 0.124 -2.202 -0.762) 2.333 13.258 ( -0.362 2.108 -3.758) 4.324 13.274 ( 1.227 1.454 -5.349) 5.677 13.692 ( -0.844 6.178 7.543) 9.786 13.968 ( 0.258 -5.981 2.082) 6.339 ======================= Grid point 141 (73/192) ======================= q-point: (-0.33 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -0.504 2.988 -3.696) 4.779 1.475 ( 3.389 -3.099 -1.892) 4.966 1.730 ( -2.183 3.704 -0.037) 4.300 1.850 ( 0.289 -3.449 -1.220) 3.670 2.067 ( -0.141 0.928 2.145) 2.342 2.110 ( 1.110 -0.250 0.330) 1.185 2.246 ( 0.351 0.382 -1.411) 1.503 2.338 ( 3.062 -0.005 0.947) 3.205 2.374 ( 0.596 -2.158 -0.704) 2.346 2.489 ( -0.540 -2.726 1.300) 3.068 3.513 ( 2.060 7.231 -3.451) 8.273 3.694 ( 1.479 -2.369 -2.591) 3.810 3.990 ( 6.719 6.260 -8.469) 12.493 4.295 ( 4.168 -5.696 -11.244) 13.276 4.737 ( -5.981 10.376 18.399) 21.954 5.007 ( -8.171 -2.876 10.233) 13.407 5.749 ( 4.475 5.029 2.469) 7.170 5.984 ( 0.255 -4.063 -5.592) 6.917 7.146 ( -3.391 3.877 1.925) 5.498 7.383 ( -5.857 -5.868 2.701) 8.720 7.950 ( 5.051 7.905 -2.717) 9.767 8.151 ( 2.387 0.067 -3.805) 4.492 8.320 ( 0.340 0.662 -0.338) 0.818 8.367 ( -0.866 -2.997 -3.141) 4.427 8.660 ( -3.500 1.553 0.428) 3.853 8.676 ( -1.135 0.140 0.442) 1.226 12.113 ( -1.750 5.910 1.153) 6.270 12.366 ( -1.126 -4.580 -0.016) 4.716 12.517 ( -1.184 4.438 -0.125) 4.595 12.718 ( -2.153 -3.807 -1.417) 4.598 12.889 ( -0.883 -0.237 0.866) 1.260 12.939 ( 0.224 -2.421 -0.487) 2.479 13.220 ( -0.181 1.933 -4.083) 4.521 13.260 ( 1.412 0.435 -4.309) 4.555 13.730 ( -1.217 6.211 6.550) 9.108 13.989 ( 0.204 -5.364 2.084) 5.759 ======================= Grid point 142 (74/192) ======================= q-point: (-0.22 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 2.787 9.553 -1.856) 10.123 1.512 ( 2.101 1.363 -1.167) 2.763 1.722 ( 0.903 2.543 0.695) 2.787 1.849 ( 0.094 -3.964 0.009) 3.965 2.044 ( -3.723 1.659 0.980) 4.192 2.125 ( 0.452 -1.458 -0.437) 1.588 2.252 ( 1.002 0.598 -0.027) 1.167 2.367 ( 0.091 -5.609 -0.871) 5.677 2.401 ( 1.693 2.271 2.324) 3.664 2.496 ( 0.360 -0.946 0.938) 1.380 3.534 ( 4.179 7.025 -5.751) 9.994 3.701 ( 2.725 -1.242 -5.205) 6.005 4.029 ( 4.073 6.330 -6.890) 10.204 4.272 ( 2.624 -3.407 -9.682) 10.594 4.763 ( -6.592 9.184 16.770) 20.224 4.946 ( -7.170 -0.090 10.500) 12.715 5.861 ( 5.245 1.041 2.154) 5.764 5.956 ( 1.180 -1.111 -4.693) 4.965 7.094 ( -3.916 1.942 2.027) 4.818 7.295 ( -6.112 -5.720 3.100) 8.927 7.987 ( 3.333 6.002 -6.699) 9.593 8.151 ( 0.871 -0.928 -3.818) 4.024 8.330 ( 1.469 1.308 1.169) 2.288 8.383 ( 2.075 -1.143 0.885) 2.529 8.595 ( -3.589 1.283 -0.067) 3.812 8.655 ( -1.354 -2.111 0.267) 2.522 12.088 ( -1.846 5.989 0.999) 6.346 12.352 ( -0.589 -4.624 0.459) 4.684 12.475 ( -2.901 2.881 -0.625) 4.136 12.658 ( -2.786 -3.885 -1.671) 5.064 12.882 ( -0.600 -0.037 0.909) 1.089 12.939 ( 0.030 -2.872 -0.237) 2.882 13.193 ( 0.520 2.137 -3.298) 3.964 13.258 ( 1.480 -0.450 -2.931) 3.314 13.749 ( -1.646 6.450 4.701) 8.149 14.006 ( 0.056 -5.173 1.325) 5.340 ======================= Grid point 143 (75/192) ======================= q-point: (-0.11 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 2.119 13.979 0.831) 14.163 1.567 ( 5.336 3.883 -0.081) 6.600 1.732 ( -0.914 1.406 -0.873) 1.891 1.854 ( -0.109 -3.696 0.053) 3.698 1.975 ( -4.434 2.140 3.465) 6.021 2.124 ( 0.273 -3.161 -0.291) 3.186 2.271 ( 1.359 1.256 -1.088) 2.147 2.353 ( -1.684 -4.389 0.192) 4.705 2.441 ( 0.661 1.706 2.354) 2.981 2.514 ( 0.640 -0.102 1.026) 1.213 3.570 ( 5.331 6.303 -7.123) 10.904 3.713 ( 3.726 -0.333 -6.420) 7.430 4.027 ( 1.324 7.738 -5.713) 9.709 4.245 ( 2.449 -1.437 -8.385) 8.852 4.767 ( -6.965 8.907 15.793) 19.423 4.929 ( -4.524 0.440 12.395) 13.202 5.946 ( 2.669 -0.968 -0.443) 2.873 5.951 ( 1.796 0.564 -3.276) 3.778 7.046 ( -2.969 0.403 2.339) 3.801 7.223 ( -4.436 -6.034 3.594) 8.307 7.989 ( 3.328 4.371 -6.886) 8.808 8.132 ( 0.851 -2.297 -3.619) 4.370 8.390 ( 2.357 2.680 2.592) 4.411 8.405 ( -0.541 1.159 0.017) 1.279 8.538 ( -2.262 0.308 -0.636) 2.370 8.637 ( -0.657 -3.677 0.150) 3.738 12.067 ( -1.245 6.151 1.212) 6.392 12.353 ( 0.022 -5.889 0.918) 5.960 12.414 ( -2.625 2.836 -1.294) 4.076 12.603 ( -1.548 -4.381 -1.518) 4.889 12.879 ( -0.491 0.120 0.715) 0.876 12.936 ( -0.105 -3.157 -0.247) 3.168 13.190 ( 1.324 2.439 -1.618) 3.213 13.269 ( 1.700 -0.885 -1.469) 2.415 13.744 ( -2.087 6.658 2.701) 7.482 14.007 ( -0.485 -5.347 -0.102) 5.370 ======================= Grid point 144 (76/192) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 0.583 -8.250 -0.371) 8.279 1.597 ( 0.583 8.250 -0.371) 8.279 1.753 ( -1.186 -3.861 -0.637) 4.089 1.753 ( -1.186 3.861 -0.637) 4.089 2.053 ( 0.749 -4.821 4.339) 6.529 2.053 ( 0.749 4.821 4.339) 6.529 2.282 ( -0.805 -0.502 -1.770) 2.008 2.282 ( -0.805 0.502 -1.770) 2.008 2.499 ( -1.097 -2.189 2.513) 3.509 2.499 ( -1.097 2.189 2.513) 3.509 3.700 ( 4.041 -3.188 -6.063) 7.953 3.700 ( 4.041 3.188 -6.063) 7.953 4.160 ( 3.619 -6.289 -9.681) 12.098 4.160 ( 3.619 6.289 -9.681) 12.098 4.921 ( -5.556 -5.093 16.481) 18.122 4.921 ( -5.556 5.093 16.481) 18.122 5.945 ( -0.288 -1.351 -2.537) 2.889 5.945 ( -0.288 1.351 -2.537) 2.889 7.088 ( -0.706 -4.769 3.565) 5.996 7.088 ( -0.706 4.769 3.565) 5.996 8.077 ( 3.575 -3.411 -5.075) 7.083 8.077 ( 3.575 3.411 -5.075) 7.083 8.414 ( -2.384 -2.441 -0.161) 3.416 8.414 ( -2.384 2.441 -0.161) 3.416 8.557 ( 0.570 -3.896 0.542) 3.974 8.557 ( 0.570 3.896 0.542) 3.974 12.195 ( -0.700 -7.279 1.293) 7.426 12.195 ( -0.700 7.279 1.293) 7.426 12.488 ( 1.093 -5.156 -1.691) 5.535 12.488 ( 1.093 5.156 -1.691) 5.535 12.889 ( -0.198 -1.326 0.299) 1.373 12.889 ( -0.198 1.326 0.299) 1.373 13.263 ( 1.755 -2.230 0.195) 2.844 13.263 ( 1.755 2.230 0.195) 2.844 13.856 ( -1.813 -7.052 -0.503) 7.299 13.856 ( -1.813 7.052 -0.503) 7.299 ======================= Grid point 146 (77/192) ======================= q-point: ( 0.11 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -3.419 -5.398 0.019) 6.389 1.565 ( -3.419 5.398 0.019) 6.389 1.747 ( 1.027 -1.486 -0.374) 1.845 1.747 ( 1.027 1.486 -0.374) 1.845 2.095 ( -0.994 -2.509 2.972) 4.015 2.095 ( -0.994 2.509 2.972) 4.015 2.260 ( 0.975 -2.781 -1.284) 3.215 2.260 ( 0.975 2.781 -1.284) 3.215 2.483 ( -2.705 -2.188 2.033) 4.029 2.483 ( -2.705 2.188 2.033) 4.029 3.714 ( 1.874 -3.015 -4.317) 5.589 3.714 ( 1.874 3.015 -4.317) 5.589 4.147 ( 3.977 -6.964 -10.835) 13.480 4.147 ( 3.977 6.964 -10.835) 13.480 4.950 ( -6.296 -7.881 16.996) 19.763 4.950 ( -6.296 7.881 16.996) 19.763 5.905 ( -1.164 -4.781 -3.137) 5.835 5.905 ( -1.164 4.781 -3.137) 5.835 7.136 ( 2.329 -4.759 4.038) 6.661 7.136 ( 2.329 4.759 4.038) 6.661 8.099 ( 2.862 -4.548 -5.861) 7.951 8.099 ( 2.862 4.548 -5.861) 7.951 8.366 ( -2.058 -2.420 0.502) 3.216 8.366 ( -2.058 2.420 0.502) 3.216 8.585 ( 1.901 -3.492 0.598) 4.021 8.585 ( 1.901 3.492 0.598) 4.021 12.200 ( 0.128 -6.802 1.241) 6.915 12.200 ( 0.128 6.802 1.241) 6.915 12.516 ( 3.195 -5.294 -1.706) 6.415 12.516 ( 3.195 5.294 -1.706) 6.415 12.890 ( 0.087 -1.639 0.283) 1.666 12.890 ( 0.087 1.639 0.283) 1.666 13.301 ( 1.825 -2.219 0.942) 3.023 13.301 ( 1.825 2.219 0.942) 3.023 13.813 ( -1.983 -7.279 -1.254) 7.648 13.813 ( -1.983 7.279 -1.254) 7.648 ======================= Grid point 148 (78/192) ======================= q-point: ( 0.22 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -3.484 -3.382 0.056) 4.856 1.499 ( -3.484 3.382 0.056) 4.856 1.775 ( 1.965 -3.072 0.142) 3.650 1.775 ( 1.965 3.072 0.142) 3.650 2.058 ( -3.087 -0.490 -0.148) 3.129 2.058 ( -3.087 0.490 -0.148) 3.129 2.300 ( 2.753 -3.471 0.317) 4.442 2.300 ( 2.753 3.471 0.317) 4.442 2.434 ( -4.046 -2.506 1.297) 4.933 2.434 ( -4.046 2.506 1.297) 4.933 3.696 ( -0.865 -3.321 -2.314) 4.139 3.696 ( -0.865 3.321 -2.314) 4.139 4.132 ( 4.765 -7.775 -12.813) 15.726 4.132 ( 4.765 7.775 -12.813) 15.726 4.952 ( -8.011 -10.718 16.247) 21.048 4.952 ( -8.011 10.718 16.247) 21.048 5.870 ( -0.060 -8.930 -2.219) 9.201 5.870 ( -0.060 8.930 -2.219) 9.201 7.221 ( 3.079 -5.426 4.043) 7.434 7.221 ( 3.079 5.426 4.043) 7.434 8.068 ( -0.314 -6.502 -6.852) 9.452 8.068 ( -0.314 6.502 -6.852) 9.452 8.372 ( 1.524 -1.673 1.432) 2.678 8.372 ( 1.524 1.673 1.432) 2.678 8.633 ( 2.647 -3.066 0.772) 4.124 8.633 ( 2.647 3.066 0.772) 4.124 12.219 ( 0.808 -6.601 1.359) 6.788 12.219 ( 0.808 6.601 1.359) 6.788 12.565 ( 3.629 -5.697 -2.078) 7.067 12.565 ( 3.629 5.697 -2.078) 7.067 12.897 ( 0.312 -1.808 0.319) 1.863 12.897 ( 0.312 1.808 0.319) 1.863 13.336 ( 1.299 -1.857 0.050) 2.266 13.336 ( 1.299 1.857 0.050) 2.266 13.774 ( -1.356 -7.724 -0.239) 7.846 13.774 ( -1.356 7.724 -0.239) 7.846 ======================= Grid point 150 (79/192) ======================= q-point: ( 0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -2.405 -2.102 -1.138) 3.391 1.442 ( -2.405 2.102 -1.138) 3.391 1.815 ( 2.073 -1.906 0.080) 2.817 1.815 ( 2.073 1.906 0.080) 2.817 2.013 ( -1.294 -1.315 -0.007) 1.845 2.013 ( -1.294 1.315 -0.007) 1.845 2.321 ( -1.863 -1.337 -0.213) 2.303 2.321 ( -1.863 1.337 -0.213) 2.303 2.386 ( -0.618 -3.810 0.719) 3.926 2.386 ( -0.618 3.810 0.719) 3.926 3.656 ( -1.986 -3.210 -0.526) 3.811 3.656 ( -1.986 3.210 -0.526) 3.811 4.117 ( 5.541 -9.102 -14.388) 17.904 4.117 ( 5.541 9.102 -14.388) 17.904 4.926 ( -8.418 -11.620 15.501) 21.123 4.926 ( -8.418 11.620 15.501) 21.123 5.865 ( 0.708 -11.034 -1.073) 11.109 5.865 ( 0.708 11.034 -1.073) 11.109 7.297 ( 1.702 -6.500 3.485) 7.569 7.297 ( 1.702 6.500 3.485) 7.569 8.009 ( -0.155 -7.247 -5.536) 9.121 8.009 ( -0.155 7.247 -5.536) 9.121 8.414 ( 1.888 -1.771 -0.180) 2.595 8.414 ( 1.888 1.771 -0.180) 2.595 8.686 ( 2.264 -2.653 0.922) 3.608 8.686 ( 2.264 2.653 0.922) 3.608 12.246 ( 0.746 -6.737 1.441) 6.929 12.246 ( 0.746 6.737 1.441) 6.929 12.609 ( 3.017 -6.231 -2.147) 7.248 12.609 ( 3.017 6.231 -2.147) 7.248 12.905 ( 0.254 -1.562 0.265) 1.605 12.905 ( 0.254 1.562 0.265) 1.605 13.342 ( 0.365 -1.013 -2.316) 2.554 13.342 ( 0.365 1.013 -2.316) 2.554 13.768 ( -0.289 -8.162 2.306) 8.487 13.768 ( -0.289 8.162 2.306) 8.487 ======================= Grid point 152 (80/192) ======================= q-point: ( 0.44 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -1.075 -2.431 -3.079) 4.068 1.393 ( -1.075 2.431 -3.079) 4.068 1.837 ( 0.440 -1.054 -0.970) 1.498 1.837 ( 0.440 1.054 -0.970) 1.498 2.018 ( 0.955 -2.240 1.632) 2.931 2.018 ( 0.955 2.240 1.632) 2.931 2.272 ( -1.975 -1.358 0.182) 2.404 2.272 ( -1.975 1.358 0.182) 2.404 2.398 ( 0.728 -4.203 -0.111) 4.267 2.398 ( 0.728 4.203 -0.111) 4.267 3.626 ( -1.285 -3.051 0.575) 3.360 3.626 ( -1.285 3.051 0.575) 3.360 4.109 ( 6.562 -10.100 -14.956) 19.203 4.109 ( 6.562 10.100 -14.956) 19.203 4.905 ( -7.369 -10.865 15.777) 20.525 4.905 ( -7.369 10.865 15.777) 20.525 5.868 ( 0.379 -10.964 -1.061) 11.022 5.868 ( 0.379 10.964 -1.061) 11.022 7.331 ( -0.720 -7.256 2.636) 7.753 7.331 ( -0.720 7.256 2.636) 7.753 7.989 ( 2.141 -7.318 -3.539) 8.406 7.989 ( 2.141 7.318 -3.539) 8.406 8.424 ( 0.124 -1.942 -2.292) 3.007 8.424 ( 0.124 1.942 -2.292) 3.007 8.720 ( 0.554 -1.986 0.681) 2.172 8.720 ( 0.554 1.986 0.681) 2.172 12.263 ( -0.158 -6.863 1.250) 6.978 12.263 ( -0.158 6.863 1.250) 6.978 12.639 ( 1.938 -6.403 -1.673) 6.896 12.639 ( 1.938 6.403 -1.673) 6.896 12.908 ( -0.040 -1.219 0.107) 1.224 12.908 ( -0.040 1.219 0.107) 1.224 13.318 ( 0.080 -0.410 -4.111) 4.132 13.318 ( 0.080 0.410 -4.111) 4.132 13.794 ( 0.031 -8.027 4.316) 9.114 13.794 ( 0.031 8.027 4.316) 9.114 ======================= Grid point 154 (81/192) ======================= q-point: (-0.44 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 1.212 -3.169 -3.883) 5.156 1.364 ( 1.212 3.169 -3.883) 5.156 1.818 ( -1.211 -1.697 -1.057) 2.337 1.818 ( -1.211 1.697 -1.057) 2.337 2.058 ( 1.251 -1.936 2.257) 3.226 2.058 ( 1.251 1.936 2.257) 3.226 2.266 ( 1.093 -1.779 -0.576) 2.166 2.266 ( 1.093 1.779 -0.576) 2.166 2.406 ( 0.059 -4.128 0.728) 4.192 2.406 ( 0.059 4.128 0.728) 4.192 3.619 ( 0.253 -3.822 -0.042) 3.830 3.619 ( 0.253 3.822 -0.042) 3.830 4.119 ( 7.385 -9.954 -14.399) 18.999 4.119 ( 7.385 9.954 -14.399) 18.999 4.908 ( -6.595 -9.215 16.258) 19.817 4.908 ( -6.595 9.215 16.258) 19.817 5.863 ( 0.458 -9.472 -1.563) 9.611 5.863 ( 0.458 9.472 -1.563) 9.611 7.314 ( -3.126 -7.193 2.062) 8.110 7.314 ( -3.126 7.193 2.062) 8.110 8.028 ( 4.373 -6.826 -2.086) 8.371 8.028 ( 4.373 6.826 -2.086) 8.371 8.384 ( -1.666 -1.961 -3.617) 4.438 8.384 ( -1.666 1.961 -3.617) 4.438 8.715 ( -1.478 -1.021 0.423) 1.845 8.715 ( -1.478 1.021 0.423) 1.845 12.259 ( -1.188 -6.764 1.000) 6.940 12.259 ( -1.188 6.764 1.000) 6.940 12.649 ( 0.292 -5.960 -1.199) 6.087 12.649 ( 0.292 5.960 -1.199) 6.087 12.905 ( -0.297 -1.149 0.024) 1.187 12.905 ( -0.297 1.149 0.024) 1.187 13.285 ( 0.190 -0.466 -4.707) 4.734 13.285 ( 0.190 0.466 -4.707) 4.734 13.830 ( -0.192 -7.388 4.998) 8.922 13.830 ( -0.192 7.388 4.998) 8.922 ======================= Grid point 156 (82/192) ======================= q-point: (-0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 4.125 -5.424 -2.946) 7.424 1.384 ( 4.125 5.424 -2.946) 7.424 1.790 ( -1.180 -2.653 -0.154) 2.908 1.790 ( -1.180 2.653 -0.154) 2.908 2.089 ( 0.237 -1.349 1.877) 2.324 2.089 ( 0.237 1.349 1.877) 2.324 2.279 ( 1.063 -2.781 -2.112) 3.650 2.279 ( 1.063 2.781 -2.112) 3.650 2.422 ( 0.484 -3.628 2.471) 4.416 2.422 ( 0.484 3.628 2.471) 4.416 3.630 ( 1.990 -4.354 -2.484) 5.393 3.630 ( 1.990 4.354 -2.484) 5.393 4.143 ( 7.066 -8.518 -13.059) 17.118 4.143 ( 7.066 8.518 -13.059) 17.118 4.914 ( -7.024 -6.769 15.894) 18.649 4.914 ( -7.024 6.769 15.894) 18.649 5.870 ( 1.828 -6.620 -1.372) 7.003 5.870 ( 1.828 6.620 -1.372) 7.003 7.256 ( -4.893 -6.492 2.072) 8.390 7.256 ( -4.893 6.492 2.072) 8.390 8.091 ( 4.123 -5.711 -3.847) 8.025 8.091 ( 4.123 5.711 -3.847) 8.025 8.331 ( -0.766 -0.769 -1.350) 1.732 8.331 ( -0.766 0.769 -1.350) 1.732 8.677 ( -2.901 -0.257 0.200) 2.920 8.677 ( -2.901 0.257 0.200) 2.920 12.240 ( -1.676 -6.737 1.023) 7.017 12.240 ( -1.676 6.737 1.023) 7.017 12.627 ( -1.726 -5.309 -1.372) 5.749 12.627 ( -1.726 5.309 -1.372) 5.749 12.900 ( -0.383 -1.339 0.174) 1.403 12.900 ( -0.383 1.339 0.174) 1.403 13.254 ( 0.368 -1.128 -4.301) 4.462 13.254 ( 0.368 1.128 -4.301) 4.462 13.863 ( -0.411 -6.860 4.499) 8.214 13.863 ( -0.411 6.860 4.499) 8.214 ======================= Grid point 158 (83/192) ======================= q-point: (-0.22 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 5.828 -6.352 -1.544) 8.758 1.460 ( 5.828 6.352 -1.544) 8.758 1.776 ( -0.661 -3.068 0.838) 3.248 1.776 ( -0.661 3.068 0.838) 3.248 2.084 ( -2.074 -2.324 0.599) 3.172 2.084 ( -2.074 2.324 0.599) 3.172 2.281 ( 0.995 -2.683 -0.964) 3.020 2.281 ( 0.995 2.683 -0.964) 3.020 2.456 ( 0.778 -2.742 2.662) 3.900 2.456 ( 0.778 2.742 2.662) 3.900 3.649 ( 3.475 -4.149 -5.261) 7.548 3.649 ( 3.475 4.149 -5.261) 7.548 4.162 ( 5.704 -6.711 -11.442) 14.439 4.162 ( 5.704 6.711 -11.442) 14.439 4.905 ( -7.325 -4.417 15.206) 17.447 4.905 ( -7.325 4.417 15.206) 17.447 5.907 ( 2.872 -3.105 -0.850) 4.314 5.907 ( 2.872 3.105 -0.850) 4.314 7.177 ( -5.517 -5.673 2.421) 8.275 7.177 ( -5.517 5.673 2.421) 8.275 8.092 ( 1.478 -4.465 -7.125) 8.537 8.092 ( 1.478 4.465 -7.125) 8.537 8.360 ( 2.585 -1.517 2.700) 4.034 8.360 ( 2.585 1.517 2.700) 4.034 8.620 ( -3.263 -1.356 -0.119) 3.535 8.620 ( -3.263 1.356 -0.119) 3.535 12.219 ( -1.613 -7.034 1.243) 7.323 12.219 ( -1.613 7.034 1.243) 7.323 12.569 ( -2.846 -4.933 -1.924) 6.011 12.569 ( -2.846 4.933 -1.924) 6.011 12.895 ( -0.372 -1.398 0.391) 1.498 12.895 ( -0.372 1.398 0.391) 1.498 13.235 ( 0.850 -1.794 -3.008) 3.604 13.235 ( 0.850 1.794 -3.008) 3.604 13.884 ( -0.745 -6.768 3.054) 7.462 13.884 ( -0.745 6.768 3.054) 7.462 ======================= Grid point 160 (84/192) ======================= q-point: (-0.11 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 4.664 -6.195 -0.844) 7.800 1.551 ( 4.664 6.195 -0.844) 7.800 1.774 ( -0.681 -3.317 0.755) 3.469 1.774 ( -0.681 3.317 0.755) 3.469 2.043 ( -2.385 -4.325 1.647) 5.206 2.043 ( -2.385 4.325 1.647) 5.206 2.294 ( 0.608 -1.611 -0.685) 1.853 2.294 ( 0.608 1.611 -0.685) 1.853 2.487 ( 0.150 -2.283 2.609) 3.470 2.487 ( 0.150 2.283 2.609) 3.470 3.673 ( 4.355 -3.690 -6.632) 8.750 3.673 ( 4.355 3.690 -6.632) 8.750 4.167 ( 4.261 -5.866 -10.050) 12.392 4.167 ( 4.261 5.866 -10.050) 12.392 4.901 ( -6.388 -3.846 15.468) 17.172 4.901 ( -6.388 3.846 15.468) 17.172 5.945 ( 1.887 -0.881 -1.306) 2.458 5.945 ( 1.887 0.881 -1.306) 2.458 7.108 ( -4.084 -5.112 2.933) 7.170 7.108 ( -4.084 5.112 2.933) 7.170 8.068 ( 2.181 -3.679 -6.241) 7.566 8.068 ( 2.181 3.679 -6.241) 7.566 8.422 ( 1.180 -0.177 1.908) 2.250 8.422 ( 1.180 0.177 1.908) 2.250 8.567 ( -2.019 -2.845 -0.109) 3.490 8.567 ( -2.019 2.845 -0.109) 3.490 12.203 ( -1.261 -7.406 1.373) 7.637 12.203 ( -1.261 7.406 1.373) 7.637 12.509 ( -1.670 -5.000 -2.014) 5.644 12.509 ( -1.670 5.000 -2.014) 5.644 12.892 ( -0.352 -1.274 0.397) 1.380 12.892 ( -0.352 1.274 0.397) 1.380 13.238 ( 1.404 -2.132 -1.321) 2.874 13.238 ( 1.404 2.132 -1.321) 2.874 13.882 ( -1.278 -6.899 1.174) 7.114 13.882 ( -1.278 6.899 1.174) 7.114 ======================= Grid point 198 (85/192) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -15.019 0.000 18.634) 23.933 1.109 ( 16.456 0.000 23.231) 28.469 1.403 ( -4.499 0.000 11.275) 12.139 1.712 ( 1.214 0.000 0.189) 1.229 1.886 ( -0.307 0.000 2.559) 2.577 2.136 ( -2.324 0.000 10.145) 10.408 2.152 ( -4.102 0.000 -0.611) 4.147 2.280 ( 0.445 0.000 0.851) 0.960 2.436 ( -0.968 0.000 -1.399) 1.701 2.520 ( -0.964 0.000 -2.430) 2.614 3.317 ( 4.700 0.000 2.329) 5.245 3.541 ( -2.478 0.000 -1.015) 2.678 3.856 ( 1.061 0.000 3.711) 3.860 3.862 ( -4.529 0.000 9.168) 10.226 4.558 ( -0.802 0.000 -0.564) 0.981 5.225 ( 8.494 0.000 11.039) 13.929 5.506 ( 6.345 0.000 -16.355) 17.542 5.962 ( -10.059 0.000 -11.412) 15.213 7.410 ( 0.176 0.000 0.132) 0.220 7.510 ( -1.436 0.000 -2.186) 2.615 7.642 ( -0.408 0.000 2.867) 2.896 7.857 ( 0.768 0.000 -3.538) 3.620 8.244 ( 0.573 0.000 5.482) 5.512 8.419 ( 0.356 0.000 2.892) 2.913 8.543 ( -2.881 0.000 -2.343) 3.713 8.740 ( 1.274 0.000 -7.132) 7.244 11.931 ( 4.321 0.000 3.335) 5.458 12.063 ( -2.586 0.000 -0.791) 2.704 12.816 ( 0.286 0.000 0.297) 0.412 12.824 ( 0.468 0.000 0.379) 0.603 12.905 ( -0.982 0.000 1.608) 1.884 13.011 ( 2.068 0.000 -1.768) 2.721 13.096 ( -1.320 0.000 -0.643) 1.468 13.212 ( -0.387 0.000 -4.491) 4.507 13.723 ( -4.600 0.000 6.139) 7.671 14.001 ( 1.753 0.000 -2.384) 2.959 ======================= Grid point 199 (86/192) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -7.771 0.000 17.229) 18.900 1.251 ( -7.664 0.000 16.312) 18.023 1.739 ( 21.299 0.000 3.793) 21.634 1.744 ( 2.033 0.000 -0.878) 2.215 1.924 ( 1.148 0.000 6.457) 6.558 2.032 ( -6.223 0.000 -5.858) 8.547 2.179 ( -2.319 0.000 9.575) 9.851 2.301 ( 0.597 0.000 1.362) 1.487 2.403 ( -1.063 0.000 -1.198) 1.602 2.516 ( 2.651 0.000 -1.350) 2.975 3.419 ( 5.060 0.000 0.599) 5.095 3.512 ( -0.576 0.000 1.214) 1.344 3.880 ( -2.643 0.000 11.624) 11.921 3.915 ( 2.186 0.000 3.443) 4.078 4.556 ( 1.074 0.000 -0.221) 1.097 5.485 ( 8.597 0.000 13.562) 16.057 5.490 ( 5.824 0.000 -16.590) 17.583 5.650 ( -11.462 0.000 -14.121) 18.187 7.396 ( -1.694 0.000 -0.157) 1.701 7.447 ( -3.712 0.000 -0.929) 3.826 7.662 ( -0.407 0.000 3.930) 3.951 7.839 ( 0.823 0.000 -4.385) 4.462 8.310 ( 1.182 0.000 5.883) 6.001 8.455 ( 0.770 0.000 3.397) 3.484 8.468 ( -2.631 0.000 -2.791) 3.836 8.692 ( -0.296 0.000 -7.097) 7.103 11.979 ( -5.094 0.000 -1.973) 5.462 12.036 ( 3.977 0.000 3.219) 5.116 12.827 ( 0.361 0.000 0.326) 0.486 12.829 ( -0.242 0.000 -0.033) 0.244 12.908 ( -0.055 0.000 1.543) 1.544 13.029 ( 1.669 0.000 -2.324) 2.861 13.086 ( 0.189 0.000 0.946) 0.965 13.168 ( -0.344 0.000 -4.573) 4.586 13.686 ( -4.903 0.000 6.604) 8.225 14.016 ( 1.741 0.000 -2.055) 2.693 ======================= Grid point 200 (87/192) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 3.890 0.000 14.405) 14.921 1.271 ( -1.915 0.000 11.397) 11.557 1.727 ( -4.340 0.000 -4.195) 6.036 1.878 ( -1.760 0.000 -6.883) 7.105 1.923 ( 1.537 0.000 1.510) 2.154 2.113 ( 7.509 0.000 4.247) 8.627 2.202 ( 2.183 0.000 3.132) 3.818 2.307 ( -0.208 0.000 -1.036) 1.057 2.400 ( 0.614 0.000 1.561) 1.677 2.587 ( 4.528 0.000 0.186) 4.532 3.503 ( 3.072 0.000 1.572) 3.451 3.541 ( 1.358 0.000 3.924) 4.152 3.937 ( -2.938 0.000 14.125) 14.428 3.982 ( 1.705 0.000 3.896) 4.253 4.597 ( 4.776 0.000 -2.758) 5.515 5.323 ( -9.484 0.000 -9.415) 13.364 5.504 ( 8.165 0.000 -19.763) 21.383 5.715 ( 3.922 0.000 13.497) 14.055 7.348 ( -3.226 0.000 -0.144) 3.229 7.374 ( -3.982 0.000 0.722) 4.047 7.687 ( -0.758 0.000 4.547) 4.610 7.822 ( 1.393 0.000 -4.600) 4.806 8.366 ( 0.127 0.000 4.919) 4.921 8.419 ( -0.348 0.000 -2.046) 2.075 8.495 ( 0.454 0.000 3.265) 3.296 8.623 ( -1.111 0.000 -6.524) 6.618 11.863 ( -5.442 0.000 -2.014) 5.803 12.111 ( 2.033 0.000 1.225) 2.374 12.815 ( -0.824 0.000 -0.759) 1.121 12.827 ( -0.116 0.000 -0.646) 0.656 12.926 ( 0.548 0.000 1.257) 1.371 13.033 ( 0.857 0.000 -2.426) 2.573 13.116 ( 1.589 0.000 2.442) 2.913 13.135 ( 0.302 0.000 -3.255) 3.269 13.657 ( -4.321 0.000 7.390) 8.561 14.029 ( 1.418 0.000 -1.983) 2.437 ======================= Grid point 201 (88/192) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 11.148 0.000 13.396) 17.428 1.358 ( 3.319 0.000 6.510) 7.308 1.546 ( -7.711 0.000 -6.347) 9.987 1.876 ( 3.583 0.000 -2.728) 4.503 1.938 ( -1.963 0.000 3.503) 4.015 2.118 ( -3.655 0.000 1.523) 3.960 2.290 ( -0.072 0.000 -1.683) 1.684 2.368 ( 9.964 0.000 -0.990) 10.013 2.432 ( 0.717 0.000 2.287) 2.397 2.643 ( 2.310 0.000 -2.573) 3.458 3.548 ( -1.530 0.000 5.674) 5.877 3.610 ( 1.660 0.000 5.479) 5.725 3.980 ( -4.778 0.000 14.029) 14.821 4.024 ( -1.017 0.000 4.225) 4.346 4.677 ( 7.784 0.000 -6.937) 10.427 5.163 ( -1.398 0.000 -3.410) 3.685 5.508 ( 9.600 0.000 -20.423) 22.567 5.805 ( -5.005 0.000 9.968) 11.154 7.290 ( -2.957 0.000 0.251) 2.968 7.322 ( -2.809 0.000 2.020) 3.460 7.701 ( -1.718 0.000 4.455) 4.775 7.818 ( 1.992 0.000 -4.418) 4.846 8.391 ( -1.082 0.000 3.647) 3.805 8.425 ( 2.206 0.000 -0.943) 2.399 8.514 ( -0.927 0.000 2.271) 2.453 8.558 ( -0.500 0.000 -5.346) 5.369 11.771 ( -3.059 0.000 -0.621) 3.121 12.124 ( -0.483 0.000 -1.557) 1.630 12.794 ( -0.546 0.000 -1.007) 1.145 12.819 ( 0.094 0.000 -0.849) 0.855 12.937 ( 0.145 0.000 -0.316) 0.347 13.019 ( -0.350 0.000 -2.334) 2.360 13.133 ( 1.203 0.000 -0.616) 1.352 13.175 ( 2.193 0.000 3.002) 3.718 13.648 ( -3.419 0.000 7.926) 8.632 14.033 ( 0.865 0.000 -2.278) 2.437 ======================= Grid point 202 (89/192) ======================= q-point: (-0.56 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -8.578 0.000 6.691) 10.879 1.475 ( 5.078 0.000 2.412) 5.622 1.547 ( 14.127 0.000 4.899) 14.952 1.902 ( -5.930 0.000 4.702) 7.568 1.937 ( 4.153 0.000 -0.605) 4.197 2.057 ( -2.917 0.000 -1.177) 3.146 2.282 ( 0.573 0.000 -1.353) 1.469 2.452 ( -0.460 0.000 1.856) 1.912 2.510 ( 7.105 0.000 -2.447) 7.514 2.632 ( 0.007 0.000 -4.950) 4.950 3.525 ( -9.069 0.000 12.096) 15.119 3.674 ( 0.535 0.000 4.936) 4.965 3.994 ( -4.224 0.000 10.767) 11.566 4.005 ( -4.922 0.000 5.004) 7.019 4.749 ( 7.275 0.000 -10.268) 12.584 5.237 ( 9.294 0.000 3.295) 9.861 5.524 ( 9.811 0.000 -20.140) 22.403 5.685 ( -14.342 0.000 4.874) 15.147 7.256 ( -1.030 0.000 0.831) 1.324 7.306 ( -0.844 0.000 2.481) 2.621 7.693 ( -2.775 0.000 3.804) 4.709 7.823 ( 2.234 0.000 -3.978) 4.562 8.384 ( -2.391 0.000 2.359) 3.359 8.471 ( 2.488 0.000 0.072) 2.489 8.498 ( -2.188 0.000 1.186) 2.488 8.536 ( 2.747 0.000 -4.085) 4.923 11.754 ( 0.897 0.000 1.491) 1.740 12.072 ( -2.594 0.000 -3.977) 4.748 12.785 ( 0.334 0.000 -0.653) 0.733 12.820 ( 0.503 0.000 -0.695) 0.858 12.929 ( -0.022 0.000 -1.506) 1.506 12.986 ( -1.080 0.000 -2.317) 2.557 13.163 ( 1.530 0.000 1.524) 2.159 13.232 ( 1.425 0.000 2.465) 2.848 13.657 ( -2.569 0.000 8.150) 8.545 14.025 ( 0.439 0.000 -2.745) 2.780 ======================= Grid point 203 (90/192) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -7.716 0.000 9.131) 11.955 1.551 ( 1.442 0.000 -1.193) 1.871 1.793 ( -9.569 0.000 4.538) 10.590 1.807 ( 8.600 0.000 5.177) 10.038 2.000 ( 2.266 0.000 1.531) 2.735 2.003 ( -1.430 0.000 -2.319) 2.724 2.294 ( 1.703 0.000 -0.724) 1.851 2.443 ( -1.664 0.000 1.078) 1.983 2.542 ( -1.425 0.000 -7.710) 7.841 2.611 ( 2.929 0.000 -2.009) 3.552 3.412 ( -16.033 0.000 17.519) 23.749 3.704 ( -0.193 0.000 2.054) 2.063 3.940 ( -7.328 0.000 7.370) 10.393 4.003 ( -2.927 0.000 7.794) 8.326 4.766 ( 4.086 0.000 -11.864) 12.547 5.403 ( -18.012 0.000 1.657) 18.088 5.504 ( 14.151 0.000 -3.478) 14.572 5.553 ( 10.583 0.000 -8.246) 13.416 7.266 ( 1.148 0.000 1.232) 1.684 7.331 ( 1.523 0.000 2.036) 2.542 7.665 ( -3.030 0.000 3.038) 4.290 7.834 ( 2.190 0.000 -3.292) 3.954 8.343 ( -3.648 0.000 1.353) 3.891 8.462 ( -2.453 0.000 0.757) 2.567 8.507 ( 1.746 0.000 0.632) 1.857 8.594 ( 6.013 0.000 -3.319) 6.868 11.820 ( 4.018 0.000 2.984) 5.005 11.977 ( -3.539 0.000 -5.131) 6.233 12.793 ( 0.847 0.000 -0.194) 0.869 12.819 ( 0.176 0.000 -1.349) 1.360 12.923 ( 0.412 0.000 -0.660) 0.778 12.950 ( -0.651 0.000 -2.222) 2.315 13.205 ( 1.389 0.000 1.908) 2.360 13.258 ( -0.251 0.000 1.188) 1.214 13.682 ( -1.862 0.000 8.175) 8.385 14.009 ( 0.431 0.000 -3.069) 3.099 ======================= Grid point 204 (91/192) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -8.447 0.000 12.494) 15.081 1.419 ( -14.749 0.000 -4.361) 15.380 1.692 ( -4.393 0.000 2.745) 5.181 1.889 ( -2.549 0.000 1.349) 2.884 1.966 ( -0.422 0.000 -3.013) 3.042 2.071 ( 3.409 0.000 4.285) 5.476 2.325 ( 1.185 0.000 0.175) 1.198 2.397 ( -8.844 0.000 -3.757) 9.609 2.419 ( -0.710 0.000 -0.106) 0.718 2.637 ( 1.138 0.000 -2.179) 2.459 3.259 ( -14.944 0.000 17.817) 23.255 3.702 ( 0.030 0.000 -2.152) 2.152 3.868 ( -7.947 0.000 10.074) 12.831 4.002 ( -3.982 0.000 6.953) 8.013 4.713 ( 0.401 0.000 -10.519) 10.526 5.124 ( -12.604 0.000 1.347) 12.676 5.540 ( 8.118 0.000 -18.459) 20.165 5.871 ( 14.396 0.000 7.572) 16.265 7.309 ( 2.205 0.000 1.184) 2.503 7.391 ( 3.705 0.000 0.917) 3.817 7.639 ( -2.206 0.000 2.474) 3.315 7.849 ( 1.939 0.000 -2.537) 3.193 8.281 ( -4.020 0.000 1.365) 4.245 8.426 ( -2.068 0.000 0.801) 2.218 8.551 ( 2.155 0.000 1.129) 2.433 8.676 ( 5.937 0.000 -4.130) 7.232 11.878 ( -2.725 0.000 -4.405) 5.180 11.929 ( 4.822 0.000 3.177) 5.775 12.805 ( 0.391 0.000 -0.154) 0.420 12.808 ( 0.288 0.000 -1.812) 1.834 12.928 ( -0.097 0.000 0.798) 0.804 12.936 ( 0.925 0.000 -1.775) 2.001 13.240 ( 1.197 0.000 0.740) 1.407 13.242 ( -1.842 0.000 -0.176) 1.850 13.716 ( -1.579 0.000 7.894) 8.050 13.994 ( 0.785 0.000 -3.122) 3.219 ======================= Grid point 205 (92/192) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -24.170 0.000 -4.178) 24.528 1.166 ( -10.841 0.000 15.401) 18.834 1.621 ( -7.067 0.000 3.833) 8.040 1.804 ( -6.183 0.000 0.851) 6.241 1.934 ( -0.666 0.000 -3.221) 3.289 2.156 ( 1.688 0.000 4.138) 4.469 2.208 ( -11.413 0.000 6.557) 13.162 2.314 ( -1.851 0.000 -0.215) 1.864 2.432 ( 1.782 0.000 -0.613) 1.885 2.618 ( -1.479 0.000 -1.381) 2.023 3.188 ( -5.708 0.000 11.785) 13.094 3.668 ( -1.118 0.000 -3.921) 4.078 3.823 ( -5.439 0.000 9.503) 10.949 3.962 ( -6.446 0.000 6.947) 9.477 4.639 ( -0.827 0.000 -5.996) 6.052 4.992 ( -3.657 0.000 2.716) 4.555 5.534 ( 6.895 0.000 -17.049) 18.390 6.116 ( 7.279 0.000 2.316) 7.639 7.357 ( 2.025 0.000 0.827) 2.188 7.469 ( 4.335 0.000 -0.656) 4.384 7.627 ( -1.064 0.000 2.105) 2.359 7.861 ( 1.399 0.000 -2.148) 2.564 8.229 ( -3.124 0.000 2.446) 3.967 8.403 ( -1.313 0.000 1.200) 1.779 8.591 ( 1.181 0.000 0.639) 1.343 8.735 ( 4.685 0.000 -5.534) 7.251 11.824 ( -0.232 0.000 -1.855) 1.869 12.029 ( 3.429 0.000 2.287) 4.122 12.806 ( 0.882 0.000 -1.419) 1.671 12.806 ( 0.246 0.000 -0.365) 0.441 12.927 ( -1.148 0.000 1.618) 1.984 12.953 ( 2.084 0.000 -1.283) 2.447 13.195 ( -2.605 0.000 -1.090) 2.824 13.257 ( 0.846 0.000 -1.297) 1.549 13.744 ( -2.156 0.000 7.193) 7.509 13.988 ( 1.228 0.000 -2.984) 3.227 ======================= Grid point 206 (93/192) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -3.416 0.000 16.856) 17.199 1.068 ( -14.647 0.000 17.868) 23.104 1.500 ( -11.424 0.000 9.372) 14.776 1.720 ( -2.940 0.000 0.617) 3.004 1.895 ( -1.496 0.000 -0.480) 1.571 2.123 ( -5.520 0.000 9.805) 11.252 2.190 ( -1.365 0.000 3.343) 3.611 2.281 ( -0.830 0.000 -0.801) 1.154 2.450 ( 0.557 0.000 -0.864) 1.028 2.570 ( -2.284 0.000 -1.637) 2.811 3.225 ( 1.473 0.000 5.918) 6.099 3.605 ( -2.756 0.000 -2.444) 3.683 3.822 ( -1.513 0.000 5.791) 5.986 3.897 ( -6.584 0.000 7.768) 10.183 4.589 ( -1.147 0.000 -2.527) 2.775 5.034 ( 3.910 0.000 6.867) 7.902 5.521 ( 6.301 0.000 -16.238) 17.418 6.149 ( -2.414 0.000 -5.211) 5.743 7.392 ( 1.330 0.000 0.465) 1.409 7.521 ( 2.202 0.000 -2.077) 3.027 7.631 ( -0.487 0.000 2.133) 2.188 7.865 ( 0.980 0.000 -2.427) 2.618 8.213 ( -1.322 0.000 3.845) 4.066 8.400 ( -0.412 0.000 2.001) 2.043 8.593 ( -1.030 0.000 -0.812) 1.311 8.757 ( 3.016 0.000 -6.662) 7.313 11.845 ( 2.672 0.000 1.313) 2.977 12.080 ( 0.661 0.000 0.832) 1.063 12.812 ( 0.514 0.000 0.128) 0.530 12.813 ( 0.645 0.000 -1.032) 1.217 12.915 ( -1.461 0.000 1.735) 2.268 12.983 ( 2.262 0.000 -1.328) 2.623 13.138 ( -2.370 0.000 -1.301) 2.704 13.247 ( 0.116 0.000 -3.303) 3.305 13.748 ( -3.444 0.000 6.418) 7.283 13.991 ( 1.566 0.000 -2.730) 3.148 ======================= Grid point 207 (94/192) ======================= q-point: ( 0.00 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -8.429 6.831 15.838) 19.198 1.166 ( 15.038 5.788 21.028) 26.492 1.456 ( -5.952 4.936 7.026) 10.448 1.705 ( 0.076 -0.362 -0.575) 0.683 1.920 ( 0.713 2.909 1.349) 3.285 2.084 ( -3.294 -2.120 5.128) 6.453 2.212 ( -2.070 2.378 -0.715) 3.233 2.312 ( 0.002 2.893 3.019) 4.181 2.426 ( -0.737 -0.475 -1.036) 1.357 2.534 ( -0.717 0.969 -1.638) 2.034 3.332 ( 3.618 1.318 1.348) 4.079 3.529 ( -2.256 -0.735 -0.476) 2.420 3.826 ( 0.931 -0.091 2.837) 2.987 3.966 ( -2.978 6.458 7.211) 10.127 4.561 ( -2.442 1.101 2.461) 3.638 5.205 ( 7.323 -1.078 10.680) 12.994 5.570 ( 6.819 5.453 -13.489) 16.068 5.944 ( -9.357 -1.668 -10.702) 14.313 7.328 ( -0.002 -5.690 0.495) 5.712 7.554 ( -0.647 1.111 -4.546) 4.724 7.654 ( -0.891 2.137 4.892) 5.413 7.921 ( 0.449 5.631 -3.287) 6.536 8.244 ( 0.371 0.235 4.840) 4.860 8.403 ( 0.297 -1.332 1.822) 2.276 8.549 ( -2.289 0.219 -2.022) 3.061 8.724 ( 1.296 -1.500 -6.567) 6.860 11.938 ( 3.674 0.830 3.445) 5.104 12.088 ( -2.246 2.450 -1.151) 3.518 12.778 ( 1.261 -3.132 0.641) 3.436 12.811 ( -0.672 -2.226 0.143) 2.330 12.898 ( -0.914 -0.345 1.613) 1.886 13.021 ( 1.925 0.596 -2.325) 3.077 13.101 ( -0.778 0.522 -0.858) 1.271 13.219 ( -0.007 0.578 -4.353) 4.391 13.697 ( -4.053 -1.967 6.714) 8.085 14.020 ( 1.198 1.360 -2.971) 3.481 ======================= Grid point 208 (95/192) ======================= q-point: ( 0.11 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -4.692 11.006 11.088) 16.312 1.312 ( -6.896 5.408 13.063) 15.731 1.694 ( 10.514 -2.849 7.112) 13.009 1.740 ( 9.998 -0.827 -2.215) 10.273 1.958 ( 0.384 2.851 4.599) 5.425 2.034 ( -4.018 0.373 -1.204) 4.211 2.170 ( -2.827 -0.329 2.260) 3.634 2.309 ( -1.106 -0.424 -0.416) 1.255 2.433 ( 0.572 3.041 1.028) 3.261 2.530 ( 2.244 1.194 -0.994) 2.730 3.408 ( 4.260 -1.046 -0.272) 4.395 3.503 ( -0.888 -0.260 1.126) 1.457 3.879 ( 1.863 0.352 3.687) 4.146 3.998 ( -0.232 6.369 8.038) 10.258 4.544 ( -1.532 -0.062 2.660) 3.070 5.425 ( 7.359 -2.034 7.657) 10.813 5.577 ( -1.160 3.724 -9.985) 10.719 5.680 ( -2.934 3.635 -11.372) 12.294 7.318 ( -1.770 -5.108 1.061) 5.509 7.491 ( -2.276 1.775 -4.029) 4.956 7.676 ( -1.096 1.613 5.601) 5.931 7.901 ( 0.451 5.467 -3.843) 6.697 8.299 ( 0.923 -0.830 4.921) 5.075 8.421 ( 0.247 -1.793 0.305) 1.835 8.497 ( -1.425 1.172 -0.485) 1.908 8.685 ( 0.113 -0.599 -6.191) 6.221 11.988 ( -3.438 0.799 -0.206) 3.535 12.059 ( 2.522 2.269 1.363) 3.656 12.792 ( -1.230 -3.473 -0.217) 3.691 12.813 ( 1.722 -1.759 0.523) 2.517 12.903 ( 0.029 -0.329 1.691) 1.723 13.031 ( 1.520 -0.079 -2.793) 3.181 13.097 ( 0.316 1.258 0.851) 1.551 13.178 ( -0.426 0.984 -4.699) 4.820 13.675 ( -4.445 -0.832 7.206) 8.507 14.021 ( 1.530 0.363 -2.688) 3.114 ======================= Grid point 209 (96/192) ======================= q-point: ( 0.22 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 3.338 8.411 8.379) 12.333 1.324 ( -1.141 4.794 9.322) 10.544 1.729 ( -1.819 -0.231 -2.091) 2.780 1.871 ( -3.842 0.731 -4.712) 6.124 1.944 ( 4.363 0.369 -1.787) 4.729 2.121 ( 6.848 0.889 4.098) 8.030 2.146 ( -0.524 -3.875 5.134) 6.453 2.289 ( -0.265 -1.535 -1.269) 2.010 2.440 ( 0.513 2.761 -0.455) 2.845 2.590 ( 3.461 0.165 -0.054) 3.465 3.486 ( 4.176 -3.082 0.702) 5.237 3.509 ( -0.599 -0.620 3.383) 3.491 3.940 ( 1.006 0.176 4.088) 4.214 4.071 ( -0.152 7.043 10.096) 12.311 4.551 ( 1.352 -2.792 -0.173) 3.107 5.335 ( -9.090 1.131 -8.795) 12.699 5.553 ( 7.494 3.446 -7.900) 11.421 5.743 ( 4.342 3.270 4.304) 6.933 7.284 ( -3.134 -4.031 1.809) 5.417 7.419 ( -2.483 2.419 -2.605) 4.336 7.704 ( -0.985 1.581 5.802) 6.094 7.879 ( 0.802 5.065 -4.260) 6.667 8.342 ( -0.101 -1.971 3.506) 4.023 8.415 ( 0.622 -0.443 -1.753) 1.912 8.499 ( 0.126 0.374 1.988) 2.027 8.636 ( -0.499 1.112 -4.807) 4.959 11.891 ( -4.817 2.711 -1.636) 5.764 12.122 ( 2.005 1.134 1.031) 2.524 12.766 ( -1.149 -3.746 -0.295) 3.930 12.838 ( 0.940 -0.153 -0.700) 1.182 12.925 ( 0.796 -0.126 1.723) 1.902 13.033 ( 0.961 -0.233 -2.813) 2.982 13.123 ( 1.222 0.721 2.013) 2.463 13.137 ( -0.128 0.456 -3.771) 3.800 13.655 ( -4.152 -0.093 7.647) 8.702 14.031 ( 1.579 0.048 -2.328) 2.814 ======================= Grid point 210 (97/192) ======================= q-point: ( 0.33 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 8.783 2.246 7.480) 11.753 1.419 ( 4.869 4.825 5.942) 9.071 1.584 ( -7.793 3.485 -5.170) 9.980 1.846 ( 2.133 -1.575 -1.683) 3.141 1.982 ( 0.657 2.631 0.886) 2.853 2.100 ( -3.436 -1.951 2.202) 4.523 2.274 ( 0.016 -1.453 -1.077) 1.808 2.326 ( 7.510 -3.037 1.865) 8.313 2.455 ( 1.703 1.322 -0.671) 2.258 2.625 ( 1.441 -1.661 -2.752) 3.522 3.511 ( -3.449 -3.331 7.198) 8.648 3.585 ( 4.817 -1.703 1.779) 5.410 3.963 ( -2.175 -0.873 3.704) 4.383 4.133 ( -3.110 8.215 12.233) 15.060 4.590 ( 5.085 -6.184 -5.025) 9.453 5.188 ( -0.991 2.607 -3.094) 4.165 5.602 ( 7.481 6.899 -13.383) 16.813 5.796 ( -3.844 -0.123 5.521) 6.729 7.242 ( -3.033 -3.012 2.268) 4.839 7.369 ( -1.313 3.201 -0.930) 3.583 7.725 ( -1.758 2.126 5.218) 5.902 7.864 ( 1.390 4.247 -4.353) 6.239 8.352 ( -1.005 -3.057 1.904) 3.739 8.433 ( 2.693 0.352 -1.364) 3.039 8.508 ( -0.676 0.142 0.976) 1.196 8.598 ( -0.522 2.800 -2.483) 3.779 11.812 ( -2.547 4.002 -0.370) 4.758 12.136 ( -0.286 1.277 -1.338) 1.872 12.750 ( -0.479 -3.392 0.170) 3.430 12.838 ( 0.256 0.876 -1.656) 1.891 12.947 ( 0.481 0.720 0.246) 0.900 13.018 ( -0.200 -0.225 -2.675) 2.692 13.121 ( 0.948 -0.799 -1.415) 1.881 13.171 ( 1.840 -0.251 2.582) 3.180 13.649 ( -3.335 0.221 8.058) 8.724 14.037 ( 1.139 0.303 -2.426) 2.697 ======================= Grid point 211 (98/192) ======================= q-point: (-0.56 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -3.297 1.962 7.661) 8.568 1.449 ( 2.347 -0.152 -1.564) 2.824 1.594 ( 9.508 2.804 3.061) 10.375 1.874 ( 0.857 -1.649 0.251) 1.875 1.986 ( -1.719 3.172 2.199) 4.225 2.060 ( -1.291 0.183 -0.028) 1.304 2.264 ( 0.086 -1.704 -1.173) 2.070 2.415 ( 0.393 -3.223 1.837) 3.731 2.502 ( 4.898 -1.137 -2.778) 5.745 2.605 ( 0.097 -2.308 -4.865) 5.386 3.487 ( -7.364 -2.985 11.000) 13.570 3.680 ( 3.272 -0.098 2.605) 4.183 3.925 ( -4.377 -2.567 2.785) 5.788 4.151 ( -5.923 9.315 13.084) 17.119 4.644 ( 6.436 -7.905 -8.651) 13.370 5.260 ( 8.460 2.425 3.282) 9.392 5.598 ( -0.814 2.922 -7.502) 8.092 5.697 ( -4.822 3.740 -5.394) 8.145 7.217 ( -1.590 -2.479 2.420) 3.812 7.360 ( 0.670 4.044 0.193) 4.104 7.717 ( -3.148 2.212 3.945) 5.510 7.861 ( 1.900 3.491 -3.919) 5.582 8.341 ( -1.419 -3.292 1.187) 3.776 8.472 ( 1.414 -1.114 -1.715) 2.486 8.505 ( 0.808 2.246 1.042) 2.605 8.577 ( 0.238 2.959 -1.548) 3.348 11.802 ( 0.901 4.619 1.645) 4.986 12.093 ( -2.180 2.097 -3.516) 4.638 12.752 ( 0.219 -2.889 0.578) 2.955 12.829 ( 0.281 0.621 -1.681) 1.814 12.945 ( -0.000 1.274 -1.401) 1.894 12.987 ( -0.788 -0.060 -2.542) 2.662 13.145 ( 1.540 -1.524 1.088) 2.424 13.221 ( 1.302 -1.070 1.998) 2.614 13.661 ( -2.558 0.462 8.313) 8.710 14.033 ( 0.712 0.688 -2.849) 3.016 ======================= Grid point 212 (99/192) ======================= q-point: (-0.44 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -8.155 2.908 7.575) 11.504 1.539 ( 2.682 -1.248 -0.364) 2.980 1.714 ( -1.726 -3.556 1.046) 4.089 1.882 ( 0.861 1.124 1.414) 2.001 1.973 ( -0.555 1.327 2.735) 3.091 2.055 ( 0.222 2.172 -0.941) 2.377 2.267 ( 1.248 -2.137 -0.354) 2.500 2.400 ( -2.579 -3.464 0.785) 4.390 2.524 ( 0.557 -1.977 -6.579) 6.892 2.594 ( 2.856 -1.693 -2.513) 4.164 3.416 ( -11.342 -0.057 14.024) 18.036 3.728 ( 0.311 1.877 0.974) 2.138 3.872 ( -4.080 -3.578 3.903) 6.685 4.133 ( -6.987 9.426 12.314) 17.009 4.674 ( 4.844 -7.039 -9.974) 13.134 5.378 ( -16.113 -1.534 2.897) 16.443 5.520 ( 13.444 0.988 4.168) 14.110 5.642 ( 6.352 7.317 -15.238) 18.058 7.224 ( 0.199 -2.690 2.182) 3.469 7.395 ( 2.875 4.893 0.510) 5.698 7.679 ( -3.663 1.289 2.749) 4.758 7.872 ( 2.265 3.371 -2.966) 5.029 8.317 ( -2.344 -2.165 0.980) 3.338 8.457 ( -1.076 -0.632 -0.651) 1.407 8.532 ( 0.505 2.350 0.863) 2.554 8.605 ( 4.546 1.098 -2.314) 5.217 11.861 ( 2.913 3.789 2.901) 5.591 12.013 ( -2.601 3.587 -4.514) 6.325 12.764 ( 0.566 -2.579 0.626) 2.713 12.819 ( 0.044 -0.098 -1.711) 1.714 12.933 ( -0.182 0.700 -0.998) 1.233 12.958 ( 0.077 0.765 -2.209) 2.339 13.184 ( 1.367 -1.898 1.526) 2.793 13.243 ( -0.135 -1.436 0.769) 1.635 13.685 ( -2.144 0.418 8.218) 8.503 14.022 ( 0.786 1.120 -3.108) 3.395 ======================= Grid point 213 (100/192) ======================= q-point: (-0.33 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -9.332 1.204 11.270) 14.682 1.417 ( -15.100 -1.084 -5.696) 16.175 1.657 ( -2.500 -2.806 2.573) 4.555 1.890 ( -1.569 -0.241 0.504) 1.665 1.978 ( -1.264 1.597 -2.041) 2.884 2.072 ( 1.912 -0.014 2.796) 3.387 2.300 ( 1.342 -1.352 0.610) 2.000 2.345 ( -3.328 -1.826 -0.774) 3.875 2.470 ( -1.002 0.857 -3.809) 4.031 2.621 ( 1.558 -1.677 -2.335) 3.270 3.314 ( -11.538 3.968 14.222) 18.738 3.714 ( -0.865 0.656 -2.767) 2.972 3.833 ( -5.313 -1.603 7.321) 9.187 4.098 ( -6.704 7.965 10.140) 14.533 4.660 ( 1.790 -4.138 -8.453) 9.580 5.119 ( -12.761 0.103 2.774) 13.060 5.600 ( 6.073 4.973 -16.937) 18.668 5.852 ( 13.325 -1.650 6.816) 15.058 7.253 ( 1.314 -3.537 1.418) 4.031 7.466 ( 4.329 5.382 0.155) 6.908 7.638 ( -2.808 -0.087 2.099) 3.507 7.896 ( 2.426 4.167 -1.921) 5.190 8.274 ( -3.019 -0.655 1.034) 3.258 8.429 ( -1.656 0.184 0.053) 1.667 8.555 ( 1.311 0.444 0.928) 1.667 8.675 ( 5.077 -0.056 -3.405) 6.113 11.887 ( -1.885 1.496 -1.820) 3.017 11.992 ( 3.308 5.442 0.905) 6.433 12.777 ( 0.289 -2.511 0.305) 2.546 12.803 ( -0.088 -0.545 -1.649) 1.740 12.925 ( -0.123 0.133 -0.183) 0.258 12.956 ( 0.933 1.216 -1.165) 1.925 13.215 ( 0.859 -2.304 0.254) 2.472 13.230 ( -1.043 -1.231 -0.363) 1.654 13.709 ( -2.278 -0.371 7.572) 7.916 14.016 ( 1.249 1.761 -2.941) 3.649 ======================= Grid point 214 (101/192) ======================= q-point: (-0.22 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -22.717 -0.086 -2.575) 22.863 1.148 ( -10.866 0.433 14.813) 18.376 1.625 ( -3.987 0.543 2.955) 4.992 1.834 ( -4.716 2.496 0.302) 5.344 1.938 ( -0.051 0.642 -3.695) 3.751 2.116 ( -1.058 -2.028 4.096) 4.692 2.266 ( -3.542 3.348 1.032) 4.981 2.312 ( -1.358 -0.212 0.479) 1.456 2.450 ( 0.734 1.065 -1.140) 1.724 2.609 ( -1.180 -0.994 -1.250) 1.986 3.250 ( -5.826 5.099 10.269) 12.861 3.658 ( -2.619 -1.196 -2.753) 3.983 3.804 ( -3.454 -0.226 5.990) 6.918 4.047 ( -6.954 6.866 8.201) 12.758 4.621 ( -0.308 -1.036 -3.766) 3.918 4.991 ( -4.367 0.500 4.495) 6.286 5.576 ( 5.766 3.702 -15.617) 17.054 6.082 ( 7.050 -3.149 2.102) 8.002 7.287 ( 1.447 -4.677 0.618) 4.935 7.544 ( 4.391 5.269 -1.196) 6.963 7.615 ( -1.640 -1.253 2.335) 3.116 7.923 ( 1.917 5.385 -1.687) 5.960 8.234 ( -2.542 0.484 2.067) 3.312 8.402 ( -1.451 -0.036 0.522) 1.543 8.585 ( 1.064 -0.618 0.489) 1.324 8.725 ( 3.995 -0.899 -4.926) 6.406 11.843 ( -0.546 1.988 -1.189) 2.380 12.068 ( 2.915 3.732 1.665) 5.020 12.771 ( -0.489 -2.883 -0.701) 3.007 12.803 ( 0.731 -0.820 -0.292) 1.137 12.921 ( -0.936 -0.106 1.075) 1.430 12.972 ( 1.834 1.126 -1.217) 2.472 13.183 ( -2.016 -1.206 -1.557) 2.818 13.240 ( 1.339 -1.594 -1.312) 2.461 13.719 ( -2.823 -1.665 6.682) 7.442 14.019 ( 1.451 2.355 -2.698) 3.864 ======================= Grid point 215 (102/192) ======================= q-point: (-0.11 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -1.557 6.302 17.316) 18.493 1.074 ( -10.954 3.205 16.804) 20.313 1.555 ( -7.183 3.881 4.489) 9.317 1.746 ( -4.211 2.516 -0.088) 4.906 1.915 ( 0.015 1.795 -1.741) 2.501 2.101 ( -3.826 -1.534 5.813) 7.126 2.241 ( -1.498 3.386 1.926) 4.174 2.293 ( -0.572 1.489 0.969) 1.867 2.451 ( -0.251 0.080 -1.062) 1.094 2.569 ( -1.891 -0.263 -0.933) 2.125 3.266 ( 0.505 3.563 5.056) 6.206 3.587 ( -3.146 -1.494 -1.352) 3.736 3.802 ( -0.811 -0.221 3.162) 3.272 3.989 ( -5.834 6.726 7.459) 11.615 4.589 ( -1.808 0.752 0.285) 1.979 5.031 ( 3.062 0.141 7.777) 8.359 5.564 ( 6.116 3.860 -14.436) 16.146 6.117 ( -2.051 -2.967 -4.911) 6.094 7.314 ( 1.048 -5.533 0.337) 5.642 7.581 ( 1.748 2.192 -4.484) 5.288 7.625 ( -0.259 1.043 4.740) 4.861 7.933 ( 0.960 5.859 -2.448) 6.422 8.220 ( -1.362 0.867 3.530) 3.882 8.391 ( -0.488 -0.773 1.273) 1.567 8.589 ( -0.674 -0.534 -0.825) 1.192 8.740 ( 2.596 -1.499 -6.175) 6.864 11.860 ( 2.220 1.588 1.554) 3.140 12.109 ( 0.452 2.742 0.397) 2.807 12.763 ( 0.147 -3.442 -0.166) 3.449 12.813 ( 0.257 -1.274 0.134) 1.307 12.908 ( -1.481 -0.286 1.566) 2.175 12.999 ( 2.249 0.989 -1.699) 2.987 13.135 ( -1.643 -0.458 -1.856) 2.520 13.243 ( 0.795 -0.563 -3.119) 3.268 13.714 ( -3.449 -2.423 6.354) 7.625 14.022 ( 1.228 2.258 -2.818) 3.814 ======================= Grid point 216 (103/192) ======================= q-point: ( 0.00 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 2.644 7.746 15.489) 17.518 1.354 ( 5.781 12.161 10.141) 16.857 1.573 ( -1.182 5.903 -0.348) 6.031 1.712 ( -3.468 1.554 -0.978) 3.924 1.986 ( 1.703 3.586 0.634) 4.020 2.057 ( -2.013 -0.476 3.282) 3.880 2.237 ( -1.490 0.199 -2.773) 3.154 2.347 ( -2.858 -0.116 -1.389) 3.180 2.450 ( 1.839 3.050 2.256) 4.216 2.543 ( -0.306 -0.262 0.160) 0.433 3.358 ( 2.208 1.113 -1.066) 2.693 3.532 ( -0.915 1.214 -1.012) 1.826 3.839 ( 1.288 1.221 1.205) 2.146 4.072 ( 0.351 3.201 -0.922) 3.350 4.652 ( -7.389 8.918 13.290) 17.628 5.202 ( 5.344 0.751 11.492) 12.696 5.691 ( 6.895 6.212 -9.993) 13.638 5.904 ( -7.366 -2.164 -9.159) 11.951 7.218 ( -0.274 -4.960 1.812) 5.288 7.521 ( -0.586 -3.722 -1.251) 3.971 7.726 ( -0.559 4.018 1.804) 4.440 8.040 ( 0.565 5.259 -3.266) 6.217 8.265 ( -0.231 2.003 2.463) 3.183 8.377 ( 0.873 -1.010 -0.227) 1.354 8.543 ( -1.811 -0.797 -0.996) 2.216 8.689 ( 1.137 -1.858 -4.937) 5.396 11.967 ( 2.295 2.118 3.573) 4.745 12.153 ( -1.540 3.865 -1.908) 4.577 12.690 ( 1.045 -5.867 0.798) 6.012 12.741 ( -0.874 -4.291 -0.201) 4.384 12.894 ( -0.899 -0.190 1.342) 1.626 13.021 ( 0.862 -0.959 -2.402) 2.727 13.118 ( 1.013 1.324 -0.549) 1.755 13.234 ( 1.030 1.067 -3.698) 3.984 13.671 ( -3.512 -0.243 6.909) 7.754 14.036 ( 0.438 -0.049 -3.846) 3.872 ======================= Grid point 217 (104/192) ======================= q-point: ( 0.11 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -0.733 13.001 3.680) 13.532 1.430 ( -4.743 5.435 8.175) 10.902 1.659 ( 2.522 -0.030 6.224) 6.715 1.738 ( 10.162 1.264 -2.395) 10.517 2.017 ( -1.459 2.889 1.509) 3.571 2.059 ( 0.898 2.433 3.851) 4.642 2.160 ( -3.598 -1.075 -4.003) 5.489 2.288 ( -1.690 -1.211 -1.580) 2.611 2.492 ( -0.129 2.206 0.974) 2.415 2.553 ( 1.870 0.947 0.355) 2.126 3.389 ( 2.977 -0.482 -2.793) 4.110 3.516 ( -0.796 1.588 0.660) 1.895 3.886 ( 2.618 0.182 1.136) 2.859 4.099 ( 3.441 2.608 -1.328) 4.517 4.619 ( -7.982 8.581 13.841) 18.136 5.400 ( 5.139 -0.693 11.925) 13.004 5.622 ( -8.404 1.391 -10.605) 13.602 5.790 ( 6.806 6.302 -8.988) 12.917 7.222 ( -1.294 -4.158 2.537) 5.040 7.497 ( 0.145 -1.243 -3.920) 4.115 7.721 ( -2.502 2.505 5.073) 6.187 8.022 ( 0.436 5.766 -3.852) 6.948 8.290 ( 0.531 0.259 2.534) 2.602 8.393 ( 1.476 -0.787 -1.451) 2.214 8.506 ( -1.265 -0.281 -0.013) 1.296 8.671 ( 0.928 -0.711 -4.039) 4.205 12.011 ( -1.409 1.603 2.070) 2.973 12.125 ( 1.149 4.245 -1.185) 4.554 12.691 ( -1.283 -6.430 0.139) 6.559 12.760 ( 2.789 -3.444 0.181) 4.435 12.896 ( -0.091 -0.416 1.611) 1.666 13.017 ( 0.924 -1.394 -2.302) 2.845 13.136 ( 0.898 2.503 0.258) 2.672 13.208 ( -0.136 2.013 -4.802) 5.209 13.665 ( -3.698 0.073 7.697) 8.539 14.019 ( 1.176 -0.839 -3.582) 3.862 ======================= Grid point 218 (105/192) ======================= q-point: ( 0.22 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 1.451 10.479 -1.205) 10.647 1.432 ( -0.360 5.280 5.835) 7.877 1.715 ( 0.923 -0.786 1.037) 1.595 1.892 ( 3.385 -1.209 -2.020) 4.123 1.944 ( -2.139 2.674 -1.612) 3.785 2.084 ( -2.536 -2.340 0.063) 3.451 2.155 ( 5.083 2.418 4.323) 7.097 2.258 ( -0.591 -1.322 -1.240) 1.906 2.479 ( -0.518 0.819 -1.132) 1.490 2.589 ( 1.091 -0.339 0.077) 1.145 3.426 ( 3.238 -2.023 -2.276) 4.445 3.512 ( -0.811 0.790 2.765) 2.988 3.936 ( 1.454 -0.786 0.908) 1.886 4.164 ( 5.169 0.793 -2.592) 5.837 4.587 ( -7.545 7.882 13.940) 17.703 5.375 ( -7.026 3.166 -6.817) 10.289 5.578 ( 2.719 -1.272 8.618) 9.126 5.853 ( 6.646 6.776 -8.830) 12.964 7.211 ( -2.386 -2.843 3.183) 4.890 7.466 ( 0.417 2.211 -4.829) 5.327 7.730 ( -1.941 0.454 7.355) 7.620 7.994 ( 0.339 5.624 -4.710) 7.343 8.310 ( -0.277 -0.774 1.184) 1.441 8.410 ( 2.288 0.261 -2.316) 3.266 8.504 ( 0.146 -0.075 1.293) 1.303 8.660 ( 0.580 1.127 -2.342) 2.664 11.964 ( -3.178 4.288 -0.218) 5.342 12.160 ( 2.014 2.938 -0.070) 3.563 12.671 ( -0.886 -5.757 0.296) 5.832 12.812 ( 2.589 -2.563 -0.488) 3.675 12.918 ( 0.832 -0.678 2.070) 2.331 13.017 ( 0.857 -1.405 -2.226) 2.769 13.149 ( 0.253 2.158 -1.106) 2.438 13.164 ( -0.125 2.213 -3.180) 3.876 13.658 ( -3.688 0.561 7.767) 8.616 14.023 ( 1.888 -0.977 -2.634) 3.385 ======================= Grid point 219 (106/192) ======================= q-point: ( 0.33 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 5.439 4.021 -1.847) 7.012 1.510 ( 4.789 3.367 2.492) 6.363 1.667 ( -6.175 4.399 -1.256) 7.685 1.836 ( 0.852 0.940 -3.899) 4.100 2.004 ( 2.897 -1.070 1.710) 3.530 2.052 ( -2.042 -1.700 1.501) 3.052 2.241 ( -0.313 -1.589 -1.117) 1.968 2.279 ( 4.795 -1.172 2.342) 5.464 2.462 ( -0.197 -0.968 -1.518) 1.811 2.588 ( -0.075 -1.697 -2.077) 2.684 3.449 ( -1.676 -2.147 3.580) 4.498 3.556 ( 4.273 -0.969 1.114) 4.521 3.938 ( -2.108 -1.883 0.665) 2.904 4.233 ( 4.885 -0.855 -3.634) 6.148 4.572 ( -5.932 7.077 13.327) 16.214 5.270 ( 0.084 5.523 -2.549) 6.083 5.643 ( -3.372 -3.214 7.590) 8.905 5.872 ( 4.435 7.059 -11.525) 14.224 7.191 ( -2.593 -1.660 3.531) 4.685 7.444 ( 1.177 4.395 -3.649) 5.833 7.755 ( -2.016 -0.044 7.037) 7.320 7.964 ( 0.788 5.087 -5.064) 7.220 8.301 ( -0.842 -1.432 -0.353) 1.699 8.439 ( 2.787 0.458 -2.683) 3.896 8.521 ( 0.547 1.057 1.624) 2.013 8.652 ( -0.106 2.557 -0.910) 2.716 11.920 ( -1.452 6.394 0.543) 6.580 12.178 ( 0.455 3.047 -1.399) 3.384 12.666 ( -0.264 -5.050 1.073) 5.170 12.838 ( 1.236 -1.191 -1.545) 2.310 12.952 ( 0.945 -0.525 1.630) 1.956 13.005 ( -0.147 -1.077 -2.559) 2.780 13.120 ( 0.541 1.068 -3.721) 3.908 13.175 ( 0.816 0.951 0.956) 1.577 13.660 ( -2.914 1.017 8.079) 8.649 14.038 ( 1.657 -0.459 -2.287) 2.861 ======================= Grid point 220 (107/192) ======================= q-point: (-0.56 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 6.567 -1.296 -0.603) 6.720 1.517 ( -5.878 4.364 -1.771) 7.532 1.640 ( 3.957 2.636 2.364) 5.310 1.845 ( 2.207 -0.976 -2.790) 3.689 2.027 ( -1.964 0.583 1.718) 2.674 2.060 ( 1.743 -0.302 1.402) 2.257 2.228 ( -0.106 -1.238 -0.617) 1.388 2.340 ( 0.089 -3.909 0.863) 4.004 2.456 ( 1.735 -3.426 -2.577) 4.625 2.564 ( 0.336 -1.363 -3.893) 4.138 3.434 ( -4.681 -1.831 7.693) 9.189 3.663 ( 6.121 -1.230 0.446) 6.259 3.879 ( -4.428 -2.291 0.639) 5.027 4.276 ( 2.630 -0.691 -2.954) 4.015 4.586 ( -3.508 6.149 11.533) 13.533 5.336 ( 6.821 5.211 2.580) 8.963 5.564 ( -11.138 -4.096 6.185) 13.383 5.842 ( 3.980 7.656 -14.818) 17.147 7.178 ( -1.904 -1.105 3.608) 4.226 7.456 ( 2.844 5.582 -2.418) 6.715 7.753 ( -3.888 0.324 5.327) 6.603 7.945 ( 1.463 4.532 -4.601) 6.621 8.284 ( -0.355 -1.766 -0.453) 1.858 8.450 ( 1.002 -1.118 -3.545) 3.850 8.557 ( 1.927 2.860 1.654) 3.825 8.639 ( -0.767 3.078 -0.408) 3.198 11.923 ( 0.459 6.936 2.147) 7.276 12.157 ( -0.692 4.403 -2.951) 5.346 12.676 ( 0.125 -4.581 1.772) 4.913 12.835 ( 0.133 -0.376 -2.118) 2.156 12.961 ( -0.588 0.131 -0.715) 0.935 12.982 ( 0.171 -0.569 -2.057) 2.142 13.121 ( 1.493 -0.314 -1.149) 1.910 13.197 ( 0.814 -0.903 0.555) 1.337 13.681 ( -2.242 1.579 8.465) 8.898 14.044 ( 1.164 0.180 -2.629) 2.880 ======================= Grid point 221 (108/192) ======================= q-point: (-0.44 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -7.132 3.863 2.060) 8.368 1.507 ( 4.176 -1.561 0.047) 4.458 1.646 ( -5.130 -2.568 -1.658) 5.972 1.862 ( 2.107 -1.577 -2.669) 3.748 2.025 ( -0.011 2.253 3.074) 3.811 2.077 ( -0.184 0.064 -1.147) 1.163 2.245 ( 2.028 0.508 1.104) 2.364 2.325 ( -1.470 -3.931 0.792) 4.271 2.470 ( 2.024 -3.220 -4.441) 5.847 2.549 ( 1.672 -2.482 -3.669) 4.735 3.403 ( -5.940 -0.851 8.875) 10.713 3.752 ( 1.975 0.091 -1.217) 2.321 3.815 ( -2.017 -2.115 1.884) 3.478 4.278 ( -0.686 0.942 -1.202) 1.674 4.621 ( -2.081 5.785 9.339) 11.181 5.354 ( -14.646 -0.949 4.865) 15.462 5.544 ( 10.776 1.619 4.863) 11.933 5.787 ( 3.270 6.381 -14.977) 16.605 7.180 ( -0.899 -1.385 3.214) 3.614 7.507 ( 4.467 6.116 -1.898) 7.808 7.701 ( -5.341 0.191 3.335) 6.299 7.950 ( 2.507 4.113 -2.878) 5.611 8.279 ( -0.378 -1.096 0.062) 1.161 8.432 ( 0.419 -1.893 -3.198) 3.740 8.591 ( -0.450 3.293 0.891) 3.441 8.636 ( 1.878 1.865 -0.548) 2.703 11.954 ( 0.053 5.161 2.648) 5.801 12.119 ( -0.065 6.859 -3.356) 7.637 12.695 ( 0.169 -4.348 1.944) 4.766 12.814 ( -0.553 -0.639 -2.145) 2.305 12.939 ( -0.588 -0.044 -0.989) 1.151 12.975 ( 0.548 0.431 -1.749) 1.883 13.144 ( 1.279 -1.608 -0.203) 2.065 13.208 ( 0.175 -1.780 -0.319) 1.817 13.706 ( -2.400 1.843 8.163) 8.706 14.043 ( 1.267 0.719 -2.850) 3.201 ======================= Grid point 222 (109/192) ======================= q-point: (-0.33 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -9.954 0.428 3.098) 10.434 1.389 ( -13.164 1.417 -2.914) 13.557 1.614 ( 1.752 -1.001 2.112) 2.921 1.876 ( 1.323 -1.009 -2.000) 2.602 2.024 ( -1.614 2.426 -1.754) 3.401 2.077 ( 0.734 0.712 1.177) 1.560 2.295 ( 0.566 -0.849 1.177) 1.558 2.317 ( 0.998 0.480 0.909) 1.433 2.454 ( 0.594 -1.694 -4.151) 4.522 2.565 ( 2.310 -3.940 -2.630) 5.270 3.362 ( -5.647 0.796 7.746) 9.618 3.706 ( -2.962 -1.188 -2.217) 3.886 3.836 ( -0.048 1.284 2.129) 2.487 4.234 ( -3.265 2.381 -0.281) 4.050 4.651 ( -2.508 6.448 8.500) 10.960 5.139 ( -12.046 1.768 5.026) 13.171 5.699 ( 4.000 4.339 -12.449) 13.777 5.819 ( 10.115 -1.195 3.272) 10.698 7.192 ( -0.323 -2.362 2.299) 3.312 7.579 ( 4.730 5.654 -1.531) 7.528 7.628 ( -4.547 -1.139 1.774) 5.012 7.990 ( 3.341 4.703 -1.021) 5.858 8.265 ( -1.063 0.052 -0.054) 1.066 8.421 ( 0.209 -1.389 -1.699) 2.205 8.575 ( -1.075 1.745 0.511) 2.112 8.678 ( 2.898 0.343 -1.544) 3.302 11.942 ( -2.331 3.864 0.174) 4.516 12.125 ( 2.247 7.439 -0.611) 7.795 12.707 ( -0.459 -4.509 1.245) 4.700 12.786 ( -0.711 -1.342 -1.413) 2.074 12.928 ( -0.372 0.023 0.071) 0.380 12.976 ( 1.014 0.611 -1.400) 1.833 13.157 ( 0.535 -3.076 -1.133) 3.322 13.203 ( 0.165 -1.116 -0.934) 1.464 13.717 ( -3.121 1.411 6.969) 7.766 14.048 ( 1.694 1.156 -2.573) 3.290 ======================= Grid point 223 (110/192) ======================= q-point: (-0.22 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -14.494 2.403 1.647) 14.784 1.244 ( -6.400 8.447 7.434) 12.945 1.643 ( -0.393 1.253 1.312) 1.857 1.871 ( -0.862 0.770 -1.386) 1.805 1.978 ( -0.523 3.446 -3.406) 4.873 2.087 ( -1.150 -0.786 1.954) 2.399 2.287 ( -0.989 -1.095 0.265) 1.499 2.344 ( 0.814 3.538 -0.750) 3.708 2.450 ( 1.296 -1.052 -1.079) 1.988 2.571 ( -0.271 -2.998 -1.132) 3.216 3.331 ( -3.194 2.185 4.988) 6.313 3.632 ( -3.096 -0.932 -2.142) 3.879 3.833 ( -1.536 2.666 1.733) 3.532 4.164 ( -3.813 2.881 -0.545) 4.810 4.666 ( -3.737 7.464 9.925) 12.969 5.026 ( -5.377 2.950 6.939) 9.261 5.662 ( 4.147 4.639 -12.706) 14.148 6.005 ( 6.413 -4.210 1.369) 7.793 7.202 ( -0.282 -3.689 1.435) 3.969 7.572 ( -3.181 -2.984 2.034) 4.812 7.649 ( 4.372 4.866 -1.947) 6.825 8.038 ( 2.434 5.224 -1.255) 5.898 8.252 ( -0.461 1.478 0.917) 1.799 8.401 ( -1.272 -0.213 -0.887) 1.565 8.570 ( 0.097 -0.596 0.235) 0.648 8.706 ( 2.140 -0.927 -3.096) 3.877 11.904 ( -1.342 4.034 0.190) 4.256 12.164 ( 1.746 5.528 0.218) 5.801 12.694 ( -1.259 -4.863 -0.082) 5.024 12.771 ( -0.475 -2.490 0.130) 2.538 12.920 ( -1.104 -0.174 0.960) 1.474 12.991 ( 1.864 0.831 -1.266) 2.401 13.141 ( -0.556 -3.034 -2.212) 3.796 13.211 ( 1.636 -0.703 -1.398) 2.264 13.706 ( -3.588 0.651 5.856) 6.899 14.058 ( 1.459 1.221 -2.552) 3.183 ======================= Grid point 224 (111/192) ======================= q-point: (-0.11 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 0.751 10.166 15.455) 18.514 1.238 ( -1.125 11.878 8.445) 14.618 1.620 ( -2.489 2.660 0.001) 3.643 1.809 ( -4.733 3.245 -1.174) 5.857 1.964 ( 1.317 3.189 -2.132) 4.056 2.072 ( -2.293 -1.080 2.810) 3.784 2.269 ( -0.857 -0.191 -0.849) 1.221 2.358 ( 1.288 4.015 0.163) 4.220 2.451 ( -1.045 -0.137 -0.959) 1.425 2.550 ( -1.198 -1.779 0.840) 2.304 3.331 ( 0.260 2.235 1.665) 2.799 3.569 ( -2.112 0.075 -1.598) 2.650 3.824 ( -0.544 2.249 1.257) 2.634 4.099 ( -2.452 3.096 -0.841) 4.038 4.670 ( -5.650 8.441 12.108) 15.805 5.054 ( 1.243 2.297 9.175) 9.540 5.657 ( 5.770 5.176 -11.109) 13.546 6.043 ( -1.138 -4.145 -4.398) 6.150 7.208 ( -0.098 -4.772 1.339) 4.958 7.541 ( -1.632 -4.073 0.830) 4.466 7.703 ( 2.486 4.330 -0.438) 5.012 8.051 ( 0.927 4.933 -2.585) 5.646 8.258 ( -0.535 3.075 1.949) 3.680 8.374 ( -0.593 -0.729 -0.387) 1.016 8.570 ( -0.426 -1.293 -0.386) 1.415 8.706 ( 1.309 -1.759 -4.569) 5.068 11.910 ( 1.052 3.366 2.072) 4.090 12.180 ( -0.022 4.130 -0.655) 4.182 12.677 ( -0.280 -5.295 0.095) 5.304 12.761 ( -1.050 -3.836 0.341) 3.991 12.905 ( -1.373 -0.166 1.230) 1.851 13.015 ( 1.710 0.341 -1.668) 2.413 13.117 ( 0.035 -1.218 -1.893) 2.251 13.230 ( 1.913 -0.204 -2.374) 3.055 13.686 ( -3.634 0.022 5.855) 6.891 14.055 ( 0.709 0.764 -3.200) 3.365 ======================= Grid point 225 (112/192) ======================= q-point: ( 0.00 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 2.794 7.579 12.053) 14.509 1.559 ( -1.150 7.280 3.094) 7.994 1.661 ( 6.097 2.688 -2.774) 7.218 1.768 ( -5.169 2.696 -1.014) 5.917 2.052 ( 0.830 2.668 4.196) 5.042 2.092 ( 1.348 4.416 -1.354) 4.811 2.224 ( -1.996 -1.273 -2.975) 3.802 2.328 ( -3.647 -1.245 -2.042) 4.361 2.520 ( 1.904 3.436 2.114) 4.461 2.526 ( -0.403 -1.067 2.431) 2.686 3.383 ( 3.087 1.731 -4.149) 5.453 3.569 ( 1.928 1.857 -4.551) 5.280 3.876 ( -0.492 2.635 0.721) 2.775 4.095 ( 2.972 -0.192 -6.430) 7.086 4.892 ( -9.770 13.588 19.413) 25.631 5.228 ( 2.806 1.604 12.282) 12.701 5.804 ( 4.206 4.504 -7.744) 9.897 5.866 ( -3.223 -1.231 -7.432) 8.194 7.140 ( -0.699 -2.646 3.964) 4.817 7.422 ( -1.310 -5.862 2.859) 6.652 7.798 ( 1.254 3.305 -2.786) 4.501 8.097 ( 2.005 -0.150 -4.227) 4.681 8.314 ( -1.509 2.474 0.318) 2.916 8.385 ( 1.628 2.541 -1.091) 3.209 8.519 ( -2.048 -1.613 0.223) 2.617 8.654 ( 0.878 -1.645 -3.001) 3.533 12.024 ( 0.715 3.654 3.452) 5.077 12.238 ( -0.508 4.552 -2.599) 5.266 12.548 ( -0.378 -8.000 1.312) 8.116 12.650 ( 0.560 -4.809 -1.223) 4.994 12.889 ( -0.895 -0.219 1.039) 1.389 12.980 ( 0.403 -2.822 -1.607) 3.272 13.158 ( 2.207 2.619 0.102) 3.426 13.264 ( 1.636 1.647 -2.351) 3.304 13.691 ( -3.279 2.131 5.269) 6.561 14.011 ( -0.347 -2.456 -3.919) 4.638 ======================= Grid point 226 (113/192) ======================= q-point: ( 0.11 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 0.389 5.511 6.528) 8.552 1.514 ( -3.525 3.875 2.151) 5.663 1.684 ( -1.976 1.711 0.907) 2.766 1.781 ( 5.908 1.538 -1.445) 6.274 2.098 ( 0.557 5.148 -0.858) 5.249 2.117 ( -0.739 1.181 0.813) 1.613 2.134 ( -1.024 1.066 -1.718) 2.267 2.270 ( -1.773 -0.575 -0.828) 2.040 2.509 ( -2.110 -0.374 0.931) 2.336 2.570 ( 0.634 0.681 2.142) 2.335 3.401 ( 3.557 1.910 -6.176) 7.378 3.566 ( 0.146 3.141 -1.595) 3.526 3.886 ( 1.446 0.010 -0.580) 1.558 4.111 ( 4.118 -0.730 -6.453) 7.690 4.857 ( -10.687 13.772 19.043) 25.817 5.387 ( 2.770 -0.783 13.339) 13.646 5.650 ( -7.587 1.750 -8.824) 11.768 5.896 ( 7.382 3.663 -7.269) 10.988 7.164 ( -0.617 -1.465 4.553) 4.822 7.440 ( 1.570 -4.283 1.081) 4.688 7.775 ( -1.997 3.095 -0.868) 3.785 8.093 ( 1.625 0.616 -5.581) 5.845 8.308 ( 0.170 1.358 0.731) 1.552 8.409 ( 2.308 2.908 -1.652) 4.064 8.487 ( -1.380 -1.582 0.927) 2.295 8.658 ( 1.696 -0.684 -2.058) 2.753 12.055 ( -0.619 2.865 2.974) 4.176 12.223 ( 1.446 5.455 -2.497) 6.171 12.545 ( -0.751 -7.844 0.794) 7.920 12.680 ( 3.355 -4.574 -0.872) 5.739 12.887 ( -0.303 -0.412 1.274) 1.373 12.978 ( 0.685 -2.398 -1.439) 2.880 13.194 ( 1.481 3.261 0.364) 3.600 13.256 ( 0.338 2.589 -4.288) 5.020 13.681 ( -3.176 1.494 6.636) 7.507 13.982 ( 0.680 -2.933 -3.475) 4.598 ======================= Grid point 227 (114/192) ======================= q-point: ( 0.22 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -2.383 5.247 -3.304) 6.643 1.500 ( -0.754 1.146 3.271) 3.547 1.712 ( 1.780 0.700 2.240) 2.945 1.851 ( 2.296 -2.182 0.555) 3.216 2.014 ( -2.805 0.774 -4.763) 5.581 2.081 ( -1.014 4.167 -1.774) 4.641 2.208 ( 3.006 2.536 2.275) 4.544 2.245 ( -0.578 0.419 0.015) 0.714 2.469 ( -2.493 -1.581 -0.268) 2.965 2.576 ( -1.277 -1.083 1.459) 2.221 3.422 ( 4.354 1.840 -6.196) 7.793 3.548 ( -1.691 2.948 1.512) 3.720 3.905 ( 1.135 -2.233 -1.827) 3.100 4.134 ( 4.635 -2.823 -7.824) 9.521 4.816 ( -10.208 13.181 18.885) 25.191 5.467 ( -4.324 5.824 -6.068) 9.458 5.516 ( -1.092 -4.237 12.347) 13.100 5.963 ( 6.375 3.214 -8.397) 11.022 7.184 ( -1.374 0.312 4.747) 4.952 7.489 ( 3.740 -0.653 -1.741) 4.177 7.731 ( -3.117 0.786 2.751) 4.231 8.065 ( 0.933 0.651 -6.821) 6.915 8.317 ( 0.139 1.357 -0.139) 1.371 8.441 ( 2.321 2.684 -1.815) 3.986 8.496 ( 1.243 -0.289 1.829) 2.230 8.678 ( 1.672 0.657 -0.925) 2.021 12.052 ( -1.323 4.501 1.926) 5.072 12.244 ( 2.417 5.431 -2.077) 6.296 12.542 ( -0.232 -6.978 0.861) 7.034 12.739 ( 3.648 -4.581 -1.053) 5.950 12.901 ( 0.528 -0.820 1.711) 1.970 12.979 ( 0.613 -2.199 -1.280) 2.617 13.210 ( -0.091 3.664 -3.304) 4.934 13.217 ( 0.220 2.911 -2.332) 3.737 13.679 ( -2.960 1.513 7.061) 7.804 13.986 ( 1.922 -2.902 -1.848) 3.941 ======================= Grid point 228 (115/192) ======================= q-point: ( 0.33 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 0.544 1.085 -5.328) 5.465 1.523 ( 1.210 -1.790 0.116) 2.164 1.736 ( -0.260 2.290 0.272) 2.320 1.859 ( -0.535 -0.313 -1.352) 1.487 1.992 ( 1.884 0.781 1.008) 2.275 2.048 ( -0.642 1.856 -2.045) 2.835 2.229 ( -0.037 0.741 -0.510) 0.900 2.273 ( 1.710 0.238 0.570) 1.818 2.414 ( -3.043 -3.404 -0.546) 4.598 2.560 ( -0.845 -1.479 0.085) 1.705 3.448 ( 1.342 2.431 -2.201) 3.543 3.555 ( 2.031 0.988 1.625) 2.782 3.886 ( -1.754 -3.125 -1.328) 3.822 4.155 ( 5.616 -5.403 -10.350) 12.956 4.795 ( -8.715 12.734 19.410) 24.797 5.396 ( 0.578 5.778 -2.381) 6.276 5.552 ( -5.568 -3.768 10.855) 12.769 5.984 ( 4.152 2.990 -10.367) 11.561 7.190 ( -2.035 1.732 4.674) 5.384 7.537 ( 4.229 4.193 -4.349) 7.374 7.713 ( -2.943 -3.179 6.136) 7.511 8.032 ( 1.520 0.812 -6.609) 6.830 8.306 ( -0.528 1.816 -1.511) 2.420 8.452 ( 0.798 0.505 -2.587) 2.754 8.553 ( 2.835 2.487 2.046) 4.291 8.697 ( 0.749 1.783 -0.424) 1.980 12.049 ( -0.707 6.204 2.151) 6.604 12.266 ( 1.933 5.888 -2.687) 6.755 12.551 ( 0.139 -6.319 1.677) 6.539 12.785 ( 2.428 -4.026 -1.588) 4.963 12.929 ( 0.856 -1.419 1.728) 2.395 12.976 ( -0.001 -1.857 -1.332) 2.285 13.164 ( 0.147 3.024 -5.205) 6.021 13.213 ( -0.099 2.628 -1.119) 2.858 13.691 ( -2.000 2.139 7.667) 8.207 14.012 ( 1.890 -2.302 -0.998) 3.141 ======================= Grid point 229 (116/192) ======================= q-point: (-0.56 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 3.536 -3.454 -3.524) 6.070 1.515 ( -1.583 -3.727 -2.412) 4.713 1.728 ( -0.600 4.016 0.261) 4.068 1.845 ( 0.810 0.904 -3.447) 3.655 2.032 ( 0.271 0.594 -0.760) 1.002 2.046 ( 1.739 -0.373 2.283) 2.894 2.234 ( 0.684 1.679 1.119) 2.131 2.270 ( -1.275 -2.971 -1.268) 3.473 2.381 ( 0.556 -3.548 -1.225) 3.794 2.545 ( -0.289 -1.016 -1.824) 2.108 3.435 ( -2.632 2.362 2.857) 4.547 3.645 ( 6.414 -0.420 -0.333) 6.436 3.829 ( -3.506 -2.647 -0.295) 4.403 4.174 ( 6.418 -7.148 -12.233) 15.555 4.810 ( -7.130 12.888 20.323) 25.099 5.432 ( 0.302 -0.863 3.904) 4.009 5.500 ( -5.247 3.113 6.077) 8.611 5.950 ( 2.137 2.705 -12.209) 12.686 7.187 ( -2.302 2.215 4.610) 5.609 7.582 ( 4.781 6.937 -4.675) 9.635 7.705 ( -3.911 -4.949 6.550) 9.093 8.017 ( 2.227 1.799 -5.834) 6.498 8.283 ( -0.242 1.478 -1.598) 2.190 8.429 ( -0.395 -0.871 -3.870) 3.987 8.616 ( 2.302 3.018 1.603) 4.120 8.695 ( -0.593 2.459 -0.290) 2.546 12.058 ( -0.702 6.298 2.809) 6.932 12.271 ( 1.465 6.892 -3.496) 7.866 12.572 ( 0.216 -5.661 2.663) 6.260 12.800 ( 0.847 -3.131 -2.062) 3.843 12.950 ( -0.263 -1.488 1.196) 1.927 12.959 ( -0.037 -1.314 -1.691) 2.141 13.142 ( 1.258 2.141 -3.771) 4.515 13.198 ( -0.181 1.023 -1.762) 2.045 13.725 ( -1.444 2.894 8.192) 8.807 14.032 ( 1.280 -1.538 -1.246) 2.357 ======================= Grid point 230 (117/192) ======================= q-point: (-0.44 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -3.452 -5.329 -0.963) 6.422 1.467 ( 1.396 -3.528 -2.706) 4.660 1.684 ( -4.337 5.260 -0.883) 6.875 1.836 ( 2.260 -0.877 -4.189) 4.840 2.050 ( 1.139 0.557 0.703) 1.450 2.081 ( 1.024 0.815 0.979) 1.634 2.249 ( 0.117 -3.003 -0.523) 3.051 2.282 ( 2.393 2.300 3.313) 4.690 2.394 ( 2.448 -4.287 -3.023) 5.789 2.517 ( -0.474 -0.638 -3.420) 3.511 3.406 ( -3.443 1.783 4.015) 5.581 3.732 ( 0.190 -1.822 -1.138) 2.156 3.787 ( 2.559 -0.648 -0.570) 2.700 4.189 ( 5.714 -7.194 -12.221) 15.289 4.851 ( -6.654 13.480 20.775) 25.643 5.333 ( -11.884 -1.329 7.276) 13.998 5.595 ( 7.528 3.677 3.266) 8.993 5.879 ( 1.331 2.589 -12.775) 13.102 7.180 ( -2.341 1.689 4.400) 5.263 7.628 ( 1.647 3.861 -0.957) 4.305 7.673 ( -2.223 -0.998 1.236) 2.733 8.022 ( 2.926 2.560 -4.072) 5.630 8.282 ( 0.747 1.214 -0.232) 1.444 8.386 ( -0.178 -2.386 -4.393) 5.002 8.653 ( 0.061 2.651 0.612) 2.721 8.676 ( -0.710 2.027 0.037) 2.148 12.059 ( -1.761 5.368 2.638) 6.235 12.268 ( 1.371 7.484 -3.338) 8.309 12.596 ( -0.276 -5.198 3.055) 6.036 12.783 ( -0.652 -2.525 -2.450) 3.579 12.934 ( -0.884 -0.615 -0.120) 1.083 12.962 ( 0.552 -1.563 -0.456) 1.719 13.137 ( 0.642 0.917 -2.986) 3.189 13.186 ( 0.692 -0.151 -1.802) 1.936 13.758 ( -2.084 3.316 7.680) 8.621 14.042 ( 1.206 -0.958 -1.588) 2.213 ======================= Grid point 231 (118/192) ======================= q-point: (-0.33 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -8.073 -2.167 -1.761) 8.542 1.464 ( -2.482 1.994 -0.804) 3.284 1.637 ( 1.100 3.883 0.393) 4.055 1.856 ( 2.371 -0.892 -2.293) 3.417 2.060 ( -0.064 1.101 -0.686) 1.298 2.101 ( 0.366 1.470 -0.027) 1.516 2.255 ( 0.102 -2.184 0.600) 2.267 2.360 ( 2.796 2.496 3.757) 5.306 2.419 ( 2.666 -3.148 -3.568) 5.455 2.484 ( 0.329 -2.087 -3.109) 3.759 3.376 ( -2.693 1.434 2.630) 4.028 3.677 ( -2.628 -1.724 -2.238) 3.858 3.857 ( 3.903 0.730 -1.844) 4.378 4.183 ( 3.452 -5.540 -10.426) 12.301 4.887 ( -7.526 13.828 19.953) 25.416 5.182 ( -10.295 2.292 7.364) 12.863 5.757 ( 6.380 1.421 -0.926) 6.601 5.821 ( 3.697 1.431 -7.570) 8.546 7.170 ( -2.527 0.382 3.831) 4.605 7.577 ( -7.088 -3.849 5.443) 9.730 7.694 ( 5.485 5.662 -7.404) 10.815 8.062 ( 3.644 2.023 -1.850) 4.561 8.283 ( 0.023 1.678 -0.924) 1.915 8.380 ( 1.878 -2.149 -1.437) 3.195 8.618 ( -2.779 2.255 -0.094) 3.580 8.684 ( 0.602 0.152 -0.224) 0.660 12.034 ( -2.659 5.273 1.640) 6.129 12.271 ( 1.256 6.704 -2.139) 7.149 12.603 ( -1.533 -5.564 2.440) 6.266 12.744 ( -1.460 -2.941 -2.185) 3.944 12.921 ( -0.790 -0.682 0.641) 1.225 12.972 ( 0.963 -1.218 -0.413) 1.607 13.116 ( 0.004 -0.412 -3.063) 3.091 13.194 ( 1.480 0.193 -1.528) 2.136 13.766 ( -3.131 3.373 6.074) 7.621 14.053 ( 1.353 -0.805 -1.600) 2.245 ======================= Grid point 232 (119/192) ======================= q-point: (-0.22 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -2.948 7.040 2.597) 8.062 1.416 ( -1.574 7.147 1.571) 7.485 1.676 ( 1.379 2.175 0.197) 2.582 1.875 ( 0.971 -0.171 -1.150) 1.515 2.042 ( -1.051 2.084 -0.629) 2.417 2.094 ( -0.389 1.592 -0.882) 1.861 2.256 ( -0.272 -1.804 0.286) 1.847 2.418 ( 1.542 1.569 -4.447) 4.962 2.434 ( 1.854 1.717 3.243) 4.111 2.489 ( 0.621 -4.548 0.246) 4.597 3.356 ( -0.580 1.354 0.182) 1.484 3.617 ( -1.082 -0.985 -4.079) 4.334 3.888 ( 1.193 2.507 -1.591) 3.199 4.150 ( 1.293 -3.086 -8.157) 8.817 4.896 ( -7.945 13.069 18.462) 23.974 5.100 ( -5.858 4.177 9.401) 11.838 5.758 ( 3.471 4.918 -9.563) 11.300 5.926 ( 5.372 -3.444 0.233) 6.386 7.150 ( -2.656 -1.219 3.261) 4.379 7.496 ( -5.777 -4.646 4.342) 8.592 7.736 ( 4.995 3.950 -6.035) 8.773 8.096 ( 1.902 -0.078 -3.059) 3.602 8.299 ( 2.019 3.228 0.451) 3.834 8.397 ( -0.005 0.188 -0.253) 0.315 8.570 ( -2.085 0.516 -0.131) 2.152 8.686 ( 0.236 -1.265 -1.328) 1.849 12.001 ( -2.087 5.579 1.538) 6.152 12.275 ( 0.653 5.281 -1.497) 5.527 12.580 ( -2.384 -6.345 1.237) 6.891 12.703 ( -1.519 -4.274 -1.222) 4.698 12.912 ( -1.044 -0.566 1.013) 1.561 12.987 ( 0.789 -1.919 -0.515) 2.138 13.100 ( 1.030 0.158 -2.508) 2.716 13.214 ( 1.888 0.598 -1.264) 2.350 13.746 ( -3.546 3.226 4.580) 6.630 14.059 ( 0.790 -1.166 -2.048) 2.485 ======================= Grid point 233 (120/192) ======================= q-point: (-0.11 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 2.254 11.267 10.023) 15.247 1.460 ( 4.770 8.745 2.424) 10.252 1.669 ( -1.544 2.471 -1.071) 3.104 1.855 ( -2.621 1.049 -1.193) 3.065 2.026 ( -0.719 2.112 1.838) 2.891 2.084 ( 0.614 2.873 -1.607) 3.349 2.252 ( -0.292 -1.284 -0.372) 1.368 2.404 ( -0.712 -0.683 -3.854) 3.978 2.468 ( 1.248 2.570 0.903) 2.996 2.509 ( -0.132 -1.224 3.835) 4.027 3.361 ( 1.813 1.452 -2.021) 3.079 3.579 ( 1.019 0.257 -5.232) 5.336 3.885 ( -0.552 3.683 0.004) 3.724 4.110 ( 1.260 -1.150 -6.926) 7.132 4.900 ( -8.084 12.746 18.935) 24.215 5.117 ( -1.088 3.776 10.752) 11.448 5.765 ( 5.074 5.509 -8.161) 11.077 5.963 ( -0.118 -3.707 -4.027) 5.475 7.133 ( -1.827 -2.483 3.360) 4.560 7.442 ( -3.714 -5.715 3.803) 7.805 7.777 ( 3.891 3.187 -4.263) 6.593 8.096 ( 1.528 -0.870 -3.766) 4.156 8.336 ( 0.514 4.322 0.346) 4.366 8.376 ( -0.840 1.371 -0.522) 1.691 8.544 ( -1.072 -1.213 0.110) 1.623 8.671 ( 0.006 -1.831 -2.617) 3.194 11.994 ( -0.348 5.032 2.539) 5.647 12.266 ( -0.302 4.364 -1.886) 4.763 12.551 ( -1.390 -7.120 1.028) 7.327 12.669 ( -1.248 -5.204 -0.972) 5.439 12.900 ( -1.128 -0.294 1.040) 1.563 12.987 ( 0.201 -2.970 -1.339) 3.264 13.118 ( 2.284 1.725 -0.948) 3.015 13.241 ( 2.150 0.954 -1.259) 2.668 13.716 ( -3.501 2.840 4.209) 6.167 14.045 ( -0.100 -1.807 -3.086) 3.577 ======================= Grid point 234 (121/192) ======================= q-point: ( 0.00 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 1.072 7.439 5.353) 9.227 1.661 ( -3.932 2.554 -0.112) 4.691 1.679 ( 5.728 0.028 -0.874) 5.794 1.779 ( -2.877 -1.340 -1.746) 3.622 2.104 ( 1.303 2.390 5.359) 6.010 2.164 ( 2.033 0.555 0.475) 2.160 2.211 ( -2.529 1.490 -2.245) 3.695 2.302 ( -2.764 -1.613 -0.230) 3.208 2.523 ( -1.391 1.082 3.468) 3.890 2.570 ( -0.205 1.144 2.381) 2.650 3.439 ( 5.516 3.916 -8.348) 10.745 3.580 ( 5.399 -1.127 -8.355) 10.011 3.947 ( -1.366 4.245 -0.761) 4.524 4.078 ( 2.866 -1.562 -6.090) 6.909 5.134 ( -7.729 9.481 18.335) 22.041 5.257 ( -0.632 1.006 13.351) 13.404 5.839 ( -3.399 0.586 -6.302) 7.184 5.880 ( 3.863 1.048 -5.721) 6.983 7.124 ( -0.962 1.200 5.669) 5.874 7.299 ( -1.683 -6.187 4.987) 8.123 7.865 ( 3.351 3.576 -6.187) 7.893 8.042 ( 3.704 -4.501 -6.283) 8.571 8.366 ( -2.665 2.782 0.635) 3.904 8.464 ( 1.602 4.525 -0.521) 4.828 8.479 ( -2.626 -2.308 0.558) 3.541 8.616 ( 1.055 -2.405 -1.725) 3.142 12.113 ( -0.630 5.282 3.072) 6.143 12.332 ( 0.213 4.558 -2.696) 5.300 12.387 ( -0.548 -7.551 1.636) 7.746 12.548 ( 1.626 -5.361 -2.379) 6.086 12.887 ( -0.713 0.079 0.714) 1.012 12.926 ( 0.238 -2.211 -0.448) 2.269 13.216 ( 2.440 3.018 0.513) 3.915 13.286 ( 1.955 0.240 -0.804) 2.128 13.753 ( -2.994 3.983 2.353) 5.511 13.941 ( -1.330 -4.424 -2.816) 5.410 ======================= Grid point 235 (122/192) ======================= q-point: ( 0.11 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -1.666 3.161 4.551) 5.786 1.584 ( -4.386 1.926 -0.620) 4.830 1.710 ( 0.251 0.921 -0.880) 1.298 1.775 ( 2.622 -1.595 -0.545) 3.117 2.110 ( -4.826 0.627 -2.309) 5.387 2.160 ( -0.561 0.898 3.167) 3.339 2.209 ( 1.682 2.819 1.183) 3.489 2.274 ( 0.629 0.878 -0.687) 1.280 2.501 ( -3.534 0.308 2.308) 4.232 2.570 ( -2.208 -0.938 2.778) 3.670 3.469 ( 5.553 4.660 -9.468) 11.925 3.611 ( 3.957 0.319 -6.225) 7.383 3.909 ( -1.355 2.967 -1.937) 3.794 4.077 ( 2.062 -2.827 -5.893) 6.854 5.115 ( -9.996 11.028 17.654) 23.091 5.358 ( -1.011 -2.434 13.726) 13.977 5.709 ( -4.189 4.557 -6.653) 9.087 5.915 ( 4.709 -2.042 -5.314) 7.388 7.170 ( 0.604 2.018 5.874) 6.240 7.340 ( 1.893 -5.411 4.442) 7.252 7.850 ( 0.326 4.428 -6.196) 7.622 8.048 ( 2.782 -4.347 -7.839) 9.386 8.343 ( -0.486 2.096 1.085) 2.410 8.444 ( -1.778 -2.498 1.788) 3.550 8.496 ( 2.781 4.924 -0.912) 5.728 8.637 ( 2.385 -1.659 -1.058) 3.092 12.129 ( -0.388 4.605 2.966) 5.491 12.330 ( 1.581 3.687 -1.548) 4.300 12.396 ( 0.598 -5.406 0.077) 5.440 12.579 ( 3.623 -5.434 -2.231) 6.902 12.884 ( -0.281 0.193 0.850) 0.916 12.930 ( 0.527 -2.145 -0.440) 2.252 13.259 ( 1.748 2.978 0.234) 3.461 13.299 ( 0.874 1.402 -2.790) 3.242 13.726 ( -2.604 3.166 3.991) 5.721 13.905 ( -0.229 -4.664 -1.993) 5.077 ======================= Grid point 236 (123/192) ======================= q-point: ( 0.22 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -4.620 1.198 -1.022) 4.881 1.505 ( -2.741 -0.220 -0.236) 2.760 1.739 ( 2.358 1.774 0.517) 2.995 1.810 ( 1.418 -1.790 0.420) 2.322 2.021 ( -2.794 1.339 -1.317) 3.366 2.130 ( -3.024 -1.069 0.819) 3.310 2.254 ( 1.824 2.513 0.464) 3.139 2.292 ( 1.100 2.902 -1.083) 3.287 2.438 ( -4.745 -0.597 1.234) 4.939 2.539 ( -3.238 -2.713 2.810) 5.074 3.496 ( 5.752 5.069 -8.908) 11.753 3.615 ( 0.417 2.440 -2.666) 3.638 3.871 ( -0.405 0.008 -3.944) 3.965 4.057 ( 1.599 -5.050 -7.146) 8.895 5.065 ( -9.926 11.173 16.537) 22.289 5.400 ( -5.355 -6.472 10.328) 13.313 5.628 ( -0.242 9.329 -1.991) 9.542 5.957 ( 4.164 -3.879 -5.090) 7.635 7.225 ( 0.261 3.718 5.591) 6.720 7.428 ( 3.674 -4.911 4.135) 7.397 7.791 ( -1.125 4.950 -5.672) 7.612 8.019 ( 1.710 -4.588 -8.709) 9.990 8.354 ( 0.476 2.119 0.465) 2.221 8.443 ( -0.069 -1.942 1.268) 2.320 8.553 ( 3.806 4.922 -0.017) 6.222 8.679 ( 2.685 -0.803 -0.487) 2.844 12.147 ( -0.162 5.118 2.850) 5.860 12.362 ( 2.915 4.125 -0.965) 5.142 12.406 ( 0.705 -4.501 -0.700) 4.609 12.634 ( 4.119 -5.885 -2.288) 7.539 12.892 ( 0.294 0.037 1.076) 1.116 12.936 ( 0.414 -2.011 -0.428) 2.097 13.270 ( -0.092 2.388 -3.948) 4.615 13.279 ( 0.430 2.574 -2.058) 3.324 13.724 ( -1.767 3.186 5.506) 6.602 13.908 ( 1.298 -4.739 0.249) 4.920 ======================= Grid point 237 (124/192) ======================= q-point: ( 0.33 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -3.343 0.621 -4.869) 5.938 1.465 ( -1.697 -3.607 -1.140) 4.147 1.773 ( 1.425 1.776 -1.274) 2.609 1.840 ( 0.819 -1.034 1.819) 2.247 1.997 ( 0.384 0.785 0.493) 1.003 2.090 ( -1.610 -0.224 0.301) 1.653 2.268 ( 0.317 1.808 -2.788) 3.338 2.286 ( -0.762 1.356 -0.595) 1.665 2.362 ( -3.890 -0.331 1.559) 4.204 2.513 ( -1.661 -3.447 2.190) 4.408 3.538 ( 5.415 5.634 -7.265) 10.670 3.596 ( -0.821 2.941 1.163) 3.268 3.829 ( -0.821 -1.790 -3.757) 4.242 4.028 ( 3.042 -7.400 -10.340) 13.074 5.033 ( -8.006 10.619 16.726) 21.369 5.363 ( -5.695 -6.489 8.345) 12.008 5.638 ( 0.437 9.658 1.405) 9.769 5.973 ( 2.290 -4.106 -6.165) 7.753 7.261 ( -1.072 5.276 5.184) 7.474 7.523 ( 2.448 -5.720 4.852) 7.891 7.735 ( 0.313 5.794 -5.537) 8.020 7.990 ( 2.690 -4.542 -7.889) 9.492 8.355 ( -0.282 2.703 -0.929) 2.872 8.444 ( -0.399 -1.312 -0.714) 1.546 8.624 ( 3.392 4.143 0.639) 5.392 8.717 ( 1.745 0.084 -0.524) 1.824 12.166 ( -0.304 5.737 2.850) 6.413 12.399 ( 1.868 4.051 -4.296) 6.193 12.425 ( 1.839 -3.248 2.833) 4.686 12.685 ( 3.400 -5.853 -2.282) 7.144 12.908 ( 0.409 -0.533 0.999) 1.204 12.937 ( 0.046 -1.794 -0.383) 1.835 13.226 ( -0.155 2.828 -5.211) 5.931 13.261 ( -0.432 1.658 -2.859) 3.333 13.751 ( -0.697 3.921 6.683) 7.779 13.944 ( 1.542 -4.395 1.531) 4.903 ======================= Grid point 238 (125/192) ======================= q-point: (-0.56 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 0.396 -1.616 -4.494) 4.792 1.414 ( -2.015 -5.802 -3.262) 6.954 1.778 ( 0.515 1.992 -1.341) 2.456 1.853 ( -0.685 -0.593 0.130) 0.915 2.028 ( 1.817 0.313 1.327) 2.271 2.079 ( 0.192 1.076 0.071) 1.095 2.226 ( -1.181 -0.676 -3.060) 3.348 2.274 ( 0.031 0.426 0.641) 0.770 2.344 ( 0.045 1.351 0.740) 1.541 2.507 ( -0.600 -3.084 0.908) 3.270 3.531 ( -1.631 6.729 -1.125) 7.015 3.649 ( 5.018 0.643 -0.759) 5.115 3.784 ( -1.063 -1.274 -2.672) 3.145 4.012 ( 5.791 -9.043 -13.310) 17.102 5.044 ( -6.078 10.076 17.943) 21.457 5.337 ( -5.807 -5.778 10.387) 13.228 5.653 ( 0.794 8.996 0.181) 9.033 5.942 ( 0.679 -3.437 -8.008) 8.741 7.269 ( -2.496 5.928 5.064) 8.186 7.571 ( -2.498 -7.710 6.210) 10.210 7.733 ( 4.888 7.768 -6.207) 11.080 7.996 ( 4.283 -3.769 -6.738) 8.829 8.329 ( -1.119 2.752 -1.663) 3.404 8.412 ( -1.705 -1.086 -2.558) 3.261 8.677 ( 1.732 2.926 0.610) 3.455 8.730 ( 0.069 0.797 -0.616) 1.010 12.176 ( -1.074 5.804 2.720) 6.499 12.385 ( 0.316 0.493 -3.172) 3.226 12.488 ( 2.302 0.909 2.255) 3.348 12.716 ( 1.916 -5.157 -2.273) 5.953 12.919 ( 0.029 -1.144 0.771) 1.380 12.931 ( -0.328 -1.405 -0.442) 1.509 13.191 ( 0.640 2.406 -4.522) 5.162 13.224 ( -0.617 1.090 -3.545) 3.760 13.797 ( -0.494 4.301 7.091) 8.308 13.979 ( 0.941 -3.681 1.439) 4.062 ======================= Grid point 239 (126/192) ======================= q-point: (-0.44 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -0.981 -2.663 -2.583) 3.837 1.374 ( 2.717 -5.357 -3.857) 7.138 1.767 ( -1.503 2.789 -0.216) 3.176 1.829 ( -0.224 -0.205 -1.254) 1.291 2.068 ( 1.515 1.190 -0.059) 1.928 2.097 ( 1.283 0.434 0.998) 1.682 2.207 ( 1.018 -0.698 -1.559) 1.989 2.290 ( 1.566 -3.171 -1.286) 3.763 2.364 ( 1.211 3.196 2.079) 4.000 2.501 ( -0.288 -1.582 -0.314) 1.638 3.486 ( -2.379 5.985 -0.683) 6.477 3.687 ( -1.805 -2.768 -0.080) 3.306 3.793 ( 6.038 1.489 -4.370) 7.601 4.026 ( 7.069 -8.755 -12.927) 17.139 5.087 ( -5.730 9.513 18.918) 21.937 5.297 ( -8.186 -2.376 10.819) 13.774 5.690 ( 3.723 5.644 -0.100) 6.762 5.884 ( 0.840 -2.072 -9.009) 9.282 7.253 ( -3.714 5.540 5.165) 8.436 7.541 ( -5.533 -7.089 5.850) 10.728 7.788 ( 5.888 7.415 -7.055) 11.807 8.027 ( 4.474 -2.458 -6.246) 8.066 8.311 ( 0.454 1.442 0.132) 1.517 8.352 ( -1.910 -0.907 -2.904) 3.592 8.694 ( -0.247 1.562 0.245) 1.601 8.710 ( -1.708 1.126 -0.460) 2.096 12.169 ( -1.946 5.717 2.495) 6.535 12.366 ( 0.056 -0.065 -2.325) 2.327 12.531 ( 0.350 0.914 1.888) 2.127 12.714 ( -0.106 -4.351 -2.674) 5.108 12.916 ( -0.889 -0.882 0.641) 1.407 12.928 ( 0.377 -1.524 -0.148) 1.577 13.168 ( 0.056 1.811 -3.904) 4.304 13.195 ( 0.764 0.603 -3.104) 3.253 13.836 ( -1.321 4.337 6.377) 7.824 14.002 ( 0.556 -3.044 0.886) 3.219 ======================= Grid point 240 (127/192) ======================= q-point: (-0.33 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 0.371 2.865 -2.063) 3.550 1.435 ( 4.727 -4.100 -1.679) 6.478 1.732 ( -1.367 4.460 0.235) 4.670 1.838 ( 1.103 -1.158 0.099) 1.602 2.080 ( 0.146 1.285 -0.356) 1.341 2.120 ( 0.289 0.217 0.098) 0.374 2.223 ( 1.197 -0.754 -0.747) 1.600 2.312 ( 2.917 -5.320 -2.172) 6.445 2.418 ( 1.634 3.125 3.960) 5.303 2.494 ( 0.214 0.771 -1.002) 1.282 3.439 ( -1.176 4.904 -2.629) 5.687 3.633 ( -1.772 -2.965 -3.447) 4.880 3.875 ( 6.075 1.512 -4.460) 7.687 4.055 ( 5.902 -6.804 -10.102) 13.534 5.120 ( -7.187 8.647 18.129) 21.332 5.222 ( -8.491 1.462 10.121) 13.292 5.781 ( 5.560 1.603 0.506) 5.809 5.845 ( 2.471 0.194 -7.870) 8.251 7.217 ( -4.783 4.420 5.148) 8.301 7.473 ( -7.060 -6.370 5.924) 11.204 7.813 ( 4.422 6.322 -9.707) 12.400 8.049 ( 3.143 -3.497 -6.560) 8.071 8.320 ( 0.689 1.816 0.428) 1.989 8.357 ( 2.646 -0.158 1.731) 3.166 8.655 ( -3.293 1.332 -0.615) 3.605 8.682 ( -1.419 -0.311 -0.089) 1.455 12.148 ( -2.459 6.012 2.339) 6.904 12.353 ( 0.180 -0.316 -1.460) 1.505 12.524 ( -2.359 -0.395 1.097) 2.631 12.672 ( -1.815 -4.180 -3.174) 5.553 12.907 ( -0.690 -0.523 0.793) 1.174 12.935 ( 0.256 -1.942 0.234) 1.972 13.139 ( 0.324 2.142 -3.234) 3.892 13.198 ( 1.597 -0.133 -2.071) 2.618 13.846 ( -2.360 4.524 4.670) 6.917 14.014 ( 0.288 -3.005 0.263) 3.030 ======================= Grid point 241 (128/192) ======================= q-point: (-0.22 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 4.961 8.573 0.757) 9.934 1.493 ( 2.986 0.286 -0.687) 3.077 1.731 ( 0.389 3.261 0.331) 3.301 1.856 ( 0.287 -2.006 0.534) 2.096 2.068 ( -1.672 1.075 1.193) 2.319 2.116 ( -0.053 -0.220 -0.555) 0.599 2.234 ( 1.128 0.149 -1.300) 1.727 2.352 ( 1.851 -5.194 -0.549) 5.541 2.471 ( 0.633 2.219 3.552) 4.235 2.504 ( 1.539 2.580 0.383) 3.029 3.408 ( 1.281 4.012 -5.004) 6.540 3.581 ( 0.791 -2.800 -6.687) 7.293 3.934 ( 4.104 2.370 -3.994) 6.198 4.074 ( 3.783 -4.227 -7.393) 9.319 5.111 ( -7.586 7.666 15.044) 18.511 5.179 ( -6.105 3.240 12.725) 14.481 5.843 ( 3.467 2.992 -6.043) 7.582 5.878 ( 4.245 -1.195 -0.838) 4.489 7.165 ( -5.151 2.977 5.018) 7.783 7.388 ( -7.007 -6.076 5.637) 10.854 7.817 ( 4.574 4.519 -8.860) 10.948 8.037 ( 2.041 -5.115 -7.006) 8.911 8.370 ( 2.872 3.484 2.017) 4.945 8.413 ( 1.228 1.057 1.839) 2.451 8.584 ( -3.622 0.834 -0.824) 3.807 8.652 ( -1.423 -2.095 -0.591) 2.600 12.122 ( -2.319 6.505 2.437) 7.323 12.349 ( 0.432 0.069 -1.139) 1.220 12.470 ( -3.946 -2.445 0.555) 4.675 12.609 ( -2.017 -4.914 -3.074) 6.137 12.902 ( -0.672 -0.273 0.887) 1.146 12.937 ( -0.244 -2.296 0.027) 2.309 13.137 ( 1.697 2.741 -1.774) 3.680 13.218 ( 1.939 -0.473 -1.062) 2.260 13.828 ( -2.884 4.761 2.909) 6.280 14.012 ( -0.424 -3.495 -0.782) 3.607 ======================= Grid point 242 (129/192) ======================= q-point: (-0.11 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 3.652 9.828 3.714) 11.123 1.565 ( 5.951 1.961 -0.133) 6.267 1.720 ( -1.991 2.610 -0.337) 3.300 1.842 ( -1.896 -2.366 -1.118) 3.232 2.060 ( -0.897 1.631 4.007) 4.419 2.125 ( 1.460 -0.242 0.124) 1.485 2.241 ( 0.370 1.014 -1.164) 1.588 2.351 ( -1.590 -3.589 -0.477) 3.955 2.503 ( 0.318 2.160 2.999) 3.709 2.544 ( 1.024 2.154 2.298) 3.312 3.410 ( 4.001 3.634 -6.772) 8.665 3.562 ( 3.777 -2.157 -8.560) 9.602 3.960 ( 1.313 3.637 -2.033) 4.369 4.076 ( 2.731 -2.107 -6.372) 7.246 5.113 ( -5.795 7.722 16.070) 18.748 5.192 ( -4.001 3.103 13.503) 14.421 5.860 ( 3.414 3.406 -5.570) 7.367 5.908 ( 0.608 -1.530 -3.660) 4.013 7.123 ( -3.672 1.689 5.209) 6.593 7.320 ( -5.023 -6.317 5.368) 9.693 7.840 ( 4.729 3.457 -6.993) 9.122 8.029 ( 2.972 -5.061 -6.228) 8.557 8.409 ( -1.533 2.850 0.509) 3.276 8.435 ( 1.380 3.811 1.306) 4.258 8.522 ( -2.465 -0.773 -0.527) 2.637 8.626 ( -0.546 -2.909 -1.395) 3.272 12.108 ( -1.460 6.342 2.800) 7.084 12.347 ( 0.674 2.659 -2.197) 3.514 12.407 ( -3.349 -5.915 1.422) 6.944 12.560 ( -0.656 -5.542 -2.666) 6.185 12.895 ( -0.790 -0.083 0.786) 1.117 12.930 ( -0.237 -2.283 -0.343) 2.320 13.169 ( 2.500 2.942 -0.283) 3.871 13.250 ( 2.195 -0.346 -0.372) 2.253 13.792 ( -3.060 4.630 1.940) 5.879 13.985 ( -1.201 -4.050 -2.071) 4.705 ======================= Grid point 243 (130/192) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 0.733 -5.797 0.679) 5.882 1.599 ( 0.733 5.797 0.679) 5.882 1.734 ( -1.130 -2.837 -1.394) 3.357 1.734 ( -1.130 2.837 -1.394) 3.357 2.143 ( 1.260 -1.604 3.643) 4.175 2.143 ( 1.260 1.604 3.643) 4.175 2.260 ( -2.065 -2.503 0.085) 3.246 2.260 ( -2.065 2.503 0.085) 3.246 2.559 ( -1.797 -1.860 3.299) 4.192 2.559 ( -1.797 1.860 3.299) 4.192 3.525 ( 6.698 -4.064 -10.108) 12.789 3.525 ( 6.698 4.064 -10.108) 12.789 4.028 ( 0.774 -3.469 -3.650) 5.094 4.028 ( 0.774 3.469 -3.650) 5.094 5.250 ( -4.139 -2.402 15.382) 16.110 5.250 ( -4.139 2.402 15.382) 16.110 5.868 ( -0.288 -1.821 -5.114) 5.436 5.868 ( -0.288 1.821 -5.114) 5.436 7.186 ( -1.336 -4.793 5.792) 7.635 7.186 ( -1.336 4.793 5.792) 7.635 7.947 ( 4.290 -4.635 -7.186) 9.567 7.947 ( 4.290 4.635 -7.186) 9.567 8.424 ( -3.109 -2.933 1.095) 4.412 8.424 ( -3.109 2.933 1.095) 4.412 8.553 ( 1.484 -3.930 -1.065) 4.334 8.553 ( 1.484 3.930 -1.065) 4.334 12.234 ( -1.394 -6.829 2.573) 7.430 12.234 ( -1.394 6.829 2.573) 7.430 12.440 ( 1.863 -5.414 -3.030) 6.478 12.440 ( 1.863 5.414 -3.030) 6.478 12.896 ( -0.269 -0.886 0.314) 0.978 12.896 ( -0.269 0.886 0.314) 0.978 13.268 ( 2.291 -1.938 0.281) 3.013 13.268 ( 2.291 1.938 0.281) 3.013 13.844 ( -2.334 -4.992 -0.622) 5.546 13.844 ( -2.334 4.992 -0.622) 5.546 ======================= Grid point 245 (131/192) ======================= q-point: ( 0.11 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -3.855 -3.000 0.187) 4.889 1.567 ( -3.855 3.000 0.187) 4.889 1.738 ( 1.929 -1.887 -0.564) 2.757 1.738 ( 1.929 1.887 -0.564) 2.757 2.141 ( -3.984 -1.962 1.519) 4.694 2.141 ( -3.984 1.962 1.519) 4.694 2.261 ( 1.872 -2.207 1.158) 3.118 2.261 ( 1.872 2.207 1.158) 3.118 2.533 ( -3.784 -2.376 2.811) 5.279 2.533 ( -3.784 2.376 2.811) 5.279 3.566 ( 6.254 -4.306 -9.656) 12.284 3.566 ( 6.254 4.306 -9.656) 12.284 3.997 ( -0.832 -4.902 -3.974) 6.365 3.997 ( -0.832 4.902 -3.974) 6.365 5.280 ( -6.307 -5.723 14.902) 17.164 5.280 ( -6.307 5.723 14.902) 17.164 5.825 ( 0.482 -6.205 -4.665) 7.778 5.825 ( 0.482 6.205 -4.665) 7.778 7.238 ( 1.648 -4.546 5.670) 7.452 7.238 ( 1.648 4.546 5.670) 7.452 7.948 ( 2.360 -5.261 -8.318) 10.121 7.948 ( 2.360 5.261 -8.318) 10.121 8.391 ( -1.380 -2.643 1.834) 3.501 8.391 ( -1.380 2.643 1.834) 3.501 8.585 ( 2.803 -3.639 -0.719) 4.650 8.585 ( 2.803 3.639 -0.719) 4.650 12.238 ( -0.365 -6.320 2.569) 6.832 12.238 ( -0.365 6.320 2.569) 6.832 12.466 ( 3.484 -5.865 -3.213) 7.541 12.466 ( 3.484 5.865 -3.213) 7.541 12.897 ( 0.100 -1.161 0.342) 1.215 12.897 ( 0.100 1.161 0.342) 1.215 13.302 ( 1.466 -1.129 -0.885) 2.051 13.302 ( 1.466 1.129 -0.885) 2.051 13.807 ( -1.515 -4.773 0.683) 5.054 13.807 ( -1.515 4.773 0.683) 5.054 ======================= Grid point 247 (132/192) ======================= q-point: ( 0.22 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -4.351 -1.404 -1.331) 4.761 1.486 ( -4.351 1.404 -1.331) 4.761 1.776 ( 2.225 -1.787 0.077) 2.854 1.776 ( 2.225 1.787 0.077) 2.854 2.074 ( -3.912 -3.523 1.754) 5.548 2.074 ( -3.912 3.523 1.754) 5.548 2.299 ( 1.410 -1.706 -0.650) 2.307 2.299 ( 1.410 1.706 -0.650) 2.307 2.473 ( -4.694 -3.419 2.574) 6.352 2.473 ( -4.694 3.419 2.574) 6.352 3.595 ( 4.767 -4.017 -7.751) 9.947 3.595 ( 4.767 4.017 -7.751) 9.947 3.940 ( -1.222 -6.013 -5.358) 8.146 3.940 ( -1.222 6.013 -5.358) 8.146 5.256 ( -8.055 -8.127 12.953) 17.284 5.256 ( -8.055 8.127 12.953) 17.284 5.821 ( 1.910 -9.124 -2.514) 9.655 5.821 ( 1.910 9.124 -2.514) 9.655 7.320 ( 2.092 -5.434 5.521) 8.024 7.320 ( 2.092 5.434 5.521) 8.024 7.907 ( 1.123 -6.203 -8.711) 10.752 7.907 ( 1.123 6.203 -8.711) 10.752 8.398 ( 0.282 -2.346 1.425) 2.760 8.398 ( 0.282 2.346 1.425) 2.760 8.639 ( 3.431 -3.280 -0.333) 4.758 8.639 ( 3.431 3.280 -0.333) 4.758 12.260 ( 0.351 -6.280 2.652) 6.826 12.260 ( 0.351 6.280 2.652) 6.826 12.508 ( 4.024 -6.638 -3.438) 8.489 12.508 ( 4.024 6.638 -3.438) 8.489 12.904 ( 0.278 -1.146 0.372) 1.236 12.904 ( 0.278 1.146 0.372) 1.236 13.301 ( 0.162 -0.413 -3.050) 3.082 13.301 ( 0.162 0.413 -3.050) 3.082 13.807 ( -0.086 -4.994 3.040) 5.847 13.807 ( -0.086 4.994 3.040) 5.847 ======================= Grid point 249 (133/192) ======================= q-point: ( 0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -3.685 -3.125 -3.325) 5.865 1.393 ( -3.685 3.125 -3.325) 5.865 1.811 ( 1.450 -1.900 -0.029) 2.391 1.811 ( 1.450 1.900 -0.029) 2.391 2.042 ( -1.326 -3.336 2.329) 4.279 2.042 ( -1.326 3.336 2.329) 4.279 2.288 ( -1.039 -0.808 -2.696) 3.000 2.288 ( -1.039 0.808 -2.696) 3.000 2.427 ( -2.473 -4.861 2.893) 6.174 2.427 ( -2.473 4.861 2.893) 6.174 3.621 ( 3.148 -1.886 -3.764) 5.257 3.621 ( 3.148 1.886 -3.764) 5.257 3.875 ( 0.185 -6.690 -8.053) 10.471 3.875 ( 0.185 6.690 -8.053) 10.471 5.217 ( -6.972 -8.098 12.724) 16.615 5.217 ( -6.972 8.098 12.724) 16.615 5.835 ( 1.224 -9.137 -2.072) 9.449 5.835 ( 1.224 9.137 -2.072) 9.449 7.387 ( 0.250 -7.015 5.510) 8.924 7.387 ( 0.250 7.015 5.510) 8.924 7.871 ( 2.661 -6.933 -7.987) 10.906 7.871 ( 2.661 6.933 -7.987) 10.906 8.406 ( -0.289 -2.339 -0.172) 2.363 8.406 ( -0.289 2.339 -0.172) 2.363 8.694 ( 2.641 -2.479 -0.355) 3.640 8.694 ( 2.641 2.479 -0.355) 3.640 12.286 ( 0.058 -6.331 2.326) 6.745 12.286 ( 0.058 6.331 2.326) 6.745 12.555 ( 3.925 -7.121 -2.979) 8.659 12.555 ( 3.925 7.121 -2.979) 8.659 12.910 ( 0.097 -0.789 0.306) 0.852 12.910 ( 0.097 0.789 0.306) 0.852 13.267 ( -0.388 -1.071 -4.315) 4.463 13.267 ( -0.388 1.071 -4.315) 4.463 13.845 ( 0.616 -5.235 4.502) 6.932 13.845 ( 0.616 5.235 4.502) 6.932 ======================= Grid point 251 (134/192) ======================= q-point: (-0.56 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -1.577 -3.720 -4.466) 6.023 1.311 ( -1.577 3.720 -4.466) 6.023 1.822 ( -0.147 -2.238 -0.163) 2.249 1.822 ( -0.147 2.238 -0.163) 2.249 2.057 ( 0.865 -2.198 1.712) 2.917 2.057 ( 0.865 2.198 1.712) 2.917 2.246 ( -0.618 -1.936 -2.604) 3.303 2.246 ( -0.618 1.936 -2.604) 3.303 2.423 ( -0.492 -4.910 2.484) 5.525 2.423 ( -0.492 4.910 2.484) 5.525 3.640 ( -0.284 -2.674 0.676) 2.772 3.640 ( -0.284 2.674 0.676) 2.772 3.835 ( 4.540 -7.289 -11.325) 14.213 3.835 ( 4.540 7.289 -11.325) 14.213 5.212 ( -5.497 -7.032 14.076) 16.667 5.212 ( -5.497 7.032 14.076) 16.667 5.826 ( 0.290 -7.767 -3.454) 8.506 5.826 ( 0.290 7.767 -3.454) 8.506 7.411 ( -2.452 -7.942 5.477) 9.955 7.411 ( -2.452 7.942 5.477) 9.955 7.884 ( 5.205 -7.029 -6.934) 11.161 7.884 ( 5.205 7.029 -6.934) 11.161 8.380 ( -1.719 -2.152 -1.593) 3.182 8.380 ( -1.719 2.152 -1.593) 3.182 8.723 ( 0.822 -1.464 -0.429) 1.733 8.723 ( 0.822 1.464 -0.429) 1.733 12.295 ( -0.826 -6.023 1.701) 6.312 12.295 ( -0.826 6.023 1.701) 6.312 12.598 ( 2.868 -6.555 -2.157) 7.474 12.598 ( 2.868 6.555 -2.157) 7.474 12.911 ( -0.193 -0.390 0.232) 0.493 12.911 ( -0.193 0.390 0.232) 0.493 13.227 ( -0.128 -0.942 -4.371) 4.473 13.227 ( -0.128 0.942 -4.371) 4.473 13.891 ( 0.309 -4.893 4.643) 6.752 13.891 ( 0.309 4.893 4.643) 6.752 ======================= Grid point 253 (135/192) ======================= q-point: (-0.44 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 2.133 -3.226 -3.922) 5.508 1.280 ( 2.133 3.226 -3.922) 5.508 1.811 ( -0.936 -1.668 0.444) 1.963 1.811 ( -0.936 1.668 0.444) 1.963 2.090 ( 1.448 -0.972 0.706) 1.881 2.090 ( 1.448 0.972 0.706) 1.881 2.229 ( 0.815 -2.475 -2.640) 3.709 2.229 ( 0.815 2.475 -2.640) 3.709 2.444 ( 0.474 -3.963 2.542) 4.732 2.444 ( 0.474 3.963 2.542) 4.732 3.610 ( -2.522 -5.320 -1.056) 5.981 3.610 ( -2.522 5.320 -1.056) 5.981 3.866 ( 7.625 -6.294 -9.739) 13.878 3.866 ( 7.625 6.294 -9.739) 13.878 5.228 ( -5.890 -4.927 14.891) 16.754 5.228 ( -5.890 4.927 14.891) 16.754 5.805 ( 1.454 -5.381 -4.352) 7.072 5.805 ( 1.454 5.381 -4.352) 7.072 7.389 ( -4.621 -7.684 5.533) 10.536 7.389 ( -4.621 7.684 5.533) 10.536 7.931 ( 5.550 -6.523 -7.511) 11.392 7.931 ( 5.550 6.523 -7.511) 11.392 8.337 ( -1.238 -0.988 -0.668) 1.719 8.337 ( -1.238 0.988 -0.668) 1.719 8.716 ( -1.259 -0.502 -0.406) 1.415 8.716 ( -1.259 0.502 -0.406) 1.415 12.286 ( -1.461 -5.750 1.521) 6.125 12.286 ( -1.461 5.750 1.521) 6.125 12.615 ( 0.588 -5.372 -2.067) 5.786 12.615 ( 0.588 5.372 -2.067) 5.786 12.909 ( -0.275 -0.295 0.357) 0.539 12.909 ( -0.275 0.295 0.357) 0.539 13.196 ( 0.298 -0.742 -3.774) 3.858 13.196 ( 0.298 0.742 -3.774) 3.858 13.925 ( -0.378 -4.405 3.922) 5.910 13.925 ( -0.378 4.405 3.922) 5.910 ======================= Grid point 255 (136/192) ======================= q-point: (-0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 5.645 -5.929 -2.371) 8.523 1.328 ( 5.645 5.929 -2.371) 8.523 1.802 ( -0.758 -2.573 1.255) 2.962 1.802 ( -0.758 2.573 1.255) 2.962 2.108 ( 0.017 -1.246 -0.088) 1.250 2.108 ( 0.017 1.246 -0.088) 1.250 2.235 ( 1.999 -2.190 -1.771) 3.454 2.235 ( 1.999 2.190 -1.771) 3.454 2.478 ( 0.908 -2.351 2.592) 3.615 2.478 ( 0.908 2.351 2.592) 3.615 3.550 ( -1.043 -5.348 -5.058) 7.434 3.550 ( -1.043 5.348 -5.058) 7.434 3.934 ( 6.832 -4.678 -7.104) 10.910 3.934 ( 6.832 4.678 -7.104) 10.910 5.223 ( -7.219 -1.982 13.847) 15.741 5.223 ( -7.219 1.982 13.847) 15.741 5.822 ( 3.692 -2.105 -3.266) 5.360 5.822 ( 3.692 2.105 -3.266) 5.360 7.335 ( -6.206 -6.947 5.749) 10.947 7.335 ( -6.206 6.947 5.749) 10.947 7.943 ( 3.297 -6.451 -9.639) 12.059 7.943 ( 3.297 6.451 -9.639) 12.059 8.350 ( 1.974 -0.961 2.303) 3.182 8.350 ( 1.974 0.961 2.303) 3.182 8.673 ( -2.887 -0.586 -0.543) 2.996 8.673 ( -2.887 0.586 -0.543) 2.996 12.270 ( -1.694 -5.996 1.896) 6.513 12.270 ( -1.694 5.996 1.896) 6.513 12.583 ( -1.866 -4.453 -2.785) 5.574 12.583 ( -1.866 4.453 -2.785) 5.574 12.908 ( -0.293 -0.689 0.589) 0.953 12.908 ( -0.293 0.689 0.589) 0.953 13.181 ( 0.956 -1.655 -2.657) 3.273 13.181 ( 0.956 1.655 -2.657) 3.273 13.938 ( -1.095 -4.456 2.608) 5.278 13.938 ( -1.095 4.456 2.608) 5.278 ======================= Grid point 257 (137/192) ======================= q-point: (-0.22 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 6.804 -6.018 -1.046) 9.144 1.432 ( 6.804 6.018 -1.046) 9.144 1.799 ( -0.835 -3.350 1.087) 3.620 1.799 ( -0.835 3.350 1.087) 3.620 2.094 ( -1.237 -1.466 0.478) 1.977 2.094 ( -1.237 1.466 0.478) 1.977 2.267 ( 1.975 -3.062 -0.289) 3.655 2.267 ( 1.975 3.062 -0.289) 3.655 2.515 ( 0.836 -1.387 2.788) 3.225 2.515 ( 0.836 1.387 2.788) 3.225 3.503 ( 1.860 -4.846 -8.092) 9.614 3.503 ( 1.860 4.846 -8.092) 9.614 3.993 ( 4.984 -3.631 -5.410) 8.203 3.993 ( 4.984 3.631 -5.410) 8.203 5.201 ( -6.526 -1.558 13.229) 14.833 5.201 ( -6.526 1.558 13.229) 14.833 5.871 ( 3.619 -0.262 -2.634) 4.484 5.871 ( 3.619 0.262 -2.634) 4.484 7.262 ( -6.700 -6.168 5.784) 10.788 7.262 ( -6.700 6.168 5.784) 10.788 7.922 ( 3.169 -5.879 -9.055) 11.252 7.922 ( 3.169 5.879 -9.055) 11.252 8.418 ( 2.489 -0.961 2.661) 3.768 8.418 ( 2.489 0.961 2.661) 3.768 8.609 ( -3.279 -1.848 -0.827) 3.854 8.609 ( -3.279 1.848 -0.827) 3.854 12.256 ( -1.763 -6.687 2.433) 7.331 12.256 ( -1.763 6.687 2.433) 7.331 12.514 ( -2.579 -4.374 -3.361) 6.089 12.514 ( -2.579 4.374 -3.361) 6.089 12.906 ( -0.460 -0.782 0.584) 1.079 12.906 ( -0.460 0.782 0.584) 1.079 13.190 ( 1.795 -2.245 -1.243) 3.132 13.190 ( 1.795 2.245 -1.243) 3.132 13.926 ( -1.776 -4.878 1.024) 5.291 13.926 ( -1.776 4.878 1.024) 5.291 ======================= Grid point 259 (138/192) ======================= q-point: (-0.11 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 5.107 -4.823 -0.169) 7.026 1.539 ( 5.107 4.823 -0.169) 7.026 1.778 ( -1.942 -3.346 -0.499) 3.901 1.778 ( -1.942 3.346 -0.499) 3.901 2.095 ( 0.261 -1.922 2.962) 3.541 2.095 ( 0.261 1.922 2.962) 3.541 2.285 ( -0.247 -2.910 0.084) 2.921 2.285 ( -0.247 2.910 0.084) 2.921 2.548 ( -0.007 -1.589 3.227) 3.597 2.548 ( -0.007 1.589 3.227) 3.597 3.494 ( 4.995 -4.298 -9.686) 11.715 3.494 ( 4.995 4.298 -9.686) 11.715 4.026 ( 2.871 -2.946 -4.227) 5.898 4.026 ( 2.871 2.946 -4.227) 5.898 5.208 ( -4.653 -1.943 14.186) 15.056 5.208 ( -4.653 1.943 14.186) 15.056 5.895 ( 1.546 -0.528 -3.738) 4.080 5.895 ( 1.546 0.528 -3.738) 4.080 7.198 ( -4.931 -5.495 5.789) 9.382 7.198 ( -4.931 5.495 5.789) 9.382 7.924 ( 4.242 -4.968 -7.495) 9.943 7.924 ( 4.242 4.968 -7.495) 9.943 8.456 ( -0.694 -1.678 1.579) 2.406 8.456 ( -0.694 1.678 1.579) 2.406 8.556 ( -1.227 -3.777 -1.149) 4.134 8.556 ( -1.227 3.777 -1.149) 4.134 12.244 ( -1.819 -7.195 2.685) 7.892 12.244 ( -1.819 7.195 2.685) 7.892 12.454 ( -0.780 -4.960 -3.292) 6.004 12.454 ( -0.780 4.960 -3.292) 6.004 12.901 ( -0.519 -0.727 0.406) 0.981 12.901 ( -0.519 0.727 0.406) 0.981 13.223 ( 2.336 -2.265 -0.054) 3.255 13.223 ( 2.336 2.265 -0.054) 3.255 13.892 ( -2.286 -5.116 -0.287) 5.611 13.892 ( -2.286 5.116 -0.287) 5.611 ======================= Grid point 297 (139/192) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -12.902 0.000 12.284) 17.814 1.403 ( 17.078 0.000 -0.565) 17.088 1.542 ( -5.544 0.000 10.406) 11.791 1.686 ( 1.566 0.000 -3.261) 3.618 1.925 ( 4.581 0.000 3.659) 5.863 2.059 ( -5.448 0.000 -7.748) 9.471 2.310 ( 0.587 0.000 4.610) 4.647 2.321 ( 0.002 0.000 2.393) 2.393 2.431 ( -2.281 0.000 0.654) 2.373 2.468 ( -0.120 0.000 -2.730) 2.732 3.410 ( -0.853 0.000 5.390) 5.457 3.498 ( 0.704 0.000 -3.223) 3.299 3.950 ( -0.982 0.000 4.838) 4.936 3.998 ( -0.715 0.000 1.946) 2.073 4.686 ( -5.367 0.000 15.311) 16.224 5.104 ( 8.122 0.000 -22.657) 24.069 5.461 ( 11.065 0.000 12.256) 16.512 5.713 ( -12.059 0.000 -12.733) 17.537 7.429 ( -0.475 0.000 1.582) 1.652 7.466 ( -0.309 0.000 -2.044) 2.067 7.702 ( 0.323 0.000 3.271) 3.287 7.777 ( 0.065 0.000 -4.084) 4.085 8.369 ( 1.157 0.000 6.413) 6.516 8.479 ( -2.736 0.000 -4.199) 5.011 8.489 ( 0.327 0.000 4.148) 4.161 8.597 ( 0.972 0.000 -6.644) 6.715 11.994 ( 4.714 0.000 2.769) 5.467 12.039 ( -3.924 0.000 -1.670) 4.264 12.825 ( 0.457 0.000 0.483) 0.665 12.830 ( 0.124 0.000 0.074) 0.145 12.940 ( -1.074 0.000 1.782) 2.081 12.975 ( 1.330 0.000 -1.739) 2.189 13.093 ( 0.102 0.000 0.713) 0.721 13.132 ( -0.892 0.000 -3.184) 3.306 13.842 ( -3.990 0.000 5.456) 6.759 13.937 ( 2.888 0.000 -3.977) 4.915 ======================= Grid point 298 (140/192) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -8.177 0.000 7.008) 10.769 1.444 ( -3.519 0.000 2.432) 4.278 1.708 ( 3.160 0.000 -3.284) 4.558 1.737 ( 13.032 0.000 -1.431) 13.110 1.872 ( -7.689 0.000 -7.393) 10.667 2.054 ( 4.777 0.000 7.028) 8.498 2.305 ( -3.616 0.000 1.523) 3.923 2.307 ( -1.481 0.000 -1.102) 1.846 2.429 ( -0.025 0.000 3.609) 3.609 2.500 ( 4.293 0.000 -0.738) 4.356 3.460 ( 2.359 0.000 3.133) 3.922 3.516 ( 3.477 0.000 -1.701) 3.871 3.996 ( 1.839 0.000 4.068) 4.464 4.036 ( 3.517 0.000 1.043) 3.668 4.705 ( -6.700 0.000 16.637) 17.936 5.068 ( 8.350 0.000 -23.613) 25.046 5.397 ( -11.288 0.000 -11.025) 15.778 5.754 ( 9.170 0.000 12.839) 15.778 7.417 ( -2.505 0.000 2.016) 3.215 7.432 ( -2.030 0.000 -0.673) 2.139 7.736 ( 0.299 0.000 3.492) 3.505 7.748 ( 0.506 0.000 -4.319) 4.349 8.406 ( -1.524 0.000 -3.656) 3.961 8.439 ( 0.327 0.000 6.754) 6.762 8.526 ( 0.370 0.000 3.635) 3.654 8.552 ( -0.082 0.000 -6.369) 6.370 11.934 ( -5.328 0.000 -2.454) 5.866 12.082 ( 2.866 0.000 1.294) 3.145 12.821 ( -0.800 0.000 -0.712) 1.071 12.827 ( -0.361 0.000 -0.260) 0.445 12.940 ( -0.421 0.000 1.395) 1.457 12.986 ( 1.401 0.000 -1.881) 2.345 13.104 ( 0.031 0.000 -1.471) 1.471 13.119 ( 1.274 0.000 2.384) 2.703 13.815 ( -3.891 0.000 5.969) 7.125 13.958 ( 2.661 0.000 -3.691) 4.550 ======================= Grid point 299 (141/192) ======================= q-point: ( 0.22 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 5.207 0.000 -0.632) 5.245 1.421 ( -1.347 0.000 3.296) 3.561 1.686 ( -7.216 0.000 2.706) 7.707 1.764 ( 3.779 0.000 -4.093) 5.570 1.896 ( 6.779 0.000 -2.990) 7.409 2.202 ( 4.236 0.000 4.282) 6.024 2.242 ( -1.819 0.000 0.789) 1.983 2.276 ( -0.578 0.000 -1.493) 1.602 2.465 ( 0.160 0.000 4.273) 4.276 2.555 ( 2.947 0.000 -3.708) 4.737 3.536 ( 3.493 0.000 2.124) 4.088 3.589 ( 5.125 0.000 -0.468) 5.147 4.070 ( 2.238 0.000 4.445) 4.976 4.128 ( 5.495 0.000 0.327) 5.504 4.704 ( -7.754 0.000 16.225) 17.982 5.036 ( 9.030 0.000 -24.325) 25.946 5.170 ( -4.885 0.000 -6.664) 8.263 5.953 ( 1.843 0.000 9.760) 9.933 7.374 ( -3.963 0.000 2.386) 4.626 7.390 ( -2.458 0.000 0.521) 2.512 7.731 ( 1.392 0.000 -4.149) 4.376 7.763 ( -0.333 0.000 3.153) 3.170 8.376 ( 1.059 0.000 -2.730) 2.928 8.478 ( -1.716 0.000 6.102) 6.338 8.500 ( -0.320 0.000 -5.115) 5.125 8.554 ( -0.244 0.000 2.483) 2.495 11.826 ( -4.303 0.000 -1.524) 4.565 12.110 ( 0.142 0.000 -1.103) 1.112 12.796 ( -1.030 0.000 -0.926) 1.385 12.814 ( -0.456 0.000 -0.594) 0.749 12.937 ( -0.626 0.000 -0.091) 0.633 12.992 ( 0.725 0.000 -1.696) 1.844 13.116 ( 1.324 0.000 1.192) 1.781 13.170 ( 1.944 0.000 2.761) 3.376 13.798 ( -3.329 0.000 6.452) 7.260 13.971 ( 1.969 0.000 -3.810) 4.288 ======================= Grid point 300 (142/192) ======================= q-point: ( 0.33 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 12.436 0.000 -2.194) 12.628 1.446 ( 1.651 0.000 1.712) 2.379 1.631 ( -3.711 0.000 11.187) 11.786 1.830 ( 5.549 0.000 -1.468) 5.740 1.953 ( 1.630 0.000 -1.162) 2.002 2.147 ( -5.382 0.000 1.006) 5.475 2.265 ( 0.155 0.000 -0.326) 0.360 2.365 ( 7.013 0.000 0.358) 7.022 2.495 ( -0.480 0.000 3.745) 3.776 2.548 ( 1.144 0.000 -6.494) 6.594 3.612 ( 2.934 0.000 1.934) 3.514 3.675 ( 3.967 0.000 0.156) 3.970 4.133 ( -0.153 0.000 6.155) 6.157 4.219 ( 3.210 0.000 1.482) 3.536 4.684 ( -7.372 0.000 13.490) 15.373 5.008 ( 9.696 0.000 -23.372) 25.304 5.147 ( 6.189 0.000 -2.779) 6.784 5.950 ( -8.510 0.000 4.191) 9.486 7.323 ( -3.517 0.000 2.680) 4.422 7.355 ( -1.884 0.000 0.830) 2.058 7.733 ( 2.214 0.000 -3.641) 4.261 7.769 ( -1.538 0.000 2.413) 2.861 8.397 ( 3.454 0.000 -2.576) 4.309 8.468 ( 0.460 0.000 -2.821) 2.858 8.477 ( -3.106 0.000 4.774) 5.696 8.551 ( -1.791 0.000 1.287) 2.206 11.771 ( -1.119 0.000 0.775) 1.361 12.071 ( -2.328 0.000 -3.362) 4.089 12.776 ( -0.338 0.000 -0.517) 0.617 12.807 ( 0.125 0.000 -0.364) 0.385 12.918 ( -0.778 0.000 -0.984) 1.254 12.980 ( -0.626 0.000 -1.587) 1.706 13.162 ( 1.796 0.000 2.722) 3.261 13.226 ( 1.908 0.000 1.894) 2.688 13.797 ( -2.619 0.000 6.719) 7.211 13.968 ( 1.198 0.000 -4.274) 4.438 ======================= Grid point 301 (143/192) ======================= q-point: ( 0.44 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 1.722 0.000 2.239) 2.825 1.492 ( 2.595 0.000 -1.120) 2.826 1.750 ( 6.043 0.000 9.437) 11.206 1.934 ( 6.029 0.000 0.493) 6.049 1.939 ( -2.665 0.000 -0.566) 2.725 2.051 ( -5.701 0.000 0.517) 5.724 2.277 ( 0.635 0.000 1.770) 1.880 2.439 ( 1.881 0.000 -5.557) 5.867 2.501 ( -1.835 0.000 2.904) 3.436 2.526 ( 2.868 0.000 -4.196) 5.082 3.665 ( 0.417 0.000 3.065) 3.093 3.719 ( 0.688 0.000 -0.219) 0.722 4.157 ( -3.785 0.000 8.871) 9.645 4.256 ( -2.098 0.000 5.374) 5.769 4.656 ( -5.274 0.000 8.507) 10.009 5.027 ( 13.174 0.000 -25.263) 28.492 5.337 ( 13.928 0.000 3.583) 14.381 5.728 ( -16.478 0.000 -0.588) 16.489 7.298 ( -1.554 0.000 2.746) 3.155 7.337 ( -0.508 0.000 0.105) 0.519 7.747 ( -2.616 0.000 1.788) 3.169 7.751 ( 2.621 0.000 -2.817) 3.848 8.442 ( -4.211 0.000 3.354) 5.383 8.451 ( 4.921 0.000 -3.642) 6.122 8.477 ( 1.810 0.000 -0.115) 1.814 8.516 ( -2.577 0.000 0.582) 2.642 11.800 ( 2.360 0.000 3.064) 3.868 11.982 ( -3.706 0.000 -4.708) 5.991 12.778 ( 0.623 0.000 0.070) 0.627 12.806 ( -0.132 0.000 -0.713) 0.725 12.906 ( 0.337 0.000 -0.367) 0.498 12.948 ( -1.392 0.000 -1.513) 2.056 13.214 ( 1.257 0.000 2.783) 3.053 13.261 ( 0.807 0.000 0.324) 0.870 13.809 ( -1.913 0.000 6.817) 7.081 13.950 ( 0.866 0.000 -4.738) 4.816 ======================= Grid point 302 (144/192) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -2.792 0.000 5.119) 5.831 1.491 ( -1.796 0.000 -4.302) 4.662 1.840 ( -7.166 0.000 -0.012) 7.166 1.900 ( 3.517 0.000 3.230) 4.776 1.960 ( -3.679 0.000 -1.927) 4.153 2.046 ( 5.115 0.000 1.838) 5.436 2.318 ( 1.196 0.000 4.233) 4.399 2.378 ( -1.156 0.000 -7.714) 7.800 2.472 ( -3.366 0.000 1.828) 3.830 2.561 ( 2.806 0.000 -2.873) 4.016 3.663 ( -5.015 0.000 6.313) 8.063 3.702 ( -1.621 0.000 -1.165) 1.997 4.139 ( -6.687 0.000 10.564) 12.502 4.234 ( -5.820 0.000 7.866) 9.785 4.630 ( -3.411 0.000 5.159) 6.184 5.070 ( 13.298 0.000 -24.820) 28.158 5.399 ( -17.065 0.000 -1.947) 17.176 5.666 ( 16.872 0.000 5.331) 17.694 7.309 ( 0.470 0.000 2.385) 2.431 7.342 ( 1.592 0.000 -1.084) 1.926 7.710 ( -2.799 0.000 1.686) 3.268 7.780 ( 2.546 0.000 -1.962) 3.215 8.384 ( -4.586 0.000 2.759) 5.352 8.474 ( -2.370 0.000 0.358) 2.397 8.508 ( 3.879 0.000 -1.814) 4.282 8.528 ( 4.155 0.000 -1.863) 4.554 11.877 ( -3.325 0.000 -4.559) 5.642 11.892 ( 4.178 0.000 4.095) 5.850 12.790 ( -0.460 0.000 -1.187) 1.273 12.794 ( 0.795 0.000 0.317) 0.856 12.915 ( -0.712 0.000 -1.194) 1.390 12.925 ( 1.253 0.000 0.756) 1.464 13.246 ( 0.220 0.000 1.680) 1.694 13.257 ( -0.799 0.000 -1.244) 1.478 13.834 ( -1.410 0.000 6.726) 6.872 13.928 ( 1.114 0.000 -4.943) 5.067 ======================= Grid point 303 (145/192) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -14.494 0.000 -4.663) 15.225 1.411 ( -3.470 0.000 5.412) 6.429 1.739 ( -3.928 0.000 1.165) 4.097 1.880 ( -1.655 0.000 -5.778) 6.011 1.919 ( -3.101 0.000 1.755) 3.563 2.145 ( 4.155 0.000 1.790) 4.524 2.301 ( -1.777 0.000 -4.164) 4.527 2.356 ( -1.963 0.000 2.128) 2.895 2.432 ( -1.210 0.000 2.834) 3.081 2.573 ( 1.419 0.000 -3.774) 4.032 3.584 ( -10.533 0.000 10.475) 14.855 3.652 ( -2.158 0.000 -2.282) 3.141 4.085 ( -8.233 0.000 10.417) 13.278 4.178 ( -6.421 0.000 5.943) 8.750 4.623 ( -2.495 0.000 6.801) 7.244 5.109 ( 11.987 0.000 -23.442) 26.329 5.136 ( -9.983 0.000 0.099) 9.983 5.970 ( 12.007 0.000 2.102) 12.189 7.345 ( 1.442 0.000 1.699) 2.228 7.377 ( 3.608 0.000 -2.141) 4.195 7.678 ( -2.103 0.000 1.918) 2.846 7.807 ( 1.908 0.000 -1.714) 2.565 8.329 ( -3.917 0.000 3.285) 5.112 8.441 ( -1.573 0.000 0.692) 1.718 8.562 ( 2.717 0.000 -0.384) 2.744 8.581 ( 4.423 0.000 -4.809) 6.534 11.806 ( -0.984 0.000 -2.685) 2.860 11.999 ( 3.814 0.000 3.662) 5.288 12.779 ( 0.254 0.000 -0.857) 0.894 12.803 ( 0.064 0.000 0.045) 0.078 12.912 ( 1.063 0.000 -0.470) 1.163 12.951 ( 0.514 0.000 1.342) 1.437 13.216 ( -1.988 0.000 -2.238) 2.994 13.247 ( -0.646 0.000 -0.234) 0.687 13.861 ( -1.489 0.000 6.326) 6.499 13.914 ( 1.668 0.000 -4.908) 5.183 ======================= Grid point 304 (146/192) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -12.736 0.000 4.940) 13.661 1.392 ( -3.975 0.000 6.442) 7.569 1.685 ( -4.724 0.000 2.964) 5.577 1.826 ( 1.949 0.000 -7.316) 7.572 1.837 ( -7.260 0.000 2.453) 7.663 2.223 ( 2.804 0.000 1.935) 3.407 2.257 ( -1.384 0.000 0.519) 1.478 2.287 ( -3.705 0.000 -2.881) 4.693 2.462 ( -0.220 0.000 4.090) 4.096 2.555 ( 0.191 0.000 -4.324) 4.328 3.476 ( -10.295 0.000 11.587) 15.500 3.592 ( -1.872 0.000 -3.423) 3.901 4.015 ( -7.735 0.000 8.872) 11.771 4.100 ( -6.177 0.000 3.771) 7.237 4.642 ( -3.171 0.000 10.070) 10.558 5.063 ( 0.165 0.000 4.294) 4.297 5.130 ( 10.346 0.000 -22.370) 24.647 6.096 ( 2.286 0.000 -4.211) 4.791 7.383 ( 1.427 0.000 1.202) 1.866 7.430 ( 4.087 0.000 -2.804) 4.956 7.666 ( -1.034 0.000 2.239) 2.466 7.818 ( 0.935 0.000 -2.340) 2.519 8.300 ( -2.454 0.000 4.264) 4.920 8.432 ( -0.490 0.000 1.952) 2.012 8.586 ( 0.473 0.000 -1.500) 1.573 8.611 ( 3.791 0.000 -6.120) 7.199 11.808 ( 2.303 0.000 0.174) 2.309 12.075 ( 1.787 0.000 2.191) 2.827 12.787 ( 1.010 0.000 -0.217) 1.033 12.806 ( 0.306 0.000 0.189) 0.359 12.937 ( 1.677 0.000 -0.302) 1.704 12.960 ( -0.857 0.000 1.616) 1.830 13.158 ( -2.225 0.000 -2.366) 3.248 13.222 ( -1.026 0.000 -2.213) 2.439 13.875 ( -2.299 0.000 5.720) 6.164 13.911 ( 2.238 0.000 -4.725) 5.228 ======================= Grid point 305 (147/192) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 9.379 0.000 13.180) 16.176 1.355 ( -8.095 0.000 10.210) 13.030 1.611 ( -6.392 0.000 4.473) 7.802 1.727 ( -4.846 0.000 -0.003) 4.846 1.841 ( 4.117 0.000 -2.900) 5.035 2.188 ( -3.563 0.000 -5.204) 6.307 2.262 ( 0.101 0.000 3.719) 3.720 2.283 ( 1.728 0.000 2.335) 2.905 2.467 ( -2.084 0.000 2.133) 2.982 2.513 ( -1.035 0.000 -3.995) 4.127 3.411 ( -5.719 0.000 8.983) 10.648 3.534 ( -1.166 0.000 -3.986) 4.153 3.959 ( -4.922 0.000 6.670) 8.290 4.027 ( -4.357 0.000 2.774) 5.166 4.663 ( -4.425 0.000 12.772) 13.516 5.128 ( 8.914 0.000 -22.092) 23.822 5.196 ( 7.922 0.000 9.044) 12.023 5.989 ( -7.118 0.000 -10.217) 12.452 7.414 ( 0.831 0.000 1.215) 1.472 7.468 ( 2.342 0.000 -2.846) 3.686 7.676 ( -0.132 0.000 2.722) 2.725 7.805 ( 0.238 0.000 -3.344) 3.352 8.312 ( -0.366 0.000 5.394) 5.407 8.452 ( 0.197 0.000 3.472) 3.478 8.554 ( -1.685 0.000 -3.571) 3.948 8.618 ( 2.352 0.000 -6.285) 6.711 11.884 ( 4.602 0.000 2.397) 5.189 12.091 ( -1.113 0.000 0.191) 1.129 12.807 ( 1.009 0.000 0.404) 1.087 12.819 ( 0.683 0.000 0.480) 0.835 12.950 ( -1.484 0.000 1.716) 2.269 12.961 ( 1.472 0.000 -0.893) 1.722 13.108 ( -1.399 0.000 -1.369) 1.957 13.179 ( -1.151 0.000 -3.357) 3.549 13.867 ( -3.367 0.000 5.324) 6.300 13.920 ( 2.682 0.000 -4.401) 5.154 ======================= Grid point 306 (148/192) ======================= q-point: ( 0.00 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -10.413 2.975 10.865) 15.341 1.420 ( 14.460 1.923 -1.706) 14.687 1.564 ( -4.032 1.846 9.508) 10.491 1.686 ( 0.345 0.100 -2.294) 2.322 1.957 ( 4.565 2.910 3.918) 6.683 2.083 ( -5.296 1.987 -6.572) 8.671 2.241 ( 0.004 -3.919 4.934) 6.301 2.324 ( -0.941 -1.959 -2.498) 3.311 2.449 ( 1.163 2.408 2.760) 3.843 2.499 ( -1.377 2.222 -2.009) 3.297 3.404 ( -1.047 -0.637 4.826) 4.979 3.491 ( 0.596 -0.598 -3.336) 3.441 3.910 ( -0.714 -2.132 5.204) 5.669 4.006 ( 0.989 -0.523 -3.033) 3.233 4.779 ( -7.707 8.996 18.283) 21.785 5.184 ( 8.406 7.128 -18.813) 21.804 5.474 ( 10.551 1.320 10.354) 14.842 5.709 ( -11.283 -0.399 -12.106) 16.554 7.369 ( -0.566 -4.242 3.375) 5.450 7.455 ( 0.165 -1.562 -4.905) 5.150 7.752 ( -0.385 4.180 4.713) 6.311 7.843 ( 0.331 5.509 -4.316) 7.006 8.351 ( 0.782 -1.662 5.271) 5.582 8.424 ( -0.663 -3.297 -0.953) 3.496 8.524 ( -1.586 1.384 0.693) 2.216 8.595 ( 1.306 -0.100 -5.682) 5.831 12.005 ( 4.023 1.165 3.044) 5.178 12.057 ( -3.380 1.763 -2.045) 4.326 12.794 ( 1.347 -2.950 0.859) 3.355 12.808 ( -0.969 -2.580 -0.455) 2.793 12.935 ( -0.949 -0.318 2.009) 2.244 12.977 ( 1.107 0.066 -2.132) 2.403 13.099 ( 0.500 0.703 0.927) 1.266 13.141 ( -0.791 0.830 -3.183) 3.383 13.829 ( -3.224 -0.999 6.235) 7.090 13.942 ( 2.150 0.222 -4.784) 5.250 ======================= Grid point 307 (149/192) ======================= q-point: ( 0.11 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -7.389 4.455 5.823) 10.409 1.454 ( -2.500 1.268 0.344) 2.824 1.688 ( 4.376 -1.160 -2.545) 5.193 1.751 ( 9.921 0.869 -0.135) 9.960 1.907 ( -7.405 3.182 -6.709) 10.487 2.084 ( 4.414 2.627 6.473) 8.263 2.256 ( -2.896 -4.348 2.056) 5.614 2.286 ( -0.520 -1.909 0.021) 1.979 2.448 ( -0.990 1.856 -0.125) 2.108 2.527 ( 3.214 2.052 0.327) 3.827 3.441 ( 1.743 -2.144 2.924) 4.023 3.506 ( 2.863 -0.415 -1.198) 3.131 3.957 ( 1.520 -2.218 4.355) 5.118 4.031 ( 4.835 -1.491 -4.327) 6.657 4.781 ( -8.577 7.614 19.154) 22.325 5.184 ( 9.047 10.130 -20.756) 24.805 5.405 ( -10.745 0.928 -10.257) 14.884 5.749 ( 8.579 -0.507 11.551) 14.397 7.372 ( -2.375 -3.438 3.740) 5.607 7.413 ( -0.854 -1.614 -3.253) 3.731 7.781 ( -0.513 3.937 4.744) 6.186 7.814 ( 0.342 5.386 -4.597) 7.089 8.385 ( -0.694 -1.846 -1.850) 2.704 8.402 ( -0.175 -3.099 2.905) 4.251 8.526 ( -0.353 0.109 2.706) 2.731 8.576 ( 1.043 1.670 -3.688) 4.181 11.955 ( -4.860 2.054 -2.376) 5.786 12.094 ( 2.795 1.161 1.454) 3.358 12.781 ( -1.202 -3.406 -0.751) 3.689 12.819 ( 0.795 -1.497 0.095) 1.697 12.940 ( -0.202 -0.003 1.787) 1.799 12.982 ( 1.324 -0.305 -2.101) 2.502 13.107 ( -0.471 0.364 -1.970) 2.058 13.127 ( 1.069 0.799 2.055) 2.450 13.812 ( -3.784 -0.243 5.904) 7.016 13.955 ( 2.761 -0.373 -3.679) 4.615 ======================= Grid point 308 (150/192) ======================= q-point: ( 0.22 0.10 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 3.584 2.880 -0.357) 4.611 1.431 ( -0.443 1.322 1.173) 1.823 1.706 ( -3.823 1.251 1.104) 4.171 1.765 ( 0.104 1.011 -3.356) 3.506 1.901 ( 7.018 0.482 -2.567) 7.489 2.189 ( -1.346 -1.952 1.796) 2.975 2.236 ( 3.653 -0.069 3.433) 5.013 2.273 ( -0.999 -0.730 -0.104) 1.241 2.451 ( 0.504 -0.473 1.405) 1.566 2.562 ( 1.290 0.557 -2.478) 2.848 3.514 ( 4.228 -3.129 1.680) 5.522 3.563 ( 3.010 -1.147 1.251) 3.456 4.021 ( 1.284 -3.238 4.315) 5.546 4.102 ( 7.102 -3.253 -6.013) 9.858 4.771 ( -9.491 7.166 19.787) 23.086 5.161 ( 1.594 6.363 -14.952) 16.327 5.216 ( 3.529 8.374 -13.361) 16.158 5.930 ( 1.315 -2.338 9.010) 9.401 7.341 ( -3.127 -2.525 2.056) 4.514 7.380 ( -1.602 -0.697 0.310) 1.775 7.786 ( 0.869 4.690 -4.703) 6.699 7.806 ( -0.884 3.735 4.231) 5.712 8.370 ( 1.413 -0.644 -2.898) 3.287 8.403 ( -1.498 -4.213 1.674) 4.774 8.534 ( -0.897 0.366 1.879) 2.114 8.580 ( 0.667 2.626 -0.180) 2.715 11.858 ( -3.640 3.135 -1.507) 5.034 12.125 ( 0.236 1.403 -0.614) 1.549 12.760 ( -0.607 -3.089 -0.288) 3.162 12.821 ( -0.147 -0.015 -0.935) 0.947 12.946 ( -0.309 0.701 0.108) 0.773 12.988 ( 0.767 -0.414 -1.673) 1.887 13.102 ( 0.812 -1.099 0.622) 1.501 13.168 ( 1.501 -0.149 2.238) 2.699 13.795 ( -3.012 -0.234 5.822) 6.559 13.973 ( 2.019 0.120 -3.164) 3.755 ======================= Grid point 309 (151/192) ======================= q-point: ( 0.33 0.10 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 11.066 -0.208 -0.718) 11.091 1.454 ( 1.992 1.266 0.173) 2.367 1.646 ( -4.083 1.683 7.866) 9.021 1.804 ( 4.026 -2.038 -1.616) 4.793 1.974 ( 3.107 1.572 -1.319) 3.723 2.138 ( -3.999 -1.291 1.146) 4.356 2.258 ( -0.297 -0.733 -0.163) 0.807 2.358 ( 5.597 -0.810 1.188) 5.779 2.474 ( 0.487 -1.588 1.394) 2.169 2.535 ( -0.766 -1.044 -4.858) 5.028 3.607 ( 3.694 -0.786 1.445) 4.043 3.628 ( 2.765 -4.096 2.499) 5.538 4.057 ( -2.103 -4.973 6.064) 8.120 4.178 ( 7.069 -5.149 -7.746) 11.682 4.754 ( -9.770 7.908 19.997) 23.619 5.120 ( 6.400 5.972 -9.899) 13.215 5.231 ( 8.957 10.363 -14.316) 19.813 5.919 ( -8.289 -2.972 4.086) 9.707 7.306 ( -2.792 -1.362 2.877) 4.234 7.357 ( -1.214 0.220 0.294) 1.268 7.774 ( 1.872 3.655 -4.302) 5.948 7.809 ( -2.161 3.652 3.125) 5.270 8.373 ( 0.708 -3.884 -1.914) 4.388 8.403 ( 0.971 -1.201 0.430) 1.603 8.526 ( -1.250 1.417 1.548) 2.442 8.581 ( -0.729 2.933 0.308) 3.037 11.814 ( -0.575 4.191 0.665) 4.282 12.094 ( -2.091 2.144 -2.662) 4.006 12.755 ( 0.022 -2.192 0.373) 2.224 12.808 ( -0.090 0.172 -1.209) 1.224 12.931 ( -0.586 1.154 -1.161) 1.739 12.977 ( -0.573 -0.384 -1.453) 1.609 13.141 ( 1.705 -1.924 2.521) 3.601 13.212 ( 1.603 -1.245 1.396) 2.463 13.797 ( -2.125 0.101 6.301) 6.650 13.974 ( 1.102 0.554 -3.742) 3.940 ======================= Grid point 310 (152/192) ======================= q-point: ( 0.44 0.10 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 2.724 1.006 1.396) 3.222 1.488 ( 1.714 -0.177 0.315) 1.752 1.713 ( 3.697 -2.597 7.196) 8.497 1.853 ( 1.971 -4.141 -1.780) 4.919 2.009 ( 1.961 2.937 0.081) 3.533 2.071 ( -4.024 1.231 0.753) 4.275 2.264 ( 0.252 -1.105 2.044) 2.337 2.425 ( 1.619 -1.364 -5.062) 5.487 2.470 ( -2.826 -3.033 2.317) 4.749 2.500 ( 3.022 -2.106 -3.831) 5.314 3.649 ( -1.402 -1.738 4.766) 5.263 3.698 ( 3.136 -1.908 -0.729) 3.743 4.043 ( -5.611 -6.852 9.071) 12.677 4.228 ( 5.363 -5.882 -8.390) 11.565 4.737 ( -9.338 9.497 19.531) 23.640 5.177 ( 11.513 11.492 -21.626) 27.061 5.362 ( 12.386 2.838 1.549) 12.801 5.711 ( -15.390 -1.644 -0.217) 15.479 7.288 ( -2.291 -0.756 4.102) 4.759 7.348 ( 1.036 1.092 -1.650) 2.234 7.776 ( -2.696 3.011 1.612) 4.351 7.789 ( 1.978 3.079 -2.646) 4.516 8.374 ( -0.833 -4.304 1.677) 4.694 8.421 ( 1.622 -2.234 -2.641) 3.820 8.527 ( 0.538 2.979 1.111) 3.225 8.562 ( -1.083 3.411 -0.222) 3.586 11.848 ( 2.456 4.611 2.844) 5.948 12.015 ( -3.442 3.137 -4.053) 6.174 12.764 ( 0.378 -1.491 0.729) 1.702 12.799 ( 0.021 -0.419 -1.268) 1.335 12.918 ( 0.272 1.075 -0.731) 1.328 12.948 ( -1.216 -0.093 -1.324) 1.801 13.191 ( 1.229 -2.133 2.675) 3.635 13.241 ( 0.740 -1.912 -0.019) 2.050 13.816 ( -1.730 0.635 6.843) 7.087 13.957 ( 0.906 0.687 -4.682) 4.818 ======================= Grid point 311 (153/192) ======================= q-point: (-0.44 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -3.470 0.708 4.522) 5.744 1.496 ( -1.740 0.277 -3.442) 3.866 1.763 ( -4.501 -5.570 2.888) 7.721 1.861 ( 2.271 -3.495 -2.867) 5.059 2.009 ( -2.919 3.054 0.114) 4.227 2.064 ( 2.935 1.060 1.466) 3.448 2.301 ( 0.768 -1.145 4.507) 4.714 2.358 ( -1.602 -1.616 -5.863) 6.289 2.451 ( -1.827 -1.983 0.884) 2.837 2.535 ( 3.204 -2.542 -3.210) 5.199 3.633 ( -5.315 -2.513 6.406) 8.695 3.711 ( -0.571 0.275 -1.869) 1.974 4.014 ( -5.819 -7.254 10.105) 13.732 4.235 ( 1.977 -4.658 -6.826) 8.497 4.726 ( -8.456 10.853 18.397) 22.973 5.193 ( 10.040 9.937 -22.716) 26.750 5.406 ( -15.703 0.738 -1.338) 15.777 5.660 ( 15.579 -0.500 4.560) 16.240 7.285 ( -1.306 -1.396 3.430) 3.927 7.372 ( 3.536 2.060 -2.917) 5.026 7.729 ( -3.602 1.957 2.515) 4.809 7.820 ( 3.139 3.576 -2.206) 5.245 8.352 ( -3.230 -2.713 2.374) 4.840 8.430 ( 1.254 -3.045 -1.945) 3.825 8.543 ( 0.179 2.601 -0.089) 2.609 8.567 ( 2.730 2.955 -1.109) 4.173 11.908 ( -2.524 3.230 -1.324) 4.308 11.945 ( 3.094 4.805 1.005) 5.803 12.778 ( 0.400 -1.450 0.818) 1.712 12.785 ( -0.243 -0.541 -1.471) 1.586 12.919 ( -0.528 0.358 -0.605) 0.879 12.933 ( 1.162 0.629 -0.025) 1.321 13.221 ( -0.013 -2.378 1.547) 2.837 13.236 ( -0.529 -1.981 -1.285) 2.420 13.836 ( -2.127 0.346 6.527) 6.873 13.941 ( 1.764 1.141 -4.812) 5.251 ======================= Grid point 312 (154/192) ======================= q-point: (-0.33 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -14.295 -0.360 -3.713) 14.773 1.407 ( -4.435 -0.023 5.690) 7.214 1.710 ( -2.416 -2.419 1.899) 3.910 1.852 ( 0.518 -2.013 -5.170) 5.573 1.948 ( -4.422 2.040 0.570) 4.903 2.133 ( 2.790 -1.414 1.961) 3.692 2.286 ( -1.295 -0.670 -2.846) 3.198 2.350 ( -1.158 -0.632 2.797) 3.092 2.427 ( -0.309 -0.352 0.490) 0.678 2.557 ( 2.181 -1.635 -3.507) 4.442 3.561 ( -8.498 -2.077 7.818) 11.733 3.661 ( -2.600 0.455 -2.153) 3.406 3.986 ( -5.894 -5.901 8.764) 12.099 4.192 ( -1.786 -2.427 -4.151) 5.130 4.728 ( -6.746 10.949 17.255) 21.520 5.148 ( -6.451 2.755 -2.506) 7.448 5.210 ( 6.430 7.362 -18.295) 20.743 5.942 ( 11.322 -2.673 1.816) 11.774 7.295 ( -0.074 -2.668 2.253) 3.493 7.421 ( 4.620 2.187 -4.017) 6.501 7.695 ( -2.629 1.651 3.489) 4.670 7.859 ( 2.686 4.589 -1.937) 5.659 8.313 ( -2.917 -1.578 2.802) 4.342 8.424 ( -0.607 -1.485 -0.731) 1.762 8.561 ( 1.895 0.098 -0.742) 2.037 8.605 ( 2.809 2.099 -2.741) 4.451 11.842 ( -1.472 3.495 -2.029) 4.300 12.037 ( 3.520 3.590 2.850) 5.779 12.769 ( -0.342 -1.497 -1.057) 1.864 12.790 ( 0.422 -0.710 0.536) 0.984 12.919 ( 0.842 0.667 -0.050) 1.075 12.955 ( 0.628 0.215 0.734) 0.990 13.194 ( -1.768 -2.179 -2.279) 3.615 13.227 ( -0.491 -1.890 -0.084) 1.955 13.838 ( -2.259 -1.220 4.343) 5.045 13.947 ( 2.098 2.245 -3.130) 4.386 ======================= Grid point 313 (155/192) ======================= q-point: (-0.22 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -10.620 3.037 5.891) 12.519 1.377 ( -4.515 -0.805 7.068) 8.426 1.677 ( -3.786 -0.567 2.558) 4.604 1.829 ( 2.443 0.403 -5.754) 6.264 1.856 ( -6.225 1.969 1.129) 6.626 2.185 ( 0.918 -3.115 2.009) 3.818 2.263 ( -0.191 0.484 -0.196) 0.556 2.306 ( -2.334 1.088 -1.891) 3.195 2.446 ( 0.202 -0.770 1.511) 1.708 2.559 ( 0.726 0.068 -2.667) 2.765 3.468 ( -8.206 -1.023 8.098) 11.574 3.594 ( -2.449 -0.024 -2.970) 3.850 3.941 ( -5.938 -4.366 7.635) 10.611 4.115 ( -3.406 -0.920 -2.580) 4.371 4.753 ( -6.006 10.691 17.186) 21.112 5.080 ( -0.504 2.195 3.682) 4.317 5.209 ( 9.164 6.767 -19.727) 22.780 6.063 ( 2.442 -3.159 -3.950) 5.616 7.317 ( 0.564 -3.940 1.997) 4.453 7.464 ( 3.970 1.097 -5.183) 6.621 7.693 ( -1.093 2.492 4.417) 5.188 7.878 ( 1.448 5.269 -2.848) 6.162 8.296 ( -1.915 -0.470 3.857) 4.332 8.411 ( -0.298 -1.759 0.293) 1.808 8.583 ( 0.899 -0.805 -0.928) 1.522 8.619 ( 2.057 1.171 -4.874) 5.419 11.837 ( 1.675 2.870 0.473) 3.357 12.102 ( 1.531 2.535 1.546) 3.341 12.759 ( -0.033 -2.646 -0.329) 2.667 12.805 ( 0.708 -0.251 0.507) 0.906 12.939 ( 0.745 0.269 0.580) 0.981 12.964 ( -0.117 0.309 0.573) 0.662 13.140 ( -1.799 -1.642 -2.456) 3.459 13.210 ( -0.521 -1.137 -1.794) 2.187 13.831 ( -1.815 -2.348 3.519) 4.603 13.956 ( 1.340 2.526 -2.723) 3.949 ======================= Grid point 314 (156/192) ======================= q-point: (-0.11 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 8.954 5.085 12.030) 15.835 1.348 ( -6.674 0.168 9.866) 11.913 1.615 ( -5.046 0.348 3.143) 5.955 1.746 ( -5.517 1.867 0.069) 5.825 1.864 ( 4.460 2.357 -1.920) 5.398 2.203 ( -3.851 -0.570 -0.488) 3.923 2.209 ( 0.016 -1.760 -0.016) 1.760 2.315 ( 2.356 1.084 0.052) 2.594 2.442 ( -1.102 -0.900 0.216) 1.440 2.540 ( -1.129 1.642 -1.389) 2.429 3.408 ( -4.660 -0.446 6.693) 8.167 3.530 ( -1.533 -0.419 -3.621) 3.955 3.905 ( -3.866 -2.969 6.469) 8.100 4.041 ( -2.234 -0.365 -2.399) 3.298 4.771 ( -7.060 10.367 17.462) 21.500 5.159 ( 6.823 2.413 -6.040) 9.426 5.251 ( 9.215 5.612 -5.251) 11.999 5.968 ( -6.513 -2.083 -9.559) 11.753 7.345 ( 0.446 -4.521 2.523) 5.197 7.477 ( 2.059 -0.524 -5.480) 5.877 7.719 ( -0.196 3.764 4.659) 5.992 7.868 ( 0.568 5.378 -3.835) 6.629 8.306 ( -0.512 -0.490 4.659) 4.712 8.420 ( 0.315 -2.712 1.313) 3.029 8.566 ( -1.761 0.541 -1.366) 2.294 8.611 ( 2.018 -0.339 -5.980) 6.320 11.904 ( 4.039 1.959 2.548) 5.162 12.111 ( -1.180 1.836 -0.294) 2.203 12.767 ( 0.803 -3.302 0.538) 3.441 12.817 ( 0.082 -1.070 0.241) 1.100 12.942 ( -1.261 -0.467 1.714) 2.179 12.971 ( 1.034 0.662 -1.136) 1.672 13.101 ( -0.721 -0.539 -1.162) 1.470 13.180 ( -0.626 0.071 -3.013) 3.078 13.830 ( -1.908 -2.309 4.711) 5.583 13.950 ( 1.002 1.775 -3.865) 4.369 ======================= Grid point 315 (157/192) ======================= q-point: ( 0.00 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -5.552 7.513 7.491) 11.974 1.493 ( 10.284 5.504 -2.935) 12.028 1.596 ( -0.943 1.049 7.707) 7.835 1.698 ( -2.627 1.176 -1.838) 3.415 2.023 ( 3.775 3.058 3.412) 5.937 2.112 ( -3.428 0.484 -2.604) 4.332 2.182 ( -1.092 -1.556 2.381) 3.047 2.280 ( -0.884 -1.495 -4.834) 5.137 2.507 ( 2.337 3.020 2.638) 4.641 2.541 ( -1.739 1.806 -0.683) 2.598 3.386 ( -1.790 -1.098 3.647) 4.209 3.477 ( 1.814 -0.848 -4.339) 4.779 3.889 ( -0.332 0.038 3.738) 3.753 3.985 ( 1.940 -0.954 -5.539) 5.946 5.012 ( -10.064 13.341 19.609) 25.764 5.341 ( 8.321 7.485 -7.037) 13.221 5.518 ( 8.839 3.369 2.135) 9.698 5.699 ( -8.860 -0.518 -10.671) 13.880 7.292 ( -0.925 -3.124 5.323) 6.241 7.419 ( 0.812 -1.762 -6.757) 7.030 7.828 ( -1.190 2.611 6.484) 7.090 7.952 ( 0.957 4.352 -5.441) 7.033 8.319 ( 0.124 -0.961 2.690) 2.859 8.362 ( 0.142 -2.380 -1.430) 2.780 8.541 ( -1.900 0.407 1.129) 2.247 8.594 ( 1.605 -0.016 -4.004) 4.314 12.041 ( 2.517 2.373 3.564) 4.966 12.105 ( -2.192 3.043 -2.821) 4.693 12.709 ( 1.128 -5.513 1.058) 5.726 12.729 ( -1.018 -4.997 -0.874) 5.174 12.928 ( -0.865 -0.498 1.982) 2.219 12.972 ( 0.729 -0.749 -2.373) 2.593 13.124 ( 1.274 1.903 1.271) 2.619 13.167 ( -0.521 1.873 -2.867) 3.464 13.811 ( -2.283 -0.673 6.843) 7.246 13.939 ( 1.176 -0.558 -5.694) 5.841 ======================= Grid point 316 (158/192) ======================= q-point: ( 0.11 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -6.588 8.345 1.866) 10.795 1.502 ( -1.677 3.315 -1.768) 4.114 1.677 ( 2.824 0.046 -1.916) 3.413 1.767 ( 8.167 0.789 2.121) 8.475 1.979 ( -5.891 3.532 -4.777) 8.367 2.127 ( 2.828 -0.824 3.602) 4.653 2.169 ( -2.592 -1.211 3.176) 4.275 2.255 ( 0.404 -0.759 -0.241) 0.893 2.490 ( -1.864 1.997 -1.194) 2.981 2.568 ( 1.698 1.967 0.590) 2.665 3.385 ( -0.107 -2.845 2.032) 3.498 3.507 ( 3.344 0.276 -1.482) 3.669 3.914 ( 0.920 -2.380 1.146) 2.798 4.004 ( 4.370 -0.378 -4.849) 6.538 4.983 ( -9.972 11.816 19.288) 24.720 5.392 ( 2.142 7.220 -13.928) 15.834 5.455 ( -1.870 6.306 -8.834) 11.014 5.732 ( 6.959 -1.164 7.703) 10.446 7.309 ( -2.169 -2.514 5.277) 6.235 7.385 ( 1.079 -1.001 -5.420) 5.616 7.852 ( -1.781 2.164 6.617) 7.186 7.920 ( 0.515 4.342 -5.896) 7.340 8.338 ( -0.442 -2.378 1.604) 2.903 8.354 ( 0.922 -0.780 -1.886) 2.239 8.527 ( -0.898 -0.058 1.994) 2.188 8.605 ( 2.123 1.139 -2.105) 3.199 12.014 ( -3.574 3.708 -1.818) 5.462 12.127 ( 2.571 2.214 1.393) 3.668 12.690 ( -1.249 -5.627 -0.260) 5.770 12.762 ( 2.497 -4.201 0.077) 4.888 12.936 ( -0.044 -0.591 2.145) 2.226 12.972 ( 1.170 -0.787 -1.984) 2.434 13.126 ( -1.218 1.720 -2.887) 3.575 13.154 ( 0.727 2.018 1.257) 2.486 13.807 ( -3.429 -0.241 5.410) 6.409 13.943 ( 2.913 -0.859 -3.193) 4.406 ======================= Grid point 317 (159/192) ======================= q-point: ( 0.22 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -0.484 4.736 -2.495) 5.375 1.475 ( 0.582 2.603 -1.821) 3.230 1.709 ( 1.730 -0.273 -1.458) 2.279 1.827 ( -4.670 4.125 -1.457) 6.399 1.918 ( 5.563 1.332 -1.279) 5.861 2.120 ( -2.563 -4.383 1.666) 5.344 2.225 ( 2.348 -0.936 1.948) 3.191 2.267 ( 0.387 0.519 2.770) 2.845 2.461 ( -0.518 0.942 -0.560) 1.212 2.572 ( -0.803 0.520 -1.681) 1.935 3.429 ( 3.212 -4.252 1.903) 5.659 3.557 ( 2.056 0.133 1.461) 2.526 3.939 ( 1.968 -5.189 -1.777) 5.827 4.049 ( 4.003 -1.231 -4.045) 5.822 4.962 ( -9.421 10.929 19.783) 24.487 5.241 ( -2.956 4.285 -6.605) 8.410 5.473 ( 8.870 13.450 -16.258) 22.889 5.863 ( 0.111 -4.116 7.277) 8.361 7.298 ( -2.454 -1.384 3.539) 4.524 7.374 ( 0.757 0.246 -2.261) 2.397 7.862 ( -0.767 1.703 0.069) 1.868 7.891 ( -0.287 3.989 0.059) 4.000 8.321 ( -1.367 -2.645 -0.750) 3.071 8.372 ( 1.797 0.612 -0.676) 2.015 8.535 ( -0.056 0.001 1.797) 1.797 8.629 ( 1.432 2.088 -0.515) 2.583 11.947 ( -1.990 5.612 -1.312) 6.097 12.163 ( 0.498 2.309 0.242) 2.374 12.678 ( -0.060 -4.948 0.467) 4.970 12.797 ( 1.533 -2.717 -0.908) 3.249 12.954 ( 0.400 -0.304 0.858) 0.994 12.978 ( 0.624 -0.523 -1.186) 1.439 13.088 ( -0.439 0.181 -1.557) 1.628 13.173 ( 0.440 0.919 0.886) 1.351 13.792 ( -2.230 -0.023 4.653) 5.160 13.974 ( 2.163 -0.132 -1.650) 2.724 ======================= Grid point 318 (160/192) ======================= q-point: ( 0.33 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 7.067 -1.291 -1.114) 7.270 1.492 ( 2.630 1.732 -2.269) 3.881 1.694 ( -2.683 2.233 1.398) 3.760 1.778 ( 0.404 0.611 -0.912) 1.169 1.998 ( 3.976 0.536 -1.195) 4.187 2.093 ( -1.765 -2.613 1.518) 3.500 2.239 ( -0.507 -0.725 1.208) 1.497 2.328 ( 2.730 -2.088 2.041) 3.997 2.451 ( -0.998 -1.158 0.338) 1.566 2.518 ( -2.110 -0.148 -4.345) 4.833 3.521 ( 4.377 -4.949 2.739) 7.152 3.603 ( 1.097 -0.228 3.185) 3.377 3.950 ( 0.012 -6.233 -0.434) 6.248 4.074 ( 3.479 -4.029 -6.481) 8.387 4.958 ( -8.701 11.317 20.850) 25.269 5.225 ( 5.300 5.653 -2.793) 8.237 5.489 ( 7.809 12.990 -17.907) 23.460 5.840 ( -7.626 -4.696 4.070) 9.837 7.286 ( -2.444 -0.224 4.660) 5.266 7.371 ( 1.168 1.493 -2.538) 3.168 7.844 ( 1.461 2.243 -4.513) 5.247 7.889 ( -2.615 3.497 3.843) 5.817 8.293 ( -0.750 -3.089 -0.579) 3.231 8.392 ( 0.921 -0.065 -1.518) 1.776 8.554 ( 0.773 1.562 1.518) 2.312 8.641 ( 0.062 2.723 -0.191) 2.731 11.930 ( 0.584 7.104 0.443) 7.142 12.150 ( -1.389 3.274 -1.286) 3.782 12.692 ( 0.550 -4.065 1.457) 4.353 12.803 ( 0.464 -1.276 -1.880) 2.319 12.956 ( -0.100 0.863 -1.087) 1.392 12.966 ( -0.774 -0.486 -1.175) 1.489 13.099 ( 1.481 -1.832 1.258) 2.671 13.186 ( 0.599 -0.940 0.164) 1.126 13.804 ( -1.014 0.641 5.545) 5.673 13.986 ( 0.992 0.601 -2.443) 2.705 ======================= Grid point 319 (161/192) ======================= q-point: ( 0.44 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 6.481 -3.538 1.489) 7.533 1.502 ( -1.017 0.635 -0.465) 1.286 1.688 ( 0.209 0.546 2.385) 2.455 1.778 ( 0.975 -2.962 -3.533) 4.713 2.044 ( 1.725 0.268 0.134) 1.751 2.078 ( -0.977 -0.280 0.322) 1.066 2.251 ( 0.298 0.368 3.129) 3.165 2.379 ( 1.053 -4.208 1.859) 4.719 2.402 ( -3.321 -2.598 -2.242) 4.775 2.466 ( 1.027 -0.684 -4.934) 5.086 3.591 ( -1.866 -3.650 6.838) 7.972 3.660 ( 4.399 -1.551 -1.098) 4.792 3.927 ( -4.207 -5.022 4.698) 8.062 4.084 ( 5.518 -7.165 -10.839) 14.116 4.976 ( -8.231 12.882 21.954) 26.752 5.364 ( 10.907 6.057 -4.169) 13.154 5.482 ( 6.699 9.196 -13.489) 17.646 5.668 ( -12.648 -2.460 0.821) 12.911 7.280 ( -3.123 0.288 6.162) 6.914 7.383 ( 3.429 2.591 -4.738) 6.397 7.842 ( -3.739 2.253 2.843) 5.209 7.857 ( 2.015 3.737 -3.389) 5.433 8.294 ( 0.341 -3.240 1.319) 3.515 8.377 ( -0.167 -1.922 -3.258) 3.786 8.587 ( 1.525 3.004 1.204) 3.578 8.630 ( -0.869 3.190 -0.395) 3.330 11.970 ( 2.236 7.238 2.392) 7.944 12.097 ( -2.367 4.872 -2.805) 6.100 12.716 ( 0.454 -3.227 2.160) 3.909 12.789 ( -0.054 -1.010 -2.420) 2.622 12.939 ( -0.660 0.494 -0.720) 1.094 12.947 ( -0.037 0.383 -1.407) 1.459 13.140 ( 1.178 -2.547 2.051) 3.476 13.194 ( 0.374 -2.435 -0.830) 2.600 13.836 ( -1.109 1.430 6.686) 6.927 13.974 ( 0.862 0.988 -4.173) 4.374 ======================= Grid point 320 (162/192) ======================= q-point: (-0.44 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -5.341 -1.822 0.499) 5.665 1.491 ( -0.198 -0.938 -0.730) 1.205 1.664 ( -4.367 -3.064 3.368) 6.309 1.792 ( 3.823 -2.708 -3.930) 6.115 2.047 ( -2.236 0.717 -0.440) 2.390 2.075 ( 1.183 0.245 0.688) 1.390 2.302 ( 1.474 1.247 4.687) 5.069 2.327 ( -2.042 -1.354 -2.549) 3.536 2.404 ( 0.534 -2.376 -0.141) 2.439 2.466 ( 3.092 -3.985 -4.173) 6.547 3.573 ( -5.655 -3.199 6.814) 9.415 3.704 ( 1.448 -0.875 -3.451) 3.843 3.892 ( -3.862 -5.177 6.129) 8.904 4.102 ( 5.547 -7.112 -10.496) 13.839 4.999 ( -8.869 14.686 22.267) 28.110 5.388 ( -0.793 7.364 -12.002) 14.103 5.436 ( -6.217 3.655 -6.079) 9.432 5.652 ( 12.456 -0.233 2.357) 12.679 7.270 ( -2.969 0.103 5.343) 6.113 7.418 ( 5.058 2.754 -6.287) 8.526 7.775 ( -5.338 1.961 3.933) 6.914 7.901 ( 4.323 3.950 -2.306) 6.293 8.298 ( -1.873 -2.167 1.512) 3.238 8.366 ( 2.307 -3.133 -2.723) 4.749 8.602 ( -1.363 3.062 -0.053) 3.352 8.626 ( 1.623 2.828 -0.200) 3.267 11.998 ( -3.077 5.500 0.802) 6.353 12.066 ( 3.061 6.904 -0.931) 7.610 12.736 ( -0.508 -2.820 1.929) 3.454 12.768 ( 0.159 -1.432 -2.094) 2.542 12.928 ( -0.169 0.484 0.081) 0.519 12.945 ( 0.865 0.527 -0.973) 1.405 13.161 ( -0.659 -3.189 1.114) 3.442 13.188 ( 0.275 -2.501 -1.336) 2.848 13.853 ( -2.987 1.406 6.028) 6.873 13.967 ( 2.480 1.349 -4.436) 5.258 ======================= Grid point 321 (163/192) ======================= q-point: (-0.33 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -11.721 -3.322 -1.342) 12.256 1.431 ( -5.198 2.317 4.091) 7.009 1.665 ( 0.217 -1.665 2.809) 3.273 1.822 ( 2.697 -0.604 -3.419) 4.396 1.987 ( -3.630 1.880 -0.701) 4.147 2.102 ( 1.155 -1.066 0.595) 1.681 2.285 ( -0.344 0.085 -2.762) 2.785 2.340 ( -0.786 -0.233 1.267) 1.509 2.422 ( 1.306 0.144 1.752) 2.190 2.505 ( 3.826 -3.574 -2.808) 5.941 3.507 ( -6.452 -3.168 4.917) 8.709 3.661 ( -2.907 -0.484 -2.334) 3.759 3.882 ( -1.750 -4.715 3.254) 5.990 4.107 ( 2.471 -4.671 -7.197) 8.928 5.003 ( -9.210 14.575 20.271) 26.611 5.223 ( -8.418 4.802 3.306) 10.240 5.377 ( 6.100 8.755 -17.181) 20.224 5.876 ( 9.632 -3.665 0.778) 10.335 7.259 ( -2.236 -0.772 3.971) 4.622 7.456 ( 4.808 1.612 -7.374) 8.949 7.730 ( -3.538 1.236 5.778) 6.887 7.961 ( 3.738 4.725 -2.332) 6.460 8.275 ( -0.995 -1.808 0.964) 2.278 8.390 ( 1.133 -1.596 -1.077) 2.234 8.576 ( -0.848 1.459 -0.532) 1.769 8.649 ( 1.123 1.984 -1.052) 2.510 11.938 ( -2.476 5.979 -0.385) 6.483 12.128 ( 2.777 5.210 0.771) 5.954 12.717 ( -1.482 -3.394 -0.655) 3.761 12.773 ( 0.435 -1.727 0.641) 1.893 12.935 ( 0.383 0.633 0.697) 1.016 12.958 ( 0.994 0.208 -0.302) 1.059 13.134 ( -1.535 -3.469 -1.589) 4.113 13.188 ( 0.194 -1.541 -0.266) 1.576 13.829 ( -3.274 0.472 3.471) 4.795 13.987 ( 2.361 1.630 -2.861) 4.052 ======================= Grid point 322 (164/192) ======================= q-point: (-0.22 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -4.149 3.948 6.736) 8.842 1.391 ( -3.631 2.502 6.057) 7.492 1.671 ( -1.943 0.141 1.702) 2.586 1.844 ( 1.499 1.119 -1.550) 2.429 1.915 ( -2.459 3.793 -1.780) 4.859 2.123 ( 0.325 -2.623 1.143) 2.880 2.264 ( -0.450 -0.415 -2.011) 2.103 2.321 ( 0.064 0.489 -1.864) 1.928 2.451 ( 0.284 1.004 0.685) 1.248 2.549 ( 2.008 -1.085 -0.198) 2.291 3.432 ( -4.958 -2.378 3.299) 6.412 3.584 ( -3.360 -1.145 -2.103) 4.126 3.874 ( -1.662 -2.478 2.690) 4.018 4.074 ( -0.696 -2.243 -4.868) 5.405 5.009 ( -6.891 12.764 18.895) 23.821 5.159 ( -3.127 6.122 6.388) 9.384 5.368 ( 7.155 8.918 -15.393) 19.175 5.981 ( 2.803 -4.696 -3.721) 6.615 7.255 ( -1.432 -2.048 3.650) 4.423 7.469 ( 3.085 -0.225 -7.324) 7.950 7.741 ( -0.935 1.558 6.638) 6.882 7.986 ( 1.863 4.387 -3.987) 6.214 8.284 ( 0.318 -0.429 2.118) 2.184 8.382 ( -0.778 -0.586 -0.943) 1.355 8.566 ( 0.237 -0.560 -0.876) 1.066 8.646 ( -0.040 1.196 -2.279) 2.574 11.919 ( 0.143 5.278 1.235) 5.423 12.166 ( 0.974 3.678 -0.054) 3.805 12.688 ( -1.003 -4.327 -0.441) 4.464 12.780 ( -0.449 -2.785 0.688) 2.903 12.941 ( -0.622 -0.248 1.143) 1.325 12.976 ( 1.085 0.873 -0.315) 1.428 13.097 ( -0.670 -2.445 -1.862) 3.146 13.190 ( 0.483 -0.347 -0.835) 1.025 13.802 ( -2.459 -0.409 3.225) 4.076 13.995 ( 1.054 1.231 -3.242) 3.624 ======================= Grid point 323 (165/192) ======================= q-point: (-0.11 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 8.783 7.351 9.989) 15.197 1.393 ( -2.183 4.381 6.888) 8.450 1.628 ( -3.818 1.069 1.633) 4.288 1.791 ( -5.176 2.345 -0.731) 5.729 1.933 ( 4.196 4.237 -0.327) 5.972 2.135 ( -0.756 -3.121 3.036) 4.420 2.221 ( -1.675 0.113 -3.473) 3.857 2.320 ( 1.239 0.010 -4.074) 4.259 2.457 ( 0.414 1.953 1.618) 2.570 2.565 ( -0.542 0.821 0.679) 1.195 3.391 ( -2.261 -1.231 2.979) 3.938 3.513 ( -1.973 -1.412 -3.136) 3.965 3.872 ( -1.108 -0.361 3.453) 3.644 4.019 ( -0.829 -1.191 -4.615) 4.838 5.028 ( -8.835 13.867 20.184) 26.033 5.219 ( 4.529 3.883 4.930) 7.739 5.398 ( 8.696 8.509 -12.176) 17.213 5.912 ( -4.895 -3.317 -8.321) 10.208 7.267 ( -0.751 -3.007 4.343) 5.336 7.454 ( 1.515 -1.493 -6.893) 7.214 7.788 ( -0.103 2.226 6.505) 6.876 7.975 ( 1.090 4.139 -5.016) 6.594 8.302 ( -0.412 0.488 2.444) 2.526 8.366 ( -0.004 -2.001 -0.591) 2.086 8.562 ( -0.302 -0.638 -0.593) 0.922 8.615 ( -0.386 0.464 -3.617) 3.667 11.962 ( 2.525 3.833 2.880) 5.418 12.159 ( -1.211 2.827 -1.419) 3.387 12.682 ( 0.476 -5.072 0.407) 5.110 12.764 ( -1.574 -4.346 -0.036) 4.622 12.934 ( -1.232 -0.459 1.576) 2.052 12.981 ( 0.418 -0.113 -1.861) 1.911 13.094 ( 1.112 0.220 0.067) 1.135 13.188 ( 0.336 1.016 -1.914) 2.193 13.797 ( -1.663 -0.916 4.832) 5.192 13.973 ( 0.148 0.426 -4.619) 4.641 ======================= Grid point 324 (166/192) ======================= q-point: ( 0.00 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -0.354 5.390 7.600) 9.324 1.600 ( -1.766 2.940 -0.909) 3.548 1.628 ( 7.110 3.700 2.379) 8.361 1.722 ( -3.793 0.776 -4.069) 5.617 2.072 ( 2.339 2.983 0.948) 3.907 2.122 ( -0.943 0.941 -2.803) 3.104 2.185 ( -1.719 1.850 4.094) 4.810 2.276 ( -1.134 0.585 -3.653) 3.870 2.563 ( 2.754 2.269 1.676) 3.943 2.569 ( -2.456 1.353 1.212) 3.055 3.361 ( -2.052 -1.376 2.163) 3.284 3.455 ( 4.305 -1.498 -6.184) 7.683 3.908 ( -1.622 1.765 2.510) 3.471 3.979 ( 2.492 0.339 -4.683) 5.316 5.275 ( -9.437 12.260 17.438) 23.312 5.452 ( 5.493 3.648 8.248) 10.560 5.613 ( 5.327 5.497 -9.732) 12.381 5.692 ( -3.816 0.076 -9.460) 10.201 7.250 ( -1.248 -1.046 6.674) 6.870 7.386 ( 0.943 -1.671 -5.789) 6.099 7.838 ( -1.172 -1.419 6.021) 6.296 7.980 ( 2.093 -1.876 -7.048) 7.588 8.330 ( -1.232 2.092 1.171) 2.696 8.358 ( 1.219 2.293 -1.494) 2.996 8.540 ( -2.156 -0.620 1.838) 2.900 8.590 ( 1.711 -0.499 -3.072) 3.552 12.100 ( 0.670 3.595 3.911) 5.354 12.176 ( -0.585 3.981 -3.506) 5.337 12.580 ( -0.773 -7.199 1.808) 7.463 12.618 ( 0.883 -6.068 -1.871) 6.411 12.915 ( -0.819 -0.740 1.434) 1.810 12.946 ( 0.584 -1.654 -1.663) 2.417 13.174 ( 1.760 2.990 1.545) 3.798 13.215 ( -0.309 2.729 -2.356) 3.619 13.804 ( -1.710 -0.073 5.803) 6.050 13.917 ( 0.343 -1.625 -5.291) 5.545 ======================= Grid point 325 (167/192) ======================= q-point: ( 0.11 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -7.005 7.542 -0.567) 10.309 1.558 ( -2.841 1.496 -1.091) 3.391 1.681 ( 2.231 0.196 -1.159) 2.522 1.784 ( 6.520 0.519 1.771) 6.776 2.034 ( -4.315 1.926 -2.899) 5.544 2.098 ( -0.969 1.791 1.202) 2.365 2.205 ( -0.046 2.208 1.802) 2.850 2.260 ( 0.679 1.083 1.253) 1.790 2.519 ( -3.060 0.959 -0.246) 3.216 2.603 ( 0.359 1.403 0.566) 1.554 3.342 ( -0.415 -1.362 0.474) 1.501 3.505 ( 5.030 -0.775 -4.222) 6.613 3.876 ( -2.101 -0.834 -0.085) 2.262 4.011 ( 3.208 0.516 -2.794) 4.286 5.224 ( -10.203 11.767 16.125) 22.418 5.470 ( -5.609 3.378 -9.097) 11.208 5.608 ( 5.053 4.311 3.856) 7.681 5.723 ( 7.052 1.686 -4.955) 8.782 7.280 ( -1.428 -0.285 6.289) 6.455 7.373 ( 2.945 -0.304 -5.872) 6.576 7.847 ( -2.890 -2.342 6.233) 7.259 7.951 ( 1.287 -1.550 -7.644) 7.905 8.325 ( -0.527 1.237 0.804) 1.566 8.382 ( 2.435 3.540 -0.999) 4.411 8.519 ( -1.286 -0.922 2.016) 2.563 8.619 ( 2.923 0.160 -1.560) 3.317 12.098 ( -1.958 4.586 0.139) 4.989 12.184 ( 2.391 3.595 -0.236) 4.324 12.564 ( -1.067 -6.790 0.904) 6.933 12.658 ( 3.585 -6.100 -1.089) 7.159 12.918 ( -0.139 -1.047 1.631) 1.943 12.949 ( 0.976 -1.419 -1.246) 2.126 13.175 ( -1.376 3.028 -3.465) 4.803 13.206 ( 0.602 2.940 0.726) 3.087 13.803 ( -2.728 -0.057 4.372) 5.154 13.919 ( 2.787 -1.593 -1.817) 3.689 ======================= Grid point 326 (168/192) ======================= q-point: ( 0.22 0.30 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -5.178 5.071 -4.669) 8.621 1.512 ( -0.574 0.746 -2.015) 2.223 1.710 ( 1.416 0.423 -1.380) 2.022 1.878 ( 1.167 -0.020 0.626) 1.325 1.962 ( -0.582 3.080 0.009) 3.134 2.070 ( -2.149 0.814 0.990) 2.502 2.222 ( 0.738 0.642 0.635) 1.166 2.282 ( -0.295 0.997 2.339) 2.560 2.466 ( -2.588 -0.505 -0.139) 2.641 2.585 ( -1.905 0.586 -0.974) 2.218 3.368 ( 2.904 -1.598 0.606) 3.370 3.559 ( 3.185 -0.286 -1.016) 3.356 3.841 ( -0.276 -3.808 -3.143) 4.946 4.031 ( 0.827 -1.212 -1.923) 2.419 5.179 ( -8.677 10.185 16.048) 20.894 5.344 ( -0.826 5.932 -6.098) 8.547 5.691 ( 4.160 6.349 -4.183) 8.667 5.786 ( 1.309 -1.916 -0.116) 2.323 7.296 ( -1.602 1.281 5.170) 5.562 7.394 ( 3.683 1.787 -4.821) 6.325 7.840 ( -2.290 -3.673 3.879) 5.812 7.918 ( 0.989 -1.667 -4.914) 5.283 8.312 ( -1.201 1.771 -0.268) 2.157 8.415 ( 1.391 3.442 -0.843) 3.807 8.534 ( 1.374 -0.108 1.823) 2.286 8.659 ( 2.283 0.813 -0.770) 2.543 12.073 ( -0.314 6.776 -0.370) 6.793 12.218 ( 1.123 3.285 -0.045) 3.472 12.567 ( 0.356 -6.040 1.560) 6.249 12.711 ( 3.220 -5.708 -1.607) 6.747 12.932 ( 0.442 -1.436 0.870) 1.736 12.960 ( 0.790 -1.364 -0.163) 1.585 13.121 ( -1.232 2.820 -3.505) 4.664 13.207 ( -0.454 2.238 -0.478) 2.333 13.798 ( -1.176 0.680 3.979) 4.204 13.963 ( 2.282 -1.054 0.092) 2.515 ======================= Grid point 327 (169/192) ======================= q-point: ( 0.33 0.30 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 1.621 -0.317 -3.709) 4.060 1.499 ( 0.362 -1.306 -1.751) 2.214 1.709 ( 0.524 0.511 -2.502) 2.607 1.843 ( -2.863 4.027 -0.599) 4.977 2.000 ( 2.252 0.264 0.066) 2.268 2.060 ( -0.307 -0.287 2.554) 2.589 2.238 ( 0.360 -0.083 1.145) 1.203 2.292 ( -0.243 -0.697 1.768) 1.916 2.411 ( -3.722 -2.423 0.040) 4.442 2.533 ( -1.752 1.015 -2.931) 3.563 3.449 ( 4.459 -2.010 1.878) 5.239 3.605 ( 1.140 0.416 2.639) 2.905 3.820 ( 1.883 -6.115 -5.110) 8.188 4.006 ( -1.415 -3.533 -2.804) 4.727 5.172 ( -6.426 9.529 17.068) 20.577 5.349 ( 4.914 6.520 -2.538) 8.550 5.695 ( 1.105 5.412 -6.555) 8.572 5.756 ( -3.382 -1.359 -2.215) 4.265 7.308 ( -2.279 2.545 6.417) 7.270 7.423 ( 4.138 3.824 -5.625) 7.962 7.831 ( -0.497 -3.767 0.821) 3.887 7.910 ( 0.364 -1.827 -1.217) 2.225 8.281 ( -1.354 2.040 -0.948) 2.626 8.407 ( -1.001 1.441 -1.861) 2.558 8.588 ( 2.732 1.895 1.455) 3.629 8.683 ( 0.990 1.460 -0.677) 1.890 12.083 ( 1.164 7.829 0.704) 7.946 12.222 ( -0.082 4.021 -1.104) 4.170 12.597 ( 0.925 -5.235 2.746) 5.984 12.743 ( 2.052 -4.609 -2.452) 5.609 12.941 ( 0.287 -1.366 -0.474) 1.474 12.966 ( -0.426 -0.745 0.203) 0.882 13.092 ( 0.706 1.420 -1.834) 2.425 13.187 ( -0.858 0.913 -1.245) 1.766 13.825 ( 0.122 1.585 5.053) 5.297 13.992 ( 1.064 -0.239 -0.772) 1.336 ======================= Grid point 328 (170/192) ======================= q-point: ( 0.44 0.30 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 5.972 -5.127 0.337) 7.879 1.468 ( -2.868 -4.384 -2.136) 5.658 1.712 ( 2.089 1.317 -1.822) 3.069 1.777 ( -3.282 3.258 -2.263) 5.148 2.034 ( 1.533 -0.345 0.962) 1.843 2.078 ( 0.079 0.311 0.487) 0.583 2.254 ( 0.253 -2.768 1.581) 3.198 2.313 ( 0.431 0.166 4.263) 4.288 2.346 ( -2.012 -2.524 -1.716) 3.655 2.478 ( -1.010 1.400 -4.628) 4.940 3.532 ( 0.070 -1.724 5.831) 6.081 3.639 ( 2.293 -0.455 -0.751) 2.456 3.830 ( 0.615 -4.936 -0.209) 4.979 3.952 ( 1.068 -6.425 -7.640) 10.040 5.213 ( -5.150 10.301 19.007) 22.224 5.464 ( 8.264 4.295 -0.189) 9.315 5.614 ( -9.279 -0.460 3.305) 9.861 5.661 ( 2.261 5.674 -15.535) 16.693 7.311 ( -3.572 3.092 7.688) 9.023 7.457 ( 5.204 4.880 -7.421) 10.294 7.832 ( -2.919 -3.585 4.825) 6.682 7.903 ( 2.163 -0.025 -4.448) 4.947 8.268 ( 0.679 0.925 0.124) 1.154 8.356 ( -2.093 0.013 -3.108) 3.747 8.642 ( 1.919 2.458 1.039) 3.287 8.684 ( -0.320 2.108 -0.673) 2.236 12.116 ( 0.528 6.937 2.627) 7.437 12.202 ( 0.064 5.608 -2.939) 6.332 12.638 ( 0.535 -4.437 3.705) 5.805 12.745 ( 0.690 -3.446 -3.367) 4.867 12.937 ( -0.216 -0.509 -0.291) 0.625 12.953 ( -0.342 -0.313 -0.760) 0.890 13.109 ( 1.325 -0.199 0.183) 1.353 13.161 ( -0.681 -0.610 -1.704) 1.934 13.872 ( -0.277 2.121 6.054) 6.421 13.991 ( 0.687 0.522 -2.789) 2.919 ======================= Grid point 329 (171/192) ======================= q-point: (-0.44 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -6.975 -6.163 -1.695) 9.461 1.436 ( 4.316 -4.774 0.407) 6.449 1.679 ( -4.218 3.889 0.738) 5.785 1.772 ( 4.015 0.832 -1.675) 4.429 2.055 ( -0.782 0.362 -0.309) 0.916 2.081 ( 1.475 0.424 -0.573) 1.638 2.272 ( -0.585 -3.203 1.865) 3.752 2.327 ( 2.426 -3.343 -2.653) 4.909 2.373 ( 1.658 2.007 5.168) 5.787 2.426 ( -0.072 0.932 -5.285) 5.367 3.520 ( -5.769 -1.692 6.183) 8.624 3.685 ( 3.356 -0.691 -3.994) 5.262 3.795 ( -3.660 -4.784 1.471) 6.201 3.968 ( 6.649 -6.493 -7.891) 12.192 5.266 ( -6.595 11.355 19.187) 23.250 5.447 ( -10.637 1.660 4.005) 11.486 5.571 ( 4.572 6.505 -13.813) 15.938 5.654 ( 8.727 0.557 -1.438) 8.862 7.299 ( -4.295 3.008 7.178) 8.890 7.490 ( 5.400 4.574 -8.950) 11.410 7.775 ( -6.764 -2.437 5.716) 9.185 7.947 ( 5.362 -0.172 -3.901) 6.633 8.284 ( -1.308 0.891 -0.531) 1.669 8.321 ( 2.575 -0.857 -0.735) 2.812 8.658 ( -1.714 2.402 -0.330) 2.969 8.674 ( 0.609 1.854 0.160) 1.959 12.115 ( -3.148 5.951 2.606) 7.219 12.203 ( 2.671 6.447 -2.838) 7.533 12.665 ( -1.155 -4.138 3.454) 5.512 12.721 ( 0.099 -3.289 -3.428) 4.752 12.933 ( -0.257 -0.170 0.391) 0.498 12.950 ( 0.722 -0.272 -0.791) 1.105 13.114 ( -1.464 -1.082 0.169) 1.828 13.152 ( 1.459 -0.825 -1.244) 2.088 13.890 ( -2.962 2.234 5.016) 6.239 13.990 ( 2.261 0.795 -3.388) 4.150 ======================= Grid point 330 (172/192) ======================= q-point: (-0.33 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -5.459 -1.631 0.365) 5.709 1.470 ( -1.130 0.287 1.071) 1.583 1.660 ( 0.704 1.839 1.967) 2.783 1.832 ( 3.012 1.386 -0.015) 3.315 2.026 ( -0.971 2.075 -2.069) 3.086 2.095 ( 0.456 0.166 -0.788) 0.925 2.262 ( -0.541 -2.709 -0.618) 2.831 2.345 ( 0.689 0.251 -3.264) 3.345 2.422 ( 3.072 -2.052 -1.056) 3.842 2.454 ( 2.924 1.525 3.861) 5.077 3.450 ( -5.512 -2.113 3.135) 6.684 3.639 ( -4.735 -2.106 -1.350) 5.356 3.796 ( 3.621 -3.331 -3.305) 5.927 4.023 ( 4.079 -4.061 -4.231) 7.143 5.243 ( -8.537 8.619 10.436) 16.002 5.339 ( -6.675 6.458 9.538) 13.312 5.551 ( 4.551 8.534 -10.178) 14.040 5.807 ( 7.610 -2.897 -0.921) 8.195 7.272 ( -4.400 2.189 6.018) 7.770 7.499 ( 3.307 3.006 -9.168) 10.199 7.720 ( -4.083 -2.523 6.785) 8.311 7.999 ( 3.545 -1.928 -4.747) 6.230 8.271 ( 1.021 2.073 -0.032) 2.311 8.378 ( 2.328 0.551 0.936) 2.569 8.611 ( -2.677 1.768 -0.724) 3.289 8.677 ( -0.339 0.800 -0.156) 0.883 12.070 ( -3.124 6.917 1.634) 7.764 12.231 ( 1.936 4.836 -1.620) 5.455 12.640 ( -2.588 -4.286 -0.084) 5.008 12.707 ( -0.475 -4.756 -0.160) 4.782 12.932 ( -0.270 -0.745 0.434) 0.903 12.966 ( 1.179 -0.101 -0.093) 1.187 13.082 ( -1.295 -0.856 -0.521) 1.637 13.175 ( 1.480 0.121 -0.221) 1.501 13.856 ( -3.475 2.064 2.293) 4.647 14.007 ( 1.688 0.356 -2.402) 2.958 ======================= Grid point 331 (173/192) ======================= q-point: (-0.22 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 3.231 5.409 6.037) 8.726 1.459 ( -0.743 3.375 2.509) 4.271 1.686 ( -0.042 1.458 0.850) 1.688 1.870 ( 0.277 1.067 0.593) 1.252 1.997 ( 0.444 4.188 -2.743) 5.026 2.092 ( 0.132 -0.326 -0.423) 0.550 2.246 ( -0.406 -1.380 -1.297) 1.937 2.335 ( 1.430 1.079 -3.323) 3.775 2.462 ( 1.444 -0.326 0.268) 1.505 2.536 ( 2.308 0.581 3.438) 4.181 3.386 ( -3.047 -1.920 1.071) 3.758 3.543 ( -3.977 -3.080 -1.901) 5.377 3.839 ( 3.476 -0.771 -2.481) 4.340 4.037 ( 0.497 -1.682 -2.552) 3.097 5.200 ( -3.810 7.091 9.447) 12.412 5.318 ( -4.492 7.918 9.901) 13.450 5.563 ( 3.655 10.269 -6.628) 12.757 5.888 ( 3.059 -4.274 -4.127) 6.682 7.241 ( -3.809 0.797 5.624) 6.839 7.468 ( 0.551 0.196 -6.652) 6.677 7.737 ( -0.146 -1.798 6.114) 6.375 8.003 ( 2.074 -3.185 -5.911) 7.028 8.307 ( 2.134 3.182 0.286) 3.842 8.401 ( -0.654 2.349 0.554) 2.501 8.562 ( -1.532 0.032 -0.838) 1.746 8.659 ( -1.296 -0.029 -0.895) 1.575 12.041 ( -1.486 6.774 2.234) 7.286 12.240 ( 0.510 3.618 -1.799) 4.073 12.592 ( -2.027 -5.130 -0.422) 5.532 12.688 ( -1.735 -6.203 0.218) 6.445 12.929 ( -0.596 -0.890 0.648) 1.252 12.974 ( -0.209 -1.581 -0.819) 1.793 13.079 ( 1.234 1.424 0.517) 1.954 13.201 ( 1.465 1.128 -0.031) 1.849 13.814 ( -2.715 1.543 1.902) 3.657 14.003 ( 0.191 -0.466 -3.195) 3.235 ======================= Grid point 332 (174/192) ======================= q-point: (-0.11 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 7.034 6.011 9.424) 13.207 1.496 ( 3.325 5.176 1.639) 6.367 1.663 ( -2.869 2.360 0.455) 3.743 1.827 ( -4.091 0.699 -1.856) 4.547 2.018 ( 3.109 4.338 -0.873) 5.409 2.105 ( 0.858 0.450 1.607) 1.877 2.221 ( -1.216 0.257 -1.919) 2.286 2.325 ( -0.155 0.433 -3.791) 3.819 2.497 ( 2.246 1.862 1.645) 3.349 2.580 ( -0.311 0.942 2.742) 2.916 3.364 ( -0.415 -1.362 0.972) 1.724 3.471 ( -1.353 -2.777 -3.641) 4.774 3.883 ( 2.536 1.283 -0.380) 2.868 4.007 ( -1.227 -0.060 -2.592) 2.868 5.254 ( -1.648 7.412 13.781) 15.735 5.334 ( -1.988 7.945 10.269) 13.135 5.577 ( 5.136 9.129 -8.986) 13.801 5.844 ( -2.783 -3.263 -7.589) 8.717 7.231 ( -2.395 -0.578 6.099) 6.578 7.423 ( -0.036 -1.540 -5.395) 5.610 7.793 ( 0.666 -1.395 5.762) 5.965 7.992 ( 2.214 -2.679 -6.324) 7.216 8.336 ( 0.900 2.923 -0.274) 3.071 8.371 ( -2.178 2.651 0.070) 3.432 8.547 ( 0.072 -0.896 -0.256) 0.935 8.618 ( -1.733 -0.393 -1.936) 2.628 12.055 ( 0.523 5.409 3.215) 6.314 12.219 ( -0.904 3.193 -2.566) 4.195 12.570 ( -0.326 -6.010 0.515) 6.041 12.650 ( -2.149 -6.816 -0.540) 7.168 12.921 ( -0.922 -0.726 1.043) 1.570 12.956 ( -0.253 -1.963 -1.631) 2.564 13.123 ( 2.318 2.593 1.505) 3.790 13.221 ( 0.942 2.028 -0.818) 2.380 13.794 ( -1.691 0.658 3.426) 3.877 13.966 ( -0.740 -1.195 -4.526) 4.739 ======================= Grid point 333 (175/192) ======================= q-point: ( 0.00 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 0.808 1.734 5.987) 6.285 1.659 ( -0.645 2.132 -1.219) 2.539 1.666 ( 1.189 -0.160 0.537) 1.315 1.719 ( -1.142 -0.821 -4.113) 4.346 2.147 ( 0.568 3.274 0.231) 3.331 2.162 ( 0.459 2.595 -0.863) 2.773 2.234 ( -0.672 2.665 3.514) 4.460 2.287 ( -1.533 0.319 -1.543) 2.199 2.590 ( -1.709 1.552 2.719) 3.567 2.610 ( 0.580 1.773 0.939) 2.088 3.338 ( -0.143 -0.500 -0.769) 0.928 3.411 ( 5.372 -2.819 -7.212) 9.424 3.951 ( -1.956 2.318 1.095) 3.225 3.991 ( 2.102 0.484 -2.906) 3.619 5.465 ( -3.540 5.817 13.923) 15.499 5.506 ( -1.252 2.145 11.639) 11.901 5.687 ( -3.164 2.396 -8.860) 9.708 5.727 ( 5.016 2.665 -9.557) 11.117 7.252 ( -1.263 1.203 6.521) 6.750 7.347 ( -0.001 -2.379 -1.541) 2.834 7.804 ( 0.346 -0.991 1.365) 1.722 7.903 ( 2.739 -4.839 -6.948) 8.899 8.390 ( -2.553 3.490 1.715) 4.652 8.430 ( 2.056 4.063 -2.065) 5.000 8.516 ( -2.522 -1.696 2.392) 3.868 8.569 ( 2.046 -1.764 -2.729) 3.840 12.185 ( -1.011 4.920 3.893) 6.355 12.264 ( 1.082 4.877 -3.831) 6.296 12.433 ( -1.834 -7.278 2.774) 8.002 12.493 ( 2.063 -6.341 -3.015) 7.318 12.902 ( -0.575 -0.426 0.725) 1.018 12.916 ( 0.341 -1.218 -0.611) 1.405 13.235 ( 1.692 2.758 1.283) 3.481 13.263 ( 0.191 1.696 -1.387) 2.200 13.810 ( -1.393 0.697 3.210) 3.568 13.877 ( -0.450 -2.263 -3.393) 4.103 ======================= Grid point 334 (176/192) ======================= q-point: ( 0.11 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -6.533 0.765 -1.254) 6.696 1.570 ( -4.373 0.708 0.074) 4.430 1.693 ( 2.848 1.410 0.202) 3.184 1.772 ( 4.026 -1.557 0.565) 4.353 2.093 ( -4.341 4.031 0.560) 5.950 2.162 ( -0.944 2.305 -1.323) 2.821 2.245 ( -0.330 2.048 0.491) 2.132 2.286 ( 0.874 1.100 1.991) 2.436 2.541 ( -4.503 1.706 1.329) 4.995 2.618 ( -1.514 -0.146 1.333) 2.023 3.336 ( 1.808 1.019 -2.709) 3.412 3.464 ( 6.357 -3.368 -7.242) 10.208 3.894 ( -4.164 2.593 0.464) 4.927 4.007 ( 0.740 -1.230 -1.547) 2.110 5.419 ( -9.626 6.901 11.353) 16.406 5.539 ( -4.171 1.948 -3.941) 6.060 5.631 ( 1.899 2.370 7.148) 7.766 5.778 ( 6.909 1.213 -7.642) 10.374 7.296 ( 0.269 1.675 5.963) 6.200 7.365 ( 3.886 -0.774 -2.689) 4.788 7.795 ( -2.434 -1.828 1.523) 3.404 7.880 ( 1.421 -4.637 -7.890) 9.261 8.373 ( -1.016 3.095 1.819) 3.730 8.473 ( 3.666 4.858 -1.360) 6.236 8.488 ( -1.799 -2.086 2.408) 3.659 8.607 ( 3.536 -1.418 -1.623) 4.141 12.193 ( -0.915 4.979 2.890) 5.829 12.273 ( 2.752 5.339 -3.064) 6.743 12.427 ( -0.847 -6.758 2.383) 7.216 12.527 ( 3.893 -6.816 -2.771) 8.324 12.902 ( -0.085 -0.414 0.843) 0.943 12.921 ( 0.647 -1.247 -0.401) 1.461 13.235 ( -1.087 2.699 -3.094) 4.247 13.258 ( 0.339 1.938 -0.313) 1.992 13.808 ( -1.429 0.716 3.202) 3.579 13.879 ( 2.030 -2.252 0.090) 3.033 ======================= Grid point 335 (177/192) ======================= q-point: ( 0.22 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -7.263 2.684 -4.045) 8.736 1.502 ( -3.339 -1.730 -0.664) 3.819 1.733 ( 1.505 2.060 -0.279) 2.566 1.843 ( 2.433 -2.687 1.880) 4.083 2.035 ( -2.843 4.294 2.229) 5.611 2.118 ( -2.008 1.844 -1.460) 3.093 2.242 ( -0.144 1.370 -0.931) 1.662 2.302 ( -0.800 0.294 1.274) 1.533 2.465 ( -4.663 1.411 1.240) 5.027 2.582 ( -3.017 -1.293 0.912) 3.407 3.370 ( 4.362 1.800 -2.797) 5.486 3.524 ( 6.129 -3.545 -5.971) 9.262 3.818 ( -4.162 1.909 -0.282) 4.587 3.985 ( -2.067 -3.575 -0.953) 4.239 5.344 ( -7.292 6.281 9.918) 13.819 5.454 ( -1.433 3.333 -2.902) 4.646 5.703 ( -1.082 0.965 7.380) 7.521 5.825 ( 4.420 1.035 -7.533) 8.795 7.347 ( 0.213 3.615 5.706) 6.758 7.435 ( 6.160 1.602 -3.597) 7.311 7.754 ( -3.250 -3.581 1.859) 5.181 7.842 ( 1.504 -5.155 -7.321) 9.079 8.369 ( -1.023 3.327 1.051) 3.636 8.465 ( -1.544 0.087 0.557) 1.644 8.553 ( 4.558 2.879 0.163) 5.393 8.659 ( 3.170 -0.928 -1.277) 3.541 12.205 ( 0.031 6.140 2.185) 6.518 12.300 ( 2.525 5.071 -2.993) 6.407 12.446 ( 0.611 -5.836 3.095) 6.635 12.580 ( 4.282 -7.101 -2.821) 8.759 12.911 ( 0.290 -0.582 0.583) 0.873 12.931 ( 0.545 -1.358 0.080) 1.465 13.184 ( -1.304 3.164 -3.703) 5.042 13.243 ( -0.891 0.912 -1.852) 2.249 13.823 ( 0.125 1.990 3.798) 4.290 13.929 ( 2.103 -2.339 1.785) 3.616 ======================= Grid point 336 (178/192) ======================= q-point: ( 0.33 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -3.594 1.690 -3.879) 5.551 1.434 ( -3.407 -4.947 -1.510) 6.193 1.747 ( 0.832 3.253 -0.864) 3.467 1.874 ( -0.318 -1.209 0.527) 1.357 2.027 ( -0.308 2.598 2.148) 3.385 2.084 ( -0.683 1.782 -0.040) 1.909 2.218 ( -1.233 -0.898 -1.891) 2.430 2.287 ( -1.312 -1.799 0.498) 2.282 2.402 ( -3.371 2.815 2.225) 4.923 2.537 ( -2.100 -1.022 -0.231) 2.347 3.447 ( 5.837 1.825 -1.590) 6.319 3.597 ( 5.587 -2.546 -2.396) 6.591 3.744 ( -2.692 -0.124 -2.346) 3.573 3.919 ( -4.251 -5.275 -1.073) 6.859 5.326 ( -4.027 5.963 11.485) 13.553 5.446 ( 1.449 1.733 0.632) 2.346 5.703 ( -3.841 1.927 4.180) 5.994 5.811 ( 1.514 1.282 -9.506) 9.711 7.389 ( -1.387 5.484 7.096) 9.075 7.518 ( 6.803 4.975 -5.798) 10.230 7.718 ( -2.699 -6.224 3.394) 7.586 7.829 ( 3.040 -5.757 -6.254) 9.028 8.346 ( -1.885 3.649 -0.156) 4.110 8.429 ( -2.348 0.223 -0.990) 2.558 8.631 ( 3.678 2.395 0.271) 4.397 8.697 ( 2.050 -0.172 -1.222) 2.393 12.225 ( 0.004 6.062 2.376) 6.511 12.312 ( 1.645 4.542 -3.605) 6.027 12.496 ( 1.648 -4.136 4.026) 6.002 12.631 ( 3.648 -6.309 -2.901) 7.844 12.918 ( 0.207 -0.712 0.066) 0.745 12.939 ( -0.021 -1.521 0.438) 1.583 13.140 ( -0.252 2.884 -3.077) 4.225 13.205 ( -1.321 0.326 -2.391) 2.751 13.868 ( 0.922 2.654 4.486) 5.293 13.972 ( 1.229 -1.724 1.162) 2.415 ======================= Grid point 337 (179/192) ======================= q-point: ( 0.44 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 2.245 -2.661 -1.067) 3.642 1.347 ( -4.204 -6.804 -2.917) 8.513 1.762 ( 1.413 3.553 0.057) 3.824 1.841 ( -2.401 1.826 -1.641) 3.434 2.045 ( 0.782 1.279 1.113) 1.867 2.086 ( 0.118 0.295 0.010) 0.318 2.190 ( -0.151 -1.983 0.189) 1.998 2.263 ( -0.886 -3.693 -1.734) 4.175 2.393 ( -0.307 4.391 3.777) 5.800 2.500 ( -1.149 0.242 -1.833) 2.177 3.536 ( 2.620 2.318 1.935) 3.997 3.648 ( -0.181 1.364 0.050) 1.377 3.729 ( 5.989 -5.081 -5.133) 9.382 3.820 ( -4.486 -6.636 -2.794) 8.483 5.374 ( -2.443 5.856 14.428) 15.762 5.501 ( 0.921 -0.913 5.304) 5.461 5.642 ( -3.215 4.062 -1.011) 5.278 5.740 ( 0.521 1.504 -11.695) 11.803 7.405 ( -3.600 6.255 8.393) 11.070 7.576 ( 5.843 6.856 -8.907) 12.668 7.714 ( -3.049 -7.548 7.391) 10.995 7.848 ( 4.880 -5.113 -7.339) 10.189 8.313 ( -0.856 2.883 -0.142) 3.011 8.367 ( -2.844 0.524 -1.945) 3.485 8.684 ( 1.761 1.708 0.309) 2.472 8.711 ( 0.451 0.618 -0.942) 1.214 12.237 ( -1.204 5.169 3.100) 6.147 12.308 ( 1.444 4.096 -3.907) 5.842 12.557 ( 1.055 -2.868 4.114) 5.125 12.658 ( 1.914 -4.911 -3.357) 6.249 12.922 ( 0.230 -0.753 0.095) 0.793 12.935 ( -0.600 -1.207 0.122) 1.353 13.129 ( 0.849 1.684 -1.593) 2.468 13.163 ( -1.141 0.314 -2.256) 2.548 13.918 ( 0.290 2.428 4.638) 5.243 13.990 ( 0.553 -0.688 -0.506) 1.017 ======================= Grid point 338 (180/192) ======================= q-point: (-0.44 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -3.291 -3.738 -1.219) 5.128 1.319 ( 5.602 -6.223 -0.764) 8.407 1.770 ( -2.444 4.365 0.016) 5.003 1.811 ( 2.008 2.303 0.169) 3.060 2.066 ( 0.441 0.827 0.209) 0.960 2.089 ( 1.482 0.188 -1.544) 2.148 2.211 ( 0.169 -2.461 0.895) 2.624 2.240 ( 1.583 -3.957 -1.999) 4.707 2.437 ( 1.385 3.273 4.035) 5.377 2.467 ( -0.241 2.178 -3.038) 3.746 3.517 ( -5.780 1.597 3.567) 6.977 3.683 ( -2.466 -1.539 -0.521) 2.953 3.699 ( 2.821 -2.723 -5.330) 6.616 3.841 ( 7.576 -5.997 -4.309) 10.580 5.434 ( -5.220 5.296 14.390) 16.198 5.476 ( -7.771 1.202 6.578) 10.252 5.661 ( 5.854 2.430 -4.054) 7.524 5.679 ( 4.047 1.845 -9.147) 10.171 7.391 ( -5.258 6.125 8.320) 11.593 7.600 ( 5.223 6.033 -9.499) 12.406 7.684 ( -6.789 -5.903 6.767) 11.258 7.885 ( 5.216 -5.566 -7.648) 10.802 8.318 ( -0.716 1.982 -0.633) 2.200 8.332 ( 2.197 1.231 1.499) 2.931 8.693 ( -1.554 1.172 -0.468) 2.002 8.700 ( -0.443 0.756 0.021) 0.877 12.228 ( -2.440 5.298 3.293) 6.698 12.307 ( 1.574 3.421 -3.193) 4.937 12.586 ( -1.354 -3.074 3.282) 4.696 12.644 ( -0.127 -4.090 -4.011) 5.730 12.922 ( -0.476 -0.645 0.224) 0.833 12.933 ( 0.504 -1.141 0.171) 1.259 13.121 ( -1.057 1.303 -0.743) 1.835 13.150 ( 1.555 0.167 -1.131) 1.930 13.937 ( -2.027 2.296 3.332) 4.526 13.995 ( 1.126 -0.316 -1.472) 1.881 ======================= Grid point 339 (181/192) ======================= q-point: (-0.33 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 2.061 2.366 0.586) 3.192 1.417 ( 4.728 -5.036 -0.003) 6.907 1.738 ( -0.828 4.987 0.269) 5.062 1.855 ( 1.281 0.277 1.548) 2.029 2.069 ( 0.680 2.080 -1.294) 2.542 2.100 ( 0.577 0.137 -1.383) 1.505 2.205 ( 0.596 -1.894 -0.733) 2.116 2.292 ( 3.342 -4.238 -0.053) 5.398 2.452 ( 1.462 3.693 -2.627) 4.762 2.498 ( 2.009 1.945 3.371) 4.379 3.432 ( -5.165 0.459 1.174) 5.317 3.565 ( -5.588 -4.915 -1.975) 7.700 3.778 ( 6.369 1.498 -4.375) 7.871 3.935 ( 5.463 -4.759 -2.547) 7.680 5.366 ( -6.894 4.573 5.639) 10.011 5.436 ( -5.243 2.438 8.302) 10.118 5.697 ( 4.431 5.440 -3.541) 7.859 5.770 ( 5.881 -0.815 -2.045) 6.280 7.349 ( -6.299 5.439 7.540) 11.230 7.566 ( -3.862 1.416 -4.024) 5.754 7.651 ( 1.197 -1.663 1.592) 2.595 7.898 ( 3.106 -7.170 -7.814) 11.051 8.338 ( 2.358 3.721 0.812) 4.480 8.398 ( 2.908 0.894 2.026) 3.655 8.641 ( -3.442 1.280 -0.690) 3.737 8.680 ( -1.824 -0.452 0.243) 1.895 12.205 ( -2.801 6.468 3.169) 7.728 12.311 ( 1.169 2.793 -2.379) 3.851 12.555 ( -3.560 -3.767 0.755) 5.238 12.601 ( -1.566 -5.220 -2.504) 5.998 12.917 ( -0.289 -0.521 0.195) 0.627 12.942 ( 0.122 -1.643 0.212) 1.661 13.107 ( 0.145 2.498 0.122) 2.505 13.177 ( 1.800 -0.266 0.132) 1.824 13.906 ( -2.802 2.839 0.933) 4.096 13.999 ( 0.271 -1.195 -1.501) 1.937 ======================= Grid point 340 (182/192) ======================= q-point: (-0.22 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 7.041 5.475 3.332) 9.521 1.489 ( 3.423 -0.957 0.330) 3.570 1.734 ( -0.298 3.277 -0.110) 3.293 1.864 ( -1.373 -1.908 -0.055) 2.352 2.075 ( 1.262 3.233 -0.910) 3.588 2.102 ( 0.948 0.844 -0.354) 1.318 2.224 ( 1.169 0.052 0.545) 1.291 2.333 ( 1.676 -2.204 -1.520) 3.159 2.482 ( 3.022 3.328 -0.599) 4.535 2.560 ( 1.938 1.037 2.936) 3.668 3.363 ( -2.468 -0.180 -0.370) 2.502 3.464 ( -3.337 -4.454 -2.632) 6.157 3.854 ( 5.447 2.303 -3.351) 6.798 3.993 ( 2.615 -3.020 -1.646) 4.321 5.323 ( -3.283 5.404 7.465) 9.783 5.423 ( -2.564 2.247 7.188) 7.955 5.739 ( 2.064 6.452 -2.031) 7.072 5.827 ( 2.922 -1.610 -4.405) 5.526 7.290 ( -6.205 4.057 6.978) 10.181 7.463 ( -4.810 -1.520 -0.900) 5.124 7.702 ( 3.204 -0.302 0.365) 3.239 7.891 ( 2.986 -7.001 -7.042) 10.369 8.387 ( 2.225 4.094 -0.358) 4.673 8.452 ( 1.137 1.925 1.709) 2.814 8.566 ( -3.709 0.630 -0.960) 3.883 8.642 ( -2.449 -1.623 0.067) 2.939 12.182 ( -2.394 7.219 3.258) 8.274 12.307 ( 0.450 2.887 -2.527) 3.863 12.491 ( -3.385 -4.749 0.231) 5.836 12.550 ( -2.197 -7.010 -1.504) 7.498 12.913 ( -0.339 -0.492 0.213) 0.634 12.936 ( -0.694 -1.672 -0.186) 1.820 13.132 ( 1.827 3.199 1.273) 3.897 13.215 ( 1.864 -0.137 0.742) 2.011 13.860 ( -2.599 2.902 0.126) 3.898 13.977 ( -0.988 -2.126 -2.511) 3.435 ======================= Grid point 341 (183/192) ======================= q-point: (-0.11 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 5.429 3.935 5.134) 8.445 1.565 ( 5.219 1.216 0.220) 5.363 1.711 ( -1.892 2.263 -0.771) 3.049 1.806 ( -3.574 -2.401 -2.314) 4.888 2.107 ( 2.456 3.732 -0.065) 4.469 2.133 ( 1.760 1.507 1.413) 2.714 2.239 ( -0.380 1.800 0.591) 1.932 2.327 ( -0.805 -0.656 -1.819) 2.095 2.543 ( 3.237 3.097 1.063) 4.605 2.604 ( 0.105 1.091 2.615) 2.835 3.341 ( 0.174 -0.720 -0.585) 0.944 3.406 ( 0.248 -3.494 -4.554) 5.746 3.921 ( 4.139 2.482 -1.901) 5.187 4.003 ( -0.081 -0.696 -1.299) 1.476 5.368 ( 0.383 4.895 9.974) 11.117 5.458 ( -1.656 3.016 10.396) 10.951 5.735 ( 1.185 5.871 -5.618) 8.212 5.799 ( -0.920 -0.790 -7.110) 7.212 7.248 ( -4.183 2.326 6.767) 8.288 7.385 ( -3.105 -2.633 -0.605) 4.116 7.764 ( 2.714 -0.556 1.056) 2.964 7.897 ( 3.413 -5.819 -6.395) 9.295 8.408 ( 0.870 3.752 -1.157) 4.021 8.448 ( -2.815 4.482 0.816) 5.355 8.522 ( -0.099 -1.767 -0.303) 1.796 8.594 ( -2.320 -2.081 -0.928) 3.252 12.175 ( -1.394 6.545 3.543) 7.572 12.287 ( -0.044 3.611 -3.287) 4.883 12.448 ( -2.168 -6.134 1.766) 6.742 12.505 ( -0.962 -7.258 -2.086) 7.613 12.908 ( -0.492 -0.510 0.378) 0.803 12.921 ( -0.489 -1.307 -0.464) 1.471 13.184 ( 2.322 3.147 1.778) 4.296 13.251 ( 1.431 0.555 0.315) 1.567 13.822 ( -1.903 2.037 0.952) 2.945 13.928 ( -1.581 -2.501 -3.437) 4.535 ======================= Grid point 342 (184/192) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 0.488 -2.512 1.510) 2.971 1.624 ( 0.488 2.512 1.510) 2.971 1.698 ( -0.567 -1.322 -1.827) 2.325 1.698 ( -0.567 1.322 -1.827) 2.325 2.185 ( 0.557 -0.487 0.860) 1.135 2.185 ( 0.557 0.487 0.860) 1.135 2.278 ( -1.097 -1.429 0.924) 2.025 2.278 ( -1.097 1.429 0.924) 2.025 2.621 ( -1.275 -0.882 2.183) 2.678 2.621 ( -1.275 0.882 2.183) 2.678 3.355 ( 3.490 -2.234 -5.211) 6.658 3.355 ( 3.490 2.234 -5.211) 6.658 3.987 ( 0.020 -1.026 -0.850) 1.333 3.987 ( 0.020 1.026 -0.850) 1.333 5.522 ( -1.939 -0.919 11.191) 11.395 5.522 ( -1.939 0.919 11.191) 11.395 5.739 ( 0.332 -1.727 -7.533) 7.735 5.739 ( 0.332 1.727 -7.533) 7.735 7.293 ( -0.994 -2.712 3.705) 4.698 7.293 ( -0.994 2.712 3.705) 4.698 7.821 ( 2.161 -2.748 -4.159) 5.433 7.821 ( 2.161 2.748 -4.159) 5.433 8.455 ( -2.484 -2.569 1.701) 3.957 8.455 ( -2.484 2.569 1.701) 3.957 8.520 ( 1.912 -2.920 -1.836) 3.944 8.520 ( 1.912 2.920 -1.836) 3.944 12.296 ( -1.943 -6.282 3.506) 7.452 12.296 ( -1.943 6.282 3.506) 7.452 12.371 ( 2.144 -5.794 -3.696) 7.199 12.371 ( 2.144 5.794 -3.696) 7.199 12.900 ( -0.127 -0.310 0.119) 0.356 12.900 ( -0.127 0.310 0.119) 0.356 13.273 ( 1.057 -0.814 0.139) 1.341 13.273 ( 1.057 0.814 0.139) 1.341 13.835 ( -1.066 -1.818 -0.274) 2.125 13.835 ( -1.066 1.818 -0.274) 2.125 ======================= Grid point 344 (185/192) ======================= q-point: ( 0.11 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -5.250 -0.696 -0.557) 5.325 1.565 ( -5.250 0.696 -0.557) 5.325 1.733 ( 2.952 -2.210 0.404) 3.710 1.733 ( 2.952 2.210 0.404) 3.710 2.161 ( -2.993 -2.115 0.307) 3.677 2.161 ( -2.993 2.115 0.307) 3.677 2.284 ( 0.310 -1.387 0.848) 1.655 2.284 ( 0.310 1.387 0.848) 1.655 2.589 ( -3.985 -2.555 2.299) 5.262 2.589 ( -3.985 2.555 2.299) 5.262 3.386 ( 5.043 -3.770 -6.586) 9.112 3.386 ( 5.043 3.770 -6.586) 9.112 3.959 ( -2.499 -3.294 -0.330) 4.148 3.959 ( -2.499 3.294 -0.330) 4.148 5.511 ( -6.400 -3.157 6.074) 9.372 5.511 ( -6.400 3.157 6.074) 9.372 5.736 ( 3.546 -5.138 -2.383) 6.682 5.736 ( 3.546 5.138 -2.383) 6.682 7.336 ( 2.573 -2.047 2.965) 4.427 7.336 ( 2.573 2.047 2.965) 4.427 7.801 ( -0.194 -2.556 -4.967) 5.589 7.801 ( -0.194 2.556 -4.967) 5.589 8.436 ( -1.442 -3.008 2.484) 4.159 8.436 ( -1.442 3.008 2.484) 4.159 8.559 ( 3.747 -3.466 -1.683) 5.375 8.559 ( 3.747 3.466 -1.683) 5.375 12.300 ( -0.719 -5.864 3.396) 6.815 12.300 ( -0.719 5.864 3.396) 6.815 12.393 ( 3.513 -6.483 -3.784) 8.287 12.393 ( 3.513 6.483 -3.784) 8.287 12.903 ( 0.238 -0.523 0.242) 0.624 12.903 ( 0.238 0.523 0.242) 0.624 13.272 ( -0.405 -0.697 -1.880) 2.045 13.272 ( -0.405 0.697 -1.880) 2.045 13.835 ( 0.449 -1.950 1.877) 2.744 13.835 ( 0.449 1.950 1.877) 2.744 ======================= Grid point 346 (186/192) ======================= q-point: ( 0.22 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -6.039 -2.790 -1.780) 6.886 1.452 ( -6.039 2.790 -1.780) 6.886 1.786 ( 2.138 -2.905 0.947) 3.729 1.786 ( 2.138 2.905 0.947) 3.729 2.110 ( -2.793 -2.500 1.161) 3.924 2.110 ( -2.793 2.500 1.161) 3.924 2.278 ( -1.125 -2.066 -1.054) 2.578 2.278 ( -1.125 2.066 -1.054) 2.578 2.528 ( -4.324 -3.805 2.392) 6.236 2.528 ( -4.324 3.805 2.392) 6.236 3.436 ( 6.224 -4.479 -6.383) 9.977 3.436 ( 6.224 4.479 -6.383) 9.977 3.895 ( -4.297 -4.914 0.024) 6.527 3.895 ( -4.297 4.914 0.024) 6.527 5.440 ( -4.977 -3.478 4.423) 7.512 5.440 ( -4.977 3.478 4.423) 7.512 5.782 ( 1.914 -4.742 -0.710) 5.163 5.782 ( 1.914 4.742 -0.710) 5.163 7.422 ( 3.793 -3.039 3.344) 5.900 7.422 ( 3.793 3.039 3.344) 5.900 7.748 ( -0.643 -3.196 -5.561) 6.446 7.748 ( -0.643 3.196 -5.561) 6.446 8.431 ( -1.241 -2.713 1.716) 3.442 8.431 ( -1.241 2.713 1.716) 3.442 8.620 ( 4.063 -2.956 -1.390) 5.213 8.620 ( 4.063 2.956 -1.390) 5.213 12.317 ( -0.221 -5.137 2.386) 5.668 12.317 ( -0.221 5.137 2.386) 5.668 12.439 ( 4.499 -6.574 -2.748) 8.427 12.439 ( 4.499 6.574 -2.748) 8.427 12.911 ( 0.311 -0.576 0.307) 0.723 12.911 ( 0.311 0.576 0.307) 0.723 13.235 ( -1.180 -1.699 -3.077) 3.708 13.235 ( -1.180 1.699 -3.077) 3.708 13.874 ( 1.370 -2.905 3.169) 4.512 13.874 ( 1.370 2.905 3.169) 4.512 ======================= Grid point 348 (187/192) ======================= q-point: ( 0.33 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -5.281 -4.878 -2.636) 7.657 1.328 ( -5.281 4.878 -2.636) 7.657 1.820 ( 0.876 -3.608 0.764) 3.791 1.820 ( 0.876 3.608 0.764) 3.791 2.083 ( -1.427 -2.124 1.257) 2.852 2.083 ( -1.427 2.124 1.257) 2.852 2.234 ( -1.810 -2.462 -2.086) 3.700 2.234 ( -1.810 2.462 -2.086) 3.700 2.484 ( -2.498 -4.091 2.416) 5.368 2.484 ( -2.498 4.091 2.416) 5.368 3.514 ( 7.406 -4.508 -5.014) 10.016 3.514 ( 7.406 4.508 -5.014) 10.016 3.808 ( -5.356 -5.258 0.104) 7.506 3.808 ( -5.356 5.258 0.104) 7.506 5.419 ( -2.187 -3.456 6.663) 7.819 5.419 ( -2.187 3.456 6.663) 7.819 5.780 ( -0.539 -3.889 -3.068) 4.983 5.780 ( -0.539 3.889 -3.068) 4.983 7.513 ( 1.613 -6.034 5.967) 8.639 7.513 ( 1.613 6.034 5.967) 8.639 7.705 ( 2.004 -5.599 -7.147) 9.298 7.705 ( 2.004 5.599 -7.147) 9.298 8.408 ( -2.241 -2.282 0.046) 3.198 8.408 ( -2.241 2.282 0.046) 3.198 8.676 ( 3.096 -1.819 -1.093) 3.753 8.676 ( 3.096 1.819 -1.093) 3.753 12.325 ( -0.388 -3.702 0.957) 3.843 12.325 ( -0.388 3.702 0.957) 3.843 12.507 ( 4.383 -5.318 -1.103) 6.979 12.507 ( 4.383 5.318 -1.103) 6.979 12.917 ( 0.035 -0.610 0.276) 0.671 12.917 ( 0.035 0.610 0.276) 0.671 13.190 ( -0.917 -1.789 -3.023) 3.631 13.190 ( -0.917 1.789 -3.023) 3.631 13.925 ( 1.253 -2.845 3.123) 4.407 13.925 ( 1.253 2.845 3.123) 4.407 ======================= Grid point 350 (188/192) ======================= q-point: ( 0.44 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -2.158 -3.390 -2.460) 4.711 1.236 ( -2.158 3.390 -2.460) 4.711 1.831 ( -0.220 -2.596 0.636) 2.682 1.831 ( -0.220 2.596 0.636) 2.682 2.075 ( -0.056 -1.411 0.163) 1.421 2.075 ( -0.056 1.411 0.163) 1.421 2.198 ( -0.472 -2.408 -1.560) 2.908 2.198 ( -0.472 2.408 -1.560) 2.908 2.473 ( -0.735 -3.027 1.831) 3.614 2.473 ( -0.735 3.027 1.831) 3.614 3.617 ( 7.109 -5.225 -3.459) 9.477 3.617 ( 7.109 5.225 -3.459) 9.477 3.707 ( -5.144 -4.119 -0.479) 6.607 3.707 ( -5.144 4.119 -0.479) 6.607 5.459 ( -1.284 -3.040 10.049) 10.577 5.459 ( -1.284 3.040 10.049) 10.577 5.723 ( -0.877 -2.994 -6.497) 7.207 5.723 ( -0.877 2.994 -6.497) 7.207 7.552 ( -3.532 -8.088 8.175) 12.030 7.552 ( -3.532 8.088 8.175) 12.030 7.721 ( 6.123 -7.197 -8.664) 12.821 7.721 ( 6.123 7.197 -8.664) 12.821 8.360 ( -2.180 -1.438 -0.675) 2.697 8.360 ( -2.180 1.438 -0.675) 2.697 8.709 ( 1.193 -0.774 -0.638) 1.559 8.709 ( 1.193 0.774 -0.638) 1.559 12.321 ( -0.633 -2.761 0.607) 2.897 12.321 ( -0.633 2.761 0.607) 2.897 12.566 ( 2.484 -3.643 -0.728) 4.469 12.566 ( 2.484 3.643 -0.728) 4.469 12.917 ( -0.154 -0.386 0.262) 0.491 12.917 ( -0.154 0.386 0.262) 0.491 13.158 ( -0.292 -0.940 -2.233) 2.440 13.158 ( -0.292 0.940 -2.233) 2.440 13.963 ( 0.484 -1.939 2.256) 3.014 13.963 ( 0.484 1.939 2.256) 3.014 ======================= Grid point 352 (189/192) ======================= q-point: (-0.44 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 2.532 -2.455 -1.281) 3.752 1.224 ( 2.532 2.455 -1.281) 3.752 1.829 ( -0.494 -1.080 0.887) 1.483 1.829 ( -0.494 1.080 0.887) 1.483 2.084 ( 1.221 -0.705 -0.901) 1.673 2.084 ( 1.221 0.705 -0.901) 1.673 2.190 ( 0.694 -0.708 -0.773) 1.257 2.190 ( 0.694 0.708 -0.773) 1.257 2.483 ( 0.624 -0.887 0.899) 1.409 2.483 ( 0.624 0.887 0.899) 1.409 3.584 ( -5.951 -4.822 -0.606) 7.684 3.584 ( -5.951 4.822 -0.606) 7.684 3.740 ( 7.313 -3.874 -3.330) 8.921 3.740 ( 7.313 3.874 -3.330) 8.921 5.486 ( -5.611 -0.528 9.681) 11.202 5.486 ( -5.611 0.528 9.681) 11.202 5.693 ( 4.303 -0.699 -5.906) 7.340 5.693 ( 4.303 0.699 -5.906) 7.340 7.532 ( -5.633 -7.530 8.214) 12.486 7.532 ( -5.633 7.530 8.214) 12.486 7.750 ( 4.559 -7.352 -9.637) 12.950 7.750 ( 4.559 7.352 -9.637) 12.950 8.344 ( 0.793 -0.342 0.885) 1.237 8.344 ( 0.793 0.342 0.885) 1.237 8.706 ( -1.186 -0.128 -0.317) 1.234 8.706 ( -1.186 0.128 -0.317) 1.234 12.314 ( -0.780 -2.700 1.114) 3.023 12.314 ( -0.780 2.700 1.114) 3.023 12.575 ( -0.529 -2.138 -1.542) 2.689 12.575 ( -0.529 2.138 -1.542) 2.689 12.917 ( -0.081 -0.260 0.306) 0.410 12.917 ( -0.081 0.260 0.306) 0.410 13.145 ( 0.344 -0.804 -1.038) 1.357 13.145 ( 0.344 0.804 -1.038) 1.357 13.976 ( -0.493 -1.549 1.000) 1.909 13.976 ( -0.493 1.549 1.000) 1.909 ======================= Grid point 354 (190/192) ======================= q-point: (-0.33 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 6.119 -5.770 -0.047) 8.410 1.301 ( 6.119 5.770 -0.047) 8.410 1.826 ( -0.716 -3.261 0.600) 3.392 1.826 ( -0.716 3.261 0.600) 3.392 2.096 ( 0.749 -0.584 -0.617) 1.132 2.096 ( 0.749 0.584 -0.617) 1.132 2.216 ( 2.568 -2.823 -0.144) 3.819 2.216 ( 2.568 2.823 -0.144) 3.819 2.509 ( 1.769 -1.258 0.198) 2.180 2.509 ( 1.769 1.258 0.198) 2.180 3.473 ( -5.119 -3.644 -1.356) 6.428 3.473 ( -5.119 3.644 -1.356) 6.428 3.840 ( 6.301 -4.364 -2.884) 8.189 3.840 ( 6.301 4.364 -2.884) 8.189 5.435 ( -5.455 -2.143 5.910) 8.323 5.435 ( -5.455 2.143 5.910) 8.323 5.759 ( 4.934 -1.084 -1.939) 5.411 5.759 ( 4.934 1.084 -1.939) 5.411 7.476 ( -7.471 -6.800 7.521) 12.594 7.476 ( -7.471 6.800 7.521) 12.594 7.745 ( 3.789 -7.506 -9.064) 12.363 7.745 ( 3.789 7.506 -9.064) 12.363 8.394 ( 2.915 -1.542 1.604) 3.667 8.394 ( 2.915 1.542 1.604) 3.667 8.664 ( -3.118 -1.036 -0.061) 3.286 8.664 ( -3.118 1.036 -0.061) 3.286 12.311 ( -0.892 -3.330 1.896) 3.934 12.311 ( -0.892 3.330 1.896) 3.934 12.525 ( -2.918 -1.598 -2.506) 4.165 12.525 ( -2.918 1.598 -2.506) 4.165 12.918 ( -0.163 -0.663 0.252) 0.728 12.918 ( -0.163 0.663 0.252) 0.728 13.155 ( 1.152 -1.962 0.258) 2.290 13.155 ( 1.152 1.962 0.258) 2.290 13.961 ( -1.409 -2.484 -0.349) 2.877 13.961 ( -1.409 2.484 -0.349) 2.877 ======================= Grid point 356 (191/192) ======================= q-point: (-0.22 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 6.960 -4.731 0.578) 8.436 1.426 ( 6.960 4.731 0.578) 8.436 1.805 ( -1.697 -3.571 -0.594) 3.998 1.805 ( -1.697 3.571 -0.594) 3.998 2.109 ( 0.841 -0.407 0.915) 1.307 2.109 ( 0.841 0.407 0.915) 1.307 2.267 ( 2.457 -3.596 0.176) 4.359 2.267 ( 2.457 3.596 0.176) 4.359 2.551 ( 2.601 -2.321 0.378) 3.506 2.551 ( 2.601 2.321 0.378) 3.506 3.387 ( -2.621 -2.711 -2.096) 4.314 3.387 ( -2.621 2.711 -2.096) 4.314 3.920 ( 4.707 -3.911 -2.279) 6.530 3.920 ( 4.707 3.911 -2.279) 6.530 5.410 ( -2.556 -3.005 6.861) 7.914 5.410 ( -2.556 3.005 6.861) 7.914 5.810 ( 2.452 -1.176 -2.971) 4.028 5.810 ( 2.452 1.176 -2.971) 4.028 7.390 ( -7.444 -5.239 5.857) 10.824 7.390 ( -7.444 5.239 5.857) 10.824 7.758 ( 4.278 -5.506 -6.080) 9.252 7.758 ( 4.278 5.506 -6.080) 9.252 8.451 ( 2.214 -1.987 0.254) 2.986 8.451 ( 2.214 1.987 0.254) 2.986 8.599 ( -3.922 -2.380 0.234) 4.594 8.599 ( -3.922 2.380 0.234) 4.594 12.311 ( -1.153 -4.383 2.638) 5.243 12.311 ( -1.153 4.383 2.638) 5.243 12.445 ( -3.088 -2.166 -3.021) 4.832 12.445 ( -3.088 2.166 -3.021) 4.832 12.914 ( -0.443 -0.574 0.105) 0.732 12.914 ( -0.443 0.574 0.105) 0.732 13.190 ( 1.900 -2.308 1.217) 3.228 13.190 ( 1.900 2.308 1.217) 3.228 13.922 ( -2.022 -3.141 -1.397) 3.988 13.922 ( -2.022 3.141 -1.397) 3.988 ======================= Grid point 358 (192/192) ======================= q-point: (-0.11 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 5.488 -2.632 0.926) 6.157 1.547 ( 5.488 2.632 0.926) 6.157 1.755 ( -2.756 -2.363 -1.495) 3.926 1.755 ( -2.756 2.363 -1.495) 3.926 2.145 ( 1.793 -0.435 1.813) 2.587 2.145 ( 1.793 0.435 1.813) 2.587 2.291 ( -0.057 -2.776 0.172) 2.782 2.291 ( -0.057 2.776 0.172) 2.782 2.601 ( 1.696 -1.795 1.394) 2.836 2.601 ( 1.696 1.795 1.394) 2.836 3.349 ( 0.732 -1.784 -3.332) 3.850 3.349 ( 0.732 1.784 -3.332) 3.850 3.972 ( 2.610 -2.316 -1.533) 3.811 3.972 ( 2.610 2.316 -1.533) 3.811 5.451 ( -0.400 -2.991 9.384) 9.858 5.451 ( -0.400 2.991 9.384) 9.858 5.797 ( 0.046 -0.676 -5.662) 5.703 5.797 ( 0.046 0.676 -5.662) 5.703 7.315 ( -5.008 -3.994 4.721) 7.957 7.315 ( -5.008 3.994 4.721) 7.957 7.795 ( 3.974 -3.715 -4.207) 6.877 7.795 ( 3.974 3.715 -4.207) 6.877 8.475 ( 0.467 -2.858 -0.548) 2.947 8.475 ( 0.467 2.858 -0.548) 2.947 8.534 ( -2.877 -3.803 -0.022) 4.769 8.534 ( -2.877 3.803 -0.022) 4.769 12.308 ( -1.994 -6.066 3.433) 7.250 12.308 ( -1.994 6.066 3.433) 7.250 12.382 ( -0.558 -4.306 -3.560) 5.615 12.382 ( -0.558 4.306 -3.560) 5.615 12.905 ( -0.455 -0.315 0.045) 0.555 12.905 ( -0.455 0.315 0.045) 0.555 13.237 ( 1.976 -1.895 1.339) 3.048 13.237 ( 1.976 1.895 1.339) 3.048 13.872 ( -2.005 -2.872 -1.555) 3.832 13.872 ( -2.005 2.872 -1.555) 3.832 =================== 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 3/22680 10.0 178.147 112.499 142.314 0.000 -9.711 0.000 3/22680 20.0 32.818 22.457 24.798 0.000 -2.266 0.000 3/22680 30.0 16.732 11.506 12.294 0.000 -1.105 0.000 3/22680 40.0 10.952 7.603 8.196 0.000 -0.824 0.000 3/22680 50.0 8.124 5.700 6.318 0.000 -0.738 0.000 3/22680 60.0 6.476 4.591 5.251 0.000 -0.696 0.000 3/22680 70.0 5.397 3.864 4.543 0.000 -0.660 0.000 3/22680 80.0 4.634 3.349 4.024 0.000 -0.623 0.000 3/22680 90.0 4.065 2.964 3.618 0.000 -0.587 0.000 3/22680 100.0 3.623 2.666 3.291 0.000 -0.552 0.000 3/22680 110.0 3.269 2.428 3.019 0.000 -0.519 0.000 3/22680 120.0 2.980 2.232 2.790 0.000 -0.489 0.000 3/22680 130.0 2.738 2.069 2.593 0.000 -0.461 0.000 3/22680 140.0 2.534 1.931 2.423 0.000 -0.436 0.000 3/22680 150.0 2.358 1.811 2.275 0.000 -0.413 0.000 3/22680 160.0 2.206 1.707 2.143 0.000 -0.392 0.000 3/22680 170.0 2.072 1.615 2.027 0.000 -0.373 0.000 3/22680 180.0 1.954 1.533 1.922 0.000 -0.356 0.000 3/22680 190.0 1.849 1.459 1.828 0.000 -0.340 0.000 3/22680 200.0 1.755 1.392 1.743 0.000 -0.325 0.000 3/22680 210.0 1.670 1.332 1.665 0.000 -0.312 0.000 3/22680 220.0 1.593 1.277 1.595 0.000 -0.299 0.000 3/22680 230.0 1.523 1.226 1.529 0.000 -0.288 0.000 3/22680 240.0 1.458 1.179 1.469 0.000 -0.277 0.000 3/22680 250.0 1.399 1.135 1.414 0.000 -0.267 0.000 3/22680 260.0 1.345 1.095 1.362 0.000 -0.258 0.000 3/22680 270.0 1.295 1.058 1.314 0.000 -0.249 0.000 3/22680 280.0 1.248 1.023 1.270 0.000 -0.241 0.000 3/22680 290.0 1.205 0.990 1.228 0.000 -0.233 0.000 3/22680 300.0 1.165 0.959 1.189 0.000 -0.226 0.000 3/22680 310.0 1.127 0.930 1.152 0.000 -0.219 0.000 3/22680 320.0 1.092 0.903 1.118 0.000 -0.213 0.000 3/22680 330.0 1.058 0.877 1.085 0.000 -0.207 0.000 3/22680 340.0 1.027 0.853 1.055 0.000 -0.201 0.000 3/22680 350.0 0.998 0.830 1.026 0.000 -0.196 0.000 3/22680 360.0 0.970 0.808 0.998 0.000 -0.191 0.000 3/22680 370.0 0.944 0.787 0.972 0.000 -0.186 0.000 3/22680 380.0 0.919 0.767 0.947 0.000 -0.181 0.000 3/22680 390.0 0.895 0.749 0.924 0.000 -0.177 0.000 3/22680 400.0 0.873 0.731 0.901 0.000 -0.173 0.000 3/22680 410.0 0.851 0.714 0.880 0.000 -0.169 0.000 3/22680 420.0 0.831 0.698 0.860 0.000 -0.165 0.000 3/22680 430.0 0.812 0.682 0.840 0.000 -0.161 0.000 3/22680 440.0 0.793 0.667 0.822 0.000 -0.158 0.000 3/22680 450.0 0.776 0.653 0.804 0.000 -0.154 0.000 3/22680 460.0 0.759 0.639 0.787 0.000 -0.151 0.000 3/22680 470.0 0.743 0.626 0.770 0.000 -0.148 0.000 3/22680 480.0 0.727 0.613 0.755 0.000 -0.145 0.000 3/22680 490.0 0.712 0.601 0.740 0.000 -0.142 0.000 3/22680 500.0 0.698 0.590 0.725 0.000 -0.140 0.000 3/22680 510.0 0.684 0.578 0.711 0.000 -0.137 0.000 3/22680 520.0 0.671 0.568 0.698 0.000 -0.134 0.000 3/22680 530.0 0.659 0.557 0.685 0.000 -0.132 0.000 3/22680 540.0 0.646 0.547 0.672 0.000 -0.129 0.000 3/22680 550.0 0.635 0.538 0.660 0.000 -0.127 0.000 3/22680 560.0 0.623 0.528 0.649 0.000 -0.125 0.000 3/22680 570.0 0.612 0.519 0.638 0.000 -0.123 0.000 3/22680 580.0 0.602 0.510 0.627 0.000 -0.121 0.000 3/22680 590.0 0.592 0.502 0.616 0.000 -0.119 0.000 3/22680 600.0 0.582 0.494 0.606 0.000 -0.117 0.000 3/22680 610.0 0.572 0.486 0.596 0.000 -0.115 0.000 3/22680 620.0 0.563 0.478 0.587 0.000 -0.113 0.000 3/22680 630.0 0.554 0.471 0.578 0.000 -0.111 0.000 3/22680 640.0 0.545 0.464 0.569 0.000 -0.110 0.000 3/22680 650.0 0.537 0.457 0.560 0.000 -0.108 0.000 3/22680 660.0 0.529 0.450 0.552 0.000 -0.106 0.000 3/22680 670.0 0.521 0.443 0.544 0.000 -0.105 0.000 3/22680 680.0 0.513 0.437 0.536 0.000 -0.103 0.000 3/22680 690.0 0.506 0.431 0.528 0.000 -0.102 0.000 3/22680 700.0 0.499 0.425 0.521 0.000 -0.100 0.000 3/22680 710.0 0.492 0.419 0.513 0.000 -0.099 0.000 3/22680 720.0 0.485 0.413 0.506 0.000 -0.098 0.000 3/22680 730.0 0.478 0.407 0.500 0.000 -0.096 0.000 3/22680 740.0 0.472 0.402 0.493 0.000 -0.095 0.000 3/22680 750.0 0.465 0.397 0.486 0.000 -0.094 0.000 3/22680 760.0 0.459 0.392 0.480 0.000 -0.093 0.000 3/22680 770.0 0.453 0.387 0.474 0.000 -0.091 0.000 3/22680 780.0 0.447 0.382 0.468 0.000 -0.090 0.000 3/22680 790.0 0.442 0.377 0.462 0.000 -0.089 0.000 3/22680 800.0 0.436 0.372 0.456 0.000 -0.088 0.000 3/22680 810.0 0.431 0.368 0.451 0.000 -0.087 0.000 3/22680 820.0 0.426 0.363 0.445 0.000 -0.086 0.000 3/22680 830.0 0.421 0.359 0.440 0.000 -0.085 0.000 3/22680 840.0 0.416 0.355 0.435 0.000 -0.084 0.000 3/22680 850.0 0.411 0.351 0.430 0.000 -0.083 0.000 3/22680 860.0 0.406 0.347 0.425 0.000 -0.082 0.000 3/22680 870.0 0.401 0.343 0.420 0.000 -0.081 0.000 3/22680 880.0 0.397 0.339 0.415 0.000 -0.080 0.000 3/22680 890.0 0.392 0.335 0.410 0.000 -0.079 0.000 3/22680 900.0 0.388 0.331 0.406 0.000 -0.078 0.000 3/22680 910.0 0.384 0.328 0.402 0.000 -0.078 0.000 3/22680 920.0 0.379 0.324 0.397 0.000 -0.077 0.000 3/22680 930.0 0.375 0.321 0.393 0.000 -0.076 0.000 3/22680 940.0 0.371 0.318 0.389 0.000 -0.075 0.000 3/22680 950.0 0.367 0.314 0.385 0.000 -0.074 0.000 3/22680 960.0 0.364 0.311 0.381 0.000 -0.074 0.000 3/22680 970.0 0.360 0.308 0.377 0.000 -0.073 0.000 3/22680 980.0 0.356 0.305 0.373 0.000 -0.072 0.000 3/22680 990.0 0.353 0.302 0.369 0.000 -0.071 0.000 3/22680 1000.0 0.349 0.299 0.366 0.000 -0.071 0.000 3/22680 Thermal conductivity related properties were written into "kappa-m9107.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:50:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|